NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3967 | 1eh2 | 4184 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA PRO 6 HA PRO 6 -13.978 -2.367 -2.367 2 1HB PRO 6 2HB PRO 6 -11.448 -3.339 -3.339 3 2HB PRO 6 1HB PRO 6 -12.732 -3.567 -3.567 4 1HG PRO 6 2HG PRO 6 -11.657 -5.476 -5.476 5 2HG PRO 6 1HG PRO 6 -12.249 -5.771 -5.771 6 1HD PRO 6 2HD PRO 6 -13.682 -6.280 -6.280 7 2HD PRO 6 1HD PRO 6 -14.399 -6.032 -6.032 8 H TRP 7 H TRP 7 -11.422 -1.671 -1.671 9 HA TRP 7 HA TRP 7 -11.678 -1.034 -1.034 10 1HB TRP 7 2HB TRP 7 -10.698 0.445 0.445 11 2HB TRP 7 1HB TRP 7 -9.407 -0.725 -0.725 12 HD1 TRP 7 HD1 TRP 7 -10.560 -0.257 -0.257 13 HE1 TRP 7 HE1 TRP 7 -8.740 0.975 0.975 14 HE3 TRP 7 HE3 TRP 7 -7.443 1.126 1.126 15 HZ2 TRP 7 HZ2 TRP 7 -6.284 2.367 2.367 16 HZ3 TRP 7 HZ3 TRP 7 -5.373 2.404 2.404 17 HH2 TRP 7 HH2 TRP 7 -4.790 3.025 3.025 18 H ALA 8 H ALA 8 -10.850 -2.192 -2.192 19 HA ALA 8 HA ALA 8 -9.925 -4.799 -4.799 20 1HB ALA 8 2HB ALA 8 -10.549 -3.381 -3.381 21 2HB ALA 8 1HB ALA 8 -8.970 -2.603 -2.603 22 3HB ALA 8 3HB ALA 8 -9.081 -4.323 -4.323 23 H VAL 9 H VAL 9 -8.089 -1.885 -1.885 24 HA VAL 9 HA VAL 9 -5.514 -3.344 -3.344 25 HB VAL 9 HB VAL 9 -6.452 -0.510 -0.510 26 1HG1 VAL 9 2HG1 VAL 9 -3.814 -1.749 -1.749 27 2HG1 VAL 9 1HG1 VAL 9 -3.862 -0.089 -0.089 28 3HG1 VAL 9 3HG1 VAL 9 -4.743 -0.528 -0.528 29 1HG2 VAL 9 1HG2 VAL 9 -4.673 -1.947 -1.947 30 2HG2 VAL 9 3HG2 VAL 9 -6.206 -1.132 -1.132 31 3HG2 VAL 9 2HG2 VAL 9 -4.773 -0.188 -0.188 32 H LYS 10 H LYS 10 -4.495 -4.050 -4.050 33 HA LYS 10 HA LYS 10 -6.024 -3.945 -3.945 34 1HB LYS 10 2HB LYS 10 -3.518 -5.393 -5.393 35 2HB LYS 10 1HB LYS 10 -4.311 -5.668 -5.668 36 1HG LYS 10 2HG LYS 10 -6.398 -5.892 -5.892 37 2HG LYS 10 1HG LYS 10 -5.047 -6.633 -6.633 38 1HD LYS 10 2HD LYS 10 -4.626 -7.802 -7.802 39 2HD LYS 10 1HD LYS 10 -6.343 -7.465 -7.465 40 1HE LYS 10 2HE LYS 10 -6.256 -8.470 -8.470 41 2HE LYS 10 1HE LYS 10 -5.065 -9.463 -9.463 42 1HZ LYS 10 2HZ LYS 10 -7.693 -8.812 -8.812 43 2HZ LYS 10 1HZ LYS 10 -7.495 -10.163 -10.163 44 3HZ LYS 10 3HZ LYS 10 -6.615 -10.052 -10.052 45 HA PRO 11 HA PRO 11 -3.411 -1.010 -1.010 46 1HB PRO 11 2HB PRO 11 -2.761 -2.208 -2.208 47 2HB PRO 11 1HB PRO 11 -4.361 -1.512 -1.512 48 1HG PRO 11 2HG PRO 11 -3.466 -4.358 -4.358 49 2HG PRO 11 1HG PRO 11 -4.967 -3.682 -3.682 50 1HD PRO 11 2HD PRO 11 -4.888 -4.829 -4.829 51 2HD PRO 11 1HD PRO 11 -5.932 -3.433 -3.433 52 H GLU 12 H GLU 12 -2.216 -4.341 -4.341 53 HA GLU 12 HA GLU 12 0.583 -3.634 -3.634 54 1HB GLU 12 2HB GLU 12 0.910 -6.005 -6.005 55 2HB GLU 12 1HB GLU 12 -0.462 -5.848 -5.848 56 1HG GLU 12 2HG GLU 12 -1.397 -7.214 -7.214 57 2HG GLU 12 1HG GLU 12 -1.820 -5.630 -5.630 58 H ASP 13 H ASP 13 -1.621 -3.809 -3.809 59 HA ASP 13 HA ASP 13 0.498 -3.783 -3.783 60 1HB ASP 13 2HB ASP 13 -2.375 -4.174 -4.174 61 2HB ASP 13 1HB ASP 13 -2.005 -3.040 -3.040 62 H LYS 14 H LYS 14 -1.794 -1.553 -1.553 63 HA LYS 14 HA LYS 14 -1.165 0.738 0.738 64 1HB LYS 14 2HB LYS 14 -3.202 0.593 0.593 65 2HB LYS 14 1HB LYS 14 -2.285 0.372 0.372 66 1HG LYS 14 2HG LYS 14 -2.860 2.657 2.657 67 2HG LYS 14 1HG LYS 14 -1.210 2.661 2.661 68 1HD LYS 14 2HD LYS 14 -2.888 2.327 2.327 69 2HD LYS 14 1HD LYS 14 -3.623 3.603 3.603 70 1HE LYS 14 2HE LYS 14 -0.681 3.552 3.552 71 2HE LYS 14 1HE LYS 14 -1.921 4.488 4.488 72 1HZ LYS 14 1HZ LYS 14 -1.920 4.706 4.706 73 2HZ LYS 14 3HZ LYS 14 -0.609 5.435 5.435 74 3HZ LYS 14 2HZ LYS 14 -2.197 5.897 5.897 75 H ALA 15 H ALA 15 0.486 -0.899 -0.899 76 HA ALA 15 HA ALA 15 2.071 1.405 1.405 77 1HB ALA 15 3HB ALA 15 1.439 -1.204 -1.204 78 2HB ALA 15 2HB ALA 15 3.172 -1.235 -1.235 79 3HB ALA 15 1HB ALA 15 2.508 -0.060 -0.060 80 H LYS 16 H LYS 16 2.499 -1.410 -1.410 81 HA LYS 16 HA LYS 16 5.231 -0.640 -0.640 82 1HB LYS 16 2HB LYS 16 5.213 -2.668 -2.668 83 2HB LYS 16 1HB LYS 16 4.001 -2.973 -2.973 84 1HG LYS 16 2HG LYS 16 2.321 -2.036 -2.036 85 2HG LYS 16 1HG LYS 16 3.591 -2.333 -2.333 86 1HD LYS 16 2HD LYS 16 2.785 -4.488 -4.488 87 2HD LYS 16 1HD LYS 16 1.855 -4.229 -4.229 88 1HE LYS 16 2HE LYS 16 3.624 -4.872 -4.872 89 2HE LYS 16 1HE LYS 16 4.853 -4.472 -4.472 90 1HZ LYS 16 3HZ LYS 16 3.931 -6.257 -6.257 91 2HZ LYS 16 2HZ LYS 16 2.882 -6.694 -6.694 92 3HZ LYS 16 1HZ LYS 16 4.563 -6.847 -6.847 93 H TYR 17 H TYR 17 1.987 -0.002 -0.002 94 HA TYR 17 HA TYR 17 2.649 0.989 0.989 95 1HB TYR 17 2HB TYR 17 0.287 1.369 1.369 96 2HB TYR 17 1HB TYR 17 0.306 1.911 1.911 97 HD1 TYR 17 HD1 TYR 17 2.236 -1.026 -1.026 98 HD2 TYR 17 HD2 TYR 17 -1.842 0.325 0.325 99 HE1 TYR 17 HE1 TYR 17 1.495 -3.274 -3.274 100 HE2 TYR 17 HE2 TYR 17 -2.587 -1.925 -1.925 101 HH TYR 17 HH TYR 17 -0.381 -4.643 -4.643 102 H ASP 18 H ASP 18 2.245 2.290 2.290 103 HA ASP 18 HA ASP 18 2.505 5.092 5.092 104 1HB ASP 18 2HB ASP 18 1.319 4.071 4.071 105 2HB ASP 18 1HB ASP 18 2.917 3.792 3.792 106 H ALA 19 H ALA 19 4.718 2.517 2.517 107 HA ALA 19 HA ALA 19 6.999 4.312 4.312 108 1HB ALA 19 2HB ALA 19 6.315 1.458 1.458 109 2HB ALA 19 1HB ALA 19 7.921 1.733 1.733 110 3HB ALA 19 3HB ALA 19 7.517 2.358 2.358 111 H ILE 20 H ILE 20 5.579 2.375 2.375 112 HA ILE 20 HA ILE 20 7.692 2.791 2.791 113 HB ILE 20 HB ILE 20 4.838 1.785 1.785 114 1HG1 ILE 20 2HG1 ILE 20 7.270 0.302 0.302 115 2HG1 ILE 20 1HG1 ILE 20 6.961 0.459 0.459 116 1HG2 ILE 20 3HG2 ILE 20 5.242 3.001 3.001 117 2HG2 ILE 20 2HG2 ILE 20 6.599 1.924 1.924 118 3HG2 ILE 20 1HG2 ILE 20 4.961 1.277 1.277 119 1HD1 ILE 20 3HD1 ILE 20 4.490 -0.240 -0.240 120 2HD1 ILE 20 2HD1 ILE 20 5.708 -1.314 -1.314 121 3HD1 ILE 20 1HD1 ILE 20 5.490 -1.237 -1.237 122 H PHE 21 H PHE 21 4.674 4.274 4.274 123 HA PHE 21 HA PHE 21 4.371 6.110 6.110 124 1HB PHE 21 2HB PHE 21 2.425 5.862 5.862 125 2HB PHE 21 1HB PHE 21 3.292 5.628 5.628 126 HD1 PHE 21 HD2 PHE 21 4.403 7.665 7.665 127 HD2 PHE 21 HD1 PHE 21 1.509 7.973 7.973 128 HE1 PHE 21 HE2 PHE 21 3.996 10.033 10.033 129 HE2 PHE 21 HE1 PHE 21 1.099 10.342 10.342 130 HZ PHE 21 HZ PHE 21 2.345 11.371 11.371 131 H ASP 22 H ASP 22 5.988 6.228 6.228 132 HA ASP 22 HA ASP 22 6.892 9.007 9.007 133 1HB ASP 22 2HB ASP 22 6.169 8.345 8.345 134 2HB ASP 22 1HB ASP 22 7.234 6.936 6.936 135 H SER 23 H SER 23 7.867 6.067 6.067 136 HA SER 23 HA SER 23 10.789 6.516 6.516 137 1HB SER 23 2HB SER 23 10.654 4.250 4.250 138 2HB SER 23 1HB SER 23 8.955 4.325 4.325 139 HG SER 23 HG SER 23 10.573 3.340 3.340 140 H LEU 24 H LEU 24 8.361 7.666 7.666 141 HA LEU 24 HA LEU 24 10.038 7.884 7.884 142 1HB LEU 24 2HB LEU 24 7.164 8.618 8.618 143 2HB LEU 24 1HB LEU 24 8.079 7.658 7.658 144 HG LEU 24 HG LEU 24 7.188 6.665 6.665 145 1HD1 LEU 24 2HD1 LEU 24 5.610 7.139 7.139 146 2HD1 LEU 24 1HD1 LEU 24 5.958 5.411 5.411 147 3HD1 LEU 24 3HD1 LEU 24 5.190 6.115 6.115 148 1HD2 LEU 24 1HD2 LEU 24 8.732 5.543 5.543 149 2HD2 LEU 24 3HD2 LEU 24 8.915 5.242 5.242 150 3HD2 LEU 24 2HD2 LEU 24 7.614 4.462 4.462 151 H SER 25 H SER 25 9.093 9.512 9.512 152 HA SER 25 HA SER 25 9.508 11.786 11.786 153 1HB SER 25 2HB SER 25 9.564 12.536 12.536 154 2HB SER 25 1HB SER 25 10.485 13.212 13.212 155 HG SER 25 HG SER 25 11.215 11.321 11.321 156 HA PRO 26 HA PRO 26 5.061 12.208 12.208 157 1HB PRO 26 2HB PRO 26 4.385 12.737 12.737 158 2HB PRO 26 1HB PRO 26 4.593 11.088 11.088 159 1HG PRO 26 2HG PRO 26 6.436 12.738 12.738 160 2HG PRO 26 1HG PRO 26 6.131 10.996 10.996 161 1HD PRO 26 2HD PRO 26 8.320 12.158 12.158 162 2HD PRO 26 1HD PRO 26 7.677 10.557 10.557 163 H VAL 27 H VAL 27 3.831 14.128 14.128 164 HA VAL 27 HA VAL 27 5.295 16.630 16.630 165 HB VAL 27 HB VAL 27 3.380 16.028 16.028 166 1HG1 VAL 27 1HG1 VAL 27 3.538 18.424 18.424 167 2HG1 VAL 27 3HG1 VAL 27 5.037 18.517 18.517 168 3HG1 VAL 27 2HG1 VAL 27 3.503 18.259 18.259 169 1HG2 VAL 27 2HG2 VAL 27 6.175 15.586 15.586 170 2HG2 VAL 27 1HG2 VAL 27 5.212 15.417 15.417 171 3HG2 VAL 27 3HG2 VAL 27 5.986 16.956 16.956 172 H ASN 28 H ASN 28 4.254 16.949 16.949 173 HA ASN 28 HA ASN 28 2.506 17.607 17.607 174 1HB ASN 28 2HB ASN 28 2.309 19.400 19.400 175 2HB ASN 28 1HB ASN 28 1.403 18.356 18.356 176 1HD2 ASN 28 1HD2 ASN 28 -0.857 18.089 18.089 177 2HD2 ASN 28 2HD2 ASN 28 -1.684 18.873 18.873 178 H GLY 29 H GLY 29 2.521 14.868 14.868 179 1HA GLY 29 2HA GLY 29 1.086 13.033 13.033 180 2HA GLY 29 1HA GLY 29 -0.275 14.156 14.156 181 H PHE 30 H PHE 30 2.090 13.968 13.968 182 HA PHE 30 HA PHE 30 0.188 12.455 12.455 183 1HB PHE 30 2HB PHE 30 1.106 15.311 15.311 184 2HB PHE 30 1HB PHE 30 0.345 14.349 14.349 185 HD1 PHE 30 HD2 PHE 30 -1.964 13.472 13.472 186 HD2 PHE 30 HD1 PHE 30 -0.166 16.243 16.243 187 HE1 PHE 30 HE2 PHE 30 -4.205 14.011 14.011 188 HE2 PHE 30 HE1 PHE 30 -2.393 16.779 16.779 189 HZ PHE 30 HZ PHE 30 -4.421 15.667 15.667 190 H LEU 31 H LEU 31 1.153 11.786 11.786 191 HA LEU 31 HA LEU 31 4.122 12.115 12.115 192 1HB LEU 31 2HB LEU 31 2.463 9.582 9.582 193 2HB LEU 31 1HB LEU 31 4.094 9.642 9.642 194 HG LEU 31 HG LEU 31 3.522 10.612 10.612 195 1HD1 LEU 31 3HD1 LEU 31 2.853 8.119 8.119 196 2HD1 LEU 31 2HD1 LEU 31 4.597 7.866 7.866 197 3HD1 LEU 31 1HD1 LEU 31 3.765 8.477 8.477 198 1HD2 LEU 31 2HD2 LEU 31 5.895 9.988 9.988 199 2HD2 LEU 31 1HD2 LEU 31 5.674 11.267 11.267 200 3HD2 LEU 31 3HD2 LEU 31 6.018 9.618 9.618 201 H SER 32 H SER 32 4.708 12.608 12.608 202 HA SER 32 HA SER 32 2.626 12.868 12.868 203 1HB SER 32 2HB SER 32 4.234 14.134 14.134 204 2HB SER 32 1HB SER 32 4.710 14.353 14.353 205 HG SER 32 HG SER 32 6.470 13.765 13.765 206 H GLY 33 H GLY 33 2.339 11.600 11.600 207 1HA GLY 33 2HA GLY 33 2.929 8.902 8.902 208 2HA GLY 33 1HA GLY 33 2.737 9.848 9.848 209 H ASP 34 H ASP 34 5.106 11.550 11.550 210 HA ASP 34 HA ASP 34 7.130 10.134 10.134 211 1HB ASP 34 2HB ASP 34 6.768 12.640 12.640 212 2HB ASP 34 1HB ASP 34 7.571 12.358 12.358 213 H LYS 35 H LYS 35 6.139 9.924 9.924 214 HA LYS 35 HA LYS 35 8.720 8.616 8.616 215 1HB LYS 35 2HB LYS 35 6.423 9.401 9.401 216 2HB LYS 35 1HB LYS 35 8.121 9.195 9.195 217 1HG LYS 35 2HG LYS 35 8.683 11.145 11.145 218 2HG LYS 35 1HG LYS 35 6.959 11.382 11.382 219 1HD LYS 35 2HD LYS 35 6.871 11.282 11.282 220 2HD LYS 35 1HD LYS 35 8.536 11.842 11.842 221 1HE LYS 35 2HE LYS 35 6.396 13.208 13.208 222 2HE LYS 35 1HE LYS 35 6.571 13.606 13.606 223 1HZ LYS 35 3HZ LYS 35 9.045 13.738 13.738 224 2HZ LYS 35 2HZ LYS 35 8.598 13.812 13.812 225 3HZ LYS 35 1HZ LYS 35 8.079 15.016 15.016 226 H VAL 36 H VAL 36 5.202 8.254 8.254 227 HA VAL 36 HA VAL 36 5.247 5.549 5.549 228 HB VAL 36 HB VAL 36 3.162 7.122 7.122 229 1HG1 VAL 36 3HG1 VAL 36 2.876 4.606 4.606 230 2HG1 VAL 36 2HG1 VAL 36 2.769 4.794 4.794 231 3HG1 VAL 36 1HG1 VAL 36 1.565 5.549 5.549 232 1HG2 VAL 36 3HG2 VAL 36 4.052 7.074 7.074 233 2HG2 VAL 36 2HG2 VAL 36 3.447 8.420 8.420 234 3HG2 VAL 36 1HG2 VAL 36 2.323 7.225 7.225 235 H LYS 37 H LYS 37 5.103 7.019 7.019 236 HA LYS 37 HA LYS 37 4.385 4.833 4.833 237 1HB LYS 37 2HB LYS 37 4.720 6.956 6.956 238 2HB LYS 37 1HB LYS 37 6.359 7.091 7.091 239 1HG LYS 37 2HG LYS 37 7.104 5.260 5.260 240 2HG LYS 37 1HG LYS 37 5.458 5.035 5.035 241 1HD LYS 37 2HD LYS 37 5.716 7.642 7.642 242 2HD LYS 37 1HD LYS 37 7.422 7.196 7.196 243 1HE LYS 37 2HE LYS 37 6.527 6.908 6.908 244 2HE LYS 37 1HE LYS 37 6.735 5.281 5.281 245 1HZ LYS 37 2HZ LYS 37 4.227 6.745 6.745 246 2HZ LYS 37 1HZ LYS 37 4.454 5.958 5.958 247 3HZ LYS 37 3HZ LYS 37 4.501 5.068 5.068 248 HA PRO 38 HA PRO 38 8.966 3.343 3.343 249 1HB PRO 38 2HB PRO 38 10.574 4.306 4.306 250 2HB PRO 38 1HB PRO 38 10.477 5.053 5.053 251 1HG PRO 38 2HG PRO 38 9.116 5.833 5.833 252 2HG PRO 38 1HG PRO 38 9.887 6.860 6.860 253 1HD PRO 38 2HD PRO 38 7.224 6.573 6.573 254 2HD PRO 38 1HD PRO 38 8.078 6.747 6.747 255 H VAL 39 H VAL 39 7.385 4.178 4.178 256 HA VAL 39 HA VAL 39 8.248 1.831 1.831 257 HB VAL 39 HB VAL 39 6.255 4.071 4.071 258 1HG1 VAL 39 1HG1 VAL 39 5.179 1.996 1.996 259 2HG1 VAL 39 3HG1 VAL 39 6.531 1.826 1.826 260 3HG1 VAL 39 2HG1 VAL 39 5.461 3.223 3.223 261 1HG2 VAL 39 1HG2 VAL 39 8.902 3.824 3.824 262 2HG2 VAL 39 3HG2 VAL 39 7.784 4.979 4.979 263 3HG2 VAL 39 2HG2 VAL 39 8.104 3.437 3.437 264 H LEU 40 H LEU 40 6.001 2.357 2.357 265 HA LEU 40 HA LEU 40 4.282 0.073 0.073 266 1HB LEU 40 2HB LEU 40 4.106 2.246 2.246 267 2HB LEU 40 1HB LEU 40 2.959 0.908 0.908 268 HG LEU 40 HG LEU 40 3.535 2.818 2.818 269 1HD1 LEU 40 1HD1 LEU 40 1.507 2.790 2.790 270 2HD1 LEU 40 3HD1 LEU 40 0.985 3.310 3.310 271 3HD1 LEU 40 2HD1 LEU 40 2.294 4.162 4.162 272 1HD2 LEU 40 2HD2 LEU 40 1.849 0.371 0.371 273 2HD2 LEU 40 1HD2 LEU 40 2.745 0.929 0.929 274 3HD2 LEU 40 3HD2 LEU 40 1.211 1.686 1.686 275 H LEU 41 H LEU 41 6.912 0.926 0.926 276 HA LEU 41 HA LEU 41 6.504 -1.237 -1.237 277 1HB LEU 41 2HB LEU 41 8.824 0.648 0.648 278 2HB LEU 41 1HB LEU 41 8.573 -0.307 -0.307 279 HG LEU 41 HG LEU 41 6.377 1.512 1.512 280 1HD1 LEU 41 3HD1 LEU 41 9.038 2.404 2.404 281 2HD1 LEU 41 2HD1 LEU 41 8.097 2.871 2.871 282 3HD1 LEU 41 1HD1 LEU 41 7.588 3.389 3.389 283 1HD2 LEU 41 2HD2 LEU 41 7.048 -0.097 -0.097 284 2HD2 LEU 41 1HD2 LEU 41 5.600 0.881 0.881 285 3HD2 LEU 41 3HD2 LEU 41 7.022 1.587 1.587 286 H ASN 42 H ASN 42 8.658 -0.462 -0.462 287 HA ASN 42 HA ASN 42 10.412 -2.654 -2.654 288 1HB ASN 42 2HB ASN 42 10.838 -2.202 -2.202 289 2HB ASN 42 1HB ASN 42 10.304 -0.659 -0.659 290 1HD2 ASN 42 1HD2 ASN 42 7.571 -0.812 -0.812 291 2HD2 ASN 42 2HD2 ASN 42 6.948 -1.129 -1.129 292 H SER 43 H SER 43 7.022 -2.572 -2.572 293 HA SER 43 HA SER 43 6.731 -5.042 -5.042 294 1HB SER 43 2HB SER 43 4.589 -4.177 -4.177 295 2HB SER 43 1HB SER 43 4.532 -4.441 -4.441 296 HG SER 43 HG SER 43 4.831 -2.384 -2.384 297 H LYS 44 H LYS 44 7.754 -4.468 -4.468 298 HA LYS 44 HA LYS 44 8.245 -5.999 -5.999 299 1HB LYS 44 2HB LYS 44 8.103 -7.499 -7.499 300 2HB LYS 44 1HB LYS 44 6.862 -8.260 -8.260 301 1HG LYS 44 2HG LYS 44 9.019 -7.810 -7.810 302 2HG LYS 44 1HG LYS 44 9.750 -8.404 -8.404 303 1HD LYS 44 2HD LYS 44 9.227 -10.361 -10.361 304 2HD LYS 44 1HD LYS 44 7.949 -10.235 -10.235 305 1HE LYS 44 2HE LYS 44 6.361 -9.469 -9.469 306 2HE LYS 44 1HE LYS 44 7.618 -9.012 -9.012 307 1HZ LYS 44 3HZ LYS 44 8.226 -11.557 -11.557 308 2HZ LYS 44 2HZ LYS 44 6.554 -11.651 -11.651 309 3HZ LYS 44 1HZ LYS 44 7.130 -11.045 -11.045 310 H LEU 45 H LEU 45 5.375 -4.814 -4.814 311 HA LEU 45 HA LEU 45 3.645 -6.493 -6.493 312 1HB LEU 45 2HB LEU 45 3.356 -4.208 -4.208 313 2HB LEU 45 1HB LEU 45 2.062 -4.502 -4.502 314 HG LEU 45 HG LEU 45 3.182 -6.560 -6.560 315 1HD1 LEU 45 3HD1 LEU 45 1.622 -4.494 -4.494 316 2HD1 LEU 45 2HD1 LEU 45 0.370 -5.576 -5.576 317 3HD1 LEU 45 1HD1 LEU 45 1.425 -6.098 -6.098 318 1HD2 LEU 45 3HD2 LEU 45 1.951 -7.011 -7.011 319 2HD2 LEU 45 2HD2 LEU 45 1.895 -8.120 -8.120 320 3HD2 LEU 45 1HD2 LEU 45 0.574 -6.982 -6.982 321 HA PRO 46 HA PRO 46 4.048 -3.887 -3.887 322 1HB PRO 46 2HB PRO 46 1.578 -4.210 -4.210 323 2HB PRO 46 1HB PRO 46 2.831 -5.466 -5.466 324 1HG PRO 46 2HG PRO 46 0.421 -5.242 -5.242 325 2HG PRO 46 1HG PRO 46 1.205 -6.678 -6.678 326 1HD PRO 46 2HD PRO 46 1.462 -5.833 -5.833 327 2HD PRO 46 1HD PRO 46 2.623 -6.880 -6.880 328 H VAL 47 H VAL 47 3.078 -1.898 -1.898 329 HA VAL 47 HA VAL 47 2.313 0.042 0.042 330 HB VAL 47 HB VAL 47 2.435 -0.128 -0.128 331 1HG1 VAL 47 3HG1 VAL 47 0.500 1.335 1.335 332 2HG1 VAL 47 2HG1 VAL 47 1.573 2.311 2.311 333 3HG1 VAL 47 1HG1 VAL 47 1.822 2.235 2.235 334 1HG2 VAL 47 2HG2 VAL 47 4.302 0.372 0.372 335 2HG2 VAL 47 1HG2 VAL 47 4.458 0.866 0.866 336 3HG2 VAL 47 3HG2 VAL 47 3.831 2.000 2.000 337 H ASP 48 H ASP 48 0.460 -2.379 -2.379 338 HA ASP 48 HA ASP 48 -2.061 -0.954 -0.954 339 1HB ASP 48 2HB ASP 48 -0.965 -3.671 -3.671 340 2HB ASP 48 1HB ASP 48 -2.641 -3.612 -3.612 341 H ILE 49 H ILE 49 -0.487 -3.022 -3.022 342 HA ILE 49 HA ILE 49 -2.681 -3.026 -3.026 343 HB ILE 49 HB ILE 49 0.271 -3.245 -3.245 344 1HG1 ILE 49 2HG1 ILE 49 0.012 -4.673 -4.673 345 2HG1 ILE 49 1HG1 ILE 49 -0.068 -5.723 -5.723 346 1HG2 ILE 49 1HG2 ILE 49 -2.236 -3.778 -3.778 347 2HG2 ILE 49 3HG2 ILE 49 -1.219 -5.216 -5.216 348 3HG2 ILE 49 2HG2 ILE 49 -0.596 -3.726 -3.726 349 1HD1 ILE 49 2HD1 ILE 49 -2.459 -4.620 -4.620 350 2HD1 ILE 49 1HD1 ILE 49 -1.851 -6.272 -6.272 351 3HD1 ILE 49 3HD1 ILE 49 -2.526 -5.682 -5.682 352 H LEU 50 H LEU 50 0.319 -1.193 -1.193 353 HA LEU 50 HA LEU 50 -0.075 0.599 0.599 354 1HB LEU 50 2HB LEU 50 1.330 1.254 1.254 355 2HB LEU 50 1HB LEU 50 1.772 1.762 1.762 356 HG LEU 50 HG LEU 50 2.131 -0.932 -0.932 357 1HD1 LEU 50 2HD1 LEU 50 3.875 0.985 0.985 358 2HD1 LEU 50 1HD1 LEU 50 4.019 0.553 0.553 359 3HD1 LEU 50 3HD1 LEU 50 4.390 -0.638 -0.638 360 1HD2 LEU 50 2HD2 LEU 50 1.650 -0.304 -0.304 361 2HD2 LEU 50 1HD2 LEU 50 1.232 -1.751 -1.751 362 3HD2 LEU 50 3HD2 LEU 50 2.893 -1.491 -1.491 363 H GLY 51 H GLY 51 -1.558 0.338 0.338 364 1HA GLY 51 2HA GLY 51 -2.440 3.162 3.162 365 2HA GLY 51 1HA GLY 51 -2.821 1.941 1.941 366 H ARG 52 H ARG 52 -3.653 -0.063 -0.063 367 HA ARG 52 HA ARG 52 -6.384 0.953 0.953 368 1HB ARG 52 2HB ARG 52 -5.426 -1.351 -1.351 369 2HB ARG 52 1HB ARG 52 -5.521 -1.814 -1.814 370 1HG ARG 52 2HG ARG 52 -7.879 -1.054 -1.054 371 2HG ARG 52 1HG ARG 52 -7.780 -0.666 -0.666 372 1HD ARG 52 2HD ARG 52 -7.544 -3.401 -3.401 373 2HD ARG 52 1HD ARG 52 -8.749 -2.854 -2.854 374 HE ARG 52 HE ARG 52 -5.876 -3.379 -3.379 375 1HH1 ARG 52 1HH2 ARG 52 -6.779 -1.094 -1.094 376 2HH1 ARG 52 2HH2 ARG 52 -7.446 -1.863 -1.863 377 1HH2 ARG 52 2HH1 ARG 52 -7.706 -4.974 -4.974 378 2HH2 ARG 52 1HH1 ARG 52 -7.971 -4.058 -4.058 379 H VAL 53 H VAL 53 -3.889 -0.877 -0.877 380 HA VAL 53 HA VAL 53 -4.993 -0.752 -0.752 381 HB VAL 53 HB VAL 53 -2.163 -0.547 -0.547 382 1HG1 VAL 53 3HG1 VAL 53 -3.055 0.122 0.122 383 2HG1 VAL 53 2HG1 VAL 53 -2.183 -1.409 -1.409 384 3HG1 VAL 53 1HG1 VAL 53 -1.400 0.017 0.017 385 1HG2 VAL 53 2HG2 VAL 53 -3.769 -2.633 -2.633 386 2HG2 VAL 53 1HG2 VAL 53 -2.086 -2.851 -2.851 387 3HG2 VAL 53 3HG2 VAL 53 -3.356 -2.790 -2.790 388 H TRP 54 H TRP 54 -2.690 1.617 1.617 389 HA TRP 54 HA TRP 54 -2.796 3.604 3.604 390 1HB TRP 54 2HB TRP 54 -1.327 3.795 3.795 391 2HB TRP 54 1HB TRP 54 -2.670 3.704 3.704 392 HD1 TRP 54 HD1 TRP 54 -4.407 5.823 5.823 393 HE1 TRP 54 HE1 TRP 54 -3.953 8.316 8.316 394 HE3 TRP 54 HE3 TRP 54 0.100 5.468 5.468 395 HZ2 TRP 54 HZ2 TRP 54 -1.942 9.943 9.943 396 HZ3 TRP 54 HZ3 TRP 54 1.263 7.504 7.504 397 HH2 TRP 54 HH2 TRP 54 0.250 9.741 9.741 398 H GLU 55 H GLU 55 -4.931 3.403 3.403 399 HA GLU 55 HA GLU 55 -6.655 5.522 5.522 400 1HB GLU 55 2HB GLU 55 -7.083 2.754 2.754 401 2HB GLU 55 1HB GLU 55 -8.379 3.950 3.950 402 1HG GLU 55 2HG GLU 55 -5.657 4.539 4.539 403 2HG GLU 55 1HG GLU 55 -6.976 3.866 3.866 404 H LEU 56 H LEU 56 -7.061 2.180 2.180 405 HA LEU 56 HA LEU 56 -9.281 2.895 2.895 406 1HB LEU 56 2HB LEU 56 -7.444 0.472 0.472 407 2HB LEU 56 1HB LEU 56 -9.026 0.552 0.552 408 HG LEU 56 HG LEU 56 -9.012 1.363 1.363 409 1HD1 LEU 56 2HD1 LEU 56 -7.368 -0.682 -0.682 410 2HD1 LEU 56 1HD1 LEU 56 -8.873 -1.587 -1.587 411 3HD1 LEU 56 3HD1 LEU 56 -8.534 -0.694 -0.694 412 1HD2 LEU 56 2HD2 LEU 56 -10.929 0.810 0.810 413 2HD2 LEU 56 1HD2 LEU 56 -11.162 0.497 0.497 414 3HD2 LEU 56 3HD2 LEU 56 -10.710 -0.819 -0.819 415 H SER 57 H SER 57 -5.945 3.394 3.394 416 HA SER 57 HA SER 57 -5.842 3.288 3.288 417 1HB SER 57 2HB SER 57 -3.713 2.687 2.687 418 2HB SER 57 1HB SER 57 -4.091 2.680 2.680 419 HG SER 57 HG SER 57 -2.432 4.106 4.106 420 H ASP 58 H ASP 58 -5.542 5.517 5.517 421 HA ASP 58 HA ASP 58 -4.894 7.832 7.832 422 1HB ASP 58 2HB ASP 58 -4.290 7.312 7.312 423 2HB ASP 58 1HB ASP 58 -5.940 7.807 7.807 424 H ILE 59 H ILE 59 -6.878 7.314 7.314 425 HA ILE 59 HA ILE 59 -9.536 7.410 7.410 426 HB ILE 59 HB ILE 59 -8.059 8.975 8.975 427 1HG1 ILE 59 2HG1 ILE 59 -7.541 6.589 6.589 428 2HG1 ILE 59 1HG1 ILE 59 -8.626 6.967 6.967 429 1HG2 ILE 59 1HG2 ILE 59 -10.636 9.379 9.379 430 2HG2 ILE 59 3HG2 ILE 59 -10.826 7.935 7.935 431 3HG2 ILE 59 2HG2 ILE 59 -10.062 9.376 9.376 432 1HD1 ILE 59 1HD1 ILE 59 -10.526 6.337 6.337 433 2HD1 ILE 59 3HD1 ILE 59 -9.244 5.549 5.549 434 3HD1 ILE 59 2HD1 ILE 59 -9.586 5.034 5.034 435 H ASP 60 H ASP 60 -7.299 10.153 10.153 436 HA ASP 60 HA ASP 60 -9.512 11.969 11.969 437 1HB ASP 60 2HB ASP 60 -8.148 13.572 13.572 438 2HB ASP 60 1HB ASP 60 -7.229 12.225 12.225 439 H HIS 61 H HIS 61 -6.836 10.214 10.214 440 HA HIS 61 HA HIS 61 -6.321 9.836 9.836 441 1HB HIS 61 2HB HIS 61 -8.837 11.348 11.348 442 2HB HIS 61 1HB HIS 61 -8.162 9.923 9.923 443 HD1 HIS 61 HD1 HIS 61 -8.330 7.632 7.632 444 HD2 HIS 61 HD2 HIS 61 -10.653 10.789 10.789 445 HE1 HIS 61 HE1 HIS 61 -10.028 6.618 6.618 446 H ASP 62 H ASP 62 -5.144 12.119 12.119 447 HA ASP 62 HA ASP 62 -5.332 14.169 14.169 448 1HB ASP 62 2HB ASP 62 -4.843 15.773 15.773 449 2HB ASP 62 1HB ASP 62 -5.903 14.628 14.628 450 H GLY 63 H GLY 63 -3.595 11.598 11.598 451 1HA GLY 63 2HA GLY 63 -1.478 11.132 11.132 452 2HA GLY 63 1HA GLY 63 -1.130 12.863 12.863 453 H MET 64 H MET 64 -2.309 12.194 12.194 454 HA MET 64 HA MET 64 0.389 11.536 11.536 455 1HB MET 64 2HB MET 64 -1.372 13.875 13.875 456 2HB MET 64 1HB MET 64 -0.773 13.237 13.237 457 1HG MET 64 2HG MET 64 1.513 13.375 13.375 458 2HG MET 64 1HG MET 64 0.969 13.871 13.871 459 1HE MET 64 1HE MET 64 3.049 14.999 14.999 460 2HE MET 64 3HE MET 64 2.891 16.731 16.731 461 3HE MET 64 2HE MET 64 2.725 15.565 15.565 462 H LEU 65 H LEU 65 0.274 10.601 10.601 463 HA LEU 65 HA LEU 65 -2.387 9.340 9.340 464 1HB LEU 65 2HB LEU 65 0.417 8.255 8.255 465 2HB LEU 65 1HB LEU 65 -0.762 7.458 7.458 466 HG LEU 65 HG LEU 65 -1.184 8.029 8.029 467 1HD1 LEU 65 1HD1 LEU 65 0.581 6.221 6.221 468 2HD1 LEU 65 3HD1 LEU 65 -0.897 5.260 5.260 469 3HD1 LEU 65 2HD1 LEU 65 -0.354 5.947 5.947 470 1HD2 LEU 65 3HD2 LEU 65 -3.134 7.719 7.719 471 2HD2 LEU 65 2HD2 LEU 65 -3.229 6.946 6.946 472 3HD2 LEU 65 1HD2 LEU 65 -2.710 6.017 6.017 473 H ASP 66 H ASP 66 -3.068 10.221 10.221 474 HA ASP 66 HA ASP 66 -1.278 11.409 11.409 475 1HB ASP 66 2HB ASP 66 -3.765 11.850 11.850 476 2HB ASP 66 1HB ASP 66 -4.085 10.391 10.391 477 H ARG 67 H ARG 67 -1.374 10.542 10.542 478 HA ARG 67 HA ARG 67 -0.088 8.037 8.037 479 1HB ARG 67 2HB ARG 67 -0.874 8.261 8.261 480 2HB ARG 67 1HB ARG 67 0.102 9.572 9.572 481 1HG ARG 67 2HG ARG 67 -1.670 11.040 11.040 482 2HG ARG 67 1HG ARG 67 -2.856 9.759 9.759 483 1HD ARG 67 2HD ARG 67 -2.344 9.022 9.022 484 2HD ARG 67 1HD ARG 67 -1.531 10.588 10.588 485 HE ARG 67 HE ARG 67 -3.893 11.354 11.354 486 1HH1 ARG 67 1HH2 ARG 67 -3.003 11.013 11.013 487 2HH1 ARG 67 2HH2 ARG 67 -4.515 10.466 10.466 488 1HH2 ARG 67 2HH1 ARG 67 -5.914 9.846 9.846 489 2HH2 ARG 67 1HH1 ARG 67 -6.165 9.808 9.808 490 H ASP 68 H ASP 68 -3.540 8.786 8.786 491 HA ASP 68 HA ASP 68 -4.252 6.020 6.020 492 1HB ASP 68 2HB ASP 68 -5.380 8.586 8.586 493 2HB ASP 68 1HB ASP 68 -6.387 7.740 7.740 494 H GLU 69 H GLU 69 -4.144 8.083 8.083 495 HA GLU 69 HA GLU 69 -5.550 6.182 6.182 496 1HB GLU 69 2HB GLU 69 -3.729 8.492 8.492 497 2HB GLU 69 1HB GLU 69 -5.026 7.811 7.811 498 1HG GLU 69 2HG GLU 69 -6.662 8.485 8.485 499 2HG GLU 69 1HG GLU 69 -5.351 9.253 9.253 500 H PHE 70 H PHE 70 -2.176 7.081 7.081 501 HA PHE 70 HA PHE 70 -0.986 5.402 5.402 502 1HB PHE 70 2HB PHE 70 0.139 7.267 7.267 503 2HB PHE 70 1HB PHE 70 0.042 6.344 6.344 504 HD1 PHE 70 HD2 PHE 70 1.397 4.341 4.341 505 HD2 PHE 70 HD1 PHE 70 1.656 6.604 6.604 506 HE1 PHE 70 HE2 PHE 70 3.476 3.132 3.132 507 HE2 PHE 70 HE1 PHE 70 3.735 5.394 5.394 508 HZ PHE 70 HZ PHE 70 4.640 3.665 3.665 509 H ALA 71 H ALA 71 -2.265 4.842 4.842 510 HA ALA 71 HA ALA 71 -1.014 2.316 2.316 511 1HB ALA 71 2HB ALA 71 -2.337 3.905 3.905 512 2HB ALA 71 1HB ALA 71 -3.795 3.233 3.233 513 3HB ALA 71 3HB ALA 71 -2.709 2.192 2.192 514 H VAL 72 H VAL 72 -4.098 3.168 3.168 515 HA VAL 72 HA VAL 72 -5.074 0.538 0.538 516 HB VAL 72 HB VAL 72 -5.405 3.124 3.124 517 1HG1 VAL 72 2HG1 VAL 72 -7.068 0.603 0.603 518 2HG1 VAL 72 1HG1 VAL 72 -7.706 2.125 2.125 519 3HG1 VAL 72 3HG1 VAL 72 -6.367 1.327 1.327 520 1HG2 VAL 72 3HG2 VAL 72 -6.707 2.045 2.045 521 2HG2 VAL 72 2HG2 VAL 72 -5.909 3.600 3.600 522 3HG2 VAL 72 1HG2 VAL 72 -7.472 3.292 3.292 523 H ALA 73 H ALA 73 -2.556 2.387 2.387 524 HA ALA 73 HA ALA 73 -2.627 0.803 0.803 525 1HB ALA 73 3HB ALA 73 -2.009 3.355 3.355 526 2HB ALA 73 2HB ALA 73 -0.393 2.641 2.641 527 3HB ALA 73 1HB ALA 73 -1.351 2.527 2.527 528 H MET 74 H MET 74 -1.154 0.483 0.483 529 HA MET 74 HA MET 74 1.221 -0.925 -0.925 530 1HB MET 74 2HB MET 74 0.389 -0.857 -0.857 531 2HB MET 74 1HB MET 74 2.012 -0.832 -0.832 532 1HG MET 74 2HG MET 74 0.015 1.415 1.415 533 2HG MET 74 1HG MET 74 1.683 1.382 1.382 534 1HE MET 74 3HE MET 74 3.221 0.190 0.190 535 2HE MET 74 2HE MET 74 2.749 0.002 0.002 536 3HE MET 74 1HE MET 74 3.822 1.318 1.318 537 H PHE 75 H PHE 75 -1.756 -1.733 -1.733 538 HA PHE 75 HA PHE 75 -1.071 -4.579 -4.579 539 1HB PHE 75 2HB PHE 75 -2.943 -4.756 -4.756 540 2HB PHE 75 1HB PHE 75 -2.571 -3.051 -3.051 541 HD1 PHE 75 HD2 PHE 75 -3.671 -1.422 -1.422 542 HD2 PHE 75 HD1 PHE 75 -5.094 -5.365 -5.365 543 HE1 PHE 75 HE2 PHE 75 -5.903 -0.824 -0.824 544 HE2 PHE 75 HE1 PHE 75 -7.331 -4.766 -4.766 545 HZ PHE 75 HZ PHE 75 -7.739 -2.495 -2.495 546 H LEU 76 H LEU 76 -2.682 -2.338 -2.338 547 HA LEU 76 HA LEU 76 -4.155 -4.321 -4.321 548 1HB LEU 76 2HB LEU 76 -3.569 -1.427 -1.427 549 2HB LEU 76 1HB LEU 76 -3.790 -2.119 -2.119 550 HG LEU 76 HG LEU 76 -5.725 -2.416 -2.416 551 1HD1 LEU 76 3HD1 LEU 76 -5.380 -0.172 -0.172 552 2HD1 LEU 76 2HD1 LEU 76 -6.453 -1.052 -1.052 553 3HD1 LEU 76 1HD1 LEU 76 -6.964 -0.702 -0.702 554 1HD2 LEU 76 1HD2 LEU 76 -5.331 -4.091 -4.091 555 2HD2 LEU 76 3HD2 LEU 76 -6.811 -3.978 -3.978 556 3HD2 LEU 76 2HD2 LEU 76 -6.641 -3.036 -3.036 557 H VAL 77 H VAL 77 -0.912 -3.088 -3.088 558 HA VAL 77 HA VAL 77 -0.176 -4.188 -4.188 559 HB VAL 77 HB VAL 77 1.266 -2.690 -2.690 560 1HG1 VAL 77 2HG1 VAL 77 2.310 -4.140 -4.140 561 2HG1 VAL 77 1HG1 VAL 77 2.907 -2.492 -2.492 562 3HG1 VAL 77 3HG1 VAL 77 3.137 -3.670 -3.670 563 1HG2 VAL 77 2HG2 VAL 77 -0.378 -1.427 -1.427 564 2HG2 VAL 77 1HG2 VAL 77 1.275 -0.852 -0.852 565 3HG2 VAL 77 3HG2 VAL 77 0.528 -1.886 -1.886 566 H TYR 78 H TYR 78 0.996 -4.499 -4.499 567 HA TYR 78 HA TYR 78 2.618 -6.732 -6.732 568 1HB TYR 78 2HB TYR 78 0.981 -5.408 -5.408 569 2HB TYR 78 1HB TYR 78 1.371 -7.089 -7.089 570 HD1 TYR 78 HD2 TYR 78 3.953 -7.659 -7.659 571 HD2 TYR 78 HD1 TYR 78 2.467 -3.883 -3.883 572 HE1 TYR 78 HE2 TYR 78 6.257 -6.987 -6.987 573 HE2 TYR 78 HE1 TYR 78 4.770 -3.212 -3.212 574 HH TYR 78 HH TYR 78 7.139 -5.069 -5.069 575 H CYS 79 H CYS 79 -0.878 -6.674 -6.674 576 HA CYS 79 HA CYS 79 -1.169 -9.557 -9.557 577 1HB CYS 79 2HB CYS 79 -2.790 -7.232 -7.232 578 2HB CYS 79 1HB CYS 79 -3.403 -8.308 -8.308 579 HG CYS 79 HG CYS 79 -4.502 -8.961 -8.961 580 H ALA 80 H ALA 80 -0.414 -7.520 -7.520 581 HA ALA 80 HA ALA 80 -1.393 -9.420 -9.420 582 1HB ALA 80 2HB ALA 80 -0.349 -6.678 -6.678 583 2HB ALA 80 1HB ALA 80 0.227 -7.550 -7.550 584 3HB ALA 80 3HB ALA 80 -1.504 -7.358 -7.358 585 H LEU 81 H LEU 81 1.397 -8.950 -8.950 586 HA LEU 81 HA LEU 81 3.263 -10.205 -10.205 587 1HB LEU 81 2HB LEU 81 3.421 -9.284 -9.284 588 2HB LEU 81 1HB LEU 81 4.789 -9.992 -9.992 589 HG LEU 81 HG LEU 81 4.333 -8.211 -8.211 590 1HD1 LEU 81 1HD1 LEU 81 2.625 -7.271 -7.271 591 2HD1 LEU 81 3HD1 LEU 81 3.301 -6.131 -6.131 592 3HD1 LEU 81 2HD1 LEU 81 2.211 -7.408 -7.408 593 1HD2 LEU 81 1HD2 LEU 81 5.413 -7.673 -7.673 594 2HD2 LEU 81 3HD2 LEU 81 6.307 -7.931 -7.931 595 3HD2 LEU 81 2HD2 LEU 81 5.444 -6.415 -6.415 596 H GLU 82 H GLU 82 1.558 -10.963 -10.963 597 HA GLU 82 HA GLU 82 2.628 -13.636 -13.636 598 1HB GLU 82 2HB GLU 82 1.838 -12.564 -12.564 599 2HB GLU 82 1HB GLU 82 0.359 -12.026 -12.026 600 1HG GLU 82 2HG GLU 82 -0.665 -14.095 -14.095 601 2HG GLU 82 1HG GLU 82 0.866 -14.969 -14.969 602 H LYS 83 H LYS 83 -0.594 -12.420 -12.420 603 HA LYS 83 HA LYS 83 -0.909 -14.223 -14.223 604 1HB LYS 83 2HB LYS 83 -0.813 -16.011 -16.011 605 2HB LYS 83 1HB LYS 83 -1.784 -15.146 -15.146 606 1HG LYS 83 2HG LYS 83 -3.757 -15.318 -15.318 607 2HG LYS 83 1HG LYS 83 -2.799 -16.117 -16.117 608 1HD LYS 83 2HD LYS 83 -2.245 -17.667 -17.667 609 2HD LYS 83 1HD LYS 83 -3.925 -17.215 -17.215 610 1HE LYS 83 2HE LYS 83 -4.267 -17.857 -17.857 611 2HE LYS 83 1HE LYS 83 -2.771 -18.784 -18.784 612 1HZ LYS 83 1HZ LYS 83 -5.174 -18.923 -18.923 613 2HZ LYS 83 3HZ LYS 83 -4.722 -20.098 -20.098 614 3HZ LYS 83 2HZ LYS 83 -3.737 -19.804 -19.804 615 H GLU 84 H GLU 84 -2.389 -12.210 -12.210 616 HA GLU 84 HA GLU 84 -5.046 -12.201 -12.201 617 1HB GLU 84 2HB GLU 84 -3.818 -11.465 -11.465 618 2HB GLU 84 1HB GLU 84 -4.370 -9.942 -9.942 619 1HG GLU 84 2HG GLU 84 -6.371 -10.500 -10.500 620 2HG GLU 84 1HG GLU 84 -6.530 -11.552 -11.552 621 HA PRO 85 HA PRO 85 -3.735 -9.198 -9.198 622 1HB PRO 85 2HB PRO 85 -6.060 -9.307 -9.307 623 2HB PRO 85 1HB PRO 85 -4.775 -10.521 -10.521 624 1HG PRO 85 2HG PRO 85 -7.335 -10.660 -10.660 625 2HG PRO 85 1HG PRO 85 -6.502 -11.917 -11.917 626 1HD PRO 85 2HD PRO 85 -6.435 -11.760 -11.760 627 2HD PRO 85 1HD PRO 85 -5.141 -12.490 -12.490 628 H VAL 86 H VAL 86 -5.414 -7.302 -7.302 629 HA VAL 86 HA VAL 86 -6.890 -6.182 -6.182 630 HB VAL 86 HB VAL 86 -4.848 -4.790 -4.790 631 1HG1 VAL 86 1HG1 VAL 86 -6.844 -3.834 -3.834 632 2HG1 VAL 86 3HG1 VAL 86 -5.252 -3.074 -3.074 633 3HG1 VAL 86 2HG1 VAL 86 -6.242 -3.037 -3.037 634 1HG2 VAL 86 2HG2 VAL 86 -4.623 -6.340 -6.340 635 2HG2 VAL 86 1HG2 VAL 86 -3.347 -5.532 -5.532 636 3HG2 VAL 86 3HG2 VAL 86 -4.219 -4.659 -4.659 637 HA PRO 87 HA PRO 87 -9.709 -5.404 -5.404 638 1HB PRO 87 2HB PRO 87 -11.806 -4.620 -4.620 639 2HB PRO 87 1HB PRO 87 -11.346 -6.321 -6.321 640 1HG PRO 87 2HG PRO 87 -10.948 -4.524 -4.524 641 2HG PRO 87 1HG PRO 87 -11.089 -6.286 -6.286 642 1HD PRO 87 2HD PRO 87 -8.719 -4.781 -4.781 643 2HD PRO 87 1HD PRO 87 -8.846 -6.530 -6.530 644 H MET 88 H MET 88 -11.501 -3.333 -3.333 645 HA MET 88 HA MET 88 -9.768 -0.917 -0.917 646 1HB MET 88 2HB MET 88 -11.856 -0.363 -0.363 647 2HB MET 88 1HB MET 88 -10.144 -0.523 -0.523 648 1HG MET 88 2HG MET 88 -10.573 -3.057 -3.057 649 2HG MET 88 1HG MET 88 -12.290 -2.653 -2.653 650 1HE MET 88 3HE MET 88 -12.681 -3.847 -3.847 651 2HE MET 88 2HE MET 88 -12.238 -3.432 -3.432 652 3HE MET 88 1HE MET 88 -11.080 -4.269 -4.269 653 H SER 89 H SER 89 -12.242 -2.404 -2.404 654 HA SER 89 HA SER 89 -13.919 0.051 0.051 655 1HB SER 89 2HB SER 89 -15.614 -1.522 -1.522 656 2HB SER 89 1HB SER 89 -14.957 -2.026 -2.026 657 HG SER 89 HG SER 89 -14.552 -3.830 -3.830 658 H LEU 90 H LEU 90 -13.184 1.249 1.249 659 HA LEU 90 HA LEU 90 -11.834 0.403 0.403 660 1HB LEU 90 2HB LEU 90 -13.001 2.756 2.756 661 2HB LEU 90 1HB LEU 90 -13.557 2.636 2.636 662 HG LEU 90 HG LEU 90 -10.652 2.243 2.243 663 1HD1 LEU 90 2HD1 LEU 90 -11.893 4.553 4.553 664 2HD1 LEU 90 1HD1 LEU 90 -11.565 4.869 4.869 665 3HD1 LEU 90 3HD1 LEU 90 -10.237 4.500 4.500 666 1HD2 LEU 90 3HD2 LEU 90 -11.447 1.529 1.529 667 2HD2 LEU 90 2HD2 LEU 90 -10.362 2.914 2.914 668 3HD2 LEU 90 1HD2 LEU 90 -12.105 3.141 3.141 669 HA PRO 91 HA PRO 91 -15.468 -1.684 -1.684 670 1HB PRO 91 2HB PRO 91 -14.081 -3.164 -3.164 671 2HB PRO 91 1HB PRO 91 -14.243 -3.630 -3.630 672 1HG PRO 91 2HG PRO 91 -11.948 -2.402 -2.402 673 2HG PRO 91 1HG PRO 91 -11.966 -3.560 -3.560 674 1HD PRO 91 2HD PRO 91 -11.473 -0.860 -0.860 675 2HD PRO 91 1HD PRO 91 -12.032 -1.927 -1.927 676 HA PRO 92 HA PRO 92 -16.121 1.002 1.002 677 1HB PRO 92 2HB PRO 92 -18.146 -0.350 -0.350 678 2HB PRO 92 1HB PRO 92 -18.365 0.550 0.550 679 1HG PRO 92 2HG PRO 92 -18.002 -2.373 -2.373 680 2HG PRO 92 1HG PRO 92 -19.072 -1.526 -1.526 681 1HD PRO 92 2HD PRO 92 -16.722 -2.665 -2.665 682 2HD PRO 92 1HD PRO 92 -17.417 -1.244 -1.244 683 H ALA 93 H ALA 93 -14.835 -2.091 -2.091 684 HA ALA 93 HA ALA 93 -14.832 -2.029 -2.029 685 1HB ALA 93 2HB ALA 93 -14.784 -3.993 -3.993 686 2HB ALA 93 1HB ALA 93 -13.262 -4.134 -4.134 687 3HB ALA 93 3HB ALA 93 -14.796 -4.268 -4.268 688 H LEU 94 H LEU 94 -12.843 -1.346 -1.346 689 HA LEU 94 HA LEU 94 -10.361 -1.157 -1.157 690 1HB LEU 94 2HB LEU 94 -10.009 -2.296 -2.296 691 2HB LEU 94 1HB LEU 94 -11.175 -1.305 -1.305 692 HG LEU 94 HG LEU 94 -8.719 -0.934 -0.934 693 1HD1 LEU 94 1HD1 LEU 94 -10.912 0.807 0.807 694 2HD1 LEU 94 3HD1 LEU 94 -9.533 1.719 1.719 695 3HD1 LEU 94 2HD1 LEU 94 -9.470 1.023 1.023 696 1HD2 LEU 94 2HD2 LEU 94 -8.633 -0.520 -0.520 697 2HD2 LEU 94 1HD2 LEU 94 -7.299 -0.494 -0.494 698 3HD2 LEU 94 3HD2 LEU 94 -8.192 0.984 0.984 699 H VAL 95 H VAL 95 -12.928 0.765 0.765 700 HA VAL 95 HA VAL 95 -11.369 3.265 3.265 701 HB VAL 95 HB VAL 95 -13.309 2.561 2.561 702 1HG1 VAL 95 2HG1 VAL 95 -14.724 1.678 1.678 703 2HG1 VAL 95 1HG1 VAL 95 -14.910 3.323 3.323 704 3HG1 VAL 95 3HG1 VAL 95 -15.569 2.887 2.887 705 1HG2 VAL 95 3HG2 VAL 95 -13.286 5.172 5.172 706 2HG2 VAL 95 2HG2 VAL 95 -12.672 4.847 4.847 707 3HG2 VAL 95 1HG2 VAL 95 -14.411 4.885 4.885 708 HA PRO 96 HA PRO 96 -12.051 4.168 4.168 709 1HB PRO 96 2HB PRO 96 -11.302 6.800 6.800 710 2HB PRO 96 1HB PRO 96 -10.136 5.463 5.463 711 1HG PRO 96 2HG PRO 96 -11.172 7.139 7.139 712 2HG PRO 96 1HG PRO 96 -9.542 6.505 6.505 713 1HD PRO 96 2HD PRO 96 -11.317 5.406 5.406 714 2HD PRO 96 1HD PRO 96 -10.029 4.482 4.482 715 HA PRO 97 HA PRO 97 -15.927 6.210 6.210 716 1HB PRO 97 2HB PRO 97 -15.717 7.759 7.759 717 2HB PRO 97 1HB PRO 97 -15.829 5.989 5.989 718 1HG PRO 97 2HG PRO 97 -13.440 7.741 7.741 719 2HG PRO 97 1HG PRO 97 -13.845 6.248 6.248 720 1HD PRO 97 2HD PRO 97 -12.068 6.371 6.371 721 2HD PRO 97 1HD PRO 97 -12.998 4.915 4.915 722 H SER 98 H SER 98 -13.158 7.966 7.966 723 HA SER 98 HA SER 98 -14.399 10.632 10.632 724 1HB SER 98 2HB SER 98 -11.860 9.934 9.934 725 2HB SER 98 1HB SER 98 -12.232 11.350 11.350 726 HG SER 98 HG SER 98 -10.797 9.767 9.767 727 H LYS 99 H LYS 99 -14.145 7.920 7.920 728 HA LYS 99 HA LYS 99 -14.642 9.516 9.516 729 1HB LYS 99 2HB LYS 99 -13.200 7.362 7.362 730 2HB LYS 99 1HB LYS 99 -14.747 6.515 6.515 731 1HG LYS 99 2HG LYS 99 -13.964 6.536 6.536 732 2HG LYS 99 1HG LYS 99 -15.247 7.742 7.742 733 1HD LYS 99 2HD LYS 99 -12.994 9.193 9.193 734 2HD LYS 99 1HD LYS 99 -12.390 8.100 8.100 735 1HE LYS 99 2HE LYS 99 -13.506 9.213 9.213 736 2HE LYS 99 1HE LYS 99 -15.004 9.252 9.252 737 1HZ LYS 99 2HZ LYS 99 -12.702 10.898 10.898 738 2HZ LYS 99 1HZ LYS 99 -13.724 11.451 11.451 739 3HZ LYS 99 3HZ LYS 99 -14.355 11.142 11.142 740 H ARG 100 H ARG 100 -16.487 8.457 8.457 741 HA ARG 100 HA ARG 100 -18.819 7.449 7.449 742 1HB ARG 100 2HB ARG 100 -17.955 8.055 8.055 743 2HB ARG 100 1HB ARG 100 -19.690 8.194 8.194 744 1HG ARG 100 2HG ARG 100 -19.689 5.945 5.945 745 2HG ARG 100 1HG ARG 100 -19.136 5.864 5.864 746 1HD ARG 100 2HD ARG 100 -16.756 6.272 6.272 747 2HD ARG 100 1HD ARG 100 -17.610 5.406 5.406 748 HE ARG 100 HE ARG 100 -16.905 4.300 4.300 749 1HH1 ARG 100 1HH2 ARG 100 -17.308 3.329 3.329 750 2HH1 ARG 100 2HH2 ARG 100 -18.402 2.022 2.022 751 1HH2 ARG 100 2HH1 ARG 100 -19.015 2.959 2.959 752 2HH2 ARG 100 1HH1 ARG 100 -19.368 1.812 1.812 Start of MODEL 2 1 HA PRO 6 HA PRO 6 -14.413 -0.421 -0.421 2 1HB PRO 6 2HB PRO 6 -12.525 -2.380 -2.380 3 2HB PRO 6 1HB PRO 6 -13.888 -2.176 -2.176 4 1HG PRO 6 2HG PRO 6 -13.535 -4.125 -4.125 5 2HG PRO 6 1HG PRO 6 -14.285 -4.345 -4.345 6 1HD PRO 6 2HD PRO 6 -15.699 -3.992 -3.992 7 2HD PRO 6 1HD PRO 6 -16.310 -3.554 -3.554 8 H TRP 7 H TRP 7 -11.755 -0.641 -0.641 9 HA TRP 7 HA TRP 7 -11.622 0.036 0.036 10 1HB TRP 7 2HB TRP 7 -10.582 1.359 1.359 11 2HB TRP 7 1HB TRP 7 -9.497 0.003 0.003 12 HD1 TRP 7 HD1 TRP 7 -10.279 0.431 0.431 13 HE1 TRP 7 HE1 TRP 7 -8.286 1.492 1.492 14 HE3 TRP 7 HE3 TRP 7 -7.459 1.900 1.900 15 HZ2 TRP 7 HZ2 TRP 7 -5.820 2.798 2.798 16 HZ3 TRP 7 HZ3 TRP 7 -5.293 3.052 3.052 17 HH2 TRP 7 HH2 TRP 7 -4.470 3.501 3.501 18 H ALA 8 H ALA 8 -11.186 -1.561 -1.561 19 HA ALA 8 HA ALA 8 -10.577 -4.221 -4.221 20 1HB ALA 8 3HB ALA 8 -10.525 -2.287 -2.287 21 2HB ALA 8 2HB ALA 8 -8.988 -3.147 -3.147 22 3HB ALA 8 1HB ALA 8 -10.508 -4.040 -4.040 23 H VAL 9 H VAL 9 -8.397 -1.489 -1.489 24 HA VAL 9 HA VAL 9 -6.027 -3.239 -3.239 25 HB VAL 9 HB VAL 9 -6.472 -0.236 -0.236 26 1HG1 VAL 9 2HG1 VAL 9 -4.481 -0.932 -0.932 27 2HG1 VAL 9 1HG1 VAL 9 -3.892 -1.829 -1.829 28 3HG1 VAL 9 3HG1 VAL 9 -4.024 -0.072 -0.072 29 1HG2 VAL 9 3HG2 VAL 9 -6.883 -1.399 -1.399 30 2HG2 VAL 9 2HG2 VAL 9 -5.517 -0.282 -0.282 31 3HG2 VAL 9 1HG2 VAL 9 -5.232 -2.018 -2.018 32 H LYS 10 H LYS 10 -4.717 -3.079 -3.079 33 HA LYS 10 HA LYS 10 -6.317 -2.275 -2.275 34 1HB LYS 10 2HB LYS 10 -5.151 -4.806 -4.806 35 2HB LYS 10 1HB LYS 10 -4.578 -4.343 -4.343 36 1HG LYS 10 2HG LYS 10 -6.653 -4.545 -4.545 37 2HG LYS 10 1HG LYS 10 -7.485 -3.990 -3.990 38 1HD LYS 10 2HD LYS 10 -6.872 -6.200 -6.200 39 2HD LYS 10 1HD LYS 10 -6.318 -6.738 -6.738 40 1HE LYS 10 2HE LYS 10 -8.785 -5.768 -5.768 41 2HE LYS 10 1HE LYS 10 -9.084 -6.369 -6.369 42 1HZ LYS 10 2HZ LYS 10 -7.543 -7.947 -7.947 43 2HZ LYS 10 1HZ LYS 10 -9.237 -8.052 -8.052 44 3HZ LYS 10 3HZ LYS 10 -8.298 -8.482 -8.482 45 HA PRO 11 HA PRO 11 -2.795 -0.174 -0.174 46 1HB PRO 11 2HB PRO 11 -2.291 -1.294 -1.294 47 2HB PRO 11 1HB PRO 11 -3.665 -0.212 -0.212 48 1HG PRO 11 2HG PRO 11 -3.593 -3.194 -3.194 49 2HG PRO 11 1HG PRO 11 -4.791 -2.070 -2.070 50 1HD PRO 11 2HD PRO 11 -5.222 -3.415 -3.415 51 2HD PRO 11 1HD PRO 11 -5.838 -1.766 -1.766 52 H GLU 12 H GLU 12 -2.534 -3.706 -3.706 53 HA GLU 12 HA GLU 12 0.357 -3.776 -3.776 54 1HB GLU 12 2HB GLU 12 -1.418 -5.951 -5.951 55 2HB GLU 12 1HB GLU 12 0.040 -6.123 -6.123 56 1HG GLU 12 2HG GLU 12 -1.547 -4.661 -4.661 57 2HG GLU 12 1HG GLU 12 -2.747 -5.650 -5.650 58 H ASP 13 H ASP 13 -2.015 -3.879 -3.879 59 HA ASP 13 HA ASP 13 0.036 -4.280 -4.280 60 1HB ASP 13 2HB ASP 13 -2.920 -4.121 -4.121 61 2HB ASP 13 1HB ASP 13 -2.275 -3.554 -3.554 62 H LYS 14 H LYS 14 -1.863 -1.682 -1.682 63 HA LYS 14 HA LYS 14 -1.008 0.345 0.345 64 1HB LYS 14 2HB LYS 14 -3.124 0.616 0.616 65 2HB LYS 14 1HB LYS 14 -2.425 0.309 0.309 66 1HG LYS 14 2HG LYS 14 -2.712 2.660 2.660 67 2HG LYS 14 1HG LYS 14 -0.998 2.412 2.412 68 1HD LYS 14 2HD LYS 14 -1.311 2.734 2.734 69 2HD LYS 14 1HD LYS 14 -3.066 2.645 2.645 70 1HE LYS 14 2HE LYS 14 -2.789 4.957 4.957 71 2HE LYS 14 1HE LYS 14 -2.639 4.699 4.699 72 1HZ LYS 14 1HZ LYS 14 -0.336 4.549 4.549 73 2HZ LYS 14 3HZ LYS 14 -0.766 5.974 5.974 74 3HZ LYS 14 2HZ LYS 14 -0.299 4.600 4.600 75 H ALA 15 H ALA 15 0.202 -1.097 -1.097 76 HA ALA 15 HA ALA 15 1.900 1.052 1.052 77 1HB ALA 15 2HB ALA 15 1.623 -1.914 -1.914 78 2HB ALA 15 1HB ALA 15 3.098 -1.137 -1.137 79 3HB ALA 15 3HB ALA 15 1.529 -0.627 -0.627 80 H LYS 16 H LYS 16 2.387 -1.736 -1.736 81 HA LYS 16 HA LYS 16 5.172 -1.098 -1.098 82 1HB LYS 16 2HB LYS 16 5.075 -3.119 -3.119 83 2HB LYS 16 1HB LYS 16 3.499 -3.257 -3.257 84 1HG LYS 16 2HG LYS 16 2.358 -2.557 -2.557 85 2HG LYS 16 1HG LYS 16 3.835 -1.952 -1.952 86 1HD LYS 16 2HD LYS 16 3.686 -3.976 -3.976 87 2HD LYS 16 1HD LYS 16 4.596 -4.490 -4.490 88 1HE LYS 16 2HE LYS 16 2.337 -4.995 -4.995 89 2HE LYS 16 1HE LYS 16 1.628 -4.806 -4.806 90 1HZ LYS 16 3HZ LYS 16 3.426 -6.356 -6.356 91 2HZ LYS 16 2HZ LYS 16 3.748 -6.701 -6.701 92 3HZ LYS 16 1HZ LYS 16 2.228 -7.069 -7.069 93 H TYR 17 H TYR 17 2.047 -0.271 -0.271 94 HA TYR 17 HA TYR 17 2.967 0.925 0.925 95 1HB TYR 17 2HB TYR 17 0.557 1.513 1.513 96 2HB TYR 17 1HB TYR 17 0.718 1.971 1.971 97 HD1 TYR 17 HD2 TYR 17 2.381 -1.000 -1.000 98 HD2 TYR 17 HD1 TYR 17 -1.612 0.486 0.486 99 HE1 TYR 17 HE2 TYR 17 1.469 -3.202 -3.202 100 HE2 TYR 17 HE1 TYR 17 -2.530 -1.713 -1.713 101 HH TYR 17 HH TYR 17 -0.599 -4.132 -4.132 102 H ASP 18 H ASP 18 2.432 2.110 2.110 103 HA ASP 18 HA ASP 18 2.924 4.898 4.898 104 1HB ASP 18 2HB ASP 18 1.724 3.875 3.875 105 2HB ASP 18 1HB ASP 18 3.287 3.321 3.321 106 H ALA 19 H ALA 19 5.021 2.211 2.211 107 HA ALA 19 HA ALA 19 7.392 3.864 3.864 108 1HB ALA 19 2HB ALA 19 6.905 0.914 0.914 109 2HB ALA 19 1HB ALA 19 8.509 1.580 1.580 110 3HB ALA 19 3HB ALA 19 7.264 1.661 1.661 111 H ILE 20 H ILE 20 5.836 2.137 2.137 112 HA ILE 20 HA ILE 20 7.932 2.640 2.640 113 HB ILE 20 HB ILE 20 5.098 1.585 1.585 114 1HG1 ILE 20 2HG1 ILE 20 7.593 0.255 0.255 115 2HG1 ILE 20 1HG1 ILE 20 7.199 0.239 0.239 116 1HG2 ILE 20 3HG2 ILE 20 5.478 2.944 2.944 117 2HG2 ILE 20 2HG2 ILE 20 6.772 1.822 1.822 118 3HG2 ILE 20 1HG2 ILE 20 5.111 1.246 1.246 119 1HD1 ILE 20 1HD1 ILE 20 4.801 -0.491 -0.491 120 2HD1 ILE 20 3HD1 ILE 20 5.888 -1.177 -1.177 121 3HD1 ILE 20 2HD1 ILE 20 6.039 -1.651 -1.651 122 H PHE 21 H PHE 21 4.948 4.077 4.077 123 HA PHE 21 HA PHE 21 4.581 6.016 6.016 124 1HB PHE 21 2HB PHE 21 2.674 5.704 5.704 125 2HB PHE 21 1HB PHE 21 3.591 5.412 5.412 126 HD1 PHE 21 HD2 PHE 21 4.781 7.431 7.431 127 HD2 PHE 21 HD1 PHE 21 1.675 7.804 7.804 128 HE1 PHE 21 HE2 PHE 21 4.370 9.762 9.762 129 HE2 PHE 21 HE1 PHE 21 1.264 10.139 10.139 130 HZ PHE 21 HZ PHE 21 2.616 11.114 11.114 131 H ASP 22 H ASP 22 6.287 5.957 5.957 132 HA ASP 22 HA ASP 22 7.233 8.738 8.738 133 1HB ASP 22 2HB ASP 22 6.569 8.071 8.071 134 2HB ASP 22 1HB ASP 22 7.476 6.557 6.557 135 H SER 23 H SER 23 8.126 5.821 5.821 136 HA SER 23 HA SER 23 11.062 6.197 6.197 137 1HB SER 23 2HB SER 23 9.196 4.056 4.056 138 2HB SER 23 1HB SER 23 10.358 4.135 4.135 139 HG SER 23 HG SER 23 11.281 4.376 4.376 140 H LEU 24 H LEU 24 8.664 7.534 7.534 141 HA LEU 24 HA LEU 24 10.278 7.768 7.768 142 1HB LEU 24 2HB LEU 24 7.441 8.622 8.622 143 2HB LEU 24 1HB LEU 24 8.284 7.649 7.649 144 HG LEU 24 HG LEU 24 7.433 6.607 6.607 145 1HD1 LEU 24 2HD1 LEU 24 6.068 6.402 6.402 146 2HD1 LEU 24 1HD1 LEU 24 5.608 5.474 5.474 147 3HD1 LEU 24 3HD1 LEU 24 5.447 7.229 7.229 148 1HD2 LEU 24 1HD2 LEU 24 8.850 5.542 5.542 149 2HD2 LEU 24 3HD2 LEU 24 8.950 5.036 5.036 150 3HD2 LEU 24 2HD2 LEU 24 7.611 4.486 4.486 151 H SER 25 H SER 25 9.470 9.319 9.319 152 HA SER 25 HA SER 25 9.920 11.560 11.560 153 1HB SER 25 2HB SER 25 10.048 12.400 12.400 154 2HB SER 25 1HB SER 25 10.990 12.977 12.977 155 HG SER 25 HG SER 25 12.048 10.938 10.938 156 HA PRO 26 HA PRO 26 5.494 12.068 12.068 157 1HB PRO 26 2HB PRO 26 4.747 12.481 12.481 158 2HB PRO 26 1HB PRO 26 4.948 10.861 10.861 159 1HG PRO 26 2HG PRO 26 6.780 12.411 12.411 160 2HG PRO 26 1HG PRO 26 6.430 10.675 10.675 161 1HD PRO 26 2HD PRO 26 8.683 11.789 11.789 162 2HD PRO 26 1HD PRO 26 7.979 10.248 10.248 163 H VAL 27 H VAL 27 4.355 14.000 14.000 164 HA VAL 27 HA VAL 27 5.790 16.453 16.453 165 HB VAL 27 HB VAL 27 3.871 16.067 16.067 166 1HG1 VAL 27 2HG1 VAL 27 5.614 18.350 18.350 167 2HG1 VAL 27 1HG1 VAL 27 4.998 18.261 18.261 168 3HG1 VAL 27 3HG1 VAL 27 3.875 18.359 18.359 169 1HG2 VAL 27 1HG2 VAL 27 6.860 15.848 15.848 170 2HG2 VAL 27 3HG2 VAL 27 5.744 14.849 14.849 171 3HG2 VAL 27 2HG2 VAL 27 6.162 16.467 16.467 172 H ASN 28 H ASN 28 4.708 16.992 16.992 173 HA ASN 28 HA ASN 28 2.904 17.611 17.611 174 1HB ASN 28 2HB ASN 28 2.571 19.305 19.305 175 2HB ASN 28 1HB ASN 28 1.900 18.144 18.144 176 1HD2 ASN 28 1HD2 ASN 28 -0.353 17.883 17.883 177 2HD2 ASN 28 2HD2 ASN 28 -1.381 18.497 18.497 178 H GLY 29 H GLY 29 3.161 14.798 14.798 179 1HA GLY 29 2HA GLY 29 1.924 12.848 12.848 180 2HA GLY 29 1HA GLY 29 0.497 13.861 13.861 181 H PHE 30 H PHE 30 2.584 13.836 13.836 182 HA PHE 30 HA PHE 30 0.501 12.404 12.404 183 1HB PHE 30 2HB PHE 30 1.395 15.270 15.270 184 2HB PHE 30 1HB PHE 30 0.518 14.373 14.373 185 HD1 PHE 30 HD2 PHE 30 -1.756 13.504 13.504 186 HD2 PHE 30 HD1 PHE 30 0.297 16.054 16.054 187 HE1 PHE 30 HE2 PHE 30 -3.899 13.960 13.960 188 HE2 PHE 30 HE1 PHE 30 -1.832 16.505 16.505 189 HZ PHE 30 HZ PHE 30 -3.939 15.462 15.462 190 H LEU 31 H LEU 31 1.251 11.787 11.787 191 HA LEU 31 HA LEU 31 4.185 12.110 12.110 192 1HB LEU 31 2HB LEU 31 2.535 9.563 9.563 193 2HB LEU 31 1HB LEU 31 4.164 9.661 9.661 194 HG LEU 31 HG LEU 31 3.723 10.712 10.712 195 1HD1 LEU 31 2HD1 LEU 31 3.721 7.804 7.804 196 2HD1 LEU 31 1HD1 LEU 31 4.291 8.313 8.313 197 3HD1 LEU 31 3HD1 LEU 31 2.627 8.635 8.635 198 1HD2 LEU 31 3HD2 LEU 31 5.906 9.889 9.889 199 2HD2 LEU 31 2HD2 LEU 31 5.950 10.915 10.915 200 3HD2 LEU 31 1HD2 LEU 31 6.031 9.159 9.159 201 H SER 32 H SER 32 4.576 12.604 12.604 202 HA SER 32 HA SER 32 2.321 12.937 12.937 203 1HB SER 32 2HB SER 32 4.766 13.313 13.313 204 2HB SER 32 1HB SER 32 3.749 14.558 14.558 205 HG SER 32 HG SER 32 5.729 14.711 14.711 206 H GLY 33 H GLY 33 1.835 11.681 11.681 207 1HA GLY 33 2HA GLY 33 2.384 8.964 8.964 208 2HA GLY 33 1HA GLY 33 2.031 9.912 9.912 209 H ASP 34 H ASP 34 4.477 11.608 11.608 210 HA ASP 34 HA ASP 34 6.342 10.128 10.128 211 1HB ASP 34 2HB ASP 34 5.926 12.677 12.677 212 2HB ASP 34 1HB ASP 34 7.041 12.464 12.464 213 H LYS 35 H LYS 35 5.627 9.952 9.952 214 HA LYS 35 HA LYS 35 8.345 8.863 8.863 215 1HB LYS 35 2HB LYS 35 6.246 9.627 9.627 216 2HB LYS 35 1HB LYS 35 7.999 9.681 9.681 217 1HG LYS 35 2HG LYS 35 8.068 11.554 11.554 218 2HG LYS 35 1HG LYS 35 6.306 11.512 11.512 219 1HD LYS 35 2HD LYS 35 6.999 13.257 13.257 220 2HD LYS 35 1HD LYS 35 6.198 11.956 11.956 221 1HE LYS 35 2HE LYS 35 8.060 12.090 12.090 222 2HE LYS 35 1HE LYS 35 8.800 11.103 11.103 223 1HZ LYS 35 3HZ LYS 35 9.208 13.292 13.292 224 2HZ LYS 35 2HZ LYS 35 8.866 14.046 14.046 225 3HZ LYS 35 1HZ LYS 35 10.178 12.974 12.974 226 H VAL 36 H VAL 36 4.869 8.415 8.415 227 HA VAL 36 HA VAL 36 5.115 5.776 5.776 228 HB VAL 36 HB VAL 36 2.823 7.292 7.292 229 1HG1 VAL 36 3HG1 VAL 36 3.028 4.595 4.595 230 2HG1 VAL 36 2HG1 VAL 36 1.924 5.521 5.521 231 3HG1 VAL 36 1HG1 VAL 36 1.639 5.406 5.406 232 1HG2 VAL 36 2HG2 VAL 36 3.848 7.078 7.078 233 2HG2 VAL 36 1HG2 VAL 36 3.707 8.537 8.537 234 3HG2 VAL 36 3HG2 VAL 36 2.255 7.719 7.719 235 H LYS 37 H LYS 37 4.114 7.009 7.009 236 HA LYS 37 HA LYS 37 3.384 4.648 4.648 237 1HB LYS 37 2HB LYS 37 3.476 7.040 7.040 238 2HB LYS 37 1HB LYS 37 5.172 6.744 6.744 239 1HG LYS 37 2HG LYS 37 4.145 4.554 4.554 240 2HG LYS 37 1HG LYS 37 2.723 5.591 5.591 241 1HD LYS 37 2HD LYS 37 4.186 7.353 7.353 242 2HD LYS 37 1HD LYS 37 5.489 6.164 6.164 243 1HE LYS 37 2HE LYS 37 4.187 4.697 4.697 244 2HE LYS 37 1HE LYS 37 2.771 5.760 5.760 245 1HZ LYS 37 2HZ LYS 37 5.403 6.748 6.748 246 2HZ LYS 37 1HZ LYS 37 4.244 6.127 6.127 247 3HZ LYS 37 3HZ LYS 37 3.887 7.500 7.500 248 HA PRO 38 HA PRO 38 7.970 3.605 3.605 249 1HB PRO 38 2HB PRO 38 9.870 4.780 4.780 250 2HB PRO 38 1HB PRO 38 9.356 5.466 5.466 251 1HG PRO 38 2HG PRO 38 8.528 6.212 6.212 252 2HG PRO 38 1HG PRO 38 8.887 7.252 7.252 253 1HD PRO 38 2HD PRO 38 6.365 6.683 6.683 254 2HD PRO 38 1HD PRO 38 6.806 6.965 6.965 255 H VAL 39 H VAL 39 7.105 4.486 4.486 256 HA VAL 39 HA VAL 39 8.442 2.396 2.396 257 HB VAL 39 HB VAL 39 6.142 4.280 4.280 258 1HG1 VAL 39 1HG1 VAL 39 6.379 1.697 1.697 259 2HG1 VAL 39 3HG1 VAL 39 6.408 3.054 3.054 260 3HG1 VAL 39 2HG1 VAL 39 5.050 2.857 2.857 261 1HG2 VAL 39 2HG2 VAL 39 8.764 4.546 4.546 262 2HG2 VAL 39 1HG2 VAL 39 7.579 5.327 5.327 263 3HG2 VAL 39 3HG2 VAL 39 8.338 3.815 3.815 264 H LEU 40 H LEU 40 5.535 2.506 2.506 265 HA LEU 40 HA LEU 40 4.518 -0.072 -0.072 266 1HB LEU 40 2HB LEU 40 3.766 1.756 1.756 267 2HB LEU 40 1HB LEU 40 2.828 0.355 0.355 268 HG LEU 40 HG LEU 40 3.373 2.891 2.891 269 1HD1 LEU 40 2HD1 LEU 40 1.055 1.581 1.581 270 2HD1 LEU 40 1HD1 LEU 40 0.739 2.336 2.336 271 3HD1 LEU 40 3HD1 LEU 40 1.396 3.297 3.297 272 1HD2 LEU 40 3HD2 LEU 40 2.376 0.210 0.210 273 2HD2 LEU 40 2HD2 LEU 40 3.765 1.126 1.126 274 3HD2 LEU 40 1HD2 LEU 40 2.124 1.717 1.717 275 H LEU 41 H LEU 41 6.786 1.057 1.057 276 HA LEU 41 HA LEU 41 6.576 -1.180 -1.180 277 1HB LEU 41 2HB LEU 41 8.466 1.098 1.098 278 2HB LEU 41 1HB LEU 41 8.938 -0.186 -0.186 279 HG LEU 41 HG LEU 41 6.275 1.191 1.191 280 1HD1 LEU 41 1HD1 LEU 41 8.704 2.542 2.542 281 2HD1 LEU 41 3HD1 LEU 41 8.362 2.111 2.111 282 3HD1 LEU 41 2HD1 LEU 41 7.192 3.051 3.051 283 1HD2 LEU 41 1HD2 LEU 41 7.928 -0.749 -0.749 284 2HD2 LEU 41 3HD2 LEU 41 6.184 -0.490 -0.490 285 3HD2 LEU 41 2HD2 LEU 41 7.254 0.536 0.536 286 H ASN 42 H ASN 42 8.258 -0.426 -0.426 287 HA ASN 42 HA ASN 42 10.291 -2.441 -2.441 288 1HB ASN 42 2HB ASN 42 8.779 -1.227 -1.227 289 2HB ASN 42 1HB ASN 42 10.330 -2.060 -2.060 290 1HD2 ASN 42 1HD2 ASN 42 8.741 0.879 0.879 291 2HD2 ASN 42 2HD2 ASN 42 10.166 1.762 1.762 292 H SER 43 H SER 43 6.884 -2.635 -2.635 293 HA SER 43 HA SER 43 6.708 -5.074 -5.074 294 1HB SER 43 2HB SER 43 4.670 -4.086 -4.086 295 2HB SER 43 1HB SER 43 5.007 -3.194 -3.194 296 HG SER 43 HG SER 43 4.520 -5.077 -5.077 297 H LYS 44 H LYS 44 7.955 -4.533 -4.533 298 HA LYS 44 HA LYS 44 8.598 -6.054 -6.054 299 1HB LYS 44 2HB LYS 44 8.351 -7.499 -7.499 300 2HB LYS 44 1HB LYS 44 7.295 -8.378 -8.378 301 1HG LYS 44 2HG LYS 44 9.077 -8.682 -8.682 302 2HG LYS 44 1HG LYS 44 10.131 -7.580 -7.580 303 1HD LYS 44 2HD LYS 44 10.678 -9.974 -9.974 304 2HD LYS 44 1HD LYS 44 10.194 -9.116 -9.116 305 1HE LYS 44 2HE LYS 44 8.005 -10.096 -10.096 306 2HE LYS 44 1HE LYS 44 8.242 -10.724 -10.724 307 1HZ LYS 44 1HZ LYS 44 9.954 -11.443 -11.443 308 2HZ LYS 44 3HZ LYS 44 8.661 -12.395 -12.395 309 3HZ LYS 44 2HZ LYS 44 9.999 -12.125 -12.125 310 H LEU 45 H LEU 45 5.735 -4.863 -4.863 311 HA LEU 45 HA LEU 45 4.141 -6.742 -6.742 312 1HB LEU 45 2HB LEU 45 3.634 -4.415 -4.415 313 2HB LEU 45 1HB LEU 45 2.415 -4.842 -4.842 314 HG LEU 45 HG LEU 45 3.587 -6.756 -6.756 315 1HD1 LEU 45 2HD1 LEU 45 1.914 -4.760 -4.760 316 2HD1 LEU 45 1HD1 LEU 45 0.727 -5.898 -5.898 317 3HD1 LEU 45 3HD1 LEU 45 1.754 -6.359 -6.359 318 1HD2 LEU 45 2HD2 LEU 45 2.410 -7.309 -7.309 319 2HD2 LEU 45 1HD2 LEU 45 2.461 -8.413 -8.413 320 3HD2 LEU 45 3HD2 LEU 45 1.047 -7.395 -7.395 321 HA PRO 46 HA PRO 46 4.510 -4.196 -4.196 322 1HB PRO 46 2HB PRO 46 2.032 -4.495 -4.495 323 2HB PRO 46 1HB PRO 46 3.264 -5.772 -5.772 324 1HG PRO 46 2HG PRO 46 0.862 -5.473 -5.473 325 2HG PRO 46 1HG PRO 46 1.615 -6.935 -6.935 326 1HD PRO 46 2HD PRO 46 1.898 -6.066 -6.066 327 2HD PRO 46 1HD PRO 46 3.044 -7.133 -7.133 328 H VAL 47 H VAL 47 3.525 -2.228 -2.228 329 HA VAL 47 HA VAL 47 2.818 -0.221 -0.221 330 HB VAL 47 HB VAL 47 2.885 -0.448 -0.448 331 1HG1 VAL 47 3HG1 VAL 47 2.148 1.994 1.994 332 2HG1 VAL 47 2HG1 VAL 47 2.485 2.003 2.003 333 3HG1 VAL 47 1HG1 VAL 47 1.081 1.134 1.134 334 1HG2 VAL 47 3HG2 VAL 47 4.854 -0.105 -0.105 335 2HG2 VAL 47 2HG2 VAL 47 4.965 0.467 0.467 336 3HG2 VAL 47 1HG2 VAL 47 4.459 1.570 1.570 337 H ASP 48 H ASP 48 0.925 -2.648 -2.648 338 HA ASP 48 HA ASP 48 -1.565 -1.166 -1.166 339 1HB ASP 48 2HB ASP 48 -0.528 -3.904 -3.904 340 2HB ASP 48 1HB ASP 48 -2.184 -3.819 -3.819 341 H ILE 49 H ILE 49 -0.024 -3.229 -3.229 342 HA ILE 49 HA ILE 49 -2.165 -3.197 -3.197 343 HB ILE 49 HB ILE 49 0.822 -3.333 -3.333 344 1HG1 ILE 49 2HG1 ILE 49 0.398 -4.890 -4.890 345 2HG1 ILE 49 1HG1 ILE 49 0.492 -5.826 -5.826 346 1HG2 ILE 49 3HG2 ILE 49 -1.357 -3.436 -3.436 347 2HG2 ILE 49 2HG2 ILE 49 -0.963 -5.135 -5.135 348 3HG2 ILE 49 1HG2 ILE 49 0.265 -4.031 -4.031 349 1HD1 ILE 49 3HD1 ILE 49 -2.120 -4.839 -4.839 350 2HD1 ILE 49 2HD1 ILE 49 -1.446 -6.431 -6.431 351 3HD1 ILE 49 1HD1 ILE 49 -1.898 -6.004 -6.004 352 H LEU 50 H LEU 50 0.735 -1.251 -1.251 353 HA LEU 50 HA LEU 50 0.341 0.568 0.568 354 1HB LEU 50 2HB LEU 50 1.713 1.134 1.134 355 2HB LEU 50 1HB LEU 50 2.148 1.746 1.746 356 HG LEU 50 HG LEU 50 2.573 -1.005 -1.005 357 1HD1 LEU 50 3HD1 LEU 50 4.271 1.021 1.021 358 2HD1 LEU 50 2HD1 LEU 50 4.824 -0.605 -0.605 359 3HD1 LEU 50 1HD1 LEU 50 4.416 0.532 0.532 360 1HD2 LEU 50 1HD2 LEU 50 1.825 -0.345 -0.345 361 2HD2 LEU 50 3HD2 LEU 50 1.929 -1.920 -1.920 362 3HD2 LEU 50 2HD2 LEU 50 3.376 -1.174 -1.174 363 H GLY 51 H GLY 51 -1.183 0.229 0.229 364 1HA GLY 51 2HA GLY 51 -2.108 3.036 3.036 365 2HA GLY 51 1HA GLY 51 -2.497 1.789 1.789 366 H ARG 52 H ARG 52 -3.226 -0.160 -0.160 367 HA ARG 52 HA ARG 52 -5.988 0.794 0.794 368 1HB ARG 52 2HB ARG 52 -4.683 -1.633 -1.633 369 2HB ARG 52 1HB ARG 52 -5.387 -1.864 -1.864 370 1HG ARG 52 2HG ARG 52 -7.562 -1.050 -1.050 371 2HG ARG 52 1HG ARG 52 -6.857 -0.866 -0.866 372 1HD ARG 52 2HD ARG 52 -6.307 -3.520 -3.520 373 2HD ARG 52 1HD ARG 52 -8.052 -3.192 -3.192 374 HE ARG 52 HE ARG 52 -7.658 -2.377 -2.377 375 1HH1 ARG 52 1HH2 ARG 52 -6.693 -5.295 -5.295 376 2HH1 ARG 52 2HH2 ARG 52 -5.717 -5.791 -5.791 377 1HH2 ARG 52 2HH1 ARG 52 -5.946 -2.742 -2.742 378 2HH2 ARG 52 1HH1 ARG 52 -5.293 -4.345 -4.345 379 H VAL 53 H VAL 53 -3.434 -0.875 -0.875 380 HA VAL 53 HA VAL 53 -4.509 -0.671 -0.671 381 HB VAL 53 HB VAL 53 -1.686 -0.370 -0.370 382 1HG1 VAL 53 3HG1 VAL 53 -2.577 0.371 0.371 383 2HG1 VAL 53 2HG1 VAL 53 -1.835 -1.218 -1.218 384 3HG1 VAL 53 1HG1 VAL 53 -0.910 0.109 0.109 385 1HG2 VAL 53 1HG2 VAL 53 -3.000 -2.535 -2.535 386 2HG2 VAL 53 3HG2 VAL 53 -1.479 -2.681 -2.681 387 3HG2 VAL 53 2HG2 VAL 53 -3.010 -2.639 -2.639 388 H TRP 54 H TRP 54 -2.811 1.840 1.840 389 HA TRP 54 HA TRP 54 -2.792 3.838 3.838 390 1HB TRP 54 2HB TRP 54 -1.378 4.009 4.009 391 2HB TRP 54 1HB TRP 54 -2.783 3.971 3.971 392 HD1 TRP 54 HD1 TRP 54 -4.452 6.094 6.094 393 HE1 TRP 54 HE1 TRP 54 -4.011 8.554 8.554 394 HE3 TRP 54 HE3 TRP 54 0.030 5.603 5.603 395 HZ2 TRP 54 HZ2 TRP 54 -2.011 10.111 10.111 396 HZ3 TRP 54 HZ3 TRP 54 1.181 7.590 7.590 397 HH2 TRP 54 HH2 TRP 54 0.168 9.842 9.842 398 H GLU 55 H GLU 55 -4.901 3.617 3.617 399 HA GLU 55 HA GLU 55 -6.759 5.591 5.591 400 1HB GLU 55 2HB GLU 55 -7.193 2.779 2.779 401 2HB GLU 55 1HB GLU 55 -8.360 4.090 4.090 402 1HG GLU 55 2HG GLU 55 -5.586 4.695 4.695 403 2HG GLU 55 1HG GLU 55 -6.478 3.545 3.545 404 H LEU 56 H LEU 56 -7.033 2.198 2.198 405 HA LEU 56 HA LEU 56 -9.263 2.697 2.697 406 1HB LEU 56 2HB LEU 56 -7.194 0.473 0.473 407 2HB LEU 56 1HB LEU 56 -8.800 0.391 0.391 408 HG LEU 56 HG LEU 56 -8.817 1.236 1.236 409 1HD1 LEU 56 1HD1 LEU 56 -6.896 -0.453 -0.453 410 2HD1 LEU 56 3HD1 LEU 56 -8.118 -1.643 -1.643 411 3HD1 LEU 56 2HD1 LEU 56 -8.189 -0.850 -0.850 412 1HD2 LEU 56 2HD2 LEU 56 -10.384 -0.355 -0.355 413 2HD2 LEU 56 1HD2 LEU 56 -10.938 0.624 0.624 414 3HD2 LEU 56 3HD2 LEU 56 -10.379 -1.027 -1.027 415 H SER 57 H SER 57 -5.952 3.432 3.432 416 HA SER 57 HA SER 57 -5.851 3.340 3.340 417 1HB SER 57 2HB SER 57 -3.916 2.431 2.431 418 2HB SER 57 1HB SER 57 -3.908 3.595 3.595 419 HG SER 57 HG SER 57 -3.467 4.217 4.217 420 H ASP 58 H ASP 58 -5.783 5.598 5.598 421 HA ASP 58 HA ASP 58 -5.153 7.924 7.924 422 1HB ASP 58 2HB ASP 58 -4.706 7.390 7.390 423 2HB ASP 58 1HB ASP 58 -6.355 7.971 7.971 424 H ILE 59 H ILE 59 -6.994 7.478 7.478 425 HA ILE 59 HA ILE 59 -9.705 7.474 7.474 426 HB ILE 59 HB ILE 59 -8.157 9.018 9.018 427 1HG1 ILE 59 2HG1 ILE 59 -7.686 6.570 6.570 428 2HG1 ILE 59 1HG1 ILE 59 -8.500 7.021 7.021 429 1HG2 ILE 59 2HG2 ILE 59 -11.052 8.113 8.113 430 2HG2 ILE 59 1HG2 ILE 59 -10.241 8.840 8.840 431 3HG2 ILE 59 3HG2 ILE 59 -10.487 9.782 9.782 432 1HD1 ILE 59 1HD1 ILE 59 -10.691 6.448 6.448 433 2HD1 ILE 59 3HD1 ILE 59 -9.685 5.680 5.680 434 3HD1 ILE 59 2HD1 ILE 59 -9.651 5.090 5.090 435 H ASP 60 H ASP 60 -7.463 10.195 10.195 436 HA ASP 60 HA ASP 60 -9.681 12.074 12.074 437 1HB ASP 60 2HB ASP 60 -6.689 12.527 12.527 438 2HB ASP 60 1HB ASP 60 -7.956 13.752 13.752 439 H HIS 61 H HIS 61 -7.189 10.221 10.221 440 HA HIS 61 HA HIS 61 -6.626 10.051 10.051 441 1HB HIS 61 2HB HIS 61 -9.338 11.411 11.411 442 2HB HIS 61 1HB HIS 61 -8.522 10.603 10.603 443 HD1 HIS 61 HD1 HIS 61 -8.405 8.013 8.013 444 HD2 HIS 61 HD2 HIS 61 -10.435 9.653 9.653 445 HE1 HIS 61 HE1 HIS 61 -9.590 6.092 6.092 446 H ASP 62 H ASP 62 -5.420 12.182 12.182 447 HA ASP 62 HA ASP 62 -5.651 14.443 14.443 448 1HB ASP 62 2HB ASP 62 -5.187 15.889 15.889 449 2HB ASP 62 1HB ASP 62 -6.272 14.674 14.674 450 H GLY 63 H GLY 63 -3.784 11.827 11.827 451 1HA GLY 63 2HA GLY 63 -1.669 11.446 11.446 452 2HA GLY 63 1HA GLY 63 -1.369 13.183 13.183 453 H MET 64 H MET 64 -2.580 12.138 12.138 454 HA MET 64 HA MET 64 0.141 11.604 11.604 455 1HB MET 64 2HB MET 64 -1.619 13.949 13.949 456 2HB MET 64 1HB MET 64 -0.951 13.309 13.309 457 1HG MET 64 2HG MET 64 1.299 13.423 13.423 458 2HG MET 64 1HG MET 64 0.669 13.965 13.965 459 1HE MET 64 1HE MET 64 2.830 15.208 15.208 460 2HE MET 64 3HE MET 64 2.682 16.831 16.831 461 3HE MET 64 2HE MET 64 2.678 15.414 15.414 462 H LEU 65 H LEU 65 0.041 10.693 10.693 463 HA LEU 65 HA LEU 65 -2.626 9.491 9.491 464 1HB LEU 65 2HB LEU 65 0.151 8.249 8.249 465 2HB LEU 65 1HB LEU 65 -1.299 7.451 7.451 466 HG LEU 65 HG LEU 65 -1.169 8.538 8.538 467 1HD1 LEU 65 1HD1 LEU 65 0.262 6.256 6.256 468 2HD1 LEU 65 3HD1 LEU 65 -0.836 5.773 5.773 469 3HD1 LEU 65 2HD1 LEU 65 0.409 6.983 6.983 470 1HD2 LEU 65 1HD2 LEU 65 -2.876 6.590 6.590 471 2HD2 LEU 65 3HD2 LEU 65 -3.383 7.993 7.993 472 3HD2 LEU 65 2HD2 LEU 65 -2.820 6.537 6.537 473 H ASP 66 H ASP 66 -3.160 10.202 10.202 474 HA ASP 66 HA ASP 66 -1.115 11.350 11.350 475 1HB ASP 66 2HB ASP 66 -3.012 11.905 11.905 476 2HB ASP 66 1HB ASP 66 -3.521 12.119 12.119 477 H ARG 67 H ARG 67 -0.946 10.562 10.562 478 HA ARG 67 HA ARG 67 0.161 8.110 8.110 479 1HB ARG 67 2HB ARG 67 -0.727 8.310 8.310 480 2HB ARG 67 1HB ARG 67 0.019 9.780 9.780 481 1HG ARG 67 2HG ARG 67 -2.517 10.195 10.195 482 2HG ARG 67 1HG ARG 67 -2.839 9.218 9.218 483 1HD ARG 67 2HD ARG 67 -1.300 10.789 10.789 484 2HD ARG 67 1HD ARG 67 -1.329 11.845 11.845 485 HE ARG 67 HE ARG 67 -4.000 11.283 11.283 486 1HH1 ARG 67 1HH2 ARG 67 -3.051 10.998 10.998 487 2HH1 ARG 67 2HH2 ARG 67 -3.345 12.599 12.599 488 1HH2 ARG 67 2HH1 ARG 67 -3.683 13.998 13.998 489 2HH2 ARG 67 1HH1 ARG 67 -3.702 14.295 14.295 490 H ASP 68 H ASP 68 -3.358 8.678 8.678 491 HA ASP 68 HA ASP 68 -3.929 5.842 5.842 492 1HB ASP 68 2HB ASP 68 -5.617 8.293 8.293 493 2HB ASP 68 1HB ASP 68 -6.286 6.718 6.718 494 H GLU 69 H GLU 69 -4.013 8.087 8.087 495 HA GLU 69 HA GLU 69 -5.427 6.391 6.391 496 1HB GLU 69 2HB GLU 69 -4.754 8.951 8.951 497 2HB GLU 69 1HB GLU 69 -3.324 8.364 8.364 498 1HG GLU 69 2HG GLU 69 -4.550 7.609 7.609 499 2HG GLU 69 1HG GLU 69 -6.034 7.455 7.455 500 H PHE 70 H PHE 70 -1.950 7.089 7.089 501 HA PHE 70 HA PHE 70 -0.933 5.316 5.316 502 1HB PHE 70 2HB PHE 70 0.280 7.075 7.075 503 2HB PHE 70 1HB PHE 70 0.224 5.973 5.973 504 HD1 PHE 70 HD1 PHE 70 1.536 6.433 6.433 505 HD2 PHE 70 HD2 PHE 70 1.673 4.070 4.070 506 HE1 PHE 70 HE1 PHE 70 3.545 5.256 5.256 507 HE2 PHE 70 HE2 PHE 70 3.683 2.893 2.893 508 HZ PHE 70 HZ PHE 70 4.615 3.490 3.490 509 H ALA 71 H ALA 71 -2.237 4.745 4.745 510 HA ALA 71 HA ALA 71 -1.182 2.135 2.135 511 1HB ALA 71 1HB ALA 71 -2.706 3.960 3.960 512 2HB ALA 71 3HB ALA 71 -3.953 2.805 2.805 513 3HB ALA 71 2HB ALA 71 -2.584 2.276 2.276 514 H VAL 72 H VAL 72 -4.230 3.172 3.172 515 HA VAL 72 HA VAL 72 -5.280 0.589 0.589 516 HB VAL 72 HB VAL 72 -5.519 3.224 3.224 517 1HG1 VAL 72 1HG1 VAL 72 -6.928 0.595 0.595 518 2HG1 VAL 72 3HG1 VAL 72 -7.882 2.067 2.067 519 3HG1 VAL 72 2HG1 VAL 72 -6.511 1.757 1.757 520 1HG2 VAL 72 2HG2 VAL 72 -6.098 3.094 3.094 521 2HG2 VAL 72 1HG2 VAL 72 -7.353 3.712 3.712 522 3HG2 VAL 72 3HG2 VAL 72 -7.435 2.050 2.050 523 H ALA 73 H ALA 73 -2.737 2.431 2.431 524 HA ALA 73 HA ALA 73 -2.743 0.775 0.775 525 1HB ALA 73 3HB ALA 73 -1.735 3.306 3.306 526 2HB ALA 73 2HB ALA 73 -0.426 2.378 2.378 527 3HB ALA 73 1HB ALA 73 -1.894 2.731 2.731 528 H MET 74 H MET 74 -1.449 0.389 0.389 529 HA MET 74 HA MET 74 1.000 -0.958 -0.958 530 1HB MET 74 2HB MET 74 -0.077 -0.806 -0.806 531 2HB MET 74 1HB MET 74 1.588 -1.085 -1.085 532 1HG MET 74 2HG MET 74 0.052 1.462 1.462 533 2HG MET 74 1HG MET 74 1.740 1.153 1.153 534 1HE MET 74 2HE MET 74 2.834 -0.272 -0.272 535 2HE MET 74 1HE MET 74 2.663 0.016 0.016 536 3HE MET 74 3HE MET 74 3.723 1.046 1.046 537 H PHE 75 H PHE 75 -2.038 -1.837 -1.837 538 HA PHE 75 HA PHE 75 -1.355 -4.676 -4.676 539 1HB PHE 75 2HB PHE 75 -3.376 -4.905 -4.905 540 2HB PHE 75 1HB PHE 75 -2.964 -3.232 -3.232 541 HD1 PHE 75 HD1 PHE 75 -4.979 -5.388 -5.388 542 HD2 PHE 75 HD2 PHE 75 -4.339 -1.436 -1.436 543 HE1 PHE 75 HE1 PHE 75 -7.097 -4.636 -4.636 544 HE2 PHE 75 HE2 PHE 75 -6.454 -0.688 -0.688 545 HZ PHE 75 HZ PHE 75 -7.837 -2.283 -2.283 546 H LEU 76 H LEU 76 -2.787 -2.379 -2.379 547 HA LEU 76 HA LEU 76 -4.174 -4.278 -4.278 548 1HB LEU 76 2HB LEU 76 -3.319 -1.402 -1.402 549 2HB LEU 76 1HB LEU 76 -3.840 -2.156 -2.156 550 HG LEU 76 HG LEU 76 -5.450 -2.130 -2.130 551 1HD1 LEU 76 1HD1 LEU 76 -5.139 -0.184 -0.184 552 2HD1 LEU 76 3HD1 LEU 76 -6.803 -0.763 -0.763 553 3HD1 LEU 76 2HD1 LEU 76 -6.039 -0.045 -0.045 554 1HD2 LEU 76 3HD2 LEU 76 -5.784 -3.371 -3.371 555 2HD2 LEU 76 2HD2 LEU 76 -6.246 -3.994 -3.994 556 3HD2 LEU 76 1HD2 LEU 76 -7.222 -2.747 -2.747 557 H VAL 77 H VAL 77 -0.932 -3.013 -3.013 558 HA VAL 77 HA VAL 77 -0.044 -4.191 -4.191 559 HB VAL 77 HB VAL 77 1.173 -2.482 -2.482 560 1HG1 VAL 77 1HG1 VAL 77 2.486 -4.077 -4.077 561 2HG1 VAL 77 3HG1 VAL 77 3.023 -2.404 -2.404 562 3HG1 VAL 77 2HG1 VAL 77 3.140 -3.496 -3.496 563 1HG2 VAL 77 1HG2 VAL 77 -0.236 -1.995 -1.995 564 2HG2 VAL 77 3HG2 VAL 77 0.411 -0.816 -0.816 565 3HG2 VAL 77 2HG2 VAL 77 1.419 -1.412 -1.412 566 H TYR 78 H TYR 78 0.938 -4.379 -4.379 567 HA TYR 78 HA TYR 78 2.664 -6.579 -6.579 568 1HB TYR 78 2HB TYR 78 1.070 -5.205 -5.205 569 2HB TYR 78 1HB TYR 78 1.432 -6.884 -6.884 570 HD1 TYR 78 HD2 TYR 78 3.999 -7.500 -7.500 571 HD2 TYR 78 HD1 TYR 78 2.590 -3.708 -3.708 572 HE1 TYR 78 HE2 TYR 78 6.322 -6.864 -6.864 573 HE2 TYR 78 HE1 TYR 78 4.913 -3.073 -3.073 574 HH TYR 78 HH TYR 78 7.023 -3.994 -3.994 575 H CYS 79 H CYS 79 -0.781 -6.522 -6.522 576 HA CYS 79 HA CYS 79 -1.125 -9.385 -9.385 577 1HB CYS 79 2HB CYS 79 -2.825 -7.055 -7.055 578 2HB CYS 79 1HB CYS 79 -3.470 -8.691 -8.691 579 HG CYS 79 HG CYS 79 -2.603 -8.762 -8.762 580 H ALA 80 H ALA 80 -0.308 -7.432 -7.432 581 HA ALA 80 HA ALA 80 -1.272 -9.377 -9.377 582 1HB ALA 80 1HB ALA 80 0.004 -6.686 -6.686 583 2HB ALA 80 3HB ALA 80 0.286 -7.649 -7.649 584 3HB ALA 80 2HB ALA 80 -1.361 -7.248 -7.248 585 H LEU 81 H LEU 81 1.455 -8.984 -8.984 586 HA LEU 81 HA LEU 81 3.350 -10.297 -10.297 587 1HB LEU 81 2HB LEU 81 3.436 -9.353 -9.353 588 2HB LEU 81 1HB LEU 81 4.801 -10.150 -10.150 589 HG LEU 81 HG LEU 81 4.391 -8.358 -8.358 590 1HD1 LEU 81 3HD1 LEU 81 2.828 -7.400 -7.400 591 2HD1 LEU 81 2HD1 LEU 81 3.697 -6.208 -6.208 592 3HD1 LEU 81 1HD1 LEU 81 2.481 -7.246 -7.246 593 1HD2 LEU 81 1HD2 LEU 81 5.667 -7.879 -7.879 594 2HD2 LEU 81 3HD2 LEU 81 6.455 -8.390 -8.390 595 3HD2 LEU 81 2HD2 LEU 81 5.840 -6.744 -6.744 596 H GLU 82 H GLU 82 1.628 -10.991 -10.991 597 HA GLU 82 HA GLU 82 2.626 -13.676 -13.676 598 1HB GLU 82 2HB GLU 82 0.709 -13.826 -13.826 599 2HB GLU 82 1HB GLU 82 1.810 -12.478 -12.478 600 1HG GLU 82 2HG GLU 82 -0.072 -11.214 -11.214 601 2HG GLU 82 1HG GLU 82 -0.045 -11.363 -11.363 602 H LYS 83 H LYS 83 -0.542 -12.428 -12.428 603 HA LYS 83 HA LYS 83 -0.781 -14.301 -14.301 604 1HB LYS 83 2HB LYS 83 -0.898 -15.533 -15.533 605 2HB LYS 83 1HB LYS 83 -2.606 -15.253 -15.253 606 1HG LYS 83 2HG LYS 83 -2.632 -16.662 -16.662 607 2HG LYS 83 1HG LYS 83 -0.958 -16.307 -16.307 608 1HD LYS 83 2HD LYS 83 -0.385 -17.547 -17.547 609 2HD LYS 83 1HD LYS 83 -2.008 -18.219 -18.219 610 1HE LYS 83 2HE LYS 83 -0.139 -18.294 -18.294 611 2HE LYS 83 1HE LYS 83 -0.014 -19.525 -19.525 612 1HZ LYS 83 2HZ LYS 83 -2.493 -19.753 -19.753 613 2HZ LYS 83 1HZ LYS 83 -2.399 -18.826 -18.826 614 3HZ LYS 83 3HZ LYS 83 -1.610 -20.324 -20.324 615 H GLU 84 H GLU 84 -2.371 -12.241 -12.241 616 HA GLU 84 HA GLU 84 -4.958 -12.199 -12.199 617 1HB GLU 84 2HB GLU 84 -3.551 -10.607 -10.607 618 2HB GLU 84 1HB GLU 84 -5.167 -10.165 -10.165 619 1HG GLU 84 2HG GLU 84 -4.903 -13.031 -13.031 620 2HG GLU 84 1HG GLU 84 -4.601 -12.037 -12.037 621 HA PRO 85 HA PRO 85 -3.404 -9.364 -9.364 622 1HB PRO 85 2HB PRO 85 -5.684 -9.430 -9.430 623 2HB PRO 85 1HB PRO 85 -4.436 -10.690 -10.690 624 1HG PRO 85 2HG PRO 85 -7.041 -10.689 -10.689 625 2HG PRO 85 1HG PRO 85 -6.248 -11.996 -11.996 626 1HD PRO 85 2HD PRO 85 -6.214 -11.832 -11.832 627 2HD PRO 85 1HD PRO 85 -4.894 -12.563 -12.563 628 H VAL 86 H VAL 86 -4.920 -7.431 -7.431 629 HA VAL 86 HA VAL 86 -6.282 -6.060 -6.060 630 HB VAL 86 HB VAL 86 -4.321 -5.049 -5.049 631 1HG1 VAL 86 3HG1 VAL 86 -6.321 -3.505 -3.505 632 2HG1 VAL 86 2HG1 VAL 86 -5.674 -3.377 -3.377 633 3HG1 VAL 86 1HG1 VAL 86 -4.717 -2.827 -2.827 634 1HG2 VAL 86 2HG2 VAL 86 -3.625 -6.236 -6.236 635 2HG2 VAL 86 1HG2 VAL 86 -2.862 -4.697 -4.697 636 3HG2 VAL 86 3HG2 VAL 86 -4.170 -4.754 -4.754 637 HA PRO 87 HA PRO 87 -9.387 -5.733 -5.733 638 1HB PRO 87 2HB PRO 87 -11.438 -5.085 -5.085 639 2HB PRO 87 1HB PRO 87 -10.858 -6.748 -6.748 640 1HG PRO 87 2HG PRO 87 -10.459 -4.888 -4.888 641 2HG PRO 87 1HG PRO 87 -10.464 -6.655 -6.655 642 1HD PRO 87 2HD PRO 87 -8.205 -4.973 -4.973 643 2HD PRO 87 1HD PRO 87 -8.217 -6.729 -6.729 644 H MET 88 H MET 88 -11.081 -3.845 -3.845 645 HA MET 88 HA MET 88 -9.642 -1.269 -1.269 646 1HB MET 88 2HB MET 88 -11.754 -2.196 -2.196 647 2HB MET 88 1HB MET 88 -11.189 -0.530 -0.530 648 1HG MET 88 2HG MET 88 -8.888 -1.275 -1.275 649 2HG MET 88 1HG MET 88 -9.442 -2.946 -2.946 650 1HE MET 88 2HE MET 88 -8.837 0.210 0.210 651 2HE MET 88 1HE MET 88 -8.412 -0.310 -0.310 652 3HE MET 88 3HE MET 88 -9.889 0.621 0.621 653 H SER 89 H SER 89 -11.816 -2.846 -2.846 654 HA SER 89 HA SER 89 -13.681 -0.524 -0.524 655 1HB SER 89 2HB SER 89 -13.956 -3.457 -3.457 656 2HB SER 89 1HB SER 89 -15.188 -2.246 -2.246 657 HG SER 89 HG SER 89 -14.106 -2.872 -2.872 658 H LEU 90 H LEU 90 -12.826 0.726 0.726 659 HA LEU 90 HA LEU 90 -11.536 -0.437 -0.437 660 1HB LEU 90 2HB LEU 90 -10.497 1.545 1.545 661 2HB LEU 90 1HB LEU 90 -11.833 2.130 2.130 662 HG LEU 90 HG LEU 90 -13.047 2.813 2.813 663 1HD1 LEU 90 1HD1 LEU 90 -11.725 0.877 0.877 664 2HD1 LEU 90 3HD1 LEU 90 -10.724 2.254 2.254 665 3HD1 LEU 90 2HD1 LEU 90 -12.447 2.255 2.255 666 1HD2 LEU 90 2HD2 LEU 90 -11.142 4.218 4.218 667 2HD2 LEU 90 1HD2 LEU 90 -11.710 4.684 4.684 668 3HD2 LEU 90 3HD2 LEU 90 -10.212 3.769 3.769 669 HA PRO 91 HA PRO 91 -15.673 -0.845 -0.845 670 1HB PRO 91 2HB PRO 91 -14.832 -2.288 -2.288 671 2HB PRO 91 1HB PRO 91 -15.113 -3.013 -3.013 672 1HG PRO 91 2HG PRO 91 -12.544 -2.141 -2.141 673 2HG PRO 91 1HG PRO 91 -12.906 -3.614 -3.614 674 1HD PRO 91 2HD PRO 91 -11.637 -1.528 -1.528 675 2HD PRO 91 1HD PRO 91 -12.779 -2.537 -2.537 676 HA PRO 92 HA PRO 92 -15.479 2.400 2.400 677 1HB PRO 92 2HB PRO 92 -17.618 1.811 1.811 678 2HB PRO 92 1HB PRO 92 -17.795 2.451 2.451 679 1HG PRO 92 2HG PRO 92 -18.054 -0.348 -0.348 680 2HG PRO 92 1HG PRO 92 -19.002 0.512 0.512 681 1HD PRO 92 2HD PRO 92 -17.035 -1.276 -1.276 682 2HD PRO 92 1HD PRO 92 -17.489 0.078 0.078 683 H ALA 93 H ALA 93 -15.183 -0.888 -0.888 684 HA ALA 93 HA ALA 93 -14.703 -0.434 -0.434 685 1HB ALA 93 1HB ALA 93 -15.264 -2.583 -2.583 686 2HB ALA 93 3HB ALA 93 -13.506 -2.704 -2.704 687 3HB ALA 93 2HB ALA 93 -14.331 -2.735 -2.735 688 H LEU 94 H LEU 94 -13.027 0.364 0.364 689 HA LEU 94 HA LEU 94 -10.317 0.059 0.059 690 1HB LEU 94 2HB LEU 94 -11.606 0.264 0.264 691 2HB LEU 94 1HB LEU 94 -10.474 1.609 1.609 692 HG LEU 94 HG LEU 94 -8.640 0.120 0.120 693 1HD1 LEU 94 3HD1 LEU 94 -10.810 -1.631 -1.631 694 2HD1 LEU 94 2HD1 LEU 94 -9.702 -2.462 -2.462 695 3HD1 LEU 94 1HD1 LEU 94 -9.094 -1.736 -1.736 696 1HD2 LEU 94 2HD2 LEU 94 -10.233 -0.052 -0.052 697 2HD2 LEU 94 1HD2 LEU 94 -8.492 -0.276 -0.276 698 3HD2 LEU 94 3HD2 LEU 94 -9.579 -1.654 -1.654 699 H VAL 95 H VAL 95 -12.756 2.529 2.529 700 HA VAL 95 HA VAL 95 -11.072 4.841 4.841 701 HB VAL 95 HB VAL 95 -14.017 4.425 4.425 702 1HG1 VAL 95 3HG1 VAL 95 -12.974 6.569 6.569 703 2HG1 VAL 95 2HG1 VAL 95 -12.537 6.928 6.928 704 3HG1 VAL 95 1HG1 VAL 95 -14.235 6.801 6.801 705 1HG2 VAL 95 3HG2 VAL 95 -12.806 3.858 3.858 706 2HG2 VAL 95 2HG2 VAL 95 -14.437 4.521 4.521 707 3HG2 VAL 95 1HG2 VAL 95 -13.070 5.589 5.589 708 HA PRO 96 HA PRO 96 -10.408 4.657 4.657 709 1HB PRO 96 2HB PRO 96 -9.438 7.203 7.203 710 2HB PRO 96 1HB PRO 96 -8.479 5.879 5.879 711 1HG PRO 96 2HG PRO 96 -9.935 8.079 8.079 712 2HG PRO 96 1HG PRO 96 -8.366 7.354 7.354 713 1HD PRO 96 2HD PRO 96 -10.656 6.761 6.761 714 2HD PRO 96 1HD PRO 96 -9.299 5.626 5.626 715 HA PRO 97 HA PRO 97 -13.803 6.724 6.724 716 1HB PRO 97 2HB PRO 97 -12.781 7.743 7.743 717 2HB PRO 97 1HB PRO 97 -13.054 6.008 6.008 718 1HG PRO 97 2HG PRO 97 -10.527 7.570 7.570 719 2HG PRO 97 1HG PRO 97 -10.810 5.940 5.940 720 1HD PRO 97 2HD PRO 97 -9.721 6.445 6.445 721 2HD PRO 97 1HD PRO 97 -10.635 4.972 4.972 722 H SER 98 H SER 98 -11.085 8.560 8.560 723 HA SER 98 HA SER 98 -12.016 11.183 11.183 724 1HB SER 98 2HB SER 98 -10.232 11.882 11.882 725 2HB SER 98 1HB SER 98 -9.672 10.746 10.746 726 HG SER 98 HG SER 98 -10.386 10.247 10.247 727 H LYS 99 H LYS 99 -12.608 9.083 9.083 728 HA LYS 99 HA LYS 99 -13.870 11.232 11.232 729 1HB LYS 99 2HB LYS 99 -12.955 8.432 8.432 730 2HB LYS 99 1HB LYS 99 -14.389 8.850 8.850 731 1HG LYS 99 2HG LYS 99 -12.281 10.901 10.901 732 2HG LYS 99 1HG LYS 99 -11.797 9.354 9.354 733 1HD LYS 99 2HD LYS 99 -14.279 10.936 10.936 734 2HD LYS 99 1HD LYS 99 -12.826 10.773 10.773 735 1HE LYS 99 2HE LYS 99 -13.586 8.131 8.131 736 2HE LYS 99 1HE LYS 99 -15.077 8.968 8.968 737 1HZ LYS 99 1HZ LYS 99 -12.607 9.413 9.413 738 2HZ LYS 99 3HZ LYS 99 -13.518 8.013 8.013 739 3HZ LYS 99 2HZ LYS 99 -14.224 9.543 9.543 740 H ARG 100 H ARG 100 -14.806 9.656 9.656 741 HA ARG 100 HA ARG 100 -17.359 8.510 8.510 742 1HB ARG 100 2HB ARG 100 -16.156 9.743 9.743 743 2HB ARG 100 1HB ARG 100 -17.717 8.922 8.922 744 1HG ARG 100 2HG ARG 100 -15.151 7.648 7.648 745 2HG ARG 100 1HG ARG 100 -15.782 7.443 7.443 746 1HD ARG 100 2HD ARG 100 -17.193 5.830 5.830 747 2HD ARG 100 1HD ARG 100 -17.891 6.950 6.950 748 HE ARG 100 HE ARG 100 -15.737 6.389 6.389 749 1HH1 ARG 100 1HH2 ARG 100 -14.813 4.332 4.332 750 2HH1 ARG 100 2HH2 ARG 100 -15.400 2.863 2.863 751 1HH2 ARG 100 2HH1 ARG 100 -17.598 4.464 4.464 752 2HH2 ARG 100 1HH1 ARG 100 -16.977 2.938 2.938 Start of MODEL 3 1 HA PRO 6 HA PRO 6 -13.675 -2.821 -2.821 2 1HB PRO 6 2HB PRO 6 -12.017 -4.898 -4.898 3 2HB PRO 6 1HB PRO 6 -13.029 -4.886 -4.886 4 1HG PRO 6 2HG PRO 6 -13.451 -6.288 -6.288 5 2HG PRO 6 1HG PRO 6 -13.823 -6.816 -6.816 6 1HD PRO 6 2HD PRO 6 -15.686 -5.841 -5.841 7 2HD PRO 6 1HD PRO 6 -15.860 -5.792 -5.792 8 H TRP 7 H TRP 7 -11.589 -2.240 -2.240 9 HA TRP 7 HA TRP 7 -12.060 -1.700 -1.700 10 1HB TRP 7 2HB TRP 7 -11.342 0.089 0.089 11 2HB TRP 7 1HB TRP 7 -9.950 -0.861 -0.861 12 HD1 TRP 7 HD1 TRP 7 -10.833 -0.998 -0.998 13 HE1 TRP 7 HE1 TRP 7 -9.066 0.291 0.291 14 HE3 TRP 7 HE3 TRP 7 -8.267 1.254 1.254 15 HZ2 TRP 7 HZ2 TRP 7 -6.854 2.049 2.049 16 HZ3 TRP 7 HZ3 TRP 7 -6.339 2.731 2.731 17 HH2 TRP 7 HH2 TRP 7 -5.630 3.130 3.130 18 H ALA 8 H ALA 8 -11.033 -2.849 -2.849 19 HA ALA 8 HA ALA 8 -9.787 -5.279 -5.279 20 1HB ALA 8 1HB ALA 8 -10.225 -3.367 -3.367 21 2HB ALA 8 3HB ALA 8 -8.477 -3.585 -3.585 22 3HB ALA 8 2HB ALA 8 -9.547 -4.969 -4.969 23 H VAL 9 H VAL 9 -8.275 -2.131 -2.131 24 HA VAL 9 HA VAL 9 -5.632 -3.417 -3.417 25 HB VAL 9 HB VAL 9 -6.635 -0.576 -0.576 26 1HG1 VAL 9 3HG1 VAL 9 -3.939 -1.634 -1.634 27 2HG1 VAL 9 2HG1 VAL 9 -4.072 -0.117 -0.117 28 3HG1 VAL 9 1HG1 VAL 9 -4.855 -0.290 -0.290 29 1HG2 VAL 9 1HG2 VAL 9 -4.946 -2.465 -2.465 30 2HG2 VAL 9 3HG2 VAL 9 -6.490 -1.730 -1.730 31 3HG2 VAL 9 2HG2 VAL 9 -5.037 -0.734 -0.734 32 H LYS 10 H LYS 10 -5.086 -3.929 -3.929 33 HA LYS 10 HA LYS 10 -6.653 -2.843 -2.843 34 1HB LYS 10 2HB LYS 10 -5.222 -5.228 -5.228 35 2HB LYS 10 1HB LYS 10 -4.539 -4.594 -4.594 36 1HG LYS 10 2HG LYS 10 -7.019 -4.323 -4.323 37 2HG LYS 10 1HG LYS 10 -7.370 -5.454 -5.454 38 1HD LYS 10 2HD LYS 10 -5.147 -6.163 -6.163 39 2HD LYS 10 1HD LYS 10 -6.793 -6.297 -6.297 40 1HE LYS 10 2HE LYS 10 -7.313 -7.603 -7.603 41 2HE LYS 10 1HE LYS 10 -5.551 -7.751 -7.751 42 1HZ LYS 10 3HZ LYS 10 -5.581 -8.458 -8.458 43 2HZ LYS 10 2HZ LYS 10 -7.261 -8.658 -8.658 44 3HZ LYS 10 1HZ LYS 10 -6.189 -9.581 -9.581 45 HA PRO 11 HA PRO 11 -3.519 -0.205 -0.205 46 1HB PRO 11 2HB PRO 11 -2.945 -1.105 -1.105 47 2HB PRO 11 1HB PRO 11 -4.463 -0.283 -0.283 48 1HG PRO 11 2HG PRO 11 -3.914 -3.189 -3.189 49 2HG PRO 11 1HG PRO 11 -5.332 -2.243 -2.243 50 1HD PRO 11 2HD PRO 11 -5.268 -3.833 -3.833 51 2HD PRO 11 1HD PRO 11 -6.295 -2.389 -2.389 52 H GLU 12 H GLU 12 -2.727 -3.635 -3.635 53 HA GLU 12 HA GLU 12 0.139 -3.194 -3.194 54 1HB GLU 12 2HB GLU 12 -0.434 -5.186 -5.186 55 2HB GLU 12 1HB GLU 12 -1.838 -5.404 -5.404 56 1HG GLU 12 2HG GLU 12 -0.634 -6.502 -6.502 57 2HG GLU 12 1HG GLU 12 0.870 -5.670 -5.670 58 H ASP 13 H ASP 13 -2.152 -3.592 -3.592 59 HA ASP 13 HA ASP 13 -0.077 -4.205 -4.205 60 1HB ASP 13 2HB ASP 13 -3.010 -4.143 -4.143 61 2HB ASP 13 1HB ASP 13 -2.435 -3.554 -3.554 62 H LYS 14 H LYS 14 -2.095 -1.504 -1.504 63 HA LYS 14 HA LYS 14 -1.184 0.331 0.331 64 1HB LYS 14 2HB LYS 14 -3.346 0.279 0.279 65 2HB LYS 14 1HB LYS 14 -2.339 1.085 1.085 66 1HG LYS 14 2HG LYS 14 -1.886 2.377 2.377 67 2HG LYS 14 1HG LYS 14 -3.630 2.233 2.233 68 1HD LYS 14 2HD LYS 14 -3.609 3.451 3.451 69 2HD LYS 14 1HD LYS 14 -1.885 3.178 3.178 70 1HE LYS 14 2HE LYS 14 -2.258 4.534 4.534 71 2HE LYS 14 1HE LYS 14 -3.083 5.432 5.432 72 1HZ LYS 14 1HZ LYS 14 -1.091 5.228 5.228 73 2HZ LYS 14 3HZ LYS 14 -0.295 4.406 4.406 74 3HZ LYS 14 2HZ LYS 14 -0.742 6.033 6.033 75 H ALA 15 H ALA 15 0.022 -0.822 -0.822 76 HA ALA 15 HA ALA 15 1.666 1.453 1.453 77 1HB ALA 15 2HB ALA 15 1.707 -1.513 -1.513 78 2HB ALA 15 1HB ALA 15 2.772 -0.341 -0.341 79 3HB ALA 15 3HB ALA 15 1.025 -0.220 -0.220 80 H LYS 16 H LYS 16 2.159 -1.526 -1.526 81 HA LYS 16 HA LYS 16 4.972 -1.002 -1.002 82 1HB LYS 16 2HB LYS 16 4.863 -3.102 -3.102 83 2HB LYS 16 1HB LYS 16 3.393 -3.178 -3.178 84 1HG LYS 16 2HG LYS 16 2.091 -2.400 -2.400 85 2HG LYS 16 1HG LYS 16 3.565 -2.411 -2.411 86 1HD LYS 16 2HD LYS 16 2.702 -4.872 -4.872 87 2HD LYS 16 1HD LYS 16 2.027 -4.517 -4.517 88 1HE LYS 16 2HE LYS 16 3.879 -5.442 -5.442 89 2HE LYS 16 1HE LYS 16 4.839 -4.131 -4.131 90 1HZ LYS 16 3HZ LYS 16 3.927 -6.323 -6.323 91 2HZ LYS 16 2HZ LYS 16 5.258 -6.600 -6.600 92 3HZ LYS 16 1HZ LYS 16 5.314 -5.355 -5.355 93 H TYR 17 H TYR 17 1.956 0.030 0.030 94 HA TYR 17 HA TYR 17 2.952 0.823 0.823 95 1HB TYR 17 2HB TYR 17 0.425 1.445 1.445 96 2HB TYR 17 1HB TYR 17 0.663 1.801 1.801 97 HD1 TYR 17 HD2 TYR 17 2.454 -1.067 -1.067 98 HD2 TYR 17 HD1 TYR 17 -1.629 0.229 0.229 99 HE1 TYR 17 HE2 TYR 17 1.682 -3.347 -3.347 100 HE2 TYR 17 HE1 TYR 17 -2.403 -2.052 -2.052 101 HH TYR 17 HH TYR 17 -0.129 -4.734 -4.734 102 H ASP 18 H ASP 18 2.444 2.200 2.200 103 HA ASP 18 HA ASP 18 2.797 4.984 4.984 104 1HB ASP 18 2HB ASP 18 1.756 3.654 3.654 105 2HB ASP 18 1HB ASP 18 3.337 4.097 4.097 106 H ALA 19 H ALA 19 4.927 2.349 2.349 107 HA ALA 19 HA ALA 19 7.236 4.053 4.053 108 1HB ALA 19 2HB ALA 19 6.449 1.297 1.297 109 2HB ALA 19 1HB ALA 19 7.937 1.381 1.381 110 3HB ALA 19 3HB ALA 19 7.887 2.058 2.058 111 H ILE 20 H ILE 20 5.831 2.320 2.320 112 HA ILE 20 HA ILE 20 8.026 2.839 2.839 113 HB ILE 20 HB ILE 20 5.220 1.712 1.712 114 1HG1 ILE 20 2HG1 ILE 20 7.604 0.279 0.279 115 2HG1 ILE 20 1HG1 ILE 20 7.544 0.540 0.540 116 1HG2 ILE 20 3HG2 ILE 20 5.683 3.041 3.041 117 2HG2 ILE 20 2HG2 ILE 20 7.018 1.940 1.940 118 3HG2 ILE 20 1HG2 ILE 20 5.364 1.331 1.331 119 1HD1 ILE 20 2HD1 ILE 20 4.944 -0.258 -0.258 120 2HD1 ILE 20 1HD1 ILE 20 6.027 -1.330 -1.330 121 3HD1 ILE 20 3HD1 ILE 20 6.144 -1.218 -1.218 122 H PHE 21 H PHE 21 4.990 4.250 4.250 123 HA PHE 21 HA PHE 21 4.735 6.151 6.151 124 1HB PHE 21 2HB PHE 21 2.700 5.751 5.751 125 2HB PHE 21 1HB PHE 21 3.439 5.453 5.453 126 HD1 PHE 21 HD2 PHE 21 4.379 7.475 7.475 127 HD2 PHE 21 HD1 PHE 21 1.700 7.834 7.834 128 HE1 PHE 21 HE2 PHE 21 3.797 9.773 9.773 129 HE2 PHE 21 HE1 PHE 21 1.118 10.136 10.136 130 HZ PHE 21 HZ PHE 21 2.172 11.105 11.105 131 H ASP 22 H ASP 22 6.116 6.121 6.121 132 HA ASP 22 HA ASP 22 6.858 8.972 8.972 133 1HB ASP 22 2HB ASP 22 6.108 8.225 8.225 134 2HB ASP 22 1HB ASP 22 7.027 6.720 6.720 135 H SER 23 H SER 23 8.107 6.138 6.138 136 HA SER 23 HA SER 23 10.962 6.739 6.739 137 1HB SER 23 2HB SER 23 10.695 4.453 4.453 138 2HB SER 23 1HB SER 23 9.276 4.558 4.558 139 HG SER 23 HG SER 23 11.515 3.791 3.791 140 H LEU 24 H LEU 24 8.550 7.760 7.760 141 HA LEU 24 HA LEU 24 10.412 8.303 8.303 142 1HB LEU 24 2HB LEU 24 7.447 8.777 8.777 143 2HB LEU 24 1HB LEU 24 8.494 8.233 8.233 144 HG LEU 24 HG LEU 24 7.949 6.507 6.507 145 1HD1 LEU 24 2HD1 LEU 24 6.037 7.346 7.346 146 2HD1 LEU 24 1HD1 LEU 24 6.436 5.662 5.662 147 3HD1 LEU 24 3HD1 LEU 24 5.842 6.125 6.125 148 1HD2 LEU 24 1HD2 LEU 24 8.899 6.052 6.052 149 2HD2 LEU 24 3HD2 LEU 24 9.797 5.762 5.762 150 3HD2 LEU 24 2HD2 LEU 24 8.427 4.734 4.734 151 H SER 25 H SER 25 8.917 9.673 9.673 152 HA SER 25 HA SER 25 9.104 11.912 11.912 153 1HB SER 25 2HB SER 25 9.720 12.819 12.819 154 2HB SER 25 1HB SER 25 10.243 13.525 13.525 155 HG SER 25 HG SER 25 11.520 11.646 11.646 156 HA PRO 26 HA PRO 26 4.882 12.219 12.219 157 1HB PRO 26 2HB PRO 26 3.753 12.719 12.719 158 2HB PRO 26 1HB PRO 26 4.116 11.082 11.082 159 1HG PRO 26 2HG PRO 26 5.612 12.781 12.781 160 2HG PRO 26 1HG PRO 26 5.330 11.033 11.033 161 1HD PRO 26 2HD PRO 26 7.676 12.191 12.191 162 2HD PRO 26 1HD PRO 26 7.110 10.605 10.605 163 H VAL 27 H VAL 27 3.675 14.074 14.074 164 HA VAL 27 HA VAL 27 4.902 16.635 16.635 165 HB VAL 27 HB VAL 27 3.222 16.056 16.056 166 1HG1 VAL 27 3HG1 VAL 27 3.593 18.456 18.456 167 2HG1 VAL 27 2HG1 VAL 27 5.095 18.364 18.364 168 3HG1 VAL 27 1HG1 VAL 27 3.543 18.254 18.254 169 1HG2 VAL 27 2HG2 VAL 27 5.794 15.165 15.165 170 2HG2 VAL 27 1HG2 VAL 27 5.108 15.447 15.447 171 3HG2 VAL 27 3HG2 VAL 27 6.072 16.702 16.702 172 H ASN 28 H ASN 28 3.666 17.453 17.453 173 HA ASN 28 HA ASN 28 1.761 17.945 17.945 174 1HB ASN 28 2HB ASN 28 0.407 19.411 19.411 175 2HB ASN 28 1HB ASN 28 1.758 19.283 19.283 176 1HD2 ASN 28 1HD2 ASN 28 -1.586 18.230 18.230 177 2HD2 ASN 28 2HD2 ASN 28 -1.869 17.688 17.688 178 H GLY 29 H GLY 29 2.117 15.112 15.112 179 1HA GLY 29 2HA GLY 29 0.816 13.214 13.214 180 2HA GLY 29 1HA GLY 29 -0.638 14.208 14.208 181 H PHE 30 H PHE 30 1.807 13.991 13.991 182 HA PHE 30 HA PHE 30 0.044 12.243 12.243 183 1HB PHE 30 2HB PHE 30 0.703 15.132 15.132 184 2HB PHE 30 1HB PHE 30 0.086 14.022 14.022 185 HD1 PHE 30 HD2 PHE 30 -2.144 13.012 13.012 186 HD2 PHE 30 HD1 PHE 30 -0.696 15.929 15.929 187 HE1 PHE 30 HE2 PHE 30 -4.458 13.351 13.351 188 HE2 PHE 30 HE1 PHE 30 -2.989 16.261 16.261 189 HZ PHE 30 HZ PHE 30 -4.880 14.978 14.978 190 H LEU 31 H LEU 31 1.074 11.393 11.393 191 HA LEU 31 HA LEU 31 4.028 11.898 11.898 192 1HB LEU 31 2HB LEU 31 2.409 9.343 9.343 193 2HB LEU 31 1HB LEU 31 4.080 9.463 9.463 194 HG LEU 31 HG LEU 31 3.322 10.339 10.339 195 1HD1 LEU 31 2HD1 LEU 31 2.553 7.999 7.999 196 2HD1 LEU 31 1HD1 LEU 31 4.159 7.553 7.553 197 3HD1 LEU 31 3HD1 LEU 31 3.940 8.097 8.097 198 1HD2 LEU 31 3HD2 LEU 31 5.828 9.530 9.530 199 2HD2 LEU 31 2HD2 LEU 31 5.493 11.044 11.044 200 3HD2 LEU 31 1HD2 LEU 31 5.773 9.559 9.559 201 H SER 32 H SER 32 4.575 12.594 12.594 202 HA SER 32 HA SER 32 2.599 13.032 13.032 203 1HB SER 32 2HB SER 32 4.462 13.861 13.861 204 2HB SER 32 1HB SER 32 4.766 14.270 14.270 205 HG SER 32 HG SER 32 6.422 13.078 13.078 206 H GLY 33 H GLY 33 2.014 11.826 11.826 207 1HA GLY 33 2HA GLY 33 2.299 9.055 9.055 208 2HA GLY 33 1HA GLY 33 1.979 10.040 10.040 209 H ASP 34 H ASP 34 4.565 11.524 11.524 210 HA ASP 34 HA ASP 34 6.270 9.699 9.699 211 1HB ASP 34 2HB ASP 34 6.513 12.513 12.513 212 2HB ASP 34 1HB ASP 34 7.807 11.738 11.738 213 H LYS 35 H LYS 35 5.773 10.412 10.412 214 HA LYS 35 HA LYS 35 8.490 9.588 9.588 215 1HB LYS 35 2HB LYS 35 7.418 11.439 11.439 216 2HB LYS 35 1HB LYS 35 5.941 10.505 10.505 217 1HG LYS 35 2HG LYS 35 7.080 8.987 8.987 218 2HG LYS 35 1HG LYS 35 8.627 9.779 9.779 219 1HD LYS 35 2HD LYS 35 6.195 11.048 11.048 220 2HD LYS 35 1HD LYS 35 7.695 10.613 10.613 221 1HE LYS 35 2HE LYS 35 7.372 12.689 12.689 222 2HE LYS 35 1HE LYS 35 7.770 12.997 12.997 223 1HZ LYS 35 2HZ LYS 35 9.714 11.511 11.511 224 2HZ LYS 35 1HZ LYS 35 9.384 11.453 11.453 225 3HZ LYS 35 3HZ LYS 35 9.806 12.925 12.925 226 H VAL 36 H VAL 36 5.131 8.562 8.562 227 HA VAL 36 HA VAL 36 5.676 6.001 6.001 228 HB VAL 36 HB VAL 36 3.279 7.194 7.194 229 1HG1 VAL 36 2HG1 VAL 36 3.587 4.741 4.741 230 2HG1 VAL 36 1HG1 VAL 36 2.027 5.470 5.470 231 3HG1 VAL 36 3HG1 VAL 36 3.034 4.804 4.804 232 1HG2 VAL 36 3HG2 VAL 36 4.253 7.208 7.208 233 2HG2 VAL 36 2HG2 VAL 36 3.742 8.571 8.571 234 3HG2 VAL 36 1HG2 VAL 36 2.544 7.430 7.430 235 H LYS 37 H LYS 37 5.188 7.221 7.221 236 HA LYS 37 HA LYS 37 4.528 5.056 5.056 237 1HB LYS 37 2HB LYS 37 6.090 7.474 7.474 238 2HB LYS 37 1HB LYS 37 6.784 6.192 6.192 239 1HG LYS 37 2HG LYS 37 4.719 5.830 5.830 240 2HG LYS 37 1HG LYS 37 3.826 6.829 6.829 241 1HD LYS 37 2HD LYS 37 4.169 8.578 8.578 242 2HD LYS 37 1HD LYS 37 5.881 8.483 8.483 243 1HE LYS 37 2HE LYS 37 5.773 8.339 8.339 244 2HE LYS 37 1HE LYS 37 6.052 6.679 6.679 245 1HZ LYS 37 2HZ LYS 37 3.449 6.705 6.705 246 2HZ LYS 37 1HZ LYS 37 3.591 7.904 7.904 247 3HZ LYS 37 3HZ LYS 37 4.218 6.352 6.352 248 HA PRO 38 HA PRO 38 9.054 3.349 3.349 249 1HB PRO 38 2HB PRO 38 10.548 4.102 4.102 250 2HB PRO 38 1HB PRO 38 10.615 4.937 4.937 251 1HG PRO 38 2HG PRO 38 9.077 5.646 5.646 252 2HG PRO 38 1HG PRO 38 10.020 6.693 6.693 253 1HD PRO 38 2HD PRO 38 7.362 6.593 6.593 254 2HD PRO 38 1HD PRO 38 8.357 6.744 6.744 255 H VAL 39 H VAL 39 7.313 4.037 4.037 256 HA VAL 39 HA VAL 39 8.021 1.560 1.560 257 HB VAL 39 HB VAL 39 6.084 3.840 3.840 258 1HG1 VAL 39 1HG1 VAL 39 5.761 1.118 1.118 259 2HG1 VAL 39 3HG1 VAL 39 5.633 2.434 2.434 260 3HG1 VAL 39 2HG1 VAL 39 4.564 2.391 2.391 261 1HG2 VAL 39 2HG2 VAL 39 8.653 3.212 3.212 262 2HG2 VAL 39 1HG2 VAL 39 7.622 4.530 4.530 263 3HG2 VAL 39 3HG2 VAL 39 7.595 2.977 2.977 264 H LEU 40 H LEU 40 5.840 2.377 2.377 265 HA LEU 40 HA LEU 40 4.103 0.017 0.017 266 1HB LEU 40 2HB LEU 40 4.051 2.275 2.275 267 2HB LEU 40 1HB LEU 40 2.827 1.011 1.011 268 HG LEU 40 HG LEU 40 3.549 2.994 2.994 269 1HD1 LEU 40 1HD1 LEU 40 2.149 3.785 3.785 270 2HD1 LEU 40 3HD1 LEU 40 0.927 2.620 2.620 271 3HD1 LEU 40 2HD1 LEU 40 1.385 3.945 3.945 272 1HD2 LEU 40 3HD2 LEU 40 1.563 0.701 0.701 273 2HD2 LEU 40 2HD2 LEU 40 2.977 0.840 0.840 274 3HD2 LEU 40 1HD2 LEU 40 1.614 1.940 1.940 275 H LEU 41 H LEU 41 6.723 1.129 1.129 276 HA LEU 41 HA LEU 41 6.373 -1.033 -1.033 277 1HB LEU 41 2HB LEU 41 8.613 0.970 0.970 278 2HB LEU 41 1HB LEU 41 8.296 0.037 0.037 279 HG LEU 41 HG LEU 41 6.014 1.631 1.631 280 1HD1 LEU 41 2HD1 LEU 41 8.457 2.873 2.873 281 2HD1 LEU 41 1HD1 LEU 41 7.925 3.229 3.229 282 3HD1 LEU 41 3HD1 LEU 41 6.926 3.705 3.705 283 1HD2 LEU 41 1HD2 LEU 41 7.224 0.702 0.702 284 2HD2 LEU 41 3HD2 LEU 41 5.528 0.766 0.766 285 3HD2 LEU 41 2HD2 LEU 41 6.346 2.230 2.230 286 H ASN 42 H ASN 42 8.458 -0.246 -0.246 287 HA ASN 42 HA ASN 42 10.359 -2.350 -2.350 288 1HB ASN 42 2HB ASN 42 11.110 -1.783 -1.783 289 2HB ASN 42 1HB ASN 42 10.410 -0.286 -0.286 290 1HD2 ASN 42 1HD2 ASN 42 8.046 0.069 0.069 291 2HD2 ASN 42 2HD2 ASN 42 7.528 -0.464 -0.464 292 H SER 43 H SER 43 7.070 -2.456 -2.456 293 HA SER 43 HA SER 43 7.121 -4.839 -4.839 294 1HB SER 43 2HB SER 43 4.796 -3.737 -3.737 295 2HB SER 43 1HB SER 43 4.775 -4.542 -4.542 296 HG SER 43 HG SER 43 5.078 -1.932 -1.932 297 H LYS 44 H LYS 44 7.977 -4.541 -4.541 298 HA LYS 44 HA LYS 44 8.149 -6.112 -6.112 299 1HB LYS 44 2HB LYS 44 7.688 -7.548 -7.548 300 2HB LYS 44 1HB LYS 44 6.971 -8.410 -8.410 301 1HG LYS 44 2HG LYS 44 9.261 -9.154 -9.154 302 2HG LYS 44 1HG LYS 44 9.155 -8.144 -8.144 303 1HD LYS 44 2HD LYS 44 10.045 -6.231 -6.231 304 2HD LYS 44 1HD LYS 44 10.043 -7.150 -7.150 305 1HE LYS 44 2HE LYS 44 11.480 -8.535 -8.535 306 2HE LYS 44 1HE LYS 44 12.198 -6.966 -6.966 307 1HZ LYS 44 2HZ LYS 44 11.305 -8.881 -8.881 308 2HZ LYS 44 1HZ LYS 44 12.877 -8.933 -8.933 309 3HZ LYS 44 3HZ LYS 44 12.342 -7.547 -7.547 310 H LEU 45 H LEU 45 5.488 -4.643 -4.643 311 HA LEU 45 HA LEU 45 3.513 -6.380 -6.380 312 1HB LEU 45 2HB LEU 45 3.496 -3.971 -3.971 313 2HB LEU 45 1HB LEU 45 2.107 -4.246 -4.246 314 HG LEU 45 HG LEU 45 3.242 -6.294 -6.294 315 1HD1 LEU 45 3HD1 LEU 45 1.680 -4.021 -4.021 316 2HD1 LEU 45 2HD1 LEU 45 0.542 -5.369 -5.369 317 3HD1 LEU 45 1HD1 LEU 45 1.935 -5.408 -5.408 318 1HD2 LEU 45 1HD2 LEU 45 1.773 -6.745 -6.745 319 2HD2 LEU 45 3HD2 LEU 45 1.707 -7.768 -7.768 320 3HD2 LEU 45 2HD2 LEU 45 0.492 -6.514 -6.514 321 HA PRO 46 HA PRO 46 3.865 -4.044 -4.044 322 1HB PRO 46 2HB PRO 46 1.364 -4.436 -4.436 323 2HB PRO 46 1HB PRO 46 2.619 -5.689 -5.689 324 1HG PRO 46 2HG PRO 46 0.245 -5.366 -5.366 325 2HG PRO 46 1HG PRO 46 1.044 -6.838 -6.838 326 1HD PRO 46 2HD PRO 46 1.319 -5.754 -5.754 327 2HD PRO 46 1HD PRO 46 2.453 -6.893 -6.893 328 H VAL 47 H VAL 47 2.904 -2.135 -2.135 329 HA VAL 47 HA VAL 47 2.223 -0.022 -0.022 330 HB VAL 47 HB VAL 47 2.246 -0.458 -0.458 331 1HG1 VAL 47 1HG1 VAL 47 1.434 2.055 2.055 332 2HG1 VAL 47 3HG1 VAL 47 1.870 2.015 2.015 333 3HG1 VAL 47 2HG1 VAL 47 0.450 1.136 1.136 334 1HG2 VAL 47 3HG2 VAL 47 3.912 1.016 1.016 335 2HG2 VAL 47 2HG2 VAL 47 4.425 -0.215 -0.215 336 3HG2 VAL 47 1HG2 VAL 47 4.022 1.407 1.407 337 H ASP 48 H ASP 48 0.278 -2.508 -2.508 338 HA ASP 48 HA ASP 48 -2.205 -1.010 -1.010 339 1HB ASP 48 2HB ASP 48 -1.280 -3.852 -3.852 340 2HB ASP 48 1HB ASP 48 -3.000 -3.520 -3.520 341 H ILE 49 H ILE 49 -0.650 -3.035 -3.035 342 HA ILE 49 HA ILE 49 -2.762 -2.924 -2.924 343 HB ILE 49 HB ILE 49 0.230 -3.100 -3.100 344 1HG1 ILE 49 2HG1 ILE 49 -0.263 -4.689 -4.689 345 2HG1 ILE 49 1HG1 ILE 49 -0.144 -5.589 -5.589 346 1HG2 ILE 49 3HG2 ILE 49 -2.163 -3.459 -3.459 347 2HG2 ILE 49 2HG2 ILE 49 -1.137 -4.894 -4.894 348 3HG2 ILE 49 1HG2 ILE 49 -0.478 -3.332 -3.332 349 1HD1 ILE 49 1HD1 ILE 49 -2.600 -5.552 -5.552 350 2HD1 ILE 49 3HD1 ILE 49 -2.722 -4.662 -4.662 351 3HD1 ILE 49 2HD1 ILE 49 -2.108 -6.316 -6.316 352 H LEU 50 H LEU 50 0.166 -1.042 -1.042 353 HA LEU 50 HA LEU 50 -0.098 0.823 0.823 354 1HB LEU 50 2HB LEU 50 1.070 1.350 1.350 355 2HB LEU 50 1HB LEU 50 1.607 2.008 2.008 356 HG LEU 50 HG LEU 50 2.014 -0.744 -0.744 357 1HD1 LEU 50 1HD1 LEU 50 3.740 1.072 1.072 358 2HD1 LEU 50 3HD1 LEU 50 3.807 1.097 1.097 359 3HD1 LEU 50 2HD1 LEU 50 4.294 -0.351 -0.351 360 1HD2 LEU 50 3HD2 LEU 50 1.477 -0.046 -0.046 361 2HD2 LEU 50 2HD2 LEU 50 1.308 -1.593 -1.593 362 3HD2 LEU 50 1HD2 LEU 50 2.894 -1.054 -1.054 363 H GLY 51 H GLY 51 -1.834 0.444 0.444 364 1HA GLY 51 2HA GLY 51 -2.784 3.241 3.241 365 2HA GLY 51 1HA GLY 51 -3.267 1.968 1.968 366 H ARG 52 H ARG 52 -3.806 0.051 0.051 367 HA ARG 52 HA ARG 52 -6.502 1.034 1.034 368 1HB ARG 52 2HB ARG 52 -5.200 -1.467 -1.467 369 2HB ARG 52 1HB ARG 52 -6.081 -1.621 -1.621 370 1HG ARG 52 2HG ARG 52 -8.112 -0.746 -0.746 371 2HG ARG 52 1HG ARG 52 -7.241 -0.540 -0.540 372 1HD ARG 52 2HD ARG 52 -7.279 -3.245 -3.245 373 2HD ARG 52 1HD ARG 52 -8.658 -2.721 -2.721 374 HE ARG 52 HE ARG 52 -5.873 -2.589 -2.589 375 1HH1 ARG 52 1HH2 ARG 52 -8.383 -4.749 -4.749 376 2HH1 ARG 52 2HH2 ARG 52 -8.649 -4.813 -4.813 377 1HH2 ARG 52 2HH1 ARG 52 -6.549 -2.141 -2.141 378 2HH2 ARG 52 1HH1 ARG 52 -7.609 -3.335 -3.335 379 H VAL 53 H VAL 53 -3.791 -0.702 -0.702 380 HA VAL 53 HA VAL 53 -4.633 -0.522 -0.522 381 HB VAL 53 HB VAL 53 -1.923 -0.343 -0.343 382 1HG1 VAL 53 2HG1 VAL 53 -2.630 0.232 0.232 383 2HG1 VAL 53 1HG1 VAL 53 -1.554 -1.159 -1.159 384 3HG1 VAL 53 3HG1 VAL 53 -1.067 0.387 0.387 385 1HG2 VAL 53 3HG2 VAL 53 -3.383 -2.445 -2.445 386 2HG2 VAL 53 2HG2 VAL 53 -1.759 -2.652 -2.652 387 3HG2 VAL 53 1HG2 VAL 53 -3.144 -2.541 -2.541 388 H TRP 54 H TRP 54 -2.916 1.940 1.940 389 HA TRP 54 HA TRP 54 -2.704 3.880 3.880 390 1HB TRP 54 2HB TRP 54 -1.352 4.051 4.051 391 2HB TRP 54 1HB TRP 54 -2.786 4.072 4.072 392 HD1 TRP 54 HD1 TRP 54 -4.399 6.243 6.243 393 HE1 TRP 54 HE1 TRP 54 -3.845 8.682 8.682 394 HE3 TRP 54 HE3 TRP 54 0.177 5.585 5.585 395 HZ2 TRP 54 HZ2 TRP 54 -1.728 10.165 10.165 396 HZ3 TRP 54 HZ3 TRP 54 1.439 7.523 7.523 397 HH2 TRP 54 HH2 TRP 54 0.494 9.810 9.810 398 H GLU 55 H GLU 55 -4.972 3.786 3.786 399 HA GLU 55 HA GLU 55 -6.695 5.853 5.853 400 1HB GLU 55 2HB GLU 55 -7.155 3.228 3.228 401 2HB GLU 55 1HB GLU 55 -8.414 4.453 4.453 402 1HG GLU 55 2HG GLU 55 -5.733 5.324 5.324 403 2HG GLU 55 1HG GLU 55 -6.770 4.418 4.418 404 H LEU 56 H LEU 56 -6.489 2.511 2.511 405 HA LEU 56 HA LEU 56 -8.881 2.721 2.721 406 1HB LEU 56 2HB LEU 56 -6.714 0.607 0.607 407 2HB LEU 56 1HB LEU 56 -8.287 0.382 0.382 408 HG LEU 56 HG LEU 56 -8.237 1.407 1.407 409 1HD1 LEU 56 2HD1 LEU 56 -6.636 -0.669 -0.669 410 2HD1 LEU 56 1HD1 LEU 56 -8.160 -1.555 -1.555 411 3HD1 LEU 56 3HD1 LEU 56 -7.722 -0.627 -0.627 412 1HD2 LEU 56 1HD2 LEU 56 -10.018 -0.243 -0.243 413 2HD2 LEU 56 3HD2 LEU 56 -10.413 1.203 1.203 414 3HD2 LEU 56 2HD2 LEU 56 -10.202 -0.343 -0.343 415 H SER 57 H SER 57 -5.527 3.412 3.412 416 HA SER 57 HA SER 57 -5.460 3.235 3.235 417 1HB SER 57 2HB SER 57 -3.412 3.650 3.650 418 2HB SER 57 1HB SER 57 -3.012 3.750 3.750 419 HG SER 57 HG SER 57 -4.059 1.543 1.543 420 H ASP 58 H ASP 58 -5.411 5.548 5.548 421 HA ASP 58 HA ASP 58 -4.763 7.824 7.824 422 1HB ASP 58 2HB ASP 58 -4.099 7.464 7.464 423 2HB ASP 58 1HB ASP 58 -5.775 7.845 7.845 424 H ILE 59 H ILE 59 -6.797 7.034 7.034 425 HA ILE 59 HA ILE 59 -9.448 7.209 7.209 426 HB ILE 59 HB ILE 59 -8.024 8.516 8.516 427 1HG1 ILE 59 2HG1 ILE 59 -7.537 6.109 6.109 428 2HG1 ILE 59 1HG1 ILE 59 -8.572 6.395 6.395 429 1HG2 ILE 59 2HG2 ILE 59 -10.468 9.165 9.165 430 2HG2 ILE 59 1HG2 ILE 59 -10.865 7.507 7.507 431 3HG2 ILE 59 3HG2 ILE 59 -10.100 8.586 8.586 432 1HD1 ILE 59 3HD1 ILE 59 -10.555 5.793 5.793 433 2HD1 ILE 59 2HD1 ILE 59 -9.520 5.505 5.505 434 3HD1 ILE 59 1HD1 ILE 59 -9.384 4.474 4.474 435 H ASP 60 H ASP 60 -7.150 9.866 9.866 436 HA ASP 60 HA ASP 60 -9.254 11.912 11.912 437 1HB ASP 60 2HB ASP 60 -7.456 12.509 12.509 438 2HB ASP 60 1HB ASP 60 -6.260 11.831 11.831 439 H HIS 61 H HIS 61 -6.891 10.187 10.187 440 HA HIS 61 HA HIS 61 -6.532 10.208 10.208 441 1HB HIS 61 2HB HIS 61 -9.345 11.311 11.311 442 2HB HIS 61 1HB HIS 61 -8.620 10.859 10.859 443 HD1 HIS 61 HD1 HIS 61 -8.276 8.349 8.349 444 HD2 HIS 61 HD2 HIS 61 -9.949 9.104 9.104 445 HE1 HIS 61 HE1 HIS 61 -9.100 6.122 6.122 446 H ASP 62 H ASP 62 -5.285 12.321 12.321 447 HA ASP 62 HA ASP 62 -5.884 14.670 14.670 448 1HB ASP 62 2HB ASP 62 -5.300 16.043 16.043 449 2HB ASP 62 1HB ASP 62 -6.213 14.718 14.718 450 H GLY 63 H GLY 63 -3.623 12.232 12.232 451 1HA GLY 63 2HA GLY 63 -1.712 12.062 12.062 452 2HA GLY 63 1HA GLY 63 -1.460 13.791 13.791 453 H MET 64 H MET 64 -2.394 12.306 12.306 454 HA MET 64 HA MET 64 0.401 11.689 11.689 455 1HB MET 64 2HB MET 64 -1.497 13.619 13.619 456 2HB MET 64 1HB MET 64 0.077 13.132 13.132 457 1HG MET 64 2HG MET 64 1.045 13.982 13.982 458 2HG MET 64 1HG MET 64 -0.521 14.742 14.742 459 1HE MET 64 1HE MET 64 2.653 14.764 14.764 460 2HE MET 64 3HE MET 64 2.899 16.466 16.466 461 3HE MET 64 2HE MET 64 2.843 15.242 15.242 462 H LEU 65 H LEU 65 0.452 10.476 10.476 463 HA LEU 65 HA LEU 65 -2.145 9.069 9.069 464 1HB LEU 65 2HB LEU 65 0.720 8.182 8.182 465 2HB LEU 65 1HB LEU 65 -0.371 7.248 7.248 466 HG LEU 65 HG LEU 65 -0.728 7.885 7.885 467 1HD1 LEU 65 2HD1 LEU 65 0.546 5.765 5.765 468 2HD1 LEU 65 1HD1 LEU 65 -0.953 5.115 5.115 469 3HD1 LEU 65 3HD1 LEU 65 0.230 5.873 5.873 470 1HD2 LEU 65 1HD2 LEU 65 -2.593 6.701 6.701 471 2HD2 LEU 65 3HD2 LEU 65 -2.917 7.988 7.988 472 3HD2 LEU 65 2HD2 LEU 65 -2.762 6.322 6.322 473 H ASP 66 H ASP 66 -2.786 10.078 10.078 474 HA ASP 66 HA ASP 66 -0.886 11.005 11.005 475 1HB ASP 66 2HB ASP 66 -2.944 12.115 12.115 476 2HB ASP 66 1HB ASP 66 -3.861 10.622 10.622 477 H ARG 67 H ARG 67 -1.110 10.181 10.181 478 HA ARG 67 HA ARG 67 -0.088 7.628 7.628 479 1HB ARG 67 2HB ARG 67 -0.784 7.909 7.909 480 2HB ARG 67 1HB ARG 67 -0.345 9.489 9.489 481 1HG ARG 67 2HG ARG 67 -2.778 9.867 9.867 482 2HG ARG 67 1HG ARG 67 -3.139 8.372 8.372 483 1HD ARG 67 2HD ARG 67 -3.410 10.319 10.319 484 2HD ARG 67 1HD ARG 67 -2.042 9.325 9.325 485 HE ARG 67 HE ARG 67 -0.999 11.169 11.169 486 1HH1 ARG 67 1HH2 ARG 67 -3.061 12.938 12.938 487 2HH1 ARG 67 2HH2 ARG 67 -2.120 13.628 13.628 488 1HH2 ARG 67 2HH1 ARG 67 0.434 11.297 11.297 489 2HH2 ARG 67 1HH1 ARG 67 -0.142 12.699 12.699 490 H ASP 68 H ASP 68 -3.533 8.518 8.518 491 HA ASP 68 HA ASP 68 -4.422 5.767 5.767 492 1HB ASP 68 2HB ASP 68 -5.656 7.789 7.789 493 2HB ASP 68 1HB ASP 68 -5.876 8.262 8.262 494 H GLU 69 H GLU 69 -3.918 7.864 7.864 495 HA GLU 69 HA GLU 69 -5.253 6.070 6.070 496 1HB GLU 69 2HB GLU 69 -3.212 8.256 8.256 497 2HB GLU 69 1HB GLU 69 -4.452 7.675 7.675 498 1HG GLU 69 2HG GLU 69 -6.192 8.452 8.452 499 2HG GLU 69 1HG GLU 69 -4.901 9.166 9.166 500 H PHE 70 H PHE 70 -1.910 6.811 6.811 501 HA PHE 70 HA PHE 70 -0.639 5.029 5.029 502 1HB PHE 70 2HB PHE 70 0.347 6.968 6.968 503 2HB PHE 70 1HB PHE 70 0.307 5.925 5.925 504 HD1 PHE 70 HD2 PHE 70 1.737 3.939 3.939 505 HD2 PHE 70 HD1 PHE 70 1.896 6.547 6.547 506 HE1 PHE 70 HE2 PHE 70 3.871 2.890 2.890 507 HE2 PHE 70 HE1 PHE 70 4.029 5.498 5.498 508 HZ PHE 70 HZ PHE 70 5.014 3.671 3.671 509 H ALA 71 H ALA 71 -2.132 4.606 4.606 510 HA ALA 71 HA ALA 71 -0.949 2.067 2.067 511 1HB ALA 71 1HB ALA 71 -2.468 3.851 3.851 512 2HB ALA 71 3HB ALA 71 -3.760 2.772 2.772 513 3HB ALA 71 2HB ALA 71 -2.453 2.157 2.157 514 H VAL 72 H VAL 72 -4.094 2.860 2.860 515 HA VAL 72 HA VAL 72 -5.019 0.241 0.241 516 HB VAL 72 HB VAL 72 -5.317 2.821 2.821 517 1HG1 VAL 72 3HG1 VAL 72 -7.038 0.323 0.323 518 2HG1 VAL 72 2HG1 VAL 72 -7.430 1.827 1.827 519 3HG1 VAL 72 1HG1 VAL 72 -6.035 0.877 0.877 520 1HG2 VAL 72 3HG2 VAL 72 -5.947 2.791 2.791 521 2HG2 VAL 72 2HG2 VAL 72 -7.250 3.233 3.233 522 3HG2 VAL 72 1HG2 VAL 72 -7.187 1.608 1.608 523 H ALA 73 H ALA 73 -2.479 2.056 2.056 524 HA ALA 73 HA ALA 73 -2.456 0.342 0.342 525 1HB ALA 73 3HB ALA 73 -1.608 2.938 2.938 526 2HB ALA 73 2HB ALA 73 -0.168 2.045 2.045 527 3HB ALA 73 1HB ALA 73 -1.526 2.221 2.221 528 H MET 74 H MET 74 -0.978 0.311 0.311 529 HA MET 74 HA MET 74 1.459 -1.061 -1.061 530 1HB MET 74 2HB MET 74 0.255 -0.832 -0.832 531 2HB MET 74 1HB MET 74 1.933 -1.183 -1.183 532 1HG MET 74 2HG MET 74 0.510 1.412 1.412 533 2HG MET 74 1HG MET 74 2.204 1.055 1.055 534 1HE MET 74 2HE MET 74 3.446 -0.135 -0.135 535 2HE MET 74 1HE MET 74 3.023 -0.237 -0.237 536 3HE MET 74 3HE MET 74 4.080 1.059 1.059 537 H PHE 75 H PHE 75 -1.604 -2.024 -2.024 538 HA PHE 75 HA PHE 75 -0.841 -4.851 -4.851 539 1HB PHE 75 2HB PHE 75 -2.860 -5.105 -5.105 540 2HB PHE 75 1HB PHE 75 -2.540 -3.400 -3.400 541 HD1 PHE 75 HD1 PHE 75 -4.556 -5.794 -5.794 542 HD2 PHE 75 HD2 PHE 75 -3.799 -1.650 -1.650 543 HE1 PHE 75 HE1 PHE 75 -6.663 -5.182 -5.182 544 HE2 PHE 75 HE2 PHE 75 -5.899 -1.037 -1.037 545 HZ PHE 75 HZ PHE 75 -7.333 -2.803 -2.803 546 H LEU 76 H LEU 76 -2.257 -2.577 -2.577 547 HA LEU 76 HA LEU 76 -3.563 -4.474 -4.474 548 1HB LEU 76 2HB LEU 76 -2.950 -1.578 -1.578 549 2HB LEU 76 1HB LEU 76 -3.138 -2.201 -2.201 550 HG LEU 76 HG LEU 76 -5.138 -2.762 -2.762 551 1HD1 LEU 76 2HD1 LEU 76 -4.636 -0.250 -0.250 552 2HD1 LEU 76 1HD1 LEU 76 -5.878 -0.835 -0.835 553 3HD1 LEU 76 3HD1 LEU 76 -6.195 -0.786 -0.786 554 1HD2 LEU 76 3HD2 LEU 76 -4.771 -3.917 -3.917 555 2HD2 LEU 76 2HD2 LEU 76 -6.303 -3.879 -3.879 556 3HD2 LEU 76 1HD2 LEU 76 -5.956 -2.659 -2.659 557 H VAL 77 H VAL 77 -0.393 -3.011 -3.011 558 HA VAL 77 HA VAL 77 0.554 -4.080 -4.080 559 HB VAL 77 HB VAL 77 1.718 -2.429 -2.429 560 1HG1 VAL 77 2HG1 VAL 77 3.103 -4.001 -4.001 561 2HG1 VAL 77 1HG1 VAL 77 3.422 -2.281 -2.281 562 3HG1 VAL 77 3HG1 VAL 77 3.778 -3.045 -3.045 563 1HG2 VAL 77 1HG2 VAL 77 0.175 -1.814 -1.814 564 2HG2 VAL 77 3HG2 VAL 77 1.006 -0.673 -0.673 565 3HG2 VAL 77 2HG2 VAL 77 1.817 -1.295 -1.295 566 H TYR 78 H TYR 78 0.499 -4.954 -4.954 567 HA TYR 78 HA TYR 78 2.730 -6.878 -6.878 568 1HB TYR 78 2HB TYR 78 1.206 -5.536 -5.536 569 2HB TYR 78 1HB TYR 78 1.441 -7.251 -7.251 570 HD1 TYR 78 HD2 TYR 78 3.967 -8.010 -8.010 571 HD2 TYR 78 HD1 TYR 78 2.820 -4.204 -4.204 572 HE1 TYR 78 HE2 TYR 78 6.328 -7.561 -7.561 573 HE2 TYR 78 HE1 TYR 78 5.179 -3.755 -3.755 574 HH TYR 78 HH TYR 78 7.583 -4.771 -4.771 575 H CYS 79 H CYS 79 -0.746 -6.773 -6.773 576 HA CYS 79 HA CYS 79 -1.070 -9.685 -9.685 577 1HB CYS 79 2HB CYS 79 -2.761 -7.254 -7.254 578 2HB CYS 79 1HB CYS 79 -3.459 -8.794 -8.794 579 HG CYS 79 HG CYS 79 -3.931 -9.141 -9.141 580 H ALA 80 H ALA 80 -0.449 -7.438 -7.438 581 HA ALA 80 HA ALA 80 -1.539 -9.143 -9.143 582 1HB ALA 80 1HB ALA 80 -0.510 -6.452 -6.452 583 2HB ALA 80 3HB ALA 80 0.212 -7.194 -7.194 584 3HB ALA 80 2HB ALA 80 -1.541 -7.060 -7.060 585 H LEU 81 H LEU 81 1.238 -9.065 -9.065 586 HA LEU 81 HA LEU 81 3.089 -10.132 -10.132 587 1HB LEU 81 2HB LEU 81 3.504 -9.989 -9.989 588 2HB LEU 81 1HB LEU 81 4.703 -9.799 -9.799 589 HG LEU 81 HG LEU 81 2.663 -7.839 -7.839 590 1HD1 LEU 81 3HD1 LEU 81 5.551 -8.128 -8.128 591 2HD1 LEU 81 2HD1 LEU 81 5.045 -6.598 -6.598 592 3HD1 LEU 81 1HD1 LEU 81 4.573 -6.998 -6.998 593 1HD2 LEU 81 2HD2 LEU 81 3.610 -8.192 -8.192 594 2HD2 LEU 81 1HD2 LEU 81 2.105 -7.495 -7.495 595 3HD2 LEU 81 3HD2 LEU 81 3.589 -6.542 -6.542 596 H GLU 82 H GLU 82 1.510 -11.172 -11.172 597 HA GLU 82 HA GLU 82 2.467 -13.887 -13.887 598 1HB GLU 82 2HB GLU 82 0.175 -12.488 -12.488 599 2HB GLU 82 1HB GLU 82 0.619 -14.165 -14.165 600 1HG GLU 82 2HG GLU 82 2.874 -13.468 -13.468 601 2HG GLU 82 1HG GLU 82 2.483 -11.790 -11.790 602 H LYS 83 H LYS 83 -0.727 -12.449 -12.449 603 HA LYS 83 HA LYS 83 -1.190 -13.993 -13.993 604 1HB LYS 83 2HB LYS 83 -1.099 -15.883 -15.883 605 2HB LYS 83 1HB LYS 83 -2.280 -15.114 -15.114 606 1HG LYS 83 2HG LYS 83 -3.453 -15.144 -15.144 607 2HG LYS 83 1HG LYS 83 -2.737 -16.740 -16.740 608 1HD LYS 83 2HD LYS 83 -3.900 -16.207 -16.207 609 2HD LYS 83 1HD LYS 83 -5.065 -15.558 -15.558 610 1HE LYS 83 2HE LYS 83 -5.154 -17.695 -17.695 611 2HE LYS 83 1HE LYS 83 -3.891 -18.358 -18.358 612 1HZ LYS 83 2HZ LYS 83 -5.386 -17.675 -17.675 613 2HZ LYS 83 1HZ LYS 83 -6.619 -17.485 -17.485 614 3HZ LYS 83 3HZ LYS 83 -5.906 -19.006 -19.006 615 H GLU 84 H GLU 84 -2.552 -12.319 -12.319 616 HA GLU 84 HA GLU 84 -5.218 -11.971 -11.971 617 1HB GLU 84 2HB GLU 84 -3.476 -10.924 -10.924 618 2HB GLU 84 1HB GLU 84 -4.834 -9.892 -9.892 619 1HG GLU 84 2HG GLU 84 -6.381 -11.792 -11.792 620 2HG GLU 84 1HG GLU 84 -5.025 -12.822 -12.822 621 HA PRO 85 HA PRO 85 -3.904 -8.928 -8.928 622 1HB PRO 85 2HB PRO 85 -6.250 -8.953 -8.953 623 2HB PRO 85 1HB PRO 85 -4.994 -10.188 -10.188 624 1HG PRO 85 2HG PRO 85 -7.554 -10.324 -10.324 625 2HG PRO 85 1HG PRO 85 -6.705 -11.582 -11.582 626 1HD PRO 85 2HD PRO 85 -6.698 -11.355 -11.355 627 2HD PRO 85 1HD PRO 85 -5.465 -12.211 -12.211 628 H VAL 86 H VAL 86 -5.694 -7.078 -7.078 629 HA VAL 86 HA VAL 86 -6.647 -5.679 -5.679 630 HB VAL 86 HB VAL 86 -5.664 -4.628 -4.628 631 1HG1 VAL 86 1HG1 VAL 86 -7.308 -3.154 -3.154 632 2HG1 VAL 86 3HG1 VAL 86 -6.262 -3.155 -3.155 633 3HG1 VAL 86 2HG1 VAL 86 -5.701 -2.434 -2.434 634 1HG2 VAL 86 1HG2 VAL 86 -4.172 -5.735 -5.735 635 2HG2 VAL 86 3HG2 VAL 86 -3.571 -4.554 -4.554 636 3HG2 VAL 86 2HG2 VAL 86 -4.156 -4.022 -4.022 637 HA PRO 87 HA PRO 87 -10.599 -5.837 -5.837 638 1HB PRO 87 2HB PRO 87 -11.892 -3.908 -3.908 639 2HB PRO 87 1HB PRO 87 -11.493 -5.506 -5.506 640 1HG PRO 87 2HG PRO 87 -10.227 -2.893 -2.893 641 2HG PRO 87 1HG PRO 87 -10.335 -4.318 -4.318 642 1HD PRO 87 2HD PRO 87 -8.106 -3.500 -3.500 643 2HD PRO 87 1HD PRO 87 -8.319 -5.071 -5.071 644 H MET 88 H MET 88 -12.346 -3.751 -3.751 645 HA MET 88 HA MET 88 -10.759 -2.068 -2.068 646 1HB MET 88 2HB MET 88 -12.442 -3.791 -3.791 647 2HB MET 88 1HB MET 88 -13.696 -2.785 -2.785 648 1HG MET 88 2HG MET 88 -12.071 -1.032 -1.032 649 2HG MET 88 1HG MET 88 -12.339 -2.441 -2.441 650 1HE MET 88 3HE MET 88 -12.972 0.560 0.560 651 2HE MET 88 2HE MET 88 -14.639 0.885 0.885 652 3HE MET 88 1HE MET 88 -14.183 0.938 0.938 653 H SER 89 H SER 89 -12.211 -1.769 -1.769 654 HA SER 89 HA SER 89 -12.284 1.101 1.101 655 1HB SER 89 2HB SER 89 -14.496 -0.346 -0.346 656 2HB SER 89 1HB SER 89 -15.022 0.461 0.461 657 HG SER 89 HG SER 89 -15.235 2.038 2.038 658 H LEU 90 H LEU 90 -11.547 -1.172 -1.172 659 HA LEU 90 HA LEU 90 -11.424 -1.623 -1.623 660 1HB LEU 90 2HB LEU 90 -12.344 1.224 1.224 661 2HB LEU 90 1HB LEU 90 -12.308 0.504 0.504 662 HG LEU 90 HG LEU 90 -10.002 0.908 0.908 663 1HD1 LEU 90 2HD1 LEU 90 -10.946 2.062 2.062 664 2HD1 LEU 90 1HD1 LEU 90 -9.212 1.757 1.757 665 3HD1 LEU 90 3HD1 LEU 90 -9.996 2.803 2.803 666 1HD2 LEU 90 3HD2 LEU 90 -10.390 -1.117 -1.117 667 2HD2 LEU 90 2HD2 LEU 90 -9.248 -1.106 -1.106 668 3HD2 LEU 90 1HD2 LEU 90 -8.891 -0.196 -0.196 669 HA PRO 91 HA PRO 91 -15.617 -3.097 -3.097 670 1HB PRO 91 2HB PRO 91 -15.011 -4.842 -4.842 671 2HB PRO 91 1HB PRO 91 -14.741 -5.217 -5.217 672 1HG PRO 91 2HG PRO 91 -12.818 -4.323 -4.323 673 2HG PRO 91 1HG PRO 91 -12.597 -5.488 -5.488 674 1HD PRO 91 2HD PRO 91 -11.653 -2.931 -2.931 675 2HD PRO 91 1HD PRO 91 -12.093 -3.864 -3.864 676 HA PRO 92 HA PRO 92 -17.066 -0.827 -0.827 677 1HB PRO 92 2HB PRO 92 -18.570 -2.561 -2.561 678 2HB PRO 92 1HB PRO 92 -19.108 -1.899 -1.899 679 1HG PRO 92 2HG PRO 92 -17.855 -4.544 -4.544 680 2HG PRO 92 1HG PRO 92 -19.234 -4.167 -4.167 681 1HD PRO 92 2HD PRO 92 -16.792 -4.622 -4.622 682 2HD PRO 92 1HD PRO 92 -17.883 -3.419 -3.419 683 H ALA 93 H ALA 93 -15.023 -3.481 -3.481 684 HA ALA 93 HA ALA 93 -14.784 -2.827 -2.827 685 1HB ALA 93 1HB ALA 93 -14.289 -5.102 -5.102 686 2HB ALA 93 3HB ALA 93 -12.980 -4.834 -4.834 687 3HB ALA 93 2HB ALA 93 -14.629 -5.092 -5.092 688 H LEU 94 H LEU 94 -13.523 -1.585 -1.585 689 HA LEU 94 HA LEU 94 -10.805 -1.220 -1.220 690 1HB LEU 94 2HB LEU 94 -11.871 -1.543 -1.543 691 2HB LEU 94 1HB LEU 94 -10.393 -0.613 -0.613 692 HG LEU 94 HG LEU 94 -9.841 -2.943 -2.943 693 1HD1 LEU 94 3HD1 LEU 94 -9.387 -2.167 -2.167 694 2HD1 LEU 94 2HD1 LEU 94 -8.515 -3.437 -3.437 695 3HD1 LEU 94 1HD1 LEU 94 -8.360 -1.761 -1.761 696 1HD2 LEU 94 1HD2 LEU 94 -12.157 -3.458 -3.458 697 2HD2 LEU 94 3HD2 LEU 94 -11.058 -4.652 -4.652 698 3HD2 LEU 94 2HD2 LEU 94 -10.841 -4.105 -4.105 699 H VAL 95 H VAL 95 -13.072 0.513 0.513 700 HA VAL 95 HA VAL 95 -11.912 3.069 3.069 701 HB VAL 95 HB VAL 95 -13.822 2.251 2.251 702 1HG1 VAL 95 1HG1 VAL 95 -15.056 1.504 1.504 703 2HG1 VAL 95 3HG1 VAL 95 -15.675 3.155 3.155 704 3HG1 VAL 95 2HG1 VAL 95 -15.978 2.053 2.053 705 1HG2 VAL 95 1HG2 VAL 95 -14.042 4.871 4.871 706 2HG2 VAL 95 3HG2 VAL 95 -13.232 4.590 4.590 707 3HG2 VAL 95 2HG2 VAL 95 -14.992 4.499 4.499 708 HA PRO 96 HA PRO 96 -12.629 3.613 3.613 709 1HB PRO 96 2HB PRO 96 -11.194 5.934 5.934 710 2HB PRO 96 1HB PRO 96 -10.433 4.332 4.332 711 1HG PRO 96 2HG PRO 96 -10.732 6.342 6.342 712 2HG PRO 96 1HG PRO 96 -9.372 5.271 5.271 713 1HD PRO 96 2HD PRO 96 -11.172 4.794 4.794 714 2HD PRO 96 1HD PRO 96 -10.275 3.512 3.512 715 HA PRO 97 HA PRO 97 -15.809 6.651 6.651 716 1HB PRO 97 2HB PRO 97 -15.394 8.008 8.008 717 2HB PRO 97 1HB PRO 97 -16.003 6.342 6.342 718 1HG PRO 97 2HG PRO 97 -13.253 7.334 7.334 719 2HG PRO 97 1HG PRO 97 -14.142 5.992 5.992 720 1HD PRO 97 2HD PRO 97 -12.210 5.658 5.658 721 2HD PRO 97 1HD PRO 97 -13.557 4.523 4.523 722 H SER 98 H SER 98 -16.219 9.092 9.092 723 HA SER 98 HA SER 98 -15.633 11.342 11.342 724 1HB SER 98 2HB SER 98 -12.783 10.480 10.480 725 2HB SER 98 1HB SER 98 -13.386 12.005 12.005 726 HG SER 98 HG SER 98 -13.120 11.113 11.113 727 H LYS 99 H LYS 99 -14.339 8.730 8.730 728 HA LYS 99 HA LYS 99 -14.350 10.424 10.424 729 1HB LYS 99 2HB LYS 99 -12.576 8.769 8.769 730 2HB LYS 99 1HB LYS 99 -13.774 7.491 7.491 731 1HG LYS 99 2HG LYS 99 -12.807 7.493 7.493 732 2HG LYS 99 1HG LYS 99 -14.547 7.789 7.789 733 1HD LYS 99 2HD LYS 99 -14.233 10.144 10.144 734 2HD LYS 99 1HD LYS 99 -12.503 10.022 10.022 735 1HE LYS 99 2HE LYS 99 -12.092 8.884 8.884 736 2HE LYS 99 1HE LYS 99 -13.820 8.562 8.562 737 1HZ LYS 99 3HZ LYS 99 -13.856 11.196 11.196 738 2HZ LYS 99 2HZ LYS 99 -12.322 11.028 11.028 739 3HZ LYS 99 1HZ LYS 99 -13.703 10.459 10.459 740 H ARG 100 H ARG 100 -16.647 8.892 8.892 741 HA ARG 100 HA ARG 100 -18.436 8.557 8.557 742 1HB ARG 100 2HB ARG 100 -19.315 6.491 6.491 743 2HB ARG 100 1HB ARG 100 -17.639 6.350 6.350 744 1HG ARG 100 2HG ARG 100 -16.814 6.352 6.352 745 2HG ARG 100 1HG ARG 100 -18.090 7.409 7.409 746 1HD ARG 100 2HD ARG 100 -18.227 5.008 5.008 747 2HD ARG 100 1HD ARG 100 -19.689 5.569 5.569 748 HE ARG 100 HE ARG 100 -17.580 4.186 4.186 749 1HH1 ARG 100 1HH2 ARG 100 -20.480 3.853 3.853 750 2HH1 ARG 100 2HH2 ARG 100 -21.227 2.781 2.781 751 1HH2 ARG 100 2HH1 ARG 100 -18.651 3.006 3.006 752 2HH2 ARG 100 1HH1 ARG 100 -20.192 2.302 2.302 Start of MODEL 4 1 HA PRO 6 HA PRO 6 -14.410 -3.912 -3.912 2 1HB PRO 6 2HB PRO 6 -11.974 -5.005 -5.005 3 2HB PRO 6 1HB PRO 6 -13.457 -5.404 -5.404 4 1HG PRO 6 2HG PRO 6 -12.049 -6.944 -6.944 5 2HG PRO 6 1HG PRO 6 -12.881 -7.520 -7.520 6 1HD PRO 6 2HD PRO 6 -13.958 -7.612 -7.612 7 2HD PRO 6 1HD PRO 6 -14.923 -7.542 -7.542 8 H TRP 7 H TRP 7 -11.925 -2.915 -2.915 9 HA TRP 7 HA TRP 7 -11.670 -2.026 -2.026 10 1HB TRP 7 2HB TRP 7 -11.129 -0.732 -0.732 11 2HB TRP 7 1HB TRP 7 -9.740 -1.793 -1.793 12 HD1 TRP 7 HD1 TRP 7 -10.393 -1.154 -1.154 13 HE1 TRP 7 HE1 TRP 7 -8.697 0.536 0.536 14 HE3 TRP 7 HE3 TRP 7 -8.331 0.537 0.537 15 HZ2 TRP 7 HZ2 TRP 7 -6.720 2.374 2.374 16 HZ3 TRP 7 HZ3 TRP 7 -6.547 2.256 2.256 17 HH2 TRP 7 HH2 TRP 7 -5.739 3.177 3.177 18 H ALA 8 H ALA 8 -10.807 -3.339 -3.339 19 HA ALA 8 HA ALA 8 -9.503 -5.754 -5.754 20 1HB ALA 8 1HB ALA 8 -10.159 -4.125 -4.125 21 2HB ALA 8 3HB ALA 8 -8.453 -3.687 -3.687 22 3HB ALA 8 2HB ALA 8 -8.919 -5.358 -5.358 23 H VAL 9 H VAL 9 -8.168 -2.588 -2.588 24 HA VAL 9 HA VAL 9 -5.444 -3.742 -3.742 25 HB VAL 9 HB VAL 9 -6.629 -0.961 -0.961 26 1HG1 VAL 9 3HG1 VAL 9 -4.085 -1.877 -1.877 27 2HG1 VAL 9 2HG1 VAL 9 -3.934 -0.548 -0.548 28 3HG1 VAL 9 1HG1 VAL 9 -4.980 -0.380 -0.380 29 1HG2 VAL 9 1HG2 VAL 9 -5.319 -2.804 -2.804 30 2HG2 VAL 9 3HG2 VAL 9 -6.105 -1.267 -1.267 31 3HG2 VAL 9 2HG2 VAL 9 -4.407 -1.299 -1.299 32 H LYS 10 H LYS 10 -4.414 -3.631 -3.631 33 HA LYS 10 HA LYS 10 -6.284 -3.216 -3.216 34 1HB LYS 10 2HB LYS 10 -4.107 -5.115 -5.115 35 2HB LYS 10 1HB LYS 10 -4.211 -4.664 -4.664 36 1HG LYS 10 2HG LYS 10 -5.951 -6.059 -6.059 37 2HG LYS 10 1HG LYS 10 -6.861 -5.168 -5.168 38 1HD LYS 10 2HD LYS 10 -5.479 -6.503 -6.503 39 2HD LYS 10 1HD LYS 10 -5.069 -7.565 -7.565 40 1HE LYS 10 2HE LYS 10 -7.490 -7.934 -7.934 41 2HE LYS 10 1HE LYS 10 -7.879 -6.910 -6.910 42 1HZ LYS 10 1HZ LYS 10 -6.260 -8.412 -8.412 43 2HZ LYS 10 3HZ LYS 10 -6.440 -9.493 -9.493 44 3HZ LYS 10 2HZ LYS 10 -7.792 -9.051 -9.051 45 HA PRO 11 HA PRO 11 -3.678 -0.097 -0.097 46 1HB PRO 11 2HB PRO 11 -3.242 -0.890 -0.890 47 2HB PRO 11 1HB PRO 11 -4.796 -0.241 -0.241 48 1HG PRO 11 2HG PRO 11 -3.972 -3.073 -3.073 49 2HG PRO 11 1HG PRO 11 -5.509 -2.277 -2.277 50 1HD PRO 11 2HD PRO 11 -5.178 -3.856 -3.856 51 2HD PRO 11 1HD PRO 11 -6.289 -2.467 -2.467 52 H GLU 12 H GLU 12 -2.622 -3.415 -3.415 53 HA GLU 12 HA GLU 12 0.190 -2.690 -2.690 54 1HB GLU 12 2HB GLU 12 0.450 -5.118 -5.118 55 2HB GLU 12 1HB GLU 12 -1.001 -4.656 -4.656 56 1HG GLU 12 2HG GLU 12 -2.421 -5.291 -5.291 57 2HG GLU 12 1HG GLU 12 -1.019 -5.575 -5.575 58 H ASP 13 H ASP 13 -1.896 -3.592 -3.592 59 HA ASP 13 HA ASP 13 0.332 -4.143 -4.143 60 1HB ASP 13 2HB ASP 13 -2.661 -4.119 -4.119 61 2HB ASP 13 1HB ASP 13 -1.841 -3.957 -3.957 62 H LYS 14 H LYS 14 -2.046 -1.583 -1.583 63 HA LYS 14 HA LYS 14 -1.152 0.159 0.159 64 1HB LYS 14 2HB LYS 14 -3.347 0.109 0.109 65 2HB LYS 14 1HB LYS 14 -2.430 0.980 0.980 66 1HG LYS 14 2HG LYS 14 -1.933 2.213 2.213 67 2HG LYS 14 1HG LYS 14 -3.677 2.047 2.047 68 1HD LYS 14 2HD LYS 14 -3.248 2.955 2.955 69 2HD LYS 14 1HD LYS 14 -1.706 3.506 3.506 70 1HE LYS 14 2HE LYS 14 -3.414 4.369 4.369 71 2HE LYS 14 1HE LYS 14 -4.429 4.541 4.541 72 1HZ LYS 14 2HZ LYS 14 -2.306 5.491 5.491 73 2HZ LYS 14 1HZ LYS 14 -1.779 5.723 5.723 74 3HZ LYS 14 3HZ LYS 14 -3.189 6.490 6.490 75 H ALA 15 H ALA 15 0.070 -0.724 -0.724 76 HA ALA 15 HA ALA 15 1.532 1.677 1.677 77 1HB ALA 15 2HB ALA 15 1.740 -1.260 -1.260 78 2HB ALA 15 1HB ALA 15 2.763 -0.025 -0.025 79 3HB ALA 15 3HB ALA 15 1.014 0.032 0.032 80 H LYS 16 H LYS 16 2.355 -1.347 -1.347 81 HA LYS 16 HA LYS 16 5.111 -0.602 -0.602 82 1HB LYS 16 2HB LYS 16 5.183 -2.693 -2.693 83 2HB LYS 16 1HB LYS 16 3.716 -2.890 -2.890 84 1HG LYS 16 2HG LYS 16 2.367 -2.206 -2.206 85 2HG LYS 16 1HG LYS 16 3.840 -2.061 -2.061 86 1HD LYS 16 2HD LYS 16 3.904 -4.616 -4.616 87 2HD LYS 16 1HD LYS 16 2.294 -4.420 -4.420 88 1HE LYS 16 2HE LYS 16 3.338 -5.127 -5.127 89 2HE LYS 16 1HE LYS 16 3.847 -3.430 -3.430 90 1HZ LYS 16 3HZ LYS 16 5.762 -4.037 -4.037 91 2HZ LYS 16 2HZ LYS 16 5.325 -5.671 -5.671 92 3HZ LYS 16 1HZ LYS 16 5.801 -4.771 -4.771 93 H TYR 17 H TYR 17 2.036 -0.017 -0.017 94 HA TYR 17 HA TYR 17 3.025 0.882 0.882 95 1HB TYR 17 2HB TYR 17 0.512 1.530 1.530 96 2HB TYR 17 1HB TYR 17 0.728 1.842 1.842 97 HD1 TYR 17 HD2 TYR 17 2.526 -1.046 -1.046 98 HD2 TYR 17 HD1 TYR 17 -1.548 0.308 0.308 99 HE1 TYR 17 HE2 TYR 17 1.756 -3.344 -3.344 100 HE2 TYR 17 HE1 TYR 17 -2.322 -1.988 -1.988 101 HH TYR 17 HH TYR 17 -0.231 -4.427 -4.427 102 H ASP 18 H ASP 18 2.322 2.396 2.396 103 HA ASP 18 HA ASP 18 2.748 5.134 5.134 104 1HB ASP 18 2HB ASP 18 2.464 3.534 3.534 105 2HB ASP 18 1HB ASP 18 3.218 5.121 5.121 106 H ALA 19 H ALA 19 4.882 2.523 2.523 107 HA ALA 19 HA ALA 19 7.210 4.226 4.226 108 1HB ALA 19 1HB ALA 19 6.837 1.941 1.941 109 2HB ALA 19 3HB ALA 19 6.957 1.261 1.261 110 3HB ALA 19 2HB ALA 19 8.356 2.045 2.045 111 H ILE 20 H ILE 20 5.762 2.414 2.414 112 HA ILE 20 HA ILE 20 7.917 2.912 2.912 113 HB ILE 20 HB ILE 20 5.130 1.734 1.734 114 1HG1 ILE 20 2HG1 ILE 20 7.623 0.351 0.351 115 2HG1 ILE 20 1HG1 ILE 20 7.378 0.590 0.590 116 1HG2 ILE 20 1HG2 ILE 20 5.575 2.971 2.971 117 2HG2 ILE 20 3HG2 ILE 20 6.932 1.880 1.880 118 3HG2 ILE 20 2HG2 ILE 20 5.291 1.242 1.242 119 1HD1 ILE 20 2HD1 ILE 20 4.896 -0.304 -0.304 120 2HD1 ILE 20 1HD1 ILE 20 6.038 -1.266 -1.266 121 3HD1 ILE 20 3HD1 ILE 20 6.112 -1.282 -1.282 122 H PHE 21 H PHE 21 4.880 4.314 4.314 123 HA PHE 21 HA PHE 21 4.573 6.134 6.134 124 1HB PHE 21 2HB PHE 21 2.541 5.798 5.798 125 2HB PHE 21 1HB PHE 21 3.287 5.461 5.461 126 HD1 PHE 21 HD2 PHE 21 4.333 7.490 7.490 127 HD2 PHE 21 HD1 PHE 21 1.464 7.859 7.859 128 HE1 PHE 21 HE2 PHE 21 3.770 9.774 9.774 129 HE2 PHE 21 HE1 PHE 21 0.897 10.145 10.145 130 HZ PHE 21 HZ PHE 21 2.053 11.101 11.101 131 H ASP 22 H ASP 22 5.987 6.220 6.220 132 HA ASP 22 HA ASP 22 6.734 9.064 9.064 133 1HB ASP 22 2HB ASP 22 5.955 8.155 8.155 134 2HB ASP 22 1HB ASP 22 7.198 6.903 6.903 135 H SER 23 H SER 23 7.948 6.191 6.191 136 HA SER 23 HA SER 23 10.816 6.847 6.847 137 1HB SER 23 2HB SER 23 10.111 4.525 4.525 138 2HB SER 23 1HB SER 23 9.269 4.612 4.612 139 HG SER 23 HG SER 23 11.831 4.037 4.037 140 H LEU 24 H LEU 24 8.363 7.885 7.885 141 HA LEU 24 HA LEU 24 10.061 8.239 8.239 142 1HB LEU 24 2HB LEU 24 7.147 8.820 8.820 143 2HB LEU 24 1HB LEU 24 8.116 7.975 7.975 144 HG LEU 24 HG LEU 24 7.292 6.809 6.809 145 1HD1 LEU 24 3HD1 LEU 24 5.592 7.320 7.320 146 2HD1 LEU 24 2HD1 LEU 24 6.192 5.728 5.728 147 3HD1 LEU 24 1HD1 LEU 24 5.408 5.955 5.955 148 1HD2 LEU 24 2HD2 LEU 24 9.058 5.979 5.979 149 2HD2 LEU 24 1HD2 LEU 24 8.979 5.385 5.385 150 3HD2 LEU 24 3HD2 LEU 24 7.863 4.759 4.759 151 H SER 25 H SER 25 8.900 9.787 9.787 152 HA SER 25 HA SER 25 9.193 12.067 12.067 153 1HB SER 25 2HB SER 25 9.420 12.848 12.848 154 2HB SER 25 1HB SER 25 10.217 13.546 13.546 155 HG SER 25 HG SER 25 11.764 12.337 12.337 156 HA PRO 26 HA PRO 26 4.785 12.326 12.326 157 1HB PRO 26 2HB PRO 26 3.907 12.721 12.721 158 2HB PRO 26 1HB PRO 26 4.216 11.107 11.107 159 1HG PRO 26 2HG PRO 26 5.898 12.760 12.760 160 2HG PRO 26 1HG PRO 26 5.624 11.010 11.010 161 1HD PRO 26 2HD PRO 26 7.874 12.197 12.197 162 2HD PRO 26 1HD PRO 26 7.249 10.630 10.630 163 H VAL 27 H VAL 27 3.564 14.197 14.197 164 HA VAL 27 HA VAL 27 4.802 16.725 16.725 165 HB VAL 27 HB VAL 27 3.112 16.218 16.218 166 1HG1 VAL 27 2HG1 VAL 27 3.075 18.536 18.536 167 2HG1 VAL 27 1HG1 VAL 27 4.797 18.635 18.635 168 3HG1 VAL 27 3HG1 VAL 27 3.620 18.476 18.476 169 1HG2 VAL 27 1HG2 VAL 27 5.677 15.382 15.382 170 2HG2 VAL 27 3HG2 VAL 27 5.032 15.882 15.882 171 3HG2 VAL 27 2HG2 VAL 27 5.958 17.022 17.022 172 H ASN 28 H ASN 28 3.549 17.389 17.389 173 HA ASN 28 HA ASN 28 1.616 17.910 17.910 174 1HB ASN 28 2HB ASN 28 1.408 19.235 19.235 175 2HB ASN 28 1HB ASN 28 0.288 17.980 17.980 176 1HD2 ASN 28 1HD2 ASN 28 -1.553 17.526 17.526 177 2HD2 ASN 28 2HD2 ASN 28 -2.216 18.891 18.891 178 H GLY 29 H GLY 29 2.183 15.044 15.044 179 1HA GLY 29 2HA GLY 29 1.086 13.044 13.044 180 2HA GLY 29 1HA GLY 29 -0.437 13.936 13.936 181 H PHE 30 H PHE 30 1.759 14.022 14.022 182 HA PHE 30 HA PHE 30 -0.025 12.214 12.214 183 1HB PHE 30 2HB PHE 30 0.597 15.124 15.124 184 2HB PHE 30 1HB PHE 30 -0.144 14.035 14.035 185 HD1 PHE 30 HD2 PHE 30 -2.335 12.958 12.958 186 HD2 PHE 30 HD1 PHE 30 -0.664 16.051 16.051 187 HE1 PHE 30 HE2 PHE 30 -4.563 13.341 13.341 188 HE2 PHE 30 HE1 PHE 30 -2.877 16.433 16.433 189 HZ PHE 30 HZ PHE 30 -4.834 15.079 15.079 190 H LEU 31 H LEU 31 0.946 11.568 11.568 191 HA LEU 31 HA LEU 31 3.861 12.189 12.189 192 1HB LEU 31 2HB LEU 31 2.486 9.504 9.504 193 2HB LEU 31 1HB LEU 31 4.078 9.691 9.691 194 HG LEU 31 HG LEU 31 3.587 10.885 10.885 195 1HD1 LEU 31 1HD1 LEU 31 2.858 8.359 8.359 196 2HD1 LEU 31 3HD1 LEU 31 4.598 8.068 8.068 197 3HD1 LEU 31 2HD1 LEU 31 3.870 8.876 8.876 198 1HD2 LEU 31 1HD2 LEU 31 5.847 10.132 10.132 199 2HD2 LEU 31 3HD2 LEU 31 5.730 11.422 11.422 200 3HD2 LEU 31 2HD2 LEU 31 6.079 9.767 9.767 201 H SER 32 H SER 32 4.293 12.719 12.719 202 HA SER 32 HA SER 32 2.209 12.638 12.638 203 1HB SER 32 2HB SER 32 5.086 13.107 13.107 204 2HB SER 32 1HB SER 32 3.662 14.010 14.010 205 HG SER 32 HG SER 32 4.371 15.322 15.322 206 H GLY 33 H GLY 33 1.946 11.160 11.160 207 1HA GLY 33 2HA GLY 33 2.794 8.534 8.534 208 2HA GLY 33 1HA GLY 33 2.439 9.330 9.330 209 H ASP 34 H ASP 34 4.613 11.289 11.289 210 HA ASP 34 HA ASP 34 6.706 10.005 10.005 211 1HB ASP 34 2HB ASP 34 6.697 12.404 12.404 212 2HB ASP 34 1HB ASP 34 8.006 12.026 12.026 213 H LYS 35 H LYS 35 6.005 10.058 10.058 214 HA LYS 35 HA LYS 35 8.653 8.831 8.831 215 1HB LYS 35 2HB LYS 35 6.558 9.518 9.518 216 2HB LYS 35 1HB LYS 35 8.310 9.668 9.668 217 1HG LYS 35 2HG LYS 35 8.110 11.501 11.501 218 2HG LYS 35 1HG LYS 35 6.376 11.476 11.476 219 1HD LYS 35 2HD LYS 35 7.135 11.656 11.656 220 2HD LYS 35 1HD LYS 35 8.639 12.267 12.267 221 1HE LYS 35 2HE LYS 35 5.979 13.412 13.412 222 2HE LYS 35 1HE LYS 35 6.814 14.011 14.011 223 1HZ LYS 35 2HZ LYS 35 8.864 14.063 14.063 224 2HZ LYS 35 1HZ LYS 35 7.759 14.005 14.005 225 3HZ LYS 35 3HZ LYS 35 7.711 15.295 15.295 226 H VAL 36 H VAL 36 5.175 8.401 8.401 227 HA VAL 36 HA VAL 36 5.390 5.734 5.734 228 HB VAL 36 HB VAL 36 3.078 7.198 7.198 229 1HG1 VAL 36 3HG1 VAL 36 3.322 4.804 4.804 230 2HG1 VAL 36 2HG1 VAL 36 1.854 5.779 5.779 231 3HG1 VAL 36 1HG1 VAL 36 2.385 4.981 4.981 232 1HG2 VAL 36 2HG2 VAL 36 4.470 7.515 7.515 233 2HG2 VAL 36 1HG2 VAL 36 3.563 8.699 8.699 234 3HG2 VAL 36 3HG2 VAL 36 2.708 7.520 7.520 235 H LYS 37 H LYS 37 4.319 7.005 7.005 236 HA LYS 37 HA LYS 37 3.607 4.679 4.679 237 1HB LYS 37 2HB LYS 37 3.616 6.962 6.962 238 2HB LYS 37 1HB LYS 37 5.370 6.884 6.884 239 1HG LYS 37 2HG LYS 37 5.186 4.941 4.941 240 2HG LYS 37 1HG LYS 37 3.430 4.973 4.973 241 1HD LYS 37 2HD LYS 37 3.336 6.421 6.421 242 2HD LYS 37 1HD LYS 37 4.210 7.594 7.594 243 1HE LYS 37 2HE LYS 37 6.360 6.693 6.693 244 2HE LYS 37 1HE LYS 37 5.509 5.461 5.461 245 1HZ LYS 37 3HZ LYS 37 4.523 8.142 8.142 246 2HZ LYS 37 2HZ LYS 37 6.130 7.932 7.932 247 3HZ LYS 37 1HZ LYS 37 4.900 6.949 6.949 248 HA PRO 38 HA PRO 38 8.182 3.603 3.603 249 1HB PRO 38 2HB PRO 38 10.090 4.723 4.723 250 2HB PRO 38 1HB PRO 38 9.598 5.437 5.437 251 1HG PRO 38 2HG PRO 38 8.753 6.151 6.151 252 2HG PRO 38 1HG PRO 38 9.146 7.211 7.211 253 1HD PRO 38 2HD PRO 38 6.606 6.682 6.682 254 2HD PRO 38 1HD PRO 38 7.078 6.952 6.952 255 H VAL 39 H VAL 39 7.302 4.400 4.400 256 HA VAL 39 HA VAL 39 8.614 2.226 2.226 257 HB VAL 39 HB VAL 39 6.411 4.200 4.200 258 1HG1 VAL 39 3HG1 VAL 39 6.571 1.570 1.570 259 2HG1 VAL 39 2HG1 VAL 39 6.632 2.908 2.908 260 3HG1 VAL 39 1HG1 VAL 39 5.271 2.763 2.763 261 1HG2 VAL 39 3HG2 VAL 39 9.116 4.157 4.157 262 2HG2 VAL 39 2HG2 VAL 39 7.979 5.196 5.196 263 3HG2 VAL 39 1HG2 VAL 39 8.490 3.667 3.667 264 H LEU 40 H LEU 40 5.707 2.482 2.482 265 HA LEU 40 HA LEU 40 4.603 -0.082 -0.082 266 1HB LEU 40 2HB LEU 40 3.846 1.813 1.813 267 2HB LEU 40 1HB LEU 40 2.860 0.466 0.466 268 HG LEU 40 HG LEU 40 3.597 2.996 2.996 269 1HD1 LEU 40 3HD1 LEU 40 1.048 1.600 1.600 270 2HD1 LEU 40 2HD1 LEU 40 1.065 2.865 2.865 271 3HD1 LEU 40 1HD1 LEU 40 1.583 3.228 3.228 272 1HD2 LEU 40 3HD2 LEU 40 2.696 0.326 0.326 273 2HD2 LEU 40 2HD2 LEU 40 4.014 1.352 1.352 274 3HD2 LEU 40 1HD2 LEU 40 2.337 1.828 1.828 275 H LEU 41 H LEU 41 6.849 1.042 1.042 276 HA LEU 41 HA LEU 41 6.511 -1.121 -1.121 277 1HB LEU 41 2HB LEU 41 8.512 1.065 1.065 278 2HB LEU 41 1HB LEU 41 8.841 -0.157 -0.157 279 HG LEU 41 HG LEU 41 6.258 1.402 1.402 280 1HD1 LEU 41 2HD1 LEU 41 8.913 2.385 2.385 281 2HD1 LEU 41 1HD1 LEU 41 7.964 2.369 2.369 282 3HD1 LEU 41 3HD1 LEU 41 7.378 3.252 3.252 283 1HD2 LEU 41 1HD2 LEU 41 6.681 -0.790 -0.790 284 2HD2 LEU 41 3HD2 LEU 41 6.021 0.586 0.586 285 3HD2 LEU 41 2HD2 LEU 41 7.737 0.194 0.194 286 H ASN 42 H ASN 42 8.279 -0.516 -0.516 287 HA ASN 42 HA ASN 42 10.297 -2.529 -2.529 288 1HB ASN 42 2HB ASN 42 8.791 -1.403 -1.403 289 2HB ASN 42 1HB ASN 42 10.299 -2.313 -2.313 290 1HD2 ASN 42 1HD2 ASN 42 8.871 0.749 0.749 291 2HD2 ASN 42 2HD2 ASN 42 10.341 1.577 1.577 292 H SER 43 H SER 43 6.899 -2.769 -2.769 293 HA SER 43 HA SER 43 6.794 -5.315 -5.315 294 1HB SER 43 2HB SER 43 4.524 -4.531 -4.531 295 2HB SER 43 1HB SER 43 4.582 -4.799 -4.799 296 HG SER 43 HG SER 43 4.771 -2.483 -2.483 297 H LYS 44 H LYS 44 7.923 -4.581 -4.581 298 HA LYS 44 HA LYS 44 8.365 -5.923 -5.923 299 1HB LYS 44 2HB LYS 44 7.885 -7.672 -7.672 300 2HB LYS 44 1HB LYS 44 7.435 -8.447 -8.447 301 1HG LYS 44 2HG LYS 44 9.587 -8.604 -8.604 302 2HG LYS 44 1HG LYS 44 9.967 -6.968 -6.968 303 1HD LYS 44 2HD LYS 44 11.247 -8.174 -8.174 304 2HD LYS 44 1HD LYS 44 9.734 -8.085 -8.085 305 1HE LYS 44 2HE LYS 44 9.148 -10.311 -10.311 306 2HE LYS 44 1HE LYS 44 10.252 -10.376 -10.376 307 1HZ LYS 44 1HZ LYS 44 11.946 -9.733 -9.733 308 2HZ LYS 44 3HZ LYS 44 10.834 -10.640 -10.640 309 3HZ LYS 44 2HZ LYS 44 11.613 -11.342 -11.342 310 H LEU 45 H LEU 45 5.490 -4.876 -4.876 311 HA LEU 45 HA LEU 45 3.824 -6.665 -6.665 312 1HB LEU 45 2HB LEU 45 3.411 -4.444 -4.444 313 2HB LEU 45 1HB LEU 45 2.121 -4.810 -4.810 314 HG LEU 45 HG LEU 45 3.417 -6.772 -6.772 315 1HD1 LEU 45 1HD1 LEU 45 1.698 -4.987 -4.987 316 2HD1 LEU 45 3HD1 LEU 45 0.519 -5.951 -5.951 317 3HD1 LEU 45 2HD1 LEU 45 1.422 -6.672 -6.672 318 1HD2 LEU 45 2HD2 LEU 45 2.071 -7.198 -7.198 319 2HD2 LEU 45 1HD2 LEU 45 2.619 -8.407 -8.407 320 3HD2 LEU 45 3HD2 LEU 45 0.998 -7.730 -7.730 321 HA PRO 46 HA PRO 46 3.980 -4.028 -4.028 322 1HB PRO 46 2HB PRO 46 1.433 -4.232 -4.232 323 2HB PRO 46 1HB PRO 46 2.620 -5.546 -5.546 324 1HG PRO 46 2HG PRO 46 0.344 -5.195 -5.195 325 2HG PRO 46 1HG PRO 46 0.989 -6.670 -6.670 326 1HD PRO 46 2HD PRO 46 1.482 -5.883 -5.883 327 2HD PRO 46 1HD PRO 46 2.539 -6.960 -6.960 328 H VAL 47 H VAL 47 3.042 -2.015 -2.015 329 HA VAL 47 HA VAL 47 2.486 -0.007 -0.007 330 HB VAL 47 HB VAL 47 2.497 -0.260 -0.260 331 1HG1 VAL 47 2HG1 VAL 47 1.404 2.060 2.060 332 2HG1 VAL 47 1HG1 VAL 47 2.050 2.268 2.268 333 3HG1 VAL 47 3HG1 VAL 47 0.653 1.226 1.226 334 1HG2 VAL 47 3HG2 VAL 47 4.490 0.156 0.156 335 2HG2 VAL 47 2HG2 VAL 47 4.440 1.008 1.008 336 3HG2 VAL 47 1HG2 VAL 47 3.914 1.821 1.821 337 H ASP 48 H ASP 48 0.462 -2.370 -2.370 338 HA ASP 48 HA ASP 48 -2.010 -0.859 -0.859 339 1HB ASP 48 2HB ASP 48 -1.122 -3.724 -3.724 340 2HB ASP 48 1HB ASP 48 -2.832 -3.353 -3.353 341 H ILE 49 H ILE 49 -0.376 -2.930 -2.930 342 HA ILE 49 HA ILE 49 -2.395 -2.826 -2.826 343 HB ILE 49 HB ILE 49 0.610 -3.004 -3.004 344 1HG1 ILE 49 2HG1 ILE 49 0.073 -4.580 -4.580 345 2HG1 ILE 49 1HG1 ILE 49 0.221 -5.499 -5.499 346 1HG2 ILE 49 1HG2 ILE 49 -1.117 -2.865 -2.865 347 2HG2 ILE 49 3HG2 ILE 49 -1.481 -4.534 -4.534 348 3HG2 ILE 49 2HG2 ILE 49 0.152 -4.087 -4.087 349 1HD1 ILE 49 3HD1 ILE 49 -2.329 -5.154 -5.154 350 2HD1 ILE 49 2HD1 ILE 49 -2.291 -4.703 -4.703 351 3HD1 ILE 49 1HD1 ILE 49 -1.772 -6.314 -6.314 352 H LEU 50 H LEU 50 0.546 -0.962 -0.962 353 HA LEU 50 HA LEU 50 0.246 0.913 0.913 354 1HB LEU 50 2HB LEU 50 1.572 1.398 1.398 355 2HB LEU 50 1HB LEU 50 2.057 2.027 2.027 356 HG LEU 50 HG LEU 50 2.383 -0.759 -0.759 357 1HD1 LEU 50 3HD1 LEU 50 4.078 1.496 1.496 358 2HD1 LEU 50 2HD1 LEU 50 4.614 -0.076 -0.076 359 3HD1 LEU 50 1HD1 LEU 50 4.423 0.194 0.194 360 1HD2 LEU 50 1HD2 LEU 50 1.746 -0.003 -0.003 361 2HD2 LEU 50 3HD2 LEU 50 1.803 -1.605 -1.605 362 3HD2 LEU 50 2HD2 LEU 50 3.281 -0.857 -0.857 363 H GLY 51 H GLY 51 -1.222 0.641 0.641 364 1HA GLY 51 2HA GLY 51 -2.116 3.453 3.453 365 2HA GLY 51 1HA GLY 51 -2.509 2.238 2.238 366 H ARG 52 H ARG 52 -3.300 0.259 0.259 367 HA ARG 52 HA ARG 52 -6.053 1.229 1.229 368 1HB ARG 52 2HB ARG 52 -4.953 -1.097 -1.097 369 2HB ARG 52 1HB ARG 52 -5.159 -1.467 -1.467 370 1HG ARG 52 2HG ARG 52 -7.528 -0.899 -0.899 371 2HG ARG 52 1HG ARG 52 -7.350 -0.415 -0.415 372 1HD ARG 52 2HD ARG 52 -6.641 -3.202 -3.202 373 2HD ARG 52 1HD ARG 52 -8.258 -2.778 -2.778 374 HE ARG 52 HE ARG 52 -6.606 -1.751 -1.751 375 1HH1 ARG 52 1HH2 ARG 52 -8.031 -4.661 -4.661 376 2HH1 ARG 52 2HH2 ARG 52 -6.974 -5.631 -5.631 377 1HH2 ARG 52 2HH1 ARG 52 -4.724 -3.061 -3.061 378 2HH2 ARG 52 1HH1 ARG 52 -5.103 -4.725 -4.725 379 H VAL 53 H VAL 53 -3.531 -0.432 -0.432 380 HA VAL 53 HA VAL 53 -4.726 -0.225 -0.225 381 HB VAL 53 HB VAL 53 -1.855 -0.046 -0.046 382 1HG1 VAL 53 1HG1 VAL 53 -2.142 1.153 1.153 383 2HG1 VAL 53 3HG1 VAL 53 -2.797 -0.337 -0.337 384 3HG1 VAL 53 2HG1 VAL 53 -1.128 -0.285 -0.285 385 1HG2 VAL 53 3HG2 VAL 53 -3.105 -2.181 -2.181 386 2HG2 VAL 53 2HG2 VAL 53 -1.782 -2.342 -2.342 387 3HG2 VAL 53 1HG2 VAL 53 -3.442 -2.196 -2.196 388 H TRP 54 H TRP 54 -2.784 2.219 2.219 389 HA TRP 54 HA TRP 54 -2.785 4.193 4.193 390 1HB TRP 54 2HB TRP 54 -1.316 4.349 4.349 391 2HB TRP 54 1HB TRP 54 -2.693 4.400 4.400 392 HD1 TRP 54 HD1 TRP 54 -4.317 6.564 6.564 393 HE1 TRP 54 HE1 TRP 54 -3.805 8.988 8.988 394 HE3 TRP 54 HE3 TRP 54 0.153 5.867 5.867 395 HZ2 TRP 54 HZ2 TRP 54 -1.751 10.447 10.447 396 HZ3 TRP 54 HZ3 TRP 54 1.364 7.786 7.786 397 HH2 TRP 54 HH2 TRP 54 0.419 10.074 10.074 398 H GLU 55 H GLU 55 -4.912 4.078 4.078 399 HA GLU 55 HA GLU 55 -6.601 6.213 6.213 400 1HB GLU 55 2HB GLU 55 -7.158 3.573 3.573 401 2HB GLU 55 1HB GLU 55 -8.322 4.896 4.896 402 1HG GLU 55 2HG GLU 55 -6.266 6.309 6.309 403 2HG GLU 55 1HG GLU 55 -5.698 4.732 4.732 404 H LEU 56 H LEU 56 -6.667 2.866 2.866 405 HA LEU 56 HA LEU 56 -9.059 3.327 3.327 406 1HB LEU 56 2HB LEU 56 -7.250 0.911 0.911 407 2HB LEU 56 1HB LEU 56 -8.902 0.914 0.914 408 HG LEU 56 HG LEU 56 -8.231 1.952 1.952 409 1HD1 LEU 56 1HD1 LEU 56 -7.541 -0.458 -0.458 410 2HD1 LEU 56 3HD1 LEU 56 -9.235 -0.823 -0.823 411 3HD1 LEU 56 2HD1 LEU 56 -8.761 -0.177 -0.177 412 1HD2 LEU 56 3HD2 LEU 56 -10.628 1.640 1.640 413 2HD2 LEU 56 2HD2 LEU 56 -10.394 2.584 2.584 414 3HD2 LEU 56 1HD2 LEU 56 -10.797 0.870 0.870 415 H SER 57 H SER 57 -5.720 3.751 3.751 416 HA SER 57 HA SER 57 -5.643 3.317 3.317 417 1HB SER 57 2HB SER 57 -3.764 2.374 2.374 418 2HB SER 57 1HB SER 57 -3.635 3.712 3.712 419 HG SER 57 HG SER 57 -3.371 4.147 4.147 420 H ASP 58 H ASP 58 -5.521 5.781 5.781 421 HA ASP 58 HA ASP 58 -4.846 7.948 7.948 422 1HB ASP 58 2HB ASP 58 -4.314 7.595 7.595 423 2HB ASP 58 1HB ASP 58 -5.911 8.315 8.315 424 H ILE 59 H ILE 59 -6.866 7.158 7.158 425 HA ILE 59 HA ILE 59 -9.516 7.325 7.325 426 HB ILE 59 HB ILE 59 -8.056 8.698 8.698 427 1HG1 ILE 59 2HG1 ILE 59 -7.488 6.331 6.331 428 2HG1 ILE 59 1HG1 ILE 59 -8.597 6.568 6.568 429 1HG2 ILE 59 2HG2 ILE 59 -10.533 9.277 9.277 430 2HG2 ILE 59 1HG2 ILE 59 -10.870 7.627 7.627 431 3HG2 ILE 59 3HG2 ILE 59 -10.090 8.767 8.767 432 1HD1 ILE 59 3HD1 ILE 59 -10.485 5.860 5.860 433 2HD1 ILE 59 2HD1 ILE 59 -9.361 5.596 5.596 434 3HD1 ILE 59 1HD1 ILE 59 -9.254 4.599 4.599 435 H ASP 60 H ASP 60 -7.269 10.043 10.043 436 HA ASP 60 HA ASP 60 -9.446 12.009 12.009 437 1HB ASP 60 2HB ASP 60 -6.422 12.224 12.224 438 2HB ASP 60 1HB ASP 60 -7.530 13.598 13.598 439 H HIS 61 H HIS 61 -7.077 10.298 10.298 440 HA HIS 61 HA HIS 61 -6.749 10.304 10.304 441 1HB HIS 61 2HB HIS 61 -9.220 11.907 11.907 442 2HB HIS 61 1HB HIS 61 -8.729 10.387 10.387 443 HD1 HIS 61 HD1 HIS 61 -11.229 11.641 11.641 444 HD2 HIS 61 HD2 HIS 61 -8.868 8.209 8.209 445 HE1 HIS 61 HE1 HIS 61 -12.410 9.987 9.987 446 H ASP 62 H ASP 62 -5.970 12.607 12.607 447 HA ASP 62 HA ASP 62 -6.191 14.973 14.973 448 1HB ASP 62 2HB ASP 62 -5.384 16.119 16.119 449 2HB ASP 62 1HB ASP 62 -6.412 14.831 14.831 450 H GLY 63 H GLY 63 -3.862 12.482 12.482 451 1HA GLY 63 2HA GLY 63 -2.121 12.312 12.312 452 2HA GLY 63 1HA GLY 63 -1.769 13.994 13.994 453 H MET 64 H MET 64 -2.578 12.425 12.425 454 HA MET 64 HA MET 64 0.179 11.447 11.447 455 1HB MET 64 2HB MET 64 -1.052 13.257 13.257 456 2HB MET 64 1HB MET 64 0.647 13.003 13.003 457 1HG MET 64 2HG MET 64 0.149 14.166 14.166 458 2HG MET 64 1HG MET 64 -1.368 14.673 14.673 459 1HE MET 64 1HE MET 64 2.189 14.182 14.182 460 2HE MET 64 3HE MET 64 2.884 15.758 15.758 461 3HE MET 64 2HE MET 64 2.424 14.642 14.642 462 H LEU 65 H LEU 65 0.301 10.207 10.207 463 HA LEU 65 HA LEU 65 -2.364 9.050 9.050 464 1HB LEU 65 2HB LEU 65 0.431 7.956 7.956 465 2HB LEU 65 1HB LEU 65 -0.750 7.091 7.091 466 HG LEU 65 HG LEU 65 -1.234 7.941 7.941 467 1HD1 LEU 65 2HD1 LEU 65 0.086 5.564 5.564 468 2HD1 LEU 65 1HD1 LEU 65 -1.109 5.229 5.229 469 3HD1 LEU 65 3HD1 LEU 65 0.274 6.264 6.264 470 1HD2 LEU 65 1HD2 LEU 65 -3.232 7.629 7.629 471 2HD2 LEU 65 3HD2 LEU 65 -3.150 6.426 6.426 472 3HD2 LEU 65 2HD2 LEU 65 -2.686 5.997 5.997 473 H ASP 66 H ASP 66 -2.897 9.921 9.921 474 HA ASP 66 HA ASP 66 -0.815 10.820 10.820 475 1HB ASP 66 2HB ASP 66 -2.667 11.494 11.494 476 2HB ASP 66 1HB ASP 66 -3.152 11.769 11.769 477 H ARG 67 H ARG 67 -0.696 9.950 9.950 478 HA ARG 67 HA ARG 67 0.199 7.382 7.382 479 1HB ARG 67 2HB ARG 67 -0.859 7.618 7.618 480 2HB ARG 67 1HB ARG 67 0.428 8.702 8.702 481 1HG ARG 67 2HG ARG 67 -0.995 10.508 10.508 482 2HG ARG 67 1HG ARG 67 -2.387 9.496 9.496 483 1HD ARG 67 2HD ARG 67 -2.740 10.415 10.415 484 2HD ARG 67 1HD ARG 67 -2.325 8.702 8.702 485 HE ARG 67 HE ARG 67 0.138 9.924 9.924 486 1HH1 ARG 67 1HH2 ARG 67 -2.379 11.748 11.748 487 2HH1 ARG 67 2HH2 ARG 67 -1.842 11.818 11.818 488 1HH2 ARG 67 2HH1 ARG 67 0.657 9.457 9.457 489 2HH2 ARG 67 1HH1 ARG 67 -0.122 10.521 10.521 490 H ASP 68 H ASP 68 -3.247 8.292 8.292 491 HA ASP 68 HA ASP 68 -4.083 5.546 5.546 492 1HB ASP 68 2HB ASP 68 -5.111 8.079 8.079 493 2HB ASP 68 1HB ASP 68 -6.062 7.480 7.480 494 H GLU 69 H GLU 69 -3.963 7.663 7.663 495 HA GLU 69 HA GLU 69 -5.363 5.786 5.786 496 1HB GLU 69 2HB GLU 69 -3.580 8.194 8.194 497 2HB GLU 69 1HB GLU 69 -4.537 7.400 7.400 498 1HG GLU 69 2HG GLU 69 -6.585 7.823 7.823 499 2HG GLU 69 1HG GLU 69 -5.606 8.701 8.701 500 H PHE 70 H PHE 70 -1.983 6.678 6.678 501 HA PHE 70 HA PHE 70 -0.773 5.002 5.002 502 1HB PHE 70 2HB PHE 70 0.241 6.877 6.877 503 2HB PHE 70 1HB PHE 70 0.281 5.745 5.745 504 HD1 PHE 70 HD2 PHE 70 1.632 3.650 3.650 505 HD2 PHE 70 HD1 PHE 70 1.815 6.725 6.725 506 HE1 PHE 70 HE2 PHE 70 3.740 2.678 2.678 507 HE2 PHE 70 HE1 PHE 70 3.923 5.754 5.754 508 HZ PHE 70 HZ PHE 70 4.881 3.733 3.733 509 H ALA 71 H ALA 71 -2.203 4.385 4.385 510 HA ALA 71 HA ALA 71 -0.980 1.831 1.831 511 1HB ALA 71 3HB ALA 71 -2.473 3.531 3.531 512 2HB ALA 71 2HB ALA 71 -3.798 2.549 2.549 513 3HB ALA 71 1HB ALA 71 -2.540 1.807 1.807 514 H VAL 72 H VAL 72 -4.104 2.714 2.714 515 HA VAL 72 HA VAL 72 -5.096 0.155 0.155 516 HB VAL 72 HB VAL 72 -5.304 2.790 2.790 517 1HG1 VAL 72 1HG1 VAL 72 -6.893 0.237 0.237 518 2HG1 VAL 72 3HG1 VAL 72 -7.667 1.779 1.779 519 3HG1 VAL 72 2HG1 VAL 72 -6.316 1.216 1.216 520 1HG2 VAL 72 1HG2 VAL 72 -6.602 1.681 1.681 521 2HG2 VAL 72 3HG2 VAL 72 -5.957 3.296 3.296 522 3HG2 VAL 72 2HG2 VAL 72 -7.492 2.816 2.816 523 H ALA 73 H ALA 73 -2.546 2.013 2.013 524 HA ALA 73 HA ALA 73 -2.579 0.381 0.381 525 1HB ALA 73 2HB ALA 73 -1.570 2.910 2.910 526 2HB ALA 73 1HB ALA 73 -0.285 2.010 2.010 527 3HB ALA 73 3HB ALA 73 -1.791 2.368 2.368 528 H MET 74 H MET 74 -1.121 0.111 0.111 529 HA MET 74 HA MET 74 1.307 -1.232 -1.232 530 1HB MET 74 2HB MET 74 0.192 -1.092 -1.092 531 2HB MET 74 1HB MET 74 1.863 -1.391 -1.391 532 1HG MET 74 2HG MET 74 0.368 1.168 1.168 533 2HG MET 74 1HG MET 74 2.067 0.843 0.843 534 1HE MET 74 3HE MET 74 3.294 -0.346 -0.346 535 2HE MET 74 2HE MET 74 2.843 -0.400 -0.400 536 3HE MET 74 1HE MET 74 3.932 0.858 0.858 537 H PHE 75 H PHE 75 -1.630 -2.212 -2.212 538 HA PHE 75 HA PHE 75 -0.929 -5.032 -5.032 539 1HB PHE 75 2HB PHE 75 -2.867 -5.295 -5.295 540 2HB PHE 75 1HB PHE 75 -2.538 -3.592 -3.592 541 HD1 PHE 75 HD2 PHE 75 -3.731 -1.833 -1.833 542 HD2 PHE 75 HD1 PHE 75 -4.812 -5.985 -5.985 543 HE1 PHE 75 HE2 PHE 75 -5.919 -1.228 -1.228 544 HE2 PHE 75 HE1 PHE 75 -7.005 -5.381 -5.381 545 HZ PHE 75 HZ PHE 75 -7.561 -3.001 -3.001 546 H LEU 76 H LEU 76 -2.390 -2.673 -2.673 547 HA LEU 76 HA LEU 76 -3.816 -4.462 -4.462 548 1HB LEU 76 2HB LEU 76 -3.008 -1.611 -1.611 549 2HB LEU 76 1HB LEU 76 -3.345 -2.203 -2.203 550 HG LEU 76 HG LEU 76 -5.208 -2.390 -2.390 551 1HD1 LEU 76 2HD1 LEU 76 -4.729 -0.199 -0.199 552 2HD1 LEU 76 1HD1 LEU 76 -5.964 -0.991 -0.991 553 3HD1 LEU 76 3HD1 LEU 76 -6.308 -0.565 -0.565 554 1HD2 LEU 76 1HD2 LEU 76 -5.035 -3.979 -3.979 555 2HD2 LEU 76 3HD2 LEU 76 -6.306 -3.995 -3.995 556 3HD2 LEU 76 2HD2 LEU 76 -6.441 -2.929 -2.929 557 H VAL 77 H VAL 77 -0.576 -3.122 -3.122 558 HA VAL 77 HA VAL 77 0.259 -4.261 -4.261 559 HB VAL 77 HB VAL 77 1.577 -2.596 -2.596 560 1HG1 VAL 77 3HG1 VAL 77 2.684 -3.836 -3.836 561 2HG1 VAL 77 2HG1 VAL 77 3.296 -2.274 -2.274 562 3HG1 VAL 77 1HG1 VAL 77 3.434 -3.687 -3.687 563 1HG2 VAL 77 3HG2 VAL 77 -0.216 -1.905 -1.905 564 2HG2 VAL 77 2HG2 VAL 77 0.909 -0.796 -0.796 565 3HG2 VAL 77 1HG2 VAL 77 1.343 -1.555 -1.555 566 H TYR 78 H TYR 78 0.477 -4.975 -4.975 567 HA TYR 78 HA TYR 78 2.614 -6.967 -6.967 568 1HB TYR 78 2HB TYR 78 1.267 -5.549 -5.549 569 2HB TYR 78 1HB TYR 78 1.465 -7.264 -7.264 570 HD1 TYR 78 HD2 TYR 78 3.842 -8.267 -8.267 571 HD2 TYR 78 HD1 TYR 78 3.046 -4.120 -4.120 572 HE1 TYR 78 HE2 TYR 78 6.253 -7.891 -7.891 573 HE2 TYR 78 HE1 TYR 78 5.453 -3.739 -3.739 574 HH TYR 78 HH TYR 78 7.770 -6.440 -6.440 575 H CYS 79 H CYS 79 -0.880 -6.834 -6.834 576 HA CYS 79 HA CYS 79 -1.205 -9.719 -9.719 577 1HB CYS 79 2HB CYS 79 -3.009 -7.376 -7.376 578 2HB CYS 79 1HB CYS 79 -3.621 -9.023 -9.023 579 HG CYS 79 HG CYS 79 -3.002 -7.262 -7.262 580 H ALA 80 H ALA 80 -0.690 -7.551 -7.551 581 HA ALA 80 HA ALA 80 -1.846 -9.298 -9.298 582 1HB ALA 80 2HB ALA 80 -0.238 -6.744 -6.744 583 2HB ALA 80 1HB ALA 80 -0.557 -7.550 -7.550 584 3HB ALA 80 3HB ALA 80 -1.899 -6.970 -6.970 585 H LEU 81 H LEU 81 0.961 -9.261 -9.261 586 HA LEU 81 HA LEU 81 2.758 -10.380 -10.380 587 1HB LEU 81 2HB LEU 81 3.191 -10.176 -10.176 588 2HB LEU 81 1HB LEU 81 4.403 -10.113 -10.113 589 HG LEU 81 HG LEU 81 2.384 -8.016 -8.016 590 1HD1 LEU 81 3HD1 LEU 81 4.999 -8.425 -8.425 591 2HD1 LEU 81 2HD1 LEU 81 5.176 -7.319 -7.319 592 3HD1 LEU 81 1HD1 LEU 81 4.185 -6.860 -6.860 593 1HD2 LEU 81 2HD2 LEU 81 4.030 -8.214 -8.214 594 2HD2 LEU 81 1HD2 LEU 81 2.271 -8.205 -8.205 595 3HD2 LEU 81 3HD2 LEU 81 3.189 -6.757 -6.757 596 H GLU 82 H GLU 82 1.285 -11.393 -11.393 597 HA GLU 82 HA GLU 82 2.222 -14.120 -14.120 598 1HB GLU 82 2HB GLU 82 0.869 -14.439 -14.439 599 2HB GLU 82 1HB GLU 82 1.902 -13.016 -13.016 600 1HG GLU 82 2HG GLU 82 -0.060 -12.043 -12.043 601 2HG GLU 82 1HG GLU 82 -0.292 -11.864 -11.864 602 H LYS 83 H LYS 83 -0.925 -12.495 -12.495 603 HA LYS 83 HA LYS 83 -1.715 -14.367 -14.367 604 1HB LYS 83 2HB LYS 83 -1.717 -15.389 -15.389 605 2HB LYS 83 1HB LYS 83 -3.413 -15.070 -15.070 606 1HG LYS 83 2HG LYS 83 -3.283 -16.376 -16.376 607 2HG LYS 83 1HG LYS 83 -1.550 -16.613 -16.613 608 1HD LYS 83 2HD LYS 83 -1.952 -18.413 -18.413 609 2HD LYS 83 1HD LYS 83 -2.887 -17.417 -17.417 610 1HE LYS 83 2HE LYS 83 -3.960 -18.720 -18.720 611 2HE LYS 83 1HE LYS 83 -4.315 -19.223 -19.223 612 1HZ LYS 83 2HZ LYS 83 -4.758 -16.543 -16.543 613 2HZ LYS 83 1HZ LYS 83 -5.355 -16.992 -16.992 614 3HZ LYS 83 3HZ LYS 83 -5.964 -17.734 -17.734 615 H GLU 84 H GLU 84 -2.959 -12.314 -12.314 616 HA GLU 84 HA GLU 84 -5.553 -11.891 -11.891 617 1HB GLU 84 2HB GLU 84 -3.992 -11.047 -11.047 618 2HB GLU 84 1HB GLU 84 -5.044 -9.771 -9.771 619 1HG GLU 84 2HG GLU 84 -6.410 -10.963 -10.963 620 2HG GLU 84 1HG GLU 84 -6.888 -11.576 -11.576 621 HA PRO 85 HA PRO 85 -3.857 -8.948 -8.948 622 1HB PRO 85 2HB PRO 85 -6.090 -8.864 -8.864 623 2HB PRO 85 1HB PRO 85 -4.890 -10.166 -10.166 624 1HG PRO 85 2HG PRO 85 -7.553 -10.147 -10.147 625 2HG PRO 85 1HG PRO 85 -6.727 -11.453 -11.453 626 1HD PRO 85 2HD PRO 85 -6.876 -11.254 -11.254 627 2HD PRO 85 1HD PRO 85 -5.613 -12.144 -12.144 628 H VAL 86 H VAL 86 -5.352 -6.959 -6.959 629 HA VAL 86 HA VAL 86 -6.539 -5.578 -5.578 630 HB VAL 86 HB VAL 86 -5.002 -4.652 -4.652 631 1HG1 VAL 86 1HG1 VAL 86 -7.032 -3.186 -3.186 632 2HG1 VAL 86 3HG1 VAL 86 -6.158 -2.817 -2.817 633 3HG1 VAL 86 2HG1 VAL 86 -5.463 -2.389 -2.389 634 1HG2 VAL 86 1HG2 VAL 86 -4.068 -5.504 -5.504 635 2HG2 VAL 86 3HG2 VAL 86 -3.285 -4.212 -4.212 636 3HG2 VAL 86 2HG2 VAL 86 -4.379 -3.818 -3.818 637 HA PRO 87 HA PRO 87 -10.193 -5.428 -5.428 638 1HB PRO 87 2HB PRO 87 -11.587 -3.561 -3.561 639 2HB PRO 87 1HB PRO 87 -11.316 -5.216 -5.216 640 1HG PRO 87 2HG PRO 87 -10.113 -2.703 -2.703 641 2HG PRO 87 1HG PRO 87 -10.257 -4.253 -4.253 642 1HD PRO 87 2HD PRO 87 -7.967 -3.175 -3.175 643 2HD PRO 87 1HD PRO 87 -8.121 -4.756 -4.756 644 H MET 88 H MET 88 -11.799 -3.267 -3.267 645 HA MET 88 HA MET 88 -9.952 -1.283 -1.283 646 1HB MET 88 2HB MET 88 -12.406 -2.694 -2.694 647 2HB MET 88 1HB MET 88 -11.556 -1.408 -1.408 648 1HG MET 88 2HG MET 88 -9.612 -2.726 -2.726 649 2HG MET 88 1HG MET 88 -10.108 -3.879 -3.879 650 1HE MET 88 1HE MET 88 -9.046 -4.110 -4.110 651 2HE MET 88 3HE MET 88 -10.201 -4.705 -4.705 652 3HE MET 88 2HE MET 88 -10.144 -2.990 -2.990 653 H SER 89 H SER 89 -11.934 -1.358 -1.358 654 HA SER 89 HA SER 89 -12.969 1.340 1.340 655 1HB SER 89 2HB SER 89 -14.566 -0.181 -0.181 656 2HB SER 89 1HB SER 89 -14.806 -1.019 -1.019 657 HG SER 89 HG SER 89 -15.846 1.339 1.339 658 H LEU 90 H LEU 90 -11.371 -0.285 -0.285 659 HA LEU 90 HA LEU 90 -10.958 -0.179 -0.179 660 1HB LEU 90 2HB LEU 90 -12.550 2.118 2.118 661 2HB LEU 90 1HB LEU 90 -12.908 1.666 1.666 662 HG LEU 90 HG LEU 90 -10.113 2.094 2.094 663 1HD1 LEU 90 3HD1 LEU 90 -11.778 4.114 4.114 664 2HD1 LEU 90 2HD1 LEU 90 -11.501 3.915 3.915 665 3HD1 LEU 90 1HD1 LEU 90 -10.147 4.261 4.261 666 1HD2 LEU 90 1HD2 LEU 90 -10.692 0.563 0.563 667 2HD2 LEU 90 3HD2 LEU 90 -9.351 1.706 1.706 668 3HD2 LEU 90 2HD2 LEU 90 -10.907 2.110 2.110 669 HA PRO 91 HA PRO 91 -14.305 -2.920 -2.920 670 1HB PRO 91 2HB PRO 91 -12.918 -4.205 -4.205 671 2HB PRO 91 1HB PRO 91 -12.748 -4.599 -4.599 672 1HG PRO 91 2HG PRO 91 -10.945 -3.072 -3.072 673 2HG PRO 91 1HG PRO 91 -10.566 -4.087 -4.087 674 1HD PRO 91 2HD PRO 91 -10.625 -1.308 -1.308 675 2HD PRO 91 1HD PRO 91 -10.694 -2.344 -2.344 676 HA PRO 92 HA PRO 92 -15.929 -0.511 -0.511 677 1HB PRO 92 2HB PRO 92 -17.815 -2.265 -2.265 678 2HB PRO 92 1HB PRO 92 -17.987 -1.353 -1.353 679 1HG PRO 92 2HG PRO 92 -17.106 -4.171 -4.171 680 2HG PRO 92 1HG PRO 92 -18.192 -3.509 -3.509 681 1HD PRO 92 2HD PRO 92 -15.616 -4.115 -4.115 682 2HD PRO 92 1HD PRO 92 -16.454 -2.764 -2.764 683 H ALA 93 H ALA 93 -14.088 -3.259 -3.259 684 HA ALA 93 HA ALA 93 -14.539 -3.310 -3.310 685 1HB ALA 93 2HB ALA 93 -13.343 -5.084 -5.084 686 2HB ALA 93 1HB ALA 93 -12.750 -5.248 -5.248 687 3HB ALA 93 3HB ALA 93 -14.462 -5.491 -5.491 688 H LEU 94 H LEU 94 -12.356 -2.191 -2.191 689 HA LEU 94 HA LEU 94 -10.167 -1.711 -1.711 690 1HB LEU 94 2HB LEU 94 -9.362 -2.769 -2.769 691 2HB LEU 94 1HB LEU 94 -10.518 -1.957 -1.957 692 HG LEU 94 HG LEU 94 -8.093 -1.232 -1.232 693 1HD1 LEU 94 2HD1 LEU 94 -10.519 0.214 0.214 694 2HD1 LEU 94 1HD1 LEU 94 -9.314 1.286 1.286 695 3HD1 LEU 94 3HD1 LEU 94 -9.025 0.575 0.575 696 1HD2 LEU 94 3HD2 LEU 94 -8.446 -0.859 -0.859 697 2HD2 LEU 94 2HD2 LEU 94 -6.989 -0.607 -0.607 698 3HD2 LEU 94 1HD2 LEU 94 -8.136 0.713 0.713 699 H VAL 95 H VAL 95 -12.776 -0.135 -0.135 700 HA VAL 95 HA VAL 95 -11.572 2.554 2.554 701 HB VAL 95 HB VAL 95 -14.368 1.511 1.511 702 1HG1 VAL 95 1HG1 VAL 95 -13.887 4.034 4.034 703 2HG1 VAL 95 3HG1 VAL 95 -13.342 4.146 4.146 704 3HG1 VAL 95 2HG1 VAL 95 -14.997 3.651 3.651 705 1HG2 VAL 95 1HG2 VAL 95 -12.160 1.031 1.031 706 2HG2 VAL 95 3HG2 VAL 95 -13.750 1.278 1.278 707 3HG2 VAL 95 2HG2 VAL 95 -12.600 2.612 2.612 708 HA PRO 96 HA PRO 96 -12.868 3.091 3.091 709 1HB PRO 96 2HB PRO 96 -11.919 5.643 5.643 710 2HB PRO 96 1HB PRO 96 -10.871 4.211 4.211 711 1HG PRO 96 2HG PRO 96 -11.325 6.119 6.119 712 2HG PRO 96 1HG PRO 96 -9.839 5.300 5.300 713 1HD PRO 96 2HD PRO 96 -11.372 4.520 4.520 714 2HD PRO 96 1HD PRO 96 -10.305 3.429 3.429 715 HA PRO 97 HA PRO 97 -16.551 5.472 5.472 716 1HB PRO 97 2HB PRO 97 -16.655 6.784 6.784 717 2HB PRO 97 1HB PRO 97 -16.929 5.037 5.037 718 1HG PRO 97 2HG PRO 97 -14.501 6.499 6.499 719 2HG PRO 97 1HG PRO 97 -15.189 4.978 4.978 720 1HD PRO 97 2HD PRO 97 -13.032 5.122 5.122 721 2HD PRO 97 1HD PRO 97 -14.133 3.731 3.731 722 H SER 98 H SER 98 -13.536 7.065 7.065 723 HA SER 98 HA SER 98 -14.383 9.808 9.808 724 1HB SER 98 2HB SER 98 -11.962 8.208 8.208 725 2HB SER 98 1HB SER 98 -11.994 9.771 9.771 726 HG SER 98 HG SER 98 -11.636 9.178 9.178 727 H LYS 99 H LYS 99 -14.225 7.412 7.412 728 HA LYS 99 HA LYS 99 -14.550 9.433 9.433 729 1HB LYS 99 2HB LYS 99 -13.277 7.060 7.060 730 2HB LYS 99 1HB LYS 99 -14.841 6.500 6.500 731 1HG LYS 99 2HG LYS 99 -14.717 8.153 8.153 732 2HG LYS 99 1HG LYS 99 -13.132 8.665 8.665 733 1HD LYS 99 2HD LYS 99 -12.678 7.097 7.097 734 2HD LYS 99 1HD LYS 99 -12.431 6.206 6.206 735 1HE LYS 99 2HE LYS 99 -13.833 4.682 4.682 736 2HE LYS 99 1HE LYS 99 -15.101 5.773 5.773 737 1HZ LYS 99 3HZ LYS 99 -13.717 6.050 6.050 738 2HZ LYS 99 2HZ LYS 99 -15.258 5.365 5.365 739 3HZ LYS 99 1HZ LYS 99 -14.999 7.004 7.004 740 H ARG 100 H ARG 100 -16.578 8.353 8.353 741 HA ARG 100 HA ARG 100 -18.879 7.816 7.816 742 1HB ARG 100 2HB ARG 100 -18.023 7.060 7.060 743 2HB ARG 100 1HB ARG 100 -19.740 7.446 7.446 744 1HG ARG 100 2HG ARG 100 -20.180 5.585 5.585 745 2HG ARG 100 1HG ARG 100 -18.737 5.791 5.791 746 1HD ARG 100 2HD ARG 100 -18.262 5.004 5.004 747 2HD ARG 100 1HD ARG 100 -18.971 3.768 3.768 748 HE ARG 100 HE ARG 100 -16.422 5.218 5.218 749 1HH1 ARG 100 1HH2 ARG 100 -16.236 2.411 2.411 750 2HH1 ARG 100 2HH2 ARG 100 -16.195 1.516 1.516 751 1HH2 ARG 100 2HH1 ARG 100 -17.392 4.141 4.141 752 2HH2 ARG 100 1HH1 ARG 100 -16.851 2.497 2.497 Start of MODEL 5 1 HA PRO 6 HA PRO 6 -13.697 -3.351 -3.351 2 1HB PRO 6 2HB PRO 6 -11.041 -3.947 -3.947 3 2HB PRO 6 1HB PRO 6 -12.250 -4.329 -4.329 4 1HG PRO 6 2HG PRO 6 -10.998 -6.104 -6.104 5 2HG PRO 6 1HG PRO 6 -11.433 -6.443 -6.443 6 1HD PRO 6 2HD PRO 6 -12.920 -7.249 -7.249 7 2HD PRO 6 1HD PRO 6 -13.595 -6.961 -6.961 8 H TRP 7 H TRP 7 -11.446 -2.152 -2.152 9 HA TRP 7 HA TRP 7 -11.827 -1.708 -1.708 10 1HB TRP 7 2HB TRP 7 -10.962 -0.033 -0.033 11 2HB TRP 7 1HB TRP 7 -9.578 -1.057 -1.057 12 HD1 TRP 7 HD1 TRP 7 -10.731 -0.861 -0.861 13 HE1 TRP 7 HE1 TRP 7 -8.973 0.417 0.417 14 HE3 TRP 7 HE3 TRP 7 -7.737 0.862 0.862 15 HZ2 TRP 7 HZ2 TRP 7 -6.605 1.970 1.970 16 HZ3 TRP 7 HZ3 TRP 7 -5.739 2.237 2.237 17 HH2 TRP 7 HH2 TRP 7 -5.169 2.792 2.792 18 H ALA 8 H ALA 8 -10.876 -2.739 -2.739 19 HA ALA 8 HA ALA 8 -9.725 -5.225 -5.225 20 1HB ALA 8 2HB ALA 8 -9.648 -2.826 -2.826 21 2HB ALA 8 1HB ALA 8 -8.353 -3.981 -3.981 22 3HB ALA 8 3HB ALA 8 -10.041 -4.489 -4.489 23 H VAL 9 H VAL 9 -8.114 -2.195 -2.195 24 HA VAL 9 HA VAL 9 -5.468 -3.527 -3.527 25 HB VAL 9 HB VAL 9 -6.459 -0.676 -0.676 26 1HG1 VAL 9 1HG1 VAL 9 -3.944 -1.922 -1.922 27 2HG1 VAL 9 3HG1 VAL 9 -3.699 -0.648 -0.648 28 3HG1 VAL 9 2HG1 VAL 9 -4.529 -0.289 -0.289 29 1HG2 VAL 9 3HG2 VAL 9 -6.481 -1.691 -1.691 30 2HG2 VAL 9 2HG2 VAL 9 -5.354 -0.340 -0.340 31 3HG2 VAL 9 1HG2 VAL 9 -4.749 -1.999 -1.999 32 H LYS 10 H LYS 10 -4.645 -4.179 -4.179 33 HA LYS 10 HA LYS 10 -6.252 -3.672 -3.672 34 1HB LYS 10 2HB LYS 10 -4.567 -5.742 -5.742 35 2HB LYS 10 1HB LYS 10 -4.020 -5.332 -5.332 36 1HG LYS 10 2HG LYS 10 -6.327 -5.625 -5.625 37 2HG LYS 10 1HG LYS 10 -6.858 -6.063 -6.063 38 1HD LYS 10 2HD LYS 10 -5.410 -8.013 -8.013 39 2HD LYS 10 1HD LYS 10 -4.709 -7.541 -7.541 40 1HE LYS 10 2HE LYS 10 -6.787 -7.931 -7.931 41 2HE LYS 10 1HE LYS 10 -7.665 -8.126 -8.126 42 1HZ LYS 10 2HZ LYS 10 -5.291 -9.778 -9.778 43 2HZ LYS 10 1HZ LYS 10 -6.700 -10.198 -10.198 44 3HZ LYS 10 3HZ LYS 10 -6.720 -10.141 -10.141 45 HA PRO 11 HA PRO 11 -3.329 -1.038 -1.038 46 1HB PRO 11 2HB PRO 11 -2.620 -2.282 -2.282 47 2HB PRO 11 1HB PRO 11 -4.209 -1.533 -1.533 48 1HG PRO 11 2HG PRO 11 -3.420 -4.400 -4.400 49 2HG PRO 11 1HG PRO 11 -4.890 -3.667 -3.667 50 1HD PRO 11 2HD PRO 11 -4.807 -4.854 -4.854 51 2HD PRO 11 1HD PRO 11 -5.902 -3.509 -3.509 52 H GLU 12 H GLU 12 -2.238 -4.425 -4.425 53 HA GLU 12 HA GLU 12 0.581 -3.811 -3.811 54 1HB GLU 12 2HB GLU 12 0.774 -6.199 -6.199 55 2HB GLU 12 1HB GLU 12 -0.389 -5.986 -5.986 56 1HG GLU 12 2HG GLU 12 -2.104 -6.684 -6.684 57 2HG GLU 12 1HG GLU 12 -1.620 -5.633 -5.633 58 H ASP 13 H ASP 13 -1.689 -3.869 -3.869 59 HA ASP 13 HA ASP 13 0.373 -3.937 -3.937 60 1HB ASP 13 2HB ASP 13 -2.437 -4.330 -4.330 61 2HB ASP 13 1HB ASP 13 -2.210 -2.996 -2.996 62 H LYS 14 H LYS 14 -1.814 -1.591 -1.591 63 HA LYS 14 HA LYS 14 -1.039 0.673 0.673 64 1HB LYS 14 2HB LYS 14 -3.070 0.784 0.784 65 2HB LYS 14 1HB LYS 14 -2.315 0.200 0.200 66 1HG LYS 14 2HG LYS 14 -2.767 2.617 2.617 67 2HG LYS 14 1HG LYS 14 -1.031 2.304 2.304 68 1HD LYS 14 2HD LYS 14 -0.791 3.655 3.655 69 2HD LYS 14 1HD LYS 14 -1.788 2.549 2.549 70 1HE LYS 14 2HE LYS 14 -3.809 3.725 3.725 71 2HE LYS 14 1HE LYS 14 -2.941 4.708 4.708 72 1HZ LYS 14 2HZ LYS 14 -1.438 5.311 5.311 73 2HZ LYS 14 1HZ LYS 14 -2.718 4.765 4.765 74 3HZ LYS 14 3HZ LYS 14 -2.961 6.058 6.058 75 H ALA 15 H ALA 15 0.457 -1.029 -1.029 76 HA ALA 15 HA ALA 15 2.120 1.155 1.155 77 1HB ALA 15 2HB ALA 15 1.900 -1.821 -1.821 78 2HB ALA 15 1HB ALA 15 3.402 -1.050 -1.050 79 3HB ALA 15 3HB ALA 15 1.871 -0.570 -0.570 80 H LYS 16 H LYS 16 2.565 -1.559 -1.559 81 HA LYS 16 HA LYS 16 5.294 -0.725 -0.725 82 1HB LYS 16 2HB LYS 16 5.349 -2.808 -2.808 83 2HB LYS 16 1HB LYS 16 3.822 -3.052 -3.052 84 1HG LYS 16 2HG LYS 16 2.554 -2.550 -2.550 85 2HG LYS 16 1HG LYS 16 3.952 -1.876 -1.876 86 1HD LYS 16 2HD LYS 16 3.934 -3.964 -3.964 87 2HD LYS 16 1HD LYS 16 4.924 -4.325 -4.325 88 1HE LYS 16 2HE LYS 16 2.109 -4.533 -4.533 89 2HE LYS 16 1HE LYS 16 2.504 -5.581 -5.581 90 1HZ LYS 16 2HZ LYS 16 4.581 -6.161 -6.161 91 2HZ LYS 16 1HZ LYS 16 3.770 -5.503 -5.503 92 3HZ LYS 16 3HZ LYS 16 3.112 -6.836 -6.836 93 H TYR 17 H TYR 17 2.037 -0.149 -0.149 94 HA TYR 17 HA TYR 17 2.670 0.935 0.935 95 1HB TYR 17 2HB TYR 17 0.335 1.255 1.255 96 2HB TYR 17 1HB TYR 17 0.327 1.847 1.847 97 HD1 TYR 17 HD1 TYR 17 2.272 -1.100 -1.100 98 HD2 TYR 17 HD2 TYR 17 -1.800 0.253 0.253 99 HE1 TYR 17 HE1 TYR 17 1.539 -3.332 -3.332 100 HE2 TYR 17 HE2 TYR 17 -2.539 -1.979 -1.979 101 HH TYR 17 HH TYR 17 -0.310 -4.366 -4.366 102 H ASP 18 H ASP 18 2.359 2.189 2.189 103 HA ASP 18 HA ASP 18 2.633 5.004 5.004 104 1HB ASP 18 2HB ASP 18 2.245 3.352 3.352 105 2HB ASP 18 1HB ASP 18 3.076 4.888 4.888 106 H ALA 19 H ALA 19 4.767 2.391 2.391 107 HA ALA 19 HA ALA 19 7.071 4.097 4.097 108 1HB ALA 19 1HB ALA 19 6.511 1.153 1.153 109 2HB ALA 19 3HB ALA 19 8.172 1.733 1.733 110 3HB ALA 19 2HB ALA 19 7.064 1.982 1.982 111 H ILE 20 H ILE 20 5.701 2.263 2.263 112 HA ILE 20 HA ILE 20 7.885 2.724 2.724 113 HB ILE 20 HB ILE 20 5.010 1.771 1.771 114 1HG1 ILE 20 2HG1 ILE 20 7.531 0.246 0.246 115 2HG1 ILE 20 1HG1 ILE 20 6.925 0.357 0.357 116 1HG2 ILE 20 2HG2 ILE 20 7.001 2.124 2.124 117 2HG2 ILE 20 1HG2 ILE 20 5.591 1.072 1.072 118 3HG2 ILE 20 3HG2 ILE 20 5.380 2.804 2.804 119 1HD1 ILE 20 2HD1 ILE 20 4.694 -0.469 -0.469 120 2HD1 ILE 20 1HD1 ILE 20 5.486 -0.789 -0.789 121 3HD1 ILE 20 3HD1 ILE 20 6.000 -1.654 -1.654 122 H PHE 21 H PHE 21 4.751 4.127 4.127 123 HA PHE 21 HA PHE 21 4.570 6.027 6.027 124 1HB PHE 21 2HB PHE 21 2.575 5.750 5.750 125 2HB PHE 21 1HB PHE 21 3.380 5.515 5.515 126 HD1 PHE 21 HD2 PHE 21 4.415 7.541 7.541 127 HD2 PHE 21 HD1 PHE 21 1.697 7.865 7.865 128 HE1 PHE 21 HE2 PHE 21 3.974 9.908 9.908 129 HE2 PHE 21 HE1 PHE 21 1.256 10.233 10.233 130 HZ PHE 21 HZ PHE 21 2.396 11.249 11.249 131 H ASP 22 H ASP 22 6.084 6.060 6.060 132 HA ASP 22 HA ASP 22 6.989 8.852 8.852 133 1HB ASP 22 2HB ASP 22 6.277 8.313 8.313 134 2HB ASP 22 1HB ASP 22 7.022 6.713 6.713 135 H SER 23 H SER 23 8.025 5.918 5.918 136 HA SER 23 HA SER 23 10.929 6.379 6.379 137 1HB SER 23 2HB SER 23 9.821 4.111 4.111 138 2HB SER 23 1HB SER 23 9.441 4.276 4.276 139 HG SER 23 HG SER 23 11.649 4.383 4.383 140 H LEU 24 H LEU 24 8.581 7.587 7.587 141 HA LEU 24 HA LEU 24 10.313 7.799 7.799 142 1HB LEU 24 2HB LEU 24 7.475 8.727 8.727 143 2HB LEU 24 1HB LEU 24 8.325 7.887 7.887 144 HG LEU 24 HG LEU 24 7.513 6.571 6.571 145 1HD1 LEU 24 1HD1 LEU 24 5.728 7.514 7.514 146 2HD1 LEU 24 3HD1 LEU 24 6.070 5.921 5.921 147 3HD1 LEU 24 2HD1 LEU 24 5.457 6.069 6.069 148 1HD2 LEU 24 3HD2 LEU 24 8.985 5.795 5.795 149 2HD2 LEU 24 2HD2 LEU 24 8.924 5.002 5.002 150 3HD2 LEU 24 1HD2 LEU 24 7.660 4.696 4.696 151 H SER 25 H SER 25 9.332 9.419 9.419 152 HA SER 25 HA SER 25 9.833 11.641 11.641 153 1HB SER 25 2HB SER 25 10.279 12.475 12.475 154 2HB SER 25 1HB SER 25 11.129 12.981 12.981 155 HG SER 25 HG SER 25 11.908 10.731 10.731 156 HA PRO 26 HA PRO 26 5.530 12.205 12.205 157 1HB PRO 26 2HB PRO 26 4.568 12.714 12.714 158 2HB PRO 26 1HB PRO 26 4.761 11.073 11.073 159 1HG PRO 26 2HG PRO 26 6.528 12.591 12.591 160 2HG PRO 26 1HG PRO 26 6.069 10.881 10.881 161 1HD PRO 26 2HD PRO 26 8.467 11.748 11.748 162 2HD PRO 26 1HD PRO 26 7.656 10.296 10.296 163 H VAL 27 H VAL 27 4.413 14.167 14.167 164 HA VAL 27 HA VAL 27 5.924 16.584 16.584 165 HB VAL 27 HB VAL 27 4.057 16.206 16.206 166 1HG1 VAL 27 2HG1 VAL 27 4.545 18.539 18.539 167 2HG1 VAL 27 1HG1 VAL 27 6.104 18.382 18.382 168 3HG1 VAL 27 3HG1 VAL 27 4.618 18.381 18.381 169 1HG2 VAL 27 1HG2 VAL 27 6.844 15.474 15.474 170 2HG2 VAL 27 3HG2 VAL 27 5.802 15.130 15.130 171 3HG2 VAL 27 2HG2 VAL 27 6.687 16.654 16.654 172 H ASN 28 H ASN 28 4.839 17.164 17.164 173 HA ASN 28 HA ASN 28 3.062 17.958 17.958 174 1HB ASN 28 2HB ASN 28 2.895 19.435 19.435 175 2HB ASN 28 1HB ASN 28 1.775 18.277 18.277 176 1HD2 ASN 28 1HD2 ASN 28 -0.354 18.038 18.038 177 2HD2 ASN 28 2HD2 ASN 28 -0.963 19.227 19.227 178 H GLY 29 H GLY 29 3.224 15.073 15.073 179 1HA GLY 29 2HA GLY 29 1.943 13.197 13.197 180 2HA GLY 29 1HA GLY 29 0.548 14.260 14.260 181 H PHE 30 H PHE 30 2.605 13.963 13.963 182 HA PHE 30 HA PHE 30 0.434 12.566 12.566 183 1HB PHE 30 2HB PHE 30 1.490 15.352 15.352 184 2HB PHE 30 1HB PHE 30 0.590 14.443 14.443 185 HD1 PHE 30 HD2 PHE 30 -1.737 13.837 13.837 186 HD2 PHE 30 HD1 PHE 30 0.417 16.156 16.156 187 HE1 PHE 30 HE2 PHE 30 -3.882 14.466 14.466 188 HE2 PHE 30 HE1 PHE 30 -1.711 16.777 16.777 189 HZ PHE 30 HZ PHE 30 -3.867 15.938 15.938 190 H LEU 31 H LEU 31 1.145 11.817 11.817 191 HA LEU 31 HA LEU 31 4.109 11.883 11.883 192 1HB LEU 31 2HB LEU 31 2.224 9.506 9.506 193 2HB LEU 31 1HB LEU 31 3.864 9.456 9.456 194 HG LEU 31 HG LEU 31 3.341 10.399 10.399 195 1HD1 LEU 31 3HD1 LEU 31 3.845 7.556 7.556 196 2HD1 LEU 31 2HD1 LEU 31 3.826 8.090 8.090 197 3HD1 LEU 31 1HD1 LEU 31 2.348 8.150 8.150 198 1HD2 LEU 31 1HD2 LEU 31 5.671 9.544 9.544 199 2HD2 LEU 31 3HD2 LEU 31 5.545 10.887 10.887 200 3HD2 LEU 31 2HD2 LEU 31 5.735 9.236 9.236 201 H SER 32 H SER 32 4.578 12.392 12.392 202 HA SER 32 HA SER 32 2.419 12.919 12.919 203 1HB SER 32 2HB SER 32 4.125 13.982 13.982 204 2HB SER 32 1HB SER 32 4.648 14.168 14.168 205 HG SER 32 HG SER 32 6.209 12.742 12.742 206 H GLY 33 H GLY 33 1.894 11.746 11.746 207 1HA GLY 33 2HA GLY 33 2.301 8.978 8.978 208 2HA GLY 33 1HA GLY 33 1.927 9.964 9.964 209 H ASP 34 H ASP 34 4.436 11.575 11.575 210 HA ASP 34 HA ASP 34 6.240 9.941 9.941 211 1HB ASP 34 2HB ASP 34 6.551 12.626 12.626 212 2HB ASP 34 1HB ASP 34 7.632 11.993 11.993 213 H LYS 35 H LYS 35 5.634 10.289 10.289 214 HA LYS 35 HA LYS 35 8.383 9.510 9.510 215 1HB LYS 35 2HB LYS 35 7.257 11.298 11.298 216 2HB LYS 35 1HB LYS 35 5.815 10.305 10.305 217 1HG LYS 35 2HG LYS 35 6.888 8.844 8.844 218 2HG LYS 35 1HG LYS 35 8.493 9.436 9.436 219 1HD LYS 35 2HD LYS 35 6.343 11.045 11.045 220 2HD LYS 35 1HD LYS 35 7.795 10.387 10.387 221 1HE LYS 35 2HE LYS 35 8.929 12.244 12.244 222 2HE LYS 35 1HE LYS 35 8.597 11.856 11.856 223 1HZ LYS 35 2HZ LYS 35 6.356 12.808 12.808 224 2HZ LYS 35 1HZ LYS 35 6.813 13.319 13.319 225 3HZ LYS 35 3HZ LYS 35 7.591 13.959 13.959 226 H VAL 36 H VAL 36 5.019 8.504 8.504 227 HA VAL 36 HA VAL 36 5.589 5.901 5.901 228 HB VAL 36 HB VAL 36 3.154 7.144 7.144 229 1HG1 VAL 36 2HG1 VAL 36 3.524 4.666 4.666 230 2HG1 VAL 36 1HG1 VAL 36 1.957 5.423 5.423 231 3HG1 VAL 36 3HG1 VAL 36 2.863 4.763 4.763 232 1HG2 VAL 36 1HG2 VAL 36 4.234 7.089 7.089 233 2HG2 VAL 36 3HG2 VAL 36 3.761 8.488 8.488 234 3HG2 VAL 36 2HG2 VAL 36 2.528 7.392 7.392 235 H LYS 37 H LYS 37 4.932 7.139 7.139 236 HA LYS 37 HA LYS 37 4.218 4.945 4.945 237 1HB LYS 37 2HB LYS 37 4.557 6.976 6.976 238 2HB LYS 37 1HB LYS 37 6.178 7.184 7.184 239 1HG LYS 37 2HG LYS 37 7.139 5.841 5.841 240 2HG LYS 37 1HG LYS 37 5.743 4.764 4.764 241 1HD LYS 37 2HD LYS 37 4.941 7.352 7.352 242 2HD LYS 37 1HD LYS 37 6.415 6.886 6.886 243 1HE LYS 37 2HE LYS 37 4.999 5.700 5.700 244 2HE LYS 37 1HE LYS 37 4.967 4.532 4.532 245 1HZ LYS 37 3HZ LYS 37 3.263 6.466 6.466 246 2HZ LYS 37 2HZ LYS 37 2.942 6.399 6.399 247 3HZ LYS 37 1HZ LYS 37 2.797 5.001 5.001 248 HA PRO 38 HA PRO 38 8.729 3.297 3.297 249 1HB PRO 38 2HB PRO 38 10.455 4.225 4.225 250 2HB PRO 38 1HB PRO 38 10.318 4.953 4.953 251 1HG PRO 38 2HG PRO 38 9.078 5.811 5.811 252 2HG PRO 38 1HG PRO 38 9.849 6.793 6.793 253 1HD PRO 38 2HD PRO 38 7.185 6.620 6.620 254 2HD PRO 38 1HD PRO 38 7.987 6.720 6.720 255 H VAL 39 H VAL 39 7.332 4.202 4.202 256 HA VAL 39 HA VAL 39 8.203 1.845 1.845 257 HB VAL 39 HB VAL 39 6.254 4.115 4.115 258 1HG1 VAL 39 3HG1 VAL 39 5.160 2.009 2.009 259 2HG1 VAL 39 2HG1 VAL 39 6.518 1.830 1.830 260 3HG1 VAL 39 1HG1 VAL 39 5.454 3.231 3.231 261 1HG2 VAL 39 2HG2 VAL 39 8.894 3.837 3.837 262 2HG2 VAL 39 1HG2 VAL 39 7.814 4.910 4.910 263 3HG2 VAL 39 3HG2 VAL 39 8.182 3.305 3.305 264 H LEU 40 H LEU 40 5.938 2.339 2.339 265 HA LEU 40 HA LEU 40 4.193 0.095 0.095 266 1HB LEU 40 2HB LEU 40 4.065 2.141 2.141 267 2HB LEU 40 1HB LEU 40 2.880 0.853 0.853 268 HG LEU 40 HG LEU 40 3.527 3.034 3.034 269 1HD1 LEU 40 2HD1 LEU 40 1.193 2.442 2.442 270 2HD1 LEU 40 1HD1 LEU 40 1.000 3.436 3.436 271 3HD1 LEU 40 3HD1 LEU 40 2.102 3.944 3.944 272 1HD2 LEU 40 1HD2 LEU 40 2.148 0.416 0.416 273 2HD2 LEU 40 3HD2 LEU 40 2.939 1.387 1.387 274 3HD2 LEU 40 2HD2 LEU 40 1.303 1.790 1.790 275 H LEU 41 H LEU 41 6.851 0.849 0.849 276 HA LEU 41 HA LEU 41 6.433 -1.411 -1.411 277 1HB LEU 41 2HB LEU 41 8.687 0.579 0.579 278 2HB LEU 41 1HB LEU 41 8.555 -0.537 -0.537 279 HG LEU 41 HG LEU 41 6.174 1.147 1.147 280 1HD1 LEU 41 3HD1 LEU 41 8.815 2.277 2.277 281 2HD1 LEU 41 2HD1 LEU 41 7.867 2.705 2.705 282 3HD1 LEU 41 1HD1 LEU 41 7.273 3.109 3.109 283 1HD2 LEU 41 3HD2 LEU 41 6.751 -0.560 -0.560 284 2HD2 LEU 41 2HD2 LEU 41 5.889 0.933 0.933 285 3HD2 LEU 41 1HD2 LEU 41 7.624 0.813 0.813 286 H ASN 42 H ASN 42 8.640 -0.463 -0.463 287 HA ASN 42 HA ASN 42 10.433 -2.611 -2.611 288 1HB ASN 42 2HB ASN 42 10.843 -2.075 -2.075 289 2HB ASN 42 1HB ASN 42 10.279 -0.571 -0.571 290 1HD2 ASN 42 1HD2 ASN 42 7.576 -0.711 -0.711 291 2HD2 ASN 42 2HD2 ASN 42 6.943 -1.006 -1.006 292 H SER 43 H SER 43 7.031 -2.623 -2.623 293 HA SER 43 HA SER 43 6.917 -5.095 -5.095 294 1HB SER 43 2HB SER 43 4.843 -4.232 -4.232 295 2HB SER 43 1HB SER 43 5.187 -3.064 -3.064 296 HG SER 43 HG SER 43 3.440 -4.811 -4.811 297 H LYS 44 H LYS 44 7.786 -4.504 -4.504 298 HA LYS 44 HA LYS 44 8.279 -6.039 -6.039 299 1HB LYS 44 2HB LYS 44 8.345 -7.525 -7.525 300 2HB LYS 44 1HB LYS 44 6.943 -8.264 -8.264 301 1HG LYS 44 2HG LYS 44 8.466 -9.511 -9.511 302 2HG LYS 44 1HG LYS 44 8.709 -8.059 -8.059 303 1HD LYS 44 2HD LYS 44 10.849 -8.025 -8.025 304 2HD LYS 44 1HD LYS 44 10.255 -7.684 -7.684 305 1HE LYS 44 2HE LYS 44 9.876 -10.469 -10.469 306 2HE LYS 44 1HE LYS 44 11.529 -10.079 -10.079 307 1HZ LYS 44 2HZ LYS 44 10.356 -9.010 -9.010 308 2HZ LYS 44 1HZ LYS 44 11.197 -10.486 -10.486 309 3HZ LYS 44 3HZ LYS 44 11.992 -9.047 -9.047 310 H LEU 45 H LEU 45 5.382 -4.924 -4.924 311 HA LEU 45 HA LEU 45 3.621 -6.652 -6.652 312 1HB LEU 45 2HB LEU 45 3.423 -4.201 -4.201 313 2HB LEU 45 1HB LEU 45 2.114 -4.537 -4.537 314 HG LEU 45 HG LEU 45 3.167 -6.497 -6.497 315 1HD1 LEU 45 3HD1 LEU 45 1.660 -4.285 -4.285 316 2HD1 LEU 45 2HD1 LEU 45 0.399 -5.459 -5.459 317 3HD1 LEU 45 1HD1 LEU 45 1.552 -5.784 -5.784 318 1HD2 LEU 45 3HD2 LEU 45 1.859 -7.035 -7.035 319 2HD2 LEU 45 2HD2 LEU 45 1.787 -8.054 -8.054 320 3HD2 LEU 45 1HD2 LEU 45 0.514 -6.876 -6.876 321 HA PRO 46 HA PRO 46 4.168 -4.423 -4.423 322 1HB PRO 46 2HB PRO 46 1.725 -4.816 -4.816 323 2HB PRO 46 1HB PRO 46 2.961 -6.081 -6.081 324 1HG PRO 46 2HG PRO 46 0.496 -5.681 -5.681 325 2HG PRO 46 1HG PRO 46 1.306 -7.178 -7.178 326 1HD PRO 46 2HD PRO 46 1.455 -6.032 -6.032 327 2HD PRO 46 1HD PRO 46 2.619 -7.198 -7.198 328 H VAL 47 H VAL 47 3.329 -2.535 -2.535 329 HA VAL 47 HA VAL 47 2.599 -0.338 -0.338 330 HB VAL 47 HB VAL 47 2.569 -0.852 -0.852 331 1HG1 VAL 47 2HG1 VAL 47 0.977 0.979 0.979 332 2HG1 VAL 47 1HG1 VAL 47 2.336 1.824 1.824 333 3HG1 VAL 47 3HG1 VAL 47 2.320 1.535 1.535 334 1HG2 VAL 47 1HG2 VAL 47 4.522 0.143 0.143 335 2HG2 VAL 47 3HG2 VAL 47 4.800 -0.803 -0.803 336 3HG2 VAL 47 2HG2 VAL 47 4.532 0.937 0.937 337 H ASP 48 H ASP 48 0.628 -2.827 -2.827 338 HA ASP 48 HA ASP 48 -1.791 -1.257 -1.257 339 1HB ASP 48 2HB ASP 48 -0.888 -4.063 -4.063 340 2HB ASP 48 1HB ASP 48 -2.573 -3.828 -3.828 341 H ILE 49 H ILE 49 -0.400 -3.269 -3.269 342 HA ILE 49 HA ILE 49 -2.586 -3.059 -3.059 343 HB ILE 49 HB ILE 49 0.380 -3.269 -3.269 344 1HG1 ILE 49 2HG1 ILE 49 -0.101 -4.912 -4.912 345 2HG1 ILE 49 1HG1 ILE 49 -0.011 -5.749 -5.749 346 1HG2 ILE 49 2HG2 ILE 49 -1.968 -3.321 -3.321 347 2HG2 ILE 49 1HG2 ILE 49 -1.319 -4.961 -4.961 348 3HG2 ILE 49 3HG2 ILE 49 -0.304 -3.622 -3.622 349 1HD1 ILE 49 3HD1 ILE 49 -2.670 -5.051 -5.051 350 2HD1 ILE 49 2HD1 ILE 49 -2.304 -5.411 -5.411 351 3HD1 ILE 49 1HD1 ILE 49 -2.016 -6.627 -6.627 352 H LEU 50 H LEU 50 0.392 -1.233 -1.233 353 HA LEU 50 HA LEU 50 0.095 0.694 0.694 354 1HB LEU 50 2HB LEU 50 1.309 1.092 1.092 355 2HB LEU 50 1HB LEU 50 1.809 1.855 1.855 356 HG LEU 50 HG LEU 50 2.252 -0.963 -0.963 357 1HD1 LEU 50 3HD1 LEU 50 3.861 1.322 1.322 358 2HD1 LEU 50 2HD1 LEU 50 4.463 -0.320 -0.320 359 3HD1 LEU 50 1HD1 LEU 50 4.172 0.302 0.302 360 1HD2 LEU 50 2HD2 LEU 50 1.673 -0.081 -0.081 361 2HD2 LEU 50 1HD2 LEU 50 1.476 -1.670 -1.670 362 3HD2 LEU 50 3HD2 LEU 50 3.068 -1.135 -1.135 363 H GLY 51 H GLY 51 -1.616 0.255 0.255 364 1HA GLY 51 2HA GLY 51 -2.509 3.060 3.060 365 2HA GLY 51 1HA GLY 51 -3.040 1.748 1.748 366 H ARG 52 H ARG 52 -3.629 -0.045 -0.045 367 HA ARG 52 HA ARG 52 -6.281 1.061 1.061 368 1HB ARG 52 2HB ARG 52 -4.976 -1.567 -1.567 369 2HB ARG 52 1HB ARG 52 -6.176 -1.498 -1.498 370 1HG ARG 52 2HG ARG 52 -7.804 -0.518 -0.518 371 2HG ARG 52 1HG ARG 52 -6.609 -0.726 -0.726 372 1HD ARG 52 2HD ARG 52 -7.174 -3.135 -3.135 373 2HD ARG 52 1HD ARG 52 -8.458 -2.617 -2.617 374 HE ARG 52 HE ARG 52 -5.856 -2.546 -2.546 375 1HH1 ARG 52 1HH2 ARG 52 -7.900 -4.899 -4.899 376 2HH1 ARG 52 2HH2 ARG 52 -7.861 -5.958 -5.958 377 1HH2 ARG 52 2HH1 ARG 52 -6.033 -3.768 -3.768 378 2HH2 ARG 52 1HH1 ARG 52 -6.804 -5.317 -5.317 379 H VAL 53 H VAL 53 -3.633 -0.691 -0.691 380 HA VAL 53 HA VAL 53 -4.422 -0.462 -0.462 381 HB VAL 53 HB VAL 53 -1.758 -0.249 -0.249 382 1HG1 VAL 53 1HG1 VAL 53 -2.320 0.556 0.556 383 2HG1 VAL 53 3HG1 VAL 53 -1.366 -0.924 -0.924 384 3HG1 VAL 53 2HG1 VAL 53 -0.764 0.497 0.497 385 1HG2 VAL 53 3HG2 VAL 53 -3.145 -2.380 -2.380 386 2HG2 VAL 53 2HG2 VAL 53 -1.506 -2.516 -2.516 387 3HG2 VAL 53 1HG2 VAL 53 -2.879 -2.376 -2.376 388 H TRP 54 H TRP 54 -2.922 2.079 2.079 389 HA TRP 54 HA TRP 54 -2.795 3.998 3.998 390 1HB TRP 54 2HB TRP 54 -1.297 4.198 4.198 391 2HB TRP 54 1HB TRP 54 -2.652 4.227 4.227 392 HD1 TRP 54 HD1 TRP 54 -4.332 6.368 6.368 393 HE1 TRP 54 HE1 TRP 54 -3.849 8.800 8.800 394 HE3 TRP 54 HE3 TRP 54 0.147 5.730 5.730 395 HZ2 TRP 54 HZ2 TRP 54 -1.822 10.281 10.281 396 HZ3 TRP 54 HZ3 TRP 54 1.334 7.664 7.664 397 HH2 TRP 54 HH2 TRP 54 0.356 9.940 9.940 398 H GLU 55 H GLU 55 -4.832 3.918 3.918 399 HA GLU 55 HA GLU 55 -6.598 5.993 5.993 400 1HB GLU 55 2HB GLU 55 -7.165 3.356 3.356 401 2HB GLU 55 1HB GLU 55 -8.173 4.799 4.799 402 1HG GLU 55 2HG GLU 55 -5.241 4.874 4.874 403 2HG GLU 55 1HG GLU 55 -6.463 4.406 4.406 404 H LEU 56 H LEU 56 -6.441 2.691 2.691 405 HA LEU 56 HA LEU 56 -8.979 2.918 2.918 406 1HB LEU 56 2HB LEU 56 -6.857 0.750 0.750 407 2HB LEU 56 1HB LEU 56 -8.492 0.553 0.553 408 HG LEU 56 HG LEU 56 -7.901 1.469 1.469 409 1HD1 LEU 56 1HD1 LEU 56 -7.392 -1.058 -1.058 410 2HD1 LEU 56 3HD1 LEU 56 -9.036 -1.210 -1.210 411 3HD1 LEU 56 2HD1 LEU 56 -7.736 -0.676 -0.676 412 1HD2 LEU 56 1HD2 LEU 56 -10.304 1.064 1.064 413 2HD2 LEU 56 3HD2 LEU 56 -10.094 2.042 2.042 414 3HD2 LEU 56 2HD2 LEU 56 -10.396 0.310 0.310 415 H SER 57 H SER 57 -5.640 3.539 3.539 416 HA SER 57 HA SER 57 -5.781 3.323 3.323 417 1HB SER 57 2HB SER 57 -3.618 3.670 3.670 418 2HB SER 57 1HB SER 57 -3.292 3.957 3.957 419 HG SER 57 HG SER 57 -3.494 1.635 1.635 420 H ASP 58 H ASP 58 -5.627 5.648 5.648 421 HA ASP 58 HA ASP 58 -5.035 7.924 7.924 422 1HB ASP 58 2HB ASP 58 -4.523 7.479 7.479 423 2HB ASP 58 1HB ASP 58 -6.163 8.081 8.081 424 H ILE 59 H ILE 59 -7.005 7.154 7.154 425 HA ILE 59 HA ILE 59 -9.678 7.219 7.219 426 HB ILE 59 HB ILE 59 -8.231 8.634 8.634 427 1HG1 ILE 59 2HG1 ILE 59 -7.712 6.232 6.232 428 2HG1 ILE 59 1HG1 ILE 59 -8.717 6.543 6.543 429 1HG2 ILE 59 1HG2 ILE 59 -10.693 9.245 9.245 430 2HG2 ILE 59 3HG2 ILE 59 -11.060 7.592 7.592 431 3HG2 ILE 59 2HG2 ILE 59 -10.280 8.701 8.701 432 1HD1 ILE 59 1HD1 ILE 59 -10.726 5.871 5.871 433 2HD1 ILE 59 3HD1 ILE 59 -9.707 5.536 5.536 434 3HD1 ILE 59 2HD1 ILE 59 -9.535 4.570 4.570 435 H ASP 60 H ASP 60 -7.465 9.947 9.947 436 HA ASP 60 HA ASP 60 -9.671 11.863 11.863 437 1HB ASP 60 2HB ASP 60 -8.216 12.790 12.790 438 2HB ASP 60 1HB ASP 60 -6.835 11.891 11.891 439 H HIS 61 H HIS 61 -6.976 10.250 10.250 440 HA HIS 61 HA HIS 61 -6.407 10.131 10.131 441 1HB HIS 61 2HB HIS 61 -9.056 11.513 11.513 442 2HB HIS 61 1HB HIS 61 -8.255 10.322 10.322 443 HD1 HIS 61 HD1 HIS 61 -8.376 7.822 7.822 444 HD2 HIS 61 HD2 HIS 61 -10.513 10.425 10.425 445 HE1 HIS 61 HE1 HIS 61 -9.856 6.377 6.377 446 H ASP 62 H ASP 62 -5.348 12.344 12.344 447 HA ASP 62 HA ASP 62 -5.682 14.594 14.594 448 1HB ASP 62 2HB ASP 62 -5.203 16.035 16.035 449 2HB ASP 62 1HB ASP 62 -6.211 14.774 14.774 450 H GLY 63 H GLY 63 -3.809 12.059 12.059 451 1HA GLY 63 2HA GLY 63 -1.704 11.789 11.789 452 2HA GLY 63 1HA GLY 63 -1.425 13.525 13.525 453 H MET 64 H MET 64 -2.524 12.366 12.366 454 HA MET 64 HA MET 64 0.209 11.683 11.683 455 1HB MET 64 2HB MET 64 -1.458 14.060 14.060 456 2HB MET 64 1HB MET 64 -0.797 13.314 13.314 457 1HG MET 64 2HG MET 64 1.445 13.423 13.423 458 2HG MET 64 1HG MET 64 0.829 14.024 14.024 459 1HE MET 64 2HE MET 64 3.014 15.216 15.216 460 2HE MET 64 1HE MET 64 2.913 16.804 16.804 461 3HE MET 64 3HE MET 64 2.911 15.340 15.340 462 H LEU 65 H LEU 65 0.173 10.558 10.558 463 HA LEU 65 HA LEU 65 -2.493 9.319 9.319 464 1HB LEU 65 2HB LEU 65 0.355 8.276 8.276 465 2HB LEU 65 1HB LEU 65 -0.971 7.406 7.406 466 HG LEU 65 HG LEU 65 -1.046 8.276 8.276 467 1HD1 LEU 65 1HD1 LEU 65 0.291 5.978 5.978 468 2HD1 LEU 65 3HD1 LEU 65 -0.703 5.576 5.576 469 3HD1 LEU 65 2HD1 LEU 65 0.623 6.728 6.728 470 1HD2 LEU 65 1HD2 LEU 65 -3.211 7.780 7.780 471 2HD2 LEU 65 3HD2 LEU 65 -2.826 6.570 6.570 472 3HD2 LEU 65 2HD2 LEU 65 -2.594 6.201 6.201 473 H ASP 66 H ASP 66 -3.183 10.208 10.208 474 HA ASP 66 HA ASP 66 -1.345 11.385 11.385 475 1HB ASP 66 2HB ASP 66 -4.187 10.513 10.513 476 2HB ASP 66 1HB ASP 66 -3.336 11.920 11.920 477 H ARG 67 H ARG 67 -0.957 10.564 10.564 478 HA ARG 67 HA ARG 67 0.064 8.093 8.093 479 1HB ARG 67 2HB ARG 67 -1.009 8.353 8.353 480 2HB ARG 67 1HB ARG 67 0.159 9.541 9.541 481 1HG ARG 67 2HG ARG 67 -1.379 11.186 11.186 482 2HG ARG 67 1HG ARG 67 -2.523 10.244 10.244 483 1HD ARG 67 2HD ARG 67 -3.761 9.962 9.962 484 2HD ARG 67 1HD ARG 67 -2.422 9.023 9.023 485 HE ARG 67 HE ARG 67 -1.455 11.275 11.275 486 1HH1 ARG 67 1HH2 ARG 67 -4.038 10.372 10.372 487 2HH1 ARG 67 2HH2 ARG 67 -4.889 11.877 11.877 488 1HH2 ARG 67 2HH1 ARG 67 -2.883 13.434 13.434 489 2HH2 ARG 67 1HH1 ARG 67 -4.237 13.610 13.610 490 H ASP 68 H ASP 68 -3.415 8.775 8.775 491 HA ASP 68 HA ASP 68 -4.126 6.021 6.021 492 1HB ASP 68 2HB ASP 68 -6.434 6.967 6.967 493 2HB ASP 68 1HB ASP 68 -5.515 7.860 7.860 494 H GLU 69 H GLU 69 -4.317 8.060 8.060 495 HA GLU 69 HA GLU 69 -5.477 6.127 6.127 496 1HB GLU 69 2HB GLU 69 -3.519 8.375 8.375 497 2HB GLU 69 1HB GLU 69 -4.655 7.661 7.661 498 1HG GLU 69 2HG GLU 69 -6.459 8.319 8.319 499 2HG GLU 69 1HG GLU 69 -5.217 9.421 9.421 500 H PHE 70 H PHE 70 -2.080 7.000 7.000 501 HA PHE 70 HA PHE 70 -0.869 5.191 5.191 502 1HB PHE 70 2HB PHE 70 0.178 7.094 7.094 503 2HB PHE 70 1HB PHE 70 0.121 6.085 6.085 504 HD1 PHE 70 HD2 PHE 70 1.510 4.080 4.080 505 HD2 PHE 70 HD1 PHE 70 1.684 6.575 6.575 506 HE1 PHE 70 HE2 PHE 70 3.598 2.942 2.942 507 HE2 PHE 70 HE1 PHE 70 3.771 5.437 5.437 508 HZ PHE 70 HZ PHE 70 4.722 3.628 3.628 509 H ALA 71 H ALA 71 -2.385 4.693 4.693 510 HA ALA 71 HA ALA 71 -1.153 2.165 2.165 511 1HB ALA 71 2HB ALA 71 -2.771 3.956 3.956 512 2HB ALA 71 1HB ALA 71 -3.966 2.743 2.743 513 3HB ALA 71 3HB ALA 71 -2.593 2.293 2.293 514 H VAL 72 H VAL 72 -4.190 3.040 3.040 515 HA VAL 72 HA VAL 72 -5.123 0.383 0.383 516 HB VAL 72 HB VAL 72 -5.475 2.954 2.954 517 1HG1 VAL 72 1HG1 VAL 72 -6.393 0.297 0.297 518 2HG1 VAL 72 3HG1 VAL 72 -7.781 1.252 1.252 519 3HG1 VAL 72 2HG1 VAL 72 -6.825 1.768 1.768 520 1HG2 VAL 72 1HG2 VAL 72 -6.021 2.992 2.992 521 2HG2 VAL 72 3HG2 VAL 72 -7.355 3.406 3.406 522 3HG2 VAL 72 2HG2 VAL 72 -7.274 1.801 1.801 523 H ALA 73 H ALA 73 -2.647 2.312 2.312 524 HA ALA 73 HA ALA 73 -2.540 0.577 0.577 525 1HB ALA 73 3HB ALA 73 -1.859 3.237 3.237 526 2HB ALA 73 2HB ALA 73 -0.365 2.435 2.435 527 3HB ALA 73 1HB ALA 73 -1.741 2.501 2.501 528 H MET 74 H MET 74 -1.397 0.335 0.335 529 HA MET 74 HA MET 74 1.259 -0.784 -0.784 530 1HB MET 74 2HB MET 74 -0.336 -0.269 -0.269 531 2HB MET 74 1HB MET 74 1.162 -1.197 -1.197 532 1HG MET 74 2HG MET 74 1.161 1.444 1.444 533 2HG MET 74 1HG MET 74 1.202 1.428 1.428 534 1HE MET 74 3HE MET 74 2.441 0.693 0.693 535 2HE MET 74 2HE MET 74 3.955 1.553 1.553 536 3HE MET 74 1HE MET 74 3.964 -0.201 -0.201 537 H PHE 75 H PHE 75 -1.836 -1.911 -1.911 538 HA PHE 75 HA PHE 75 -0.987 -4.705 -4.705 539 1HB PHE 75 2HB PHE 75 -3.054 -5.062 -5.062 540 2HB PHE 75 1HB PHE 75 -2.786 -3.367 -3.367 541 HD1 PHE 75 HD1 PHE 75 -4.498 -5.661 -5.661 542 HD2 PHE 75 HD2 PHE 75 -4.205 -1.656 -1.656 543 HE1 PHE 75 HE1 PHE 75 -6.576 -5.057 -5.057 544 HE2 PHE 75 HE2 PHE 75 -6.283 -1.050 -1.050 545 HZ PHE 75 HZ PHE 75 -7.470 -2.753 -2.753 546 H LEU 76 H LEU 76 -2.631 -2.447 -2.447 547 HA LEU 76 HA LEU 76 -3.738 -4.266 -4.266 548 1HB LEU 76 2HB LEU 76 -3.043 -1.400 -1.400 549 2HB LEU 76 1HB LEU 76 -3.108 -1.987 -1.987 550 HG LEU 76 HG LEU 76 -5.318 -2.483 -2.483 551 1HD1 LEU 76 3HD1 LEU 76 -4.625 0.000 0.000 552 2HD1 LEU 76 2HD1 LEU 76 -5.801 -0.550 -0.550 553 3HD1 LEU 76 1HD1 LEU 76 -6.249 -0.463 -0.463 554 1HD2 LEU 76 2HD2 LEU 76 -4.909 -2.918 -2.918 555 2HD2 LEU 76 1HD2 LEU 76 -5.563 -4.026 -4.026 556 3HD2 LEU 76 3HD2 LEU 76 -6.538 -2.674 -2.674 557 H VAL 77 H VAL 77 -0.558 -2.909 -2.909 558 HA VAL 77 HA VAL 77 0.535 -4.007 -4.007 559 HB VAL 77 HB VAL 77 1.645 -2.402 -2.402 560 1HG1 VAL 77 2HG1 VAL 77 2.959 -3.311 -3.311 561 2HG1 VAL 77 1HG1 VAL 77 3.615 -2.049 -2.049 562 3HG1 VAL 77 3HG1 VAL 77 3.468 -3.703 -3.703 563 1HG2 VAL 77 1HG2 VAL 77 0.024 -1.264 -1.264 564 2HG2 VAL 77 3HG2 VAL 77 1.639 -0.570 -0.570 565 3HG2 VAL 77 2HG2 VAL 77 1.050 -1.657 -1.657 566 H TYR 78 H TYR 78 0.323 -4.798 -4.798 567 HA TYR 78 HA TYR 78 2.458 -6.843 -6.843 568 1HB TYR 78 2HB TYR 78 0.912 -5.403 -5.403 569 2HB TYR 78 1HB TYR 78 1.125 -7.114 -7.114 570 HD1 TYR 78 HD2 TYR 78 3.654 -7.933 -7.933 571 HD2 TYR 78 HD1 TYR 78 2.518 -4.049 -4.049 572 HE1 TYR 78 HE2 TYR 78 6.008 -7.484 -7.484 573 HE2 TYR 78 HE1 TYR 78 4.864 -3.600 -3.600 574 HH TYR 78 HH TYR 78 7.455 -5.435 -5.435 575 H CYS 79 H CYS 79 -1.027 -6.555 -6.555 576 HA CYS 79 HA CYS 79 -1.491 -9.445 -9.445 577 1HB CYS 79 2HB CYS 79 -3.149 -6.988 -6.988 578 2HB CYS 79 1HB CYS 79 -3.848 -8.604 -8.604 579 HG CYS 79 HG CYS 79 -3.684 -8.809 -8.809 580 H ALA 80 H ALA 80 -0.569 -7.299 -7.299 581 HA ALA 80 HA ALA 80 -1.766 -8.894 -8.894 582 1HB ALA 80 1HB ALA 80 -0.099 -6.392 -6.392 583 2HB ALA 80 3HB ALA 80 -0.341 -7.139 -7.139 584 3HB ALA 80 2HB ALA 80 -1.727 -6.555 -6.555 585 H LEU 81 H LEU 81 0.960 -8.982 -8.982 586 HA LEU 81 HA LEU 81 2.795 -10.140 -10.140 587 1HB LEU 81 2HB LEU 81 3.211 -10.012 -10.012 588 2HB LEU 81 1HB LEU 81 4.410 -9.857 -9.857 589 HG LEU 81 HG LEU 81 2.452 -7.826 -7.826 590 1HD1 LEU 81 3HD1 LEU 81 5.277 -8.251 -8.251 591 2HD1 LEU 81 2HD1 LEU 81 4.958 -6.784 -6.784 592 3HD1 LEU 81 1HD1 LEU 81 4.361 -6.932 -6.932 593 1HD2 LEU 81 1HD2 LEU 81 3.355 -8.207 -8.207 594 2HD2 LEU 81 3HD2 LEU 81 1.899 -7.425 -7.425 595 3HD2 LEU 81 2HD2 LEU 81 3.438 -6.562 -6.562 596 H GLU 82 H GLU 82 1.107 -11.083 -11.083 597 HA GLU 82 HA GLU 82 1.965 -13.831 -13.831 598 1HB GLU 82 2HB GLU 82 -0.165 -12.211 -12.211 599 2HB GLU 82 1HB GLU 82 -0.138 -13.964 -13.964 600 1HG GLU 82 2HG GLU 82 2.309 -12.255 -12.255 601 2HG GLU 82 1HG GLU 82 1.154 -12.631 -12.631 602 H LYS 83 H LYS 83 -1.154 -12.289 -12.289 603 HA LYS 83 HA LYS 83 -1.589 -13.847 -13.847 604 1HB LYS 83 2HB LYS 83 -1.606 -15.616 -15.616 605 2HB LYS 83 1HB LYS 83 -3.055 -14.847 -14.847 606 1HG LYS 83 2HG LYS 83 -4.194 -15.190 -15.190 607 2HG LYS 83 1HG LYS 83 -2.746 -15.971 -15.971 608 1HD LYS 83 2HD LYS 83 -3.574 -17.913 -17.913 609 2HD LYS 83 1HD LYS 83 -3.235 -17.295 -17.295 610 1HE LYS 83 2HE LYS 83 -5.581 -16.037 -16.037 611 2HE LYS 83 1HE LYS 83 -5.836 -17.481 -17.481 612 1HZ LYS 83 3HZ LYS 83 -4.591 -17.842 -17.842 613 2HZ LYS 83 2HZ LYS 83 -6.257 -17.516 -17.516 614 3HZ LYS 83 1HZ LYS 83 -5.641 -18.871 -18.871 615 H GLU 84 H GLU 84 -2.993 -12.060 -12.060 616 HA GLU 84 HA GLU 84 -5.621 -11.673 -11.673 617 1HB GLU 84 2HB GLU 84 -3.872 -10.621 -10.621 618 2HB GLU 84 1HB GLU 84 -4.986 -9.405 -9.405 619 1HG GLU 84 2HG GLU 84 -6.611 -11.617 -11.617 620 2HG GLU 84 1HG GLU 84 -5.548 -11.796 -11.796 621 HA PRO 85 HA PRO 85 -4.290 -8.965 -8.965 622 1HB PRO 85 2HB PRO 85 -6.682 -9.029 -9.029 623 2HB PRO 85 1HB PRO 85 -5.481 -10.328 -10.328 624 1HG PRO 85 2HG PRO 85 -7.982 -10.213 -10.213 625 2HG PRO 85 1HG PRO 85 -7.243 -11.582 -11.582 626 1HD PRO 85 2HD PRO 85 -7.084 -11.172 -11.172 627 2HD PRO 85 1HD PRO 85 -5.905 -12.111 -12.111 628 H VAL 86 H VAL 86 -5.679 -6.970 -6.970 629 HA VAL 86 HA VAL 86 -6.843 -5.513 -5.513 630 HB VAL 86 HB VAL 86 -5.475 -4.516 -4.516 631 1HG1 VAL 86 2HG1 VAL 86 -7.188 -2.981 -2.981 632 2HG1 VAL 86 1HG1 VAL 86 -6.227 -2.998 -2.998 633 3HG1 VAL 86 3HG1 VAL 86 -5.550 -2.328 -2.328 634 1HG2 VAL 86 2HG2 VAL 86 -4.411 -5.604 -5.604 635 2HG2 VAL 86 1HG2 VAL 86 -3.530 -4.832 -4.832 636 3HG2 VAL 86 3HG2 VAL 86 -4.116 -3.866 -3.866 637 HA PRO 87 HA PRO 87 -10.501 -5.352 -5.352 638 1HB PRO 87 2HB PRO 87 -11.872 -3.470 -3.470 639 2HB PRO 87 1HB PRO 87 -11.620 -5.129 -5.129 640 1HG PRO 87 2HG PRO 87 -10.365 -2.629 -2.629 641 2HG PRO 87 1HG PRO 87 -10.564 -4.162 -4.162 642 1HD PRO 87 2HD PRO 87 -8.225 -3.176 -3.176 643 2HD PRO 87 1HD PRO 87 -8.455 -4.766 -4.766 644 H MET 88 H MET 88 -12.083 -3.120 -3.120 645 HA MET 88 HA MET 88 -10.197 -1.302 -1.302 646 1HB MET 88 2HB MET 88 -11.524 -2.992 -2.992 647 2HB MET 88 1HB MET 88 -12.988 -2.169 -2.169 648 1HG MET 88 2HG MET 88 -12.469 -0.200 -0.200 649 2HG MET 88 1HG MET 88 -10.764 -0.628 -0.628 650 1HE MET 88 2HE MET 88 -10.423 -0.183 -0.183 651 2HE MET 88 1HE MET 88 -9.774 -1.821 -1.821 652 3HE MET 88 3HE MET 88 -10.759 -1.283 -1.283 653 H SER 89 H SER 89 -12.101 -1.236 -1.236 654 HA SER 89 HA SER 89 -12.549 1.634 1.634 655 1HB SER 89 2HB SER 89 -14.561 -0.308 -0.308 656 2HB SER 89 1HB SER 89 -15.139 0.755 0.755 657 HG SER 89 HG SER 89 -15.456 1.547 1.547 658 H LEU 90 H LEU 90 -11.464 -0.496 -0.496 659 HA LEU 90 HA LEU 90 -11.163 -0.730 -0.730 660 1HB LEU 90 2HB LEU 90 -12.082 1.933 1.933 661 2HB LEU 90 1HB LEU 90 -12.741 1.429 1.429 662 HG LEU 90 HG LEU 90 -9.819 1.304 1.304 663 1HD1 LEU 90 2HD1 LEU 90 -11.496 3.367 3.367 664 2HD1 LEU 90 1HD1 LEU 90 -10.071 2.953 2.953 665 3HD1 LEU 90 3HD1 LEU 90 -9.887 3.504 3.504 666 1HD2 LEU 90 3HD2 LEU 90 -11.408 0.274 0.274 667 2HD2 LEU 90 2HD2 LEU 90 -9.924 -0.358 -0.358 668 3HD2 LEU 90 1HD2 LEU 90 -9.858 1.021 1.021 669 HA PRO 91 HA PRO 91 -14.967 -2.929 -2.929 670 1HB PRO 91 2HB PRO 91 -14.021 -4.237 -4.237 671 2HB PRO 91 1HB PRO 91 -13.664 -4.754 -4.754 672 1HG PRO 91 2HG PRO 91 -11.988 -3.174 -3.174 673 2HG PRO 91 1HG PRO 91 -11.513 -4.464 -4.464 674 1HD PRO 91 2HD PRO 91 -11.103 -1.844 -1.844 675 2HD PRO 91 1HD PRO 91 -11.419 -3.044 -3.044 676 HA PRO 92 HA PRO 92 -16.815 -0.603 -0.603 677 1HB PRO 92 2HB PRO 92 -18.347 -2.412 -2.412 678 2HB PRO 92 1HB PRO 92 -18.729 -1.860 -1.860 679 1HG PRO 92 2HG PRO 92 -17.485 -4.400 -4.400 680 2HG PRO 92 1HG PRO 92 -18.600 -4.099 -4.099 681 1HD PRO 92 2HD PRO 92 -15.882 -4.450 -4.450 682 2HD PRO 92 1HD PRO 92 -16.914 -3.608 -3.608 683 H ALA 93 H ALA 93 -14.943 -3.365 -3.365 684 HA ALA 93 HA ALA 93 -14.982 -2.460 -2.460 685 1HB ALA 93 2HB ALA 93 -14.620 -4.873 -4.873 686 2HB ALA 93 1HB ALA 93 -13.053 -4.519 -4.519 687 3HB ALA 93 3HB ALA 93 -14.497 -4.644 -4.644 688 H LEU 94 H LEU 94 -13.457 -1.280 -1.280 689 HA LEU 94 HA LEU 94 -10.828 -0.960 -0.960 690 1HB LEU 94 2HB LEU 94 -11.750 -1.142 -1.142 691 2HB LEU 94 1HB LEU 94 -10.252 -0.282 -0.282 692 HG LEU 94 HG LEU 94 -9.966 -2.745 -2.745 693 1HD1 LEU 94 1HD1 LEU 94 -9.132 -1.632 -1.632 694 2HD1 LEU 94 3HD1 LEU 94 -8.451 -3.095 -3.095 695 3HD1 LEU 94 2HD1 LEU 94 -8.236 -1.539 -1.539 696 1HD2 LEU 94 1HD2 LEU 94 -12.114 -3.280 -3.280 697 2HD2 LEU 94 3HD2 LEU 94 -10.739 -4.368 -4.368 698 3HD2 LEU 94 2HD2 LEU 94 -11.083 -3.150 -3.150 699 H VAL 95 H VAL 95 -13.209 0.770 0.770 700 HA VAL 95 HA VAL 95 -12.076 3.341 3.341 701 HB VAL 95 HB VAL 95 -14.976 2.888 2.888 702 1HG1 VAL 95 3HG1 VAL 95 -13.419 4.824 4.824 703 2HG1 VAL 95 2HG1 VAL 95 -15.177 4.693 4.693 704 3HG1 VAL 95 1HG1 VAL 95 -14.380 5.190 5.190 705 1HG2 VAL 95 1HG2 VAL 95 -13.467 1.709 1.709 706 2HG2 VAL 95 3HG2 VAL 95 -15.147 1.442 1.442 707 3HG2 VAL 95 2HG2 VAL 95 -14.728 2.786 2.786 708 HA PRO 96 HA PRO 96 -11.673 4.173 4.173 709 1HB PRO 96 2HB PRO 96 -10.786 6.750 6.750 710 2HB PRO 96 1HB PRO 96 -9.746 5.340 5.340 711 1HG PRO 96 2HG PRO 96 -11.148 7.086 7.086 712 2HG PRO 96 1HG PRO 96 -9.539 6.354 6.354 713 1HD PRO 96 2HD PRO 96 -11.718 5.369 5.369 714 2HD PRO 96 1HD PRO 96 -10.344 4.364 4.364 715 HA PRO 97 HA PRO 97 -15.243 6.518 6.518 716 1HB PRO 97 2HB PRO 97 -14.411 8.149 8.149 717 2HB PRO 97 1HB PRO 97 -14.621 6.397 6.397 718 1HG PRO 97 2HG PRO 97 -12.127 7.967 7.967 719 2HG PRO 97 1HG PRO 97 -12.410 6.574 6.574 720 1HD PRO 97 2HD PRO 97 -11.168 6.380 6.380 721 2HD PRO 97 1HD PRO 97 -12.123 5.059 5.059 722 H SER 98 H SER 98 -16.207 8.713 8.713 723 HA SER 98 HA SER 98 -16.367 10.953 10.953 724 1HB SER 98 2HB SER 98 -13.831 10.765 10.765 725 2HB SER 98 1HB SER 98 -13.501 11.070 11.070 726 HG SER 98 HG SER 98 -13.916 13.069 13.069 727 H LYS 99 H LYS 99 -14.182 8.927 8.927 728 HA LYS 99 HA LYS 99 -15.204 10.160 10.160 729 1HB LYS 99 2HB LYS 99 -12.795 9.216 9.216 730 2HB LYS 99 1HB LYS 99 -13.477 7.714 7.714 731 1HG LYS 99 2HG LYS 99 -14.000 10.030 10.030 732 2HG LYS 99 1HG LYS 99 -12.282 9.674 9.674 733 1HD LYS 99 2HD LYS 99 -12.615 8.120 8.120 734 2HD LYS 99 1HD LYS 99 -13.356 7.160 7.160 735 1HE LYS 99 2HE LYS 99 -15.235 7.188 7.188 736 2HE LYS 99 1HE LYS 99 -15.403 8.887 8.887 737 1HZ LYS 99 3HZ LYS 99 -13.765 7.923 7.923 738 2HZ LYS 99 2HZ LYS 99 -15.301 8.635 8.635 739 3HZ LYS 99 1HZ LYS 99 -13.994 9.540 9.540 740 H ARG 100 H ARG 100 -16.487 8.064 8.064 741 HA ARG 100 HA ARG 100 -17.487 6.101 6.101 742 1HB ARG 100 2HB ARG 100 -16.900 6.168 6.168 743 2HB ARG 100 1HB ARG 100 -18.501 5.502 5.502 744 1HG ARG 100 2HG ARG 100 -17.664 3.733 3.733 745 2HG ARG 100 1HG ARG 100 -16.180 4.595 4.595 746 1HD ARG 100 2HD ARG 100 -15.972 2.685 2.685 747 2HD ARG 100 1HD ARG 100 -15.269 4.245 4.245 748 HE ARG 100 HE ARG 100 -16.861 4.239 4.239 749 1HH1 ARG 100 1HH2 ARG 100 -17.874 2.123 2.123 750 2HH1 ARG 100 2HH2 ARG 100 -19.530 2.082 2.082 751 1HH2 ARG 100 2HH1 ARG 100 -19.103 4.455 4.455 752 2HH2 ARG 100 1HH1 ARG 100 -20.228 3.406 3.406 Start of MODEL 6 1 HA PRO 6 HA PRO 6 -14.143 -1.655 -1.655 2 1HB PRO 6 2HB PRO 6 -11.921 -3.245 -3.245 3 2HB PRO 6 1HB PRO 6 -13.204 -3.324 -3.324 4 1HG PRO 6 2HG PRO 6 -12.649 -5.137 -5.137 5 2HG PRO 6 1HG PRO 6 -13.289 -5.502 -5.502 6 1HD PRO 6 2HD PRO 6 -14.808 -5.315 -5.315 7 2HD PRO 6 1HD PRO 6 -15.439 -5.153 -5.153 8 H TRP 7 H TRP 7 -11.585 -1.289 -1.289 9 HA TRP 7 HA TRP 7 -11.792 -0.502 -0.502 10 1HB TRP 7 2HB TRP 7 -10.696 0.851 0.851 11 2HB TRP 7 1HB TRP 7 -9.512 -0.431 -0.431 12 HD1 TRP 7 HD1 TRP 7 -10.508 0.026 0.026 13 HE1 TRP 7 HE1 TRP 7 -8.620 1.203 1.203 14 HE3 TRP 7 HE3 TRP 7 -7.541 1.495 1.495 15 HZ2 TRP 7 HZ2 TRP 7 -6.171 2.588 2.588 16 HZ3 TRP 7 HZ3 TRP 7 -5.441 2.739 2.739 17 HH2 TRP 7 HH2 TRP 7 -4.752 3.287 3.287 18 H ALA 8 H ALA 8 -11.157 -1.759 -1.759 19 HA ALA 8 HA ALA 8 -10.414 -4.409 -4.409 20 1HB ALA 8 1HB ALA 8 -9.547 -2.128 -2.128 21 2HB ALA 8 3HB ALA 8 -9.269 -3.823 -3.823 22 3HB ALA 8 2HB ALA 8 -10.916 -3.214 -3.214 23 H VAL 9 H VAL 9 -8.342 -1.658 -1.658 24 HA VAL 9 HA VAL 9 -5.923 -3.380 -3.380 25 HB VAL 9 HB VAL 9 -6.492 -0.420 -0.420 26 1HG1 VAL 9 2HG1 VAL 9 -3.949 -1.982 -1.982 27 2HG1 VAL 9 1HG1 VAL 9 -3.910 -0.290 -0.290 28 3HG1 VAL 9 3HG1 VAL 9 -4.676 -0.749 -0.749 29 1HG2 VAL 9 3HG2 VAL 9 -5.173 -2.194 -2.194 30 2HG2 VAL 9 2HG2 VAL 9 -6.528 -1.087 -1.087 31 3HG2 VAL 9 1HG2 VAL 9 -4.902 -0.452 -0.452 32 H LYS 10 H LYS 10 -4.643 -3.492 -3.492 33 HA LYS 10 HA LYS 10 -6.299 -3.198 -3.198 34 1HB LYS 10 2HB LYS 10 -4.257 -5.128 -5.128 35 2HB LYS 10 1HB LYS 10 -4.393 -4.928 -4.928 36 1HG LYS 10 2HG LYS 10 -6.878 -5.338 -5.338 37 2HG LYS 10 1HG LYS 10 -5.874 -6.728 -6.728 38 1HD LYS 10 2HD LYS 10 -6.164 -6.370 -6.370 39 2HD LYS 10 1HD LYS 10 -6.803 -4.745 -4.745 40 1HE LYS 10 2HE LYS 10 -8.759 -5.798 -5.798 41 2HE LYS 10 1HE LYS 10 -8.161 -7.374 -7.374 42 1HZ LYS 10 1HZ LYS 10 -8.264 -5.287 -5.287 43 2HZ LYS 10 3HZ LYS 10 -9.776 -5.813 -5.813 44 3HZ LYS 10 2HZ LYS 10 -8.686 -6.929 -6.929 45 HA PRO 11 HA PRO 11 -3.398 -0.431 -0.431 46 1HB PRO 11 2HB PRO 11 -2.822 -1.531 -1.531 47 2HB PRO 11 1HB PRO 11 -4.367 -0.737 -0.737 48 1HG PRO 11 2HG PRO 11 -3.693 -3.645 -3.645 49 2HG PRO 11 1HG PRO 11 -5.133 -2.818 -2.818 50 1HD PRO 11 2HD PRO 11 -5.146 -4.119 -4.119 51 2HD PRO 11 1HD PRO 11 -6.096 -2.639 -2.639 52 H GLU 12 H GLU 12 -2.425 -3.847 -3.847 53 HA GLU 12 HA GLU 12 0.401 -3.281 -3.281 54 1HB GLU 12 2HB GLU 12 -0.090 -5.408 -5.408 55 2HB GLU 12 1HB GLU 12 -1.440 -5.576 -5.576 56 1HG GLU 12 2HG GLU 12 -0.097 -6.352 -6.352 57 2HG GLU 12 1HG GLU 12 1.343 -5.540 -5.540 58 H ASP 13 H ASP 13 -1.803 -3.532 -3.532 59 HA ASP 13 HA ASP 13 0.356 -3.753 -3.753 60 1HB ASP 13 2HB ASP 13 -2.634 -3.245 -3.245 61 2HB ASP 13 1HB ASP 13 -1.566 -3.666 -3.666 62 H LYS 14 H LYS 14 -1.832 -1.321 -1.321 63 HA LYS 14 HA LYS 14 -1.048 0.795 0.795 64 1HB LYS 14 2HB LYS 14 -3.176 0.862 0.862 65 2HB LYS 14 1HB LYS 14 -2.388 0.695 0.695 66 1HG LYS 14 2HG LYS 14 -2.980 3.029 3.029 67 2HG LYS 14 1HG LYS 14 -1.225 2.876 2.876 68 1HD LYS 14 2HD LYS 14 -1.789 2.517 2.517 69 2HD LYS 14 1HD LYS 14 -3.195 3.487 3.487 70 1HE LYS 14 2HE LYS 14 -1.861 5.312 5.312 71 2HE LYS 14 1HE LYS 14 -1.014 4.765 4.765 72 1HZ LYS 14 3HZ LYS 14 -0.401 3.446 3.446 73 2HZ LYS 14 2HZ LYS 14 0.252 4.991 4.991 74 3HZ LYS 14 1HZ LYS 14 0.601 3.718 3.718 75 H ALA 15 H ALA 15 0.316 -0.682 -0.682 76 HA ALA 15 HA ALA 15 1.919 1.571 1.571 77 1HB ALA 15 2HB ALA 15 2.127 -1.437 -1.437 78 2HB ALA 15 1HB ALA 15 2.994 -0.231 -0.231 79 3HB ALA 15 3HB ALA 15 1.235 -0.324 -0.324 80 H LYS 16 H LYS 16 2.442 -1.294 -1.294 81 HA LYS 16 HA LYS 16 5.220 -0.611 -0.611 82 1HB LYS 16 2HB LYS 16 5.188 -2.664 -2.664 83 2HB LYS 16 1HB LYS 16 3.847 -2.883 -2.883 84 1HG LYS 16 2HG LYS 16 2.335 -1.990 -1.990 85 2HG LYS 16 1HG LYS 16 3.703 -2.126 -2.126 86 1HD LYS 16 2HD LYS 16 3.077 -4.515 -4.515 87 2HD LYS 16 1HD LYS 16 1.946 -4.133 -4.133 88 1HE LYS 16 2HE LYS 16 3.530 -5.512 -5.512 89 2HE LYS 16 1HE LYS 16 4.128 -3.883 -3.883 90 1HZ LYS 16 2HZ LYS 16 4.927 -5.208 -5.208 91 2HZ LYS 16 1HZ LYS 16 5.736 -5.591 -5.591 92 3HZ LYS 16 3HZ LYS 16 5.734 -3.994 -3.994 93 H TYR 17 H TYR 17 2.071 0.127 0.127 94 HA TYR 17 HA TYR 17 2.958 1.052 1.052 95 1HB TYR 17 2HB TYR 17 0.474 1.579 1.579 96 2HB TYR 17 1HB TYR 17 0.643 2.018 2.018 97 HD1 TYR 17 HD1 TYR 17 2.466 -0.921 -0.921 98 HD2 TYR 17 HD2 TYR 17 -1.589 0.475 0.475 99 HE1 TYR 17 HE1 TYR 17 1.711 -3.188 -3.188 100 HE2 TYR 17 HE2 TYR 17 -2.353 -1.789 -1.789 101 HH TYR 17 HH TYR 17 -1.347 -4.243 -4.243 102 H ASP 18 H ASP 18 2.360 2.446 2.446 103 HA ASP 18 HA ASP 18 2.678 5.223 5.223 104 1HB ASP 18 2HB ASP 18 2.103 3.603 3.603 105 2HB ASP 18 1HB ASP 18 3.378 4.741 4.741 106 H ALA 19 H ALA 19 4.894 2.661 2.661 107 HA ALA 19 HA ALA 19 7.185 4.429 4.429 108 1HB ALA 19 3HB ALA 19 6.626 1.937 1.937 109 2HB ALA 19 2HB ALA 19 7.393 1.537 1.537 110 3HB ALA 19 1HB ALA 19 8.293 2.422 2.422 111 H ILE 20 H ILE 20 5.849 2.449 2.449 112 HA ILE 20 HA ILE 20 7.930 2.970 2.970 113 HB ILE 20 HB ILE 20 5.090 1.929 1.929 114 1HG1 ILE 20 2HG1 ILE 20 7.562 0.471 0.471 115 2HG1 ILE 20 1HG1 ILE 20 7.206 0.642 0.642 116 1HG2 ILE 20 3HG2 ILE 20 5.898 3.177 3.177 117 2HG2 ILE 20 2HG2 ILE 20 6.730 1.649 1.649 118 3HG2 ILE 20 1HG2 ILE 20 4.978 1.679 1.679 119 1HD1 ILE 20 3HD1 ILE 20 5.111 -0.365 -0.365 120 2HD1 ILE 20 2HD1 ILE 20 6.298 -1.462 -1.462 121 3HD1 ILE 20 1HD1 ILE 20 5.190 -0.572 -0.572 122 H PHE 21 H PHE 21 4.965 4.447 4.447 123 HA PHE 21 HA PHE 21 4.584 6.292 6.292 124 1HB PHE 21 2HB PHE 21 2.681 6.030 6.030 125 2HB PHE 21 1HB PHE 21 3.595 5.772 5.772 126 HD1 PHE 21 HD2 PHE 21 4.744 7.807 7.807 127 HD2 PHE 21 HD1 PHE 21 1.716 8.123 8.123 128 HE1 PHE 21 HE2 PHE 21 4.320 10.156 10.156 129 HE2 PHE 21 HE1 PHE 21 1.284 10.468 10.468 130 HZ PHE 21 HZ PHE 21 2.593 11.487 11.487 131 H ASP 22 H ASP 22 6.246 6.412 6.412 132 HA ASP 22 HA ASP 22 7.180 9.174 9.174 133 1HB ASP 22 2HB ASP 22 6.648 8.635 8.635 134 2HB ASP 22 1HB ASP 22 7.432 7.056 7.056 135 H SER 23 H SER 23 8.060 6.238 6.238 136 HA SER 23 HA SER 23 11.000 6.656 6.656 137 1HB SER 23 2HB SER 23 9.147 4.528 4.528 138 2HB SER 23 1HB SER 23 10.892 4.475 4.475 139 HG SER 23 HG SER 23 11.183 4.152 4.152 140 H LEU 24 H LEU 24 8.467 7.829 7.829 141 HA LEU 24 HA LEU 24 10.040 8.065 8.065 142 1HB LEU 24 2HB LEU 24 7.162 8.711 8.711 143 2HB LEU 24 1HB LEU 24 8.072 7.690 7.690 144 HG LEU 24 HG LEU 24 7.167 6.891 6.891 145 1HD1 LEU 24 1HD1 LEU 24 5.615 7.134 7.134 146 2HD1 LEU 24 3HD1 LEU 24 6.115 5.443 5.443 147 3HD1 LEU 24 2HD1 LEU 24 5.263 6.061 6.061 148 1HD2 LEU 24 1HD2 LEU 24 9.025 5.754 5.754 149 2HD2 LEU 24 3HD2 LEU 24 8.800 5.340 5.340 150 3HD2 LEU 24 2HD2 LEU 24 7.758 4.622 4.622 151 H SER 25 H SER 25 9.154 9.695 9.695 152 HA SER 25 HA SER 25 9.486 11.986 11.986 153 1HB SER 25 2HB SER 25 10.632 11.732 11.732 154 2HB SER 25 1HB SER 25 9.436 13.003 13.003 155 HG SER 25 HG SER 25 11.762 13.342 13.342 156 HA PRO 26 HA PRO 26 5.038 12.463 12.463 157 1HB PRO 26 2HB PRO 26 4.516 13.259 13.259 158 2HB PRO 26 1HB PRO 26 4.691 11.551 11.551 159 1HG PRO 26 2HG PRO 26 6.615 13.360 13.360 160 2HG PRO 26 1HG PRO 26 6.326 11.632 11.632 161 1HD PRO 26 2HD PRO 26 8.434 12.681 12.681 162 2HD PRO 26 1HD PRO 26 7.798 11.034 11.034 163 H VAL 27 H VAL 27 3.884 14.387 14.387 164 HA VAL 27 HA VAL 27 5.350 16.940 16.940 165 HB VAL 27 HB VAL 27 3.513 16.177 16.177 166 1HG1 VAL 27 1HG1 VAL 27 3.448 18.593 18.593 167 2HG1 VAL 27 3HG1 VAL 27 5.186 18.675 18.675 168 3HG1 VAL 27 2HG1 VAL 27 4.085 18.346 18.346 169 1HG2 VAL 27 1HG2 VAL 27 6.443 16.076 16.076 170 2HG2 VAL 27 3HG2 VAL 27 5.439 15.159 15.159 171 3HG2 VAL 27 2HG2 VAL 27 5.932 16.804 16.804 172 H ASN 28 H ASN 28 4.205 17.325 17.325 173 HA ASN 28 HA ASN 28 2.409 18.241 18.241 174 1HB ASN 28 2HB ASN 28 2.135 19.420 19.420 175 2HB ASN 28 1HB ASN 28 0.861 18.241 18.241 176 1HD2 ASN 28 1HD2 ASN 28 -0.848 18.102 18.102 177 2HD2 ASN 28 2HD2 ASN 28 -1.297 19.569 19.569 178 H GLY 29 H GLY 29 2.782 15.314 15.314 179 1HA GLY 29 2HA GLY 29 1.646 13.416 13.416 180 2HA GLY 29 1HA GLY 29 0.174 14.383 14.383 181 H PHE 30 H PHE 30 2.082 14.314 14.314 182 HA PHE 30 HA PHE 30 0.145 12.447 12.447 183 1HB PHE 30 2HB PHE 30 0.833 15.259 15.259 184 2HB PHE 30 1HB PHE 30 -0.213 14.130 14.130 185 HD1 PHE 30 HD2 PHE 30 -1.869 12.886 12.886 186 HD2 PHE 30 HD1 PHE 30 -0.391 16.907 16.907 187 HE1 PHE 30 HE2 PHE 30 -3.803 13.558 13.558 188 HE2 PHE 30 HE1 PHE 30 -2.309 17.580 17.580 189 HZ PHE 30 HZ PHE 30 -4.019 15.903 15.903 190 H LEU 31 H LEU 31 1.019 11.303 11.303 191 HA LEU 31 HA LEU 31 3.886 11.903 11.903 192 1HB LEU 31 2HB LEU 31 2.339 9.325 9.325 193 2HB LEU 31 1HB LEU 31 3.876 9.390 9.390 194 HG LEU 31 HG LEU 31 3.513 10.418 10.418 195 1HD1 LEU 31 3HD1 LEU 31 3.264 7.810 7.810 196 2HD1 LEU 31 2HD1 LEU 31 5.023 7.918 7.918 197 3HD1 LEU 31 1HD1 LEU 31 4.058 8.352 8.352 198 1HD2 LEU 31 3HD2 LEU 31 5.830 10.001 10.001 199 2HD2 LEU 31 2HD2 LEU 31 5.426 11.430 11.430 200 3HD2 LEU 31 1HD2 LEU 31 6.086 9.998 9.998 201 H SER 32 H SER 32 4.232 12.289 12.289 202 HA SER 32 HA SER 32 1.917 12.156 12.156 203 1HB SER 32 2HB SER 32 4.357 13.653 13.653 204 2HB SER 32 1HB SER 32 4.239 13.015 13.015 205 HG SER 32 HG SER 32 2.039 13.863 13.863 206 H GLY 33 H GLY 33 1.869 10.895 10.895 207 1HA GLY 33 2HA GLY 33 2.830 8.307 8.307 208 2HA GLY 33 1HA GLY 33 2.549 9.208 9.208 209 H ASP 34 H ASP 34 4.599 11.229 11.229 210 HA ASP 34 HA ASP 34 6.852 10.175 10.175 211 1HB ASP 34 2HB ASP 34 6.128 12.507 12.507 212 2HB ASP 34 1HB ASP 34 7.853 12.146 12.146 213 H LYS 35 H LYS 35 5.869 9.831 9.831 214 HA LYS 35 HA LYS 35 8.525 8.614 8.614 215 1HB LYS 35 2HB LYS 35 6.525 9.160 9.160 216 2HB LYS 35 1HB LYS 35 8.256 9.485 9.485 217 1HG LYS 35 2HG LYS 35 7.752 11.369 11.369 218 2HG LYS 35 1HG LYS 35 6.049 11.130 11.130 219 1HD LYS 35 2HD LYS 35 6.700 11.395 11.395 220 2HD LYS 35 1HD LYS 35 8.289 11.914 11.914 221 1HE LYS 35 2HE LYS 35 6.011 13.279 13.279 222 2HE LYS 35 1HE LYS 35 6.226 13.642 13.642 223 1HZ LYS 35 2HZ LYS 35 8.513 13.576 13.576 224 2HZ LYS 35 1HZ LYS 35 7.607 14.993 14.993 225 3HZ LYS 35 3HZ LYS 35 8.432 14.285 14.285 226 H VAL 36 H VAL 36 5.025 8.212 8.212 227 HA VAL 36 HA VAL 36 5.190 5.531 5.531 228 HB VAL 36 HB VAL 36 2.981 7.101 7.101 229 1HG1 VAL 36 2HG1 VAL 36 3.114 4.378 4.378 230 2HG1 VAL 36 1HG1 VAL 36 1.843 5.340 5.340 231 3HG1 VAL 36 3HG1 VAL 36 1.872 5.135 5.135 232 1HG2 VAL 36 2HG2 VAL 36 3.750 6.730 6.730 233 2HG2 VAL 36 1HG2 VAL 36 3.849 8.227 8.227 234 3HG2 VAL 36 3HG2 VAL 36 2.275 7.527 7.527 235 H LYS 37 H LYS 37 4.156 6.805 6.805 236 HA LYS 37 HA LYS 37 3.621 4.508 4.508 237 1HB LYS 37 2HB LYS 37 3.867 7.057 7.057 238 2HB LYS 37 1HB LYS 37 5.449 6.540 6.540 239 1HG LYS 37 2HG LYS 37 4.101 4.608 4.608 240 2HG LYS 37 1HG LYS 37 2.723 5.686 5.686 241 1HD LYS 37 2HD LYS 37 3.423 7.088 7.088 242 2HD LYS 37 1HD LYS 37 5.092 7.051 7.051 243 1HE LYS 37 2HE LYS 37 5.303 5.971 5.971 244 2HE LYS 37 1HE LYS 37 5.023 4.582 4.582 245 1HZ LYS 37 2HZ LYS 37 2.904 6.102 6.102 246 2HZ LYS 37 1HZ LYS 37 3.491 4.577 4.577 247 3HZ LYS 37 3HZ LYS 37 2.660 4.752 4.752 248 HA PRO 38 HA PRO 38 8.259 3.618 3.618 249 1HB PRO 38 2HB PRO 38 10.074 4.826 4.826 250 2HB PRO 38 1HB PRO 38 9.580 5.521 5.521 251 1HG PRO 38 2HG PRO 38 8.681 6.209 6.209 252 2HG PRO 38 1HG PRO 38 9.009 7.271 7.271 253 1HD PRO 38 2HD PRO 38 6.503 6.570 6.570 254 2HD PRO 38 1HD PRO 38 6.935 6.940 6.940 255 H VAL 39 H VAL 39 7.236 4.391 4.391 256 HA VAL 39 HA VAL 39 8.633 2.296 2.296 257 HB VAL 39 HB VAL 39 6.343 4.177 4.177 258 1HG1 VAL 39 3HG1 VAL 39 6.629 1.591 1.591 259 2HG1 VAL 39 2HG1 VAL 39 6.571 2.967 2.967 260 3HG1 VAL 39 1HG1 VAL 39 5.257 2.698 2.698 261 1HG2 VAL 39 1HG2 VAL 39 8.985 4.402 4.402 262 2HG2 VAL 39 3HG2 VAL 39 7.795 5.230 5.230 263 3HG2 VAL 39 2HG2 VAL 39 8.515 3.717 3.717 264 H LEU 40 H LEU 40 5.627 2.464 2.464 265 HA LEU 40 HA LEU 40 4.668 -0.155 -0.155 266 1HB LEU 40 2HB LEU 40 3.829 1.615 1.615 267 2HB LEU 40 1HB LEU 40 2.882 0.302 0.302 268 HG LEU 40 HG LEU 40 3.632 2.931 2.931 269 1HD1 LEU 40 1HD1 LEU 40 1.108 1.541 1.541 270 2HD1 LEU 40 3HD1 LEU 40 1.068 2.729 2.729 271 3HD1 LEU 40 2HD1 LEU 40 1.615 3.203 3.203 272 1HD2 LEU 40 3HD2 LEU 40 2.846 0.324 0.324 273 2HD2 LEU 40 2HD2 LEU 40 4.033 1.508 1.508 274 3HD2 LEU 40 1HD2 LEU 40 2.306 1.836 1.836 275 H LEU 41 H LEU 41 6.837 1.073 1.073 276 HA LEU 41 HA LEU 41 6.630 -1.096 -1.096 277 1HB LEU 41 2HB LEU 41 8.529 1.151 1.151 278 2HB LEU 41 1HB LEU 41 8.985 -0.074 -0.074 279 HG LEU 41 HG LEU 41 6.352 1.395 1.395 280 1HD1 LEU 41 1HD1 LEU 41 9.064 2.323 2.323 281 2HD1 LEU 41 3HD1 LEU 41 7.952 2.426 2.426 282 3HD1 LEU 41 2HD1 LEU 41 7.569 3.245 3.245 283 1HD2 LEU 41 2HD2 LEU 41 6.678 -0.773 -0.773 284 2HD2 LEU 41 1HD2 LEU 41 6.377 0.598 0.598 285 3HD2 LEU 41 3HD2 LEU 41 8.015 -0.025 -0.025 286 H ASN 42 H ASN 42 8.277 -0.492 -0.492 287 HA ASN 42 HA ASN 42 10.354 -2.437 -2.437 288 1HB ASN 42 2HB ASN 42 8.704 -1.343 -1.343 289 2HB ASN 42 1HB ASN 42 10.176 -2.292 -2.292 290 1HD2 ASN 42 1HD2 ASN 42 8.921 0.801 0.801 291 2HD2 ASN 42 2HD2 ASN 42 10.422 1.591 1.591 292 H SER 43 H SER 43 6.921 -2.720 -2.720 293 HA SER 43 HA SER 43 6.816 -5.326 -5.326 294 1HB SER 43 2HB SER 43 4.826 -4.173 -4.173 295 2HB SER 43 1HB SER 43 5.010 -3.435 -3.435 296 HG SER 43 HG SER 43 3.436 -5.333 -5.333 297 H LYS 44 H LYS 44 7.959 -4.379 -4.379 298 HA LYS 44 HA LYS 44 8.638 -5.682 -5.682 299 1HB LYS 44 2HB LYS 44 8.801 -7.362 -7.362 300 2HB LYS 44 1HB LYS 44 7.337 -8.058 -8.058 301 1HG LYS 44 2HG LYS 44 9.290 -9.211 -9.211 302 2HG LYS 44 1HG LYS 44 8.522 -8.268 -8.268 303 1HD LYS 44 2HD LYS 44 10.570 -6.812 -6.812 304 2HD LYS 44 1HD LYS 44 11.187 -8.150 -8.150 305 1HE LYS 44 2HE LYS 44 9.223 -6.540 -6.540 306 2HE LYS 44 1HE LYS 44 10.645 -5.601 -5.601 307 1HZ LYS 44 1HZ LYS 44 12.038 -7.447 -7.447 308 2HZ LYS 44 3HZ LYS 44 10.650 -8.207 -8.207 309 3HZ LYS 44 2HZ LYS 44 11.141 -6.706 -6.706 310 H LEU 45 H LEU 45 5.577 -4.945 -4.945 311 HA LEU 45 HA LEU 45 4.084 -6.547 -6.547 312 1HB LEU 45 2HB LEU 45 3.556 -4.399 -4.399 313 2HB LEU 45 1HB LEU 45 2.343 -4.697 -4.697 314 HG LEU 45 HG LEU 45 3.513 -6.847 -6.847 315 1HD1 LEU 45 1HD1 LEU 45 1.838 -4.871 -4.871 316 2HD1 LEU 45 3HD1 LEU 45 0.672 -6.056 -6.056 317 3HD1 LEU 45 2HD1 LEU 45 1.831 -6.507 -6.507 318 1HD2 LEU 45 1HD2 LEU 45 2.368 -7.179 -7.179 319 2HD2 LEU 45 3HD2 LEU 45 2.166 -8.339 -8.339 320 3HD2 LEU 45 2HD2 LEU 45 0.917 -7.133 -7.133 321 HA PRO 46 HA PRO 46 4.508 -3.779 -3.779 322 1HB PRO 46 2HB PRO 46 2.067 -4.028 -4.028 323 2HB PRO 46 1HB PRO 46 3.314 -5.290 -5.290 324 1HG PRO 46 2HG PRO 46 0.870 -5.124 -5.124 325 2HG PRO 46 1HG PRO 46 1.640 -6.533 -6.533 326 1HD PRO 46 2HD PRO 46 1.874 -5.873 -5.873 327 2HD PRO 46 1HD PRO 46 3.061 -6.843 -6.843 328 H VAL 47 H VAL 47 3.641 -1.725 -1.725 329 HA VAL 47 HA VAL 47 2.813 0.126 0.126 330 HB VAL 47 HB VAL 47 2.964 0.114 0.114 331 1HG1 VAL 47 3HG1 VAL 47 2.097 2.382 2.382 332 2HG1 VAL 47 2HG1 VAL 47 2.590 2.596 2.596 333 3HG1 VAL 47 1HG1 VAL 47 1.154 1.647 1.647 334 1HG2 VAL 47 3HG2 VAL 47 4.725 0.696 0.696 335 2HG2 VAL 47 2HG2 VAL 47 5.111 0.586 0.586 336 3HG2 VAL 47 1HG2 VAL 47 4.555 2.115 2.115 337 H ASP 48 H ASP 48 0.979 -2.183 -2.183 338 HA ASP 48 HA ASP 48 -1.514 -0.720 -0.720 339 1HB ASP 48 2HB ASP 48 -0.442 -3.429 -3.429 340 2HB ASP 48 1HB ASP 48 -2.120 -3.389 -3.389 341 H ILE 49 H ILE 49 0.008 -2.872 -2.872 342 HA ILE 49 HA ILE 49 -2.209 -2.981 -2.981 343 HB ILE 49 HB ILE 49 0.750 -3.160 -3.160 344 1HG1 ILE 49 2HG1 ILE 49 0.427 -4.578 -4.578 345 2HG1 ILE 49 1HG1 ILE 49 0.447 -5.627 -5.627 346 1HG2 ILE 49 3HG2 ILE 49 -1.719 -3.682 -3.682 347 2HG2 ILE 49 2HG2 ILE 49 -0.737 -5.143 -5.143 348 3HG2 ILE 49 1HG2 ILE 49 -0.063 -3.675 -3.675 349 1HD1 ILE 49 3HD1 ILE 49 -2.032 -5.598 -5.598 350 2HD1 ILE 49 2HD1 ILE 49 -2.028 -4.607 -4.607 351 3HD1 ILE 49 1HD1 ILE 49 -1.403 -6.256 -6.256 352 H LEU 50 H LEU 50 0.746 -1.056 -1.056 353 HA LEU 50 HA LEU 50 0.245 0.647 0.647 354 1HB LEU 50 2HB LEU 50 1.760 1.353 1.353 355 2HB LEU 50 1HB LEU 50 2.108 1.870 1.870 356 HG LEU 50 HG LEU 50 2.578 -0.819 -0.819 357 1HD1 LEU 50 2HD1 LEU 50 4.170 1.259 1.259 358 2HD1 LEU 50 1HD1 LEU 50 4.729 -0.414 -0.414 359 3HD1 LEU 50 3HD1 LEU 50 4.521 0.474 0.474 360 1HD2 LEU 50 1HD2 LEU 50 1.766 -0.252 -0.252 361 2HD2 LEU 50 3HD2 LEU 50 1.734 -1.773 -1.773 362 3HD2 LEU 50 2HD2 LEU 50 3.235 -1.216 -1.216 363 H GLY 51 H GLY 51 -1.054 0.534 0.534 364 1HA GLY 51 2HA GLY 51 -1.982 3.336 3.336 365 2HA GLY 51 1HA GLY 51 -2.288 2.178 2.178 366 H ARG 52 H ARG 52 -3.185 0.075 0.075 367 HA ARG 52 HA ARG 52 -5.954 1.016 1.016 368 1HB ARG 52 2HB ARG 52 -4.734 -1.294 -1.294 369 2HB ARG 52 1HB ARG 52 -5.230 -1.732 -1.732 370 1HG ARG 52 2HG ARG 52 -7.493 -0.564 -0.564 371 2HG ARG 52 1HG ARG 52 -6.919 -0.947 -0.947 372 1HD ARG 52 2HD ARG 52 -6.608 -3.182 -3.182 373 2HD ARG 52 1HD ARG 52 -8.298 -2.706 -2.706 374 HE ARG 52 HE ARG 52 -8.064 -3.248 -3.248 375 1HH1 ARG 52 1HH2 ARG 52 -6.076 -5.210 -5.210 376 2HH1 ARG 52 2HH2 ARG 52 -4.780 -5.209 -5.209 377 1HH2 ARG 52 2HH1 ARG 52 -5.972 -2.456 -2.456 378 2HH2 ARG 52 1HH1 ARG 52 -4.721 -3.649 -3.649 379 H VAL 53 H VAL 53 -3.500 -0.771 -0.771 380 HA VAL 53 HA VAL 53 -4.769 -0.733 -0.733 381 HB VAL 53 HB VAL 53 -1.878 -0.466 -0.466 382 1HG1 VAL 53 1HG1 VAL 53 -3.054 -0.062 -0.062 383 2HG1 VAL 53 3HG1 VAL 53 -1.900 -1.395 -1.395 384 3HG1 VAL 53 2HG1 VAL 53 -1.399 0.212 0.212 385 1HG2 VAL 53 1HG2 VAL 53 -3.435 -2.572 -2.572 386 2HG2 VAL 53 3HG2 VAL 53 -1.793 -2.781 -2.781 387 3HG2 VAL 53 2HG2 VAL 53 -3.156 -2.770 -2.770 388 H TRP 54 H TRP 54 -2.803 1.825 1.825 389 HA TRP 54 HA TRP 54 -2.853 3.696 3.696 390 1HB TRP 54 2HB TRP 54 -1.417 3.972 3.972 391 2HB TRP 54 1HB TRP 54 -2.811 4.025 4.025 392 HD1 TRP 54 HD1 TRP 54 -4.515 6.141 6.141 393 HE1 TRP 54 HE1 TRP 54 -4.002 8.561 8.561 394 HE3 TRP 54 HE3 TRP 54 0.103 5.487 5.487 395 HZ2 TRP 54 HZ2 TRP 54 -1.906 10.032 10.032 396 HZ3 TRP 54 HZ3 TRP 54 1.334 7.412 7.412 397 HH2 TRP 54 HH2 TRP 54 0.337 9.682 9.682 398 H GLU 55 H GLU 55 -4.956 3.659 3.659 399 HA GLU 55 HA GLU 55 -6.789 5.625 5.625 400 1HB GLU 55 2HB GLU 55 -7.085 2.913 2.913 401 2HB GLU 55 1HB GLU 55 -8.445 4.031 4.031 402 1HG GLU 55 2HG GLU 55 -6.098 5.433 5.433 403 2HG GLU 55 1HG GLU 55 -6.398 4.023 4.023 404 H LEU 56 H LEU 56 -6.975 2.210 2.210 405 HA LEU 56 HA LEU 56 -9.240 2.663 2.663 406 1HB LEU 56 2HB LEU 56 -7.228 0.393 0.393 407 2HB LEU 56 1HB LEU 56 -8.847 0.320 0.320 408 HG LEU 56 HG LEU 56 -8.790 1.288 1.288 409 1HD1 LEU 56 1HD1 LEU 56 -6.926 -0.426 -0.426 410 2HD1 LEU 56 3HD1 LEU 56 -8.128 -1.616 -1.616 411 3HD1 LEU 56 2HD1 LEU 56 -8.259 -0.833 -0.833 412 1HD2 LEU 56 1HD2 LEU 56 -10.565 0.059 0.059 413 2HD2 LEU 56 3HD2 LEU 56 -10.910 0.506 0.506 414 3HD2 LEU 56 2HD2 LEU 56 -10.321 -1.114 -1.114 415 H SER 57 H SER 57 -5.858 3.178 3.178 416 HA SER 57 HA SER 57 -5.754 2.998 2.998 417 1HB SER 57 2HB SER 57 -3.771 2.185 2.185 418 2HB SER 57 1HB SER 57 -3.877 3.169 3.169 419 HG SER 57 HG SER 57 -2.462 4.354 4.354 420 H ASP 58 H ASP 58 -5.931 5.366 5.366 421 HA ASP 58 HA ASP 58 -5.180 7.624 7.624 422 1HB ASP 58 2HB ASP 58 -5.033 7.060 7.060 423 2HB ASP 58 1HB ASP 58 -6.478 8.071 8.071 424 H ILE 59 H ILE 59 -6.995 7.114 7.114 425 HA ILE 59 HA ILE 59 -9.714 7.111 7.111 426 HB ILE 59 HB ILE 59 -8.122 8.646 8.646 427 1HG1 ILE 59 2HG1 ILE 59 -7.625 6.216 6.216 428 2HG1 ILE 59 1HG1 ILE 59 -8.457 6.630 6.630 429 1HG2 ILE 59 3HG2 ILE 59 -11.025 7.791 7.791 430 2HG2 ILE 59 2HG2 ILE 59 -10.205 8.353 8.353 431 3HG2 ILE 59 1HG2 ILE 59 -10.405 9.438 9.438 432 1HD1 ILE 59 3HD1 ILE 59 -10.451 6.088 6.088 433 2HD1 ILE 59 2HD1 ILE 59 -9.271 4.779 4.779 434 3HD1 ILE 59 1HD1 ILE 59 -10.079 5.163 5.163 435 H ASP 60 H ASP 60 -7.544 9.913 9.913 436 HA ASP 60 HA ASP 60 -9.841 11.711 11.711 437 1HB ASP 60 2HB ASP 60 -6.907 12.418 12.418 438 2HB ASP 60 1HB ASP 60 -8.291 13.449 13.449 439 H HIS 61 H HIS 61 -7.102 10.165 10.165 440 HA HIS 61 HA HIS 61 -6.556 10.022 10.022 441 1HB HIS 61 2HB HIS 61 -9.245 11.333 11.333 442 2HB HIS 61 1HB HIS 61 -8.423 10.158 10.158 443 HD1 HIS 61 HD1 HIS 61 -8.647 7.672 7.672 444 HD2 HIS 61 HD2 HIS 61 -10.485 10.207 10.207 445 HE1 HIS 61 HE1 HIS 61 -10.035 6.194 6.194 446 H ASP 62 H ASP 62 -5.808 12.382 12.382 447 HA ASP 62 HA ASP 62 -6.182 14.645 14.645 448 1HB ASP 62 2HB ASP 62 -5.511 15.976 15.976 449 2HB ASP 62 1HB ASP 62 -6.481 14.683 14.683 450 H GLY 63 H GLY 63 -3.881 12.210 12.210 451 1HA GLY 63 2HA GLY 63 -2.040 12.093 12.093 452 2HA GLY 63 1HA GLY 63 -1.731 13.781 13.781 453 H MET 64 H MET 64 -2.630 12.225 12.225 454 HA MET 64 HA MET 64 0.075 11.200 11.200 455 1HB MET 64 2HB MET 64 -0.994 13.077 13.077 456 2HB MET 64 1HB MET 64 0.663 12.844 12.844 457 1HG MET 64 2HG MET 64 -0.012 14.021 14.021 458 2HG MET 64 1HG MET 64 -1.515 14.449 14.449 459 1HE MET 64 1HE MET 64 2.021 13.945 13.945 460 2HE MET 64 3HE MET 64 2.628 15.585 15.585 461 3HE MET 64 2HE MET 64 2.490 14.947 14.947 462 H LEU 65 H LEU 65 0.107 10.077 10.077 463 HA LEU 65 HA LEU 65 -2.623 9.072 9.072 464 1HB LEU 65 2HB LEU 65 0.158 7.854 7.854 465 2HB LEU 65 1HB LEU 65 -1.234 7.080 7.080 466 HG LEU 65 HG LEU 65 -1.313 7.974 7.974 467 1HD1 LEU 65 1HD1 LEU 65 -0.061 5.530 5.530 468 2HD1 LEU 65 3HD1 LEU 65 -0.876 5.393 5.393 469 3HD1 LEU 65 2HD1 LEU 65 0.485 6.498 6.498 470 1HD2 LEU 65 3HD2 LEU 65 -2.793 5.868 5.868 471 2HD2 LEU 65 2HD2 LEU 65 -3.442 7.428 7.428 472 3HD2 LEU 65 1HD2 LEU 65 -3.050 6.203 6.203 473 H ASP 66 H ASP 66 -3.244 9.891 9.891 474 HA ASP 66 HA ASP 66 -1.431 11.213 11.213 475 1HB ASP 66 2HB ASP 66 -4.139 10.068 10.068 476 2HB ASP 66 1HB ASP 66 -3.403 11.565 11.565 477 H ARG 67 H ARG 67 -0.787 10.459 10.459 478 HA ARG 67 HA ARG 67 0.428 8.060 8.060 479 1HB ARG 67 2HB ARG 67 -0.137 8.334 8.334 480 2HB ARG 67 1HB ARG 67 0.376 9.838 9.838 481 1HG ARG 67 2HG ARG 67 -2.091 10.310 10.310 482 2HG ARG 67 1HG ARG 67 -2.443 8.963 8.963 483 1HD ARG 67 2HD ARG 67 -2.469 10.798 10.798 484 2HD ARG 67 1HD ARG 67 -0.794 10.230 10.230 485 HE ARG 67 HE ARG 67 -0.106 12.003 12.003 486 1HH1 ARG 67 1HH2 ARG 67 -3.221 12.000 12.000 487 2HH1 ARG 67 2HH2 ARG 67 -3.574 13.653 13.653 488 1HH2 ARG 67 2HH1 ARG 67 -0.625 14.160 14.160 489 2HH2 ARG 67 1HH1 ARG 67 -2.104 14.877 14.877 490 H ASP 68 H ASP 68 -3.053 8.540 8.540 491 HA ASP 68 HA ASP 68 -3.486 5.695 5.695 492 1HB ASP 68 2HB ASP 68 -4.968 8.254 8.254 493 2HB ASP 68 1HB ASP 68 -5.945 6.846 6.846 494 H GLU 69 H GLU 69 -3.897 7.900 7.900 495 HA GLU 69 HA GLU 69 -5.390 6.140 6.140 496 1HB GLU 69 2HB GLU 69 -4.552 8.754 8.754 497 2HB GLU 69 1HB GLU 69 -3.493 8.061 8.061 498 1HG GLU 69 2HG GLU 69 -5.418 7.166 7.166 499 2HG GLU 69 1HG GLU 69 -6.505 7.791 7.791 500 H PHE 70 H PHE 70 -1.914 6.977 6.977 501 HA PHE 70 HA PHE 70 -0.965 5.230 5.230 502 1HB PHE 70 2HB PHE 70 0.328 6.968 6.968 503 2HB PHE 70 1HB PHE 70 0.272 5.960 5.960 504 HD1 PHE 70 HD1 PHE 70 1.430 6.023 6.023 505 HD2 PHE 70 HD2 PHE 70 1.826 4.206 4.206 506 HE1 PHE 70 HE1 PHE 70 3.424 4.779 4.779 507 HE2 PHE 70 HE2 PHE 70 3.821 2.961 2.961 508 HZ PHE 70 HZ PHE 70 4.618 3.249 3.249 509 H ALA 71 H ALA 71 -2.145 4.605 4.605 510 HA ALA 71 HA ALA 71 -1.036 2.004 2.004 511 1HB ALA 71 1HB ALA 71 -2.312 3.611 3.611 512 2HB ALA 71 3HB ALA 71 -3.783 2.964 2.964 513 3HB ALA 71 2HB ALA 71 -2.695 1.897 1.897 514 H VAL 72 H VAL 72 -4.080 3.040 3.040 515 HA VAL 72 HA VAL 72 -5.153 0.465 0.465 516 HB VAL 72 HB VAL 72 -5.365 3.096 3.096 517 1HG1 VAL 72 3HG1 VAL 72 -6.262 0.775 0.775 518 2HG1 VAL 72 2HG1 VAL 72 -7.582 1.098 1.098 519 3HG1 VAL 72 1HG1 VAL 72 -7.210 2.257 2.257 520 1HG2 VAL 72 1HG2 VAL 72 -5.891 3.197 3.197 521 2HG2 VAL 72 3HG2 VAL 72 -7.290 3.534 3.534 522 3HG2 VAL 72 2HG2 VAL 72 -7.117 1.956 1.956 523 H ALA 73 H ALA 73 -2.621 2.318 2.318 524 HA ALA 73 HA ALA 73 -2.661 0.667 0.667 525 1HB ALA 73 3HB ALA 73 -1.693 3.198 3.198 526 2HB ALA 73 2HB ALA 73 -0.324 2.281 2.281 527 3HB ALA 73 1HB ALA 73 -1.746 2.572 2.572 528 H MET 74 H MET 74 -1.191 0.366 0.366 529 HA MET 74 HA MET 74 1.177 -1.047 -1.047 530 1HB MET 74 2HB MET 74 0.219 -1.015 -1.015 531 2HB MET 74 1HB MET 74 1.873 -1.101 -1.101 532 1HG MET 74 2HG MET 74 0.048 1.272 1.272 533 2HG MET 74 1HG MET 74 1.724 1.120 1.120 534 1HE MET 74 3HE MET 74 3.038 -0.229 -0.229 535 2HE MET 74 2HE MET 74 2.728 -0.099 -0.099 536 3HE MET 74 1HE MET 74 3.840 1.026 1.026 537 H PHE 75 H PHE 75 -1.900 -1.898 -1.898 538 HA PHE 75 HA PHE 75 -1.217 -4.744 -4.744 539 1HB PHE 75 2HB PHE 75 -3.256 -4.944 -4.944 540 2HB PHE 75 1HB PHE 75 -2.854 -3.264 -3.264 541 HD1 PHE 75 HD1 PHE 75 -4.970 -5.524 -5.524 542 HD2 PHE 75 HD2 PHE 75 -4.055 -1.436 -1.436 543 HE1 PHE 75 HE1 PHE 75 -7.058 -4.803 -4.803 544 HE2 PHE 75 HE2 PHE 75 -6.136 -0.712 -0.712 545 HZ PHE 75 HZ PHE 75 -7.644 -2.398 -2.398 546 H LEU 76 H LEU 76 -2.626 -2.484 -2.484 547 HA LEU 76 HA LEU 76 -3.952 -4.439 -4.439 548 1HB LEU 76 2HB LEU 76 -3.358 -1.543 -1.543 549 2HB LEU 76 1HB LEU 76 -3.483 -2.213 -2.213 550 HG LEU 76 HG LEU 76 -5.561 -2.521 -2.521 551 1HD1 LEU 76 3HD1 LEU 76 -5.229 -0.225 -0.225 552 2HD1 LEU 76 2HD1 LEU 76 -5.863 -1.017 -1.017 553 3HD1 LEU 76 1HD1 LEU 76 -6.855 -0.909 -0.909 554 1HD2 LEU 76 2HD2 LEU 76 -5.043 -4.042 -4.042 555 2HD2 LEU 76 1HD2 LEU 76 -6.423 -4.174 -4.174 556 3HD2 LEU 76 3HD2 LEU 76 -6.496 -3.088 -3.088 557 H VAL 77 H VAL 77 -0.749 -3.063 -3.063 558 HA VAL 77 HA VAL 77 0.176 -4.205 -4.205 559 HB VAL 77 HB VAL 77 1.380 -2.535 -2.535 560 1HG1 VAL 77 3HG1 VAL 77 2.696 -3.745 -3.745 561 2HG1 VAL 77 2HG1 VAL 77 3.353 -2.331 -2.331 562 3HG1 VAL 77 1HG1 VAL 77 3.220 -3.869 -3.869 563 1HG2 VAL 77 3HG2 VAL 77 0.253 -2.073 -2.073 564 2HG2 VAL 77 2HG2 VAL 77 0.223 -1.030 -1.030 565 3HG2 VAL 77 1HG2 VAL 77 1.678 -1.126 -1.126 566 H TYR 78 H TYR 78 0.234 -4.920 -4.920 567 HA TYR 78 HA TYR 78 2.359 -6.938 -6.938 568 1HB TYR 78 2HB TYR 78 0.782 -5.576 -5.576 569 2HB TYR 78 1HB TYR 78 1.082 -7.278 -7.278 570 HD1 TYR 78 HD2 TYR 78 3.662 -7.837 -7.837 571 HD2 TYR 78 HD1 TYR 78 2.317 -4.290 -4.290 572 HE1 TYR 78 HE2 TYR 78 6.004 -7.296 -7.296 573 HE2 TYR 78 HE1 TYR 78 4.658 -3.749 -3.749 574 HH TYR 78 HH TYR 78 6.804 -4.286 -4.286 575 H CYS 79 H CYS 79 -1.135 -6.805 -6.805 576 HA CYS 79 HA CYS 79 -1.458 -9.723 -9.723 577 1HB CYS 79 2HB CYS 79 -3.256 -7.353 -7.353 578 2HB CYS 79 1HB CYS 79 -3.868 -9.007 -9.007 579 HG CYS 79 HG CYS 79 -2.640 -7.633 -7.633 580 H ALA 80 H ALA 80 -0.757 -7.499 -7.499 581 HA ALA 80 HA ALA 80 -1.971 -9.026 -9.026 582 1HB ALA 80 1HB ALA 80 0.073 -6.789 -6.789 583 2HB ALA 80 3HB ALA 80 -0.648 -7.369 -7.369 584 3HB ALA 80 2HB ALA 80 -1.658 -6.604 -6.604 585 H LEU 81 H LEU 81 0.878 -9.196 -9.196 586 HA LEU 81 HA LEU 81 2.443 -10.607 -10.607 587 1HB LEU 81 2HB LEU 81 2.938 -9.820 -9.820 588 2HB LEU 81 1HB LEU 81 4.144 -10.586 -10.586 589 HG LEU 81 HG LEU 81 2.848 -8.266 -8.266 590 1HD1 LEU 81 3HD1 LEU 81 2.936 -7.628 -7.628 591 2HD1 LEU 81 2HD1 LEU 81 4.689 -7.783 -7.783 592 3HD1 LEU 81 1HD1 LEU 81 3.856 -6.574 -6.574 593 1HD2 LEU 81 3HD2 LEU 81 5.236 -9.746 -9.746 594 2HD2 LEU 81 2HD2 LEU 81 4.815 -8.313 -8.313 595 3HD2 LEU 81 1HD2 LEU 81 5.718 -8.147 -8.147 596 H GLU 82 H GLU 82 1.132 -11.302 -11.302 597 HA GLU 82 HA GLU 82 1.475 -14.207 -14.207 598 1HB GLU 82 2HB GLU 82 2.832 -13.861 -13.861 599 2HB GLU 82 1HB GLU 82 1.912 -12.462 -12.462 600 1HG GLU 82 2HG GLU 82 0.243 -13.828 -13.828 601 2HG GLU 82 1HG GLU 82 0.824 -15.278 -15.278 602 H LYS 83 H LYS 83 -0.864 -11.772 -11.772 603 HA LYS 83 HA LYS 83 -2.812 -13.830 -13.830 604 1HB LYS 83 2HB LYS 83 -2.626 -11.684 -11.684 605 2HB LYS 83 1HB LYS 83 -3.015 -10.819 -10.819 606 1HG LYS 83 2HG LYS 83 -5.166 -10.950 -10.950 607 2HG LYS 83 1HG LYS 83 -5.084 -12.620 -12.620 608 1HD LYS 83 2HD LYS 83 -4.216 -11.833 -11.833 609 2HD LYS 83 1HD LYS 83 -5.882 -12.279 -12.279 610 1HE LYS 83 2HE LYS 83 -4.318 -14.283 -14.283 611 2HE LYS 83 1HE LYS 83 -3.593 -14.018 -14.018 612 1HZ LYS 83 2HZ LYS 83 -6.015 -13.927 -13.927 613 2HZ LYS 83 1HZ LYS 83 -6.386 -14.708 -14.708 614 3HZ LYS 83 3HZ LYS 83 -5.349 -15.452 -15.452 615 H GLU 84 H GLU 84 -3.780 -11.080 -11.080 616 HA GLU 84 HA GLU 84 -4.347 -12.846 -12.846 617 1HB GLU 84 2HB GLU 84 -6.214 -12.097 -12.097 618 2HB GLU 84 1HB GLU 84 -6.719 -11.380 -11.380 619 1HG GLU 84 2HG GLU 84 -7.551 -13.388 -13.388 620 2HG GLU 84 1HG GLU 84 -5.896 -13.994 -13.994 621 HA PRO 85 HA PRO 85 -3.868 -9.228 -9.228 622 1HB PRO 85 2HB PRO 85 -6.095 -9.114 -9.114 623 2HB PRO 85 1HB PRO 85 -4.787 -10.293 -10.293 624 1HG PRO 85 2HG PRO 85 -7.424 -10.639 -10.639 625 2HG PRO 85 1HG PRO 85 -6.574 -11.731 -11.731 626 1HD PRO 85 2HD PRO 85 -6.567 -12.110 -12.110 627 2HD PRO 85 1HD PRO 85 -5.171 -12.531 -12.531 628 H VAL 86 H VAL 86 -5.180 -7.108 -7.108 629 HA VAL 86 HA VAL 86 -6.792 -6.206 -6.206 630 HB VAL 86 HB VAL 86 -4.681 -4.851 -4.851 631 1HG1 VAL 86 1HG1 VAL 86 -6.891 -3.725 -3.725 632 2HG1 VAL 86 3HG1 VAL 86 -5.300 -3.073 -3.073 633 3HG1 VAL 86 2HG1 VAL 86 -5.912 -2.969 -2.969 634 1HG2 VAL 86 3HG2 VAL 86 -4.917 -5.752 -5.752 635 2HG2 VAL 86 2HG2 VAL 86 -3.631 -6.092 -6.092 636 3HG2 VAL 86 1HG2 VAL 86 -3.781 -4.482 -4.482 637 HA PRO 87 HA PRO 87 -9.661 -5.259 -5.259 638 1HB PRO 87 2HB PRO 87 -11.809 -4.824 -4.824 639 2HB PRO 87 1HB PRO 87 -11.242 -6.451 -6.451 640 1HG PRO 87 2HG PRO 87 -10.956 -4.951 -4.951 641 2HG PRO 87 1HG PRO 87 -11.006 -6.696 -6.696 642 1HD PRO 87 2HD PRO 87 -8.715 -5.130 -5.130 643 2HD PRO 87 1HD PRO 87 -8.751 -6.823 -6.823 644 H MET 88 H MET 88 -10.871 -3.247 -3.247 645 HA MET 88 HA MET 88 -9.573 -0.832 -0.832 646 1HB MET 88 2HB MET 88 -11.711 -1.375 -1.375 647 2HB MET 88 1HB MET 88 -11.084 0.233 0.233 648 1HG MET 88 2HG MET 88 -8.874 -0.377 -0.377 649 2HG MET 88 1HG MET 88 -9.302 -2.086 -2.086 650 1HE MET 88 1HE MET 88 -9.835 1.330 1.330 651 2HE MET 88 3HE MET 88 -8.919 1.071 1.071 652 3HE MET 88 2HE MET 88 -10.653 1.380 1.380 653 H SER 89 H SER 89 -11.892 -2.628 -2.628 654 HA SER 89 HA SER 89 -13.756 -0.383 -0.383 655 1HB SER 89 2HB SER 89 -13.778 -3.370 -3.370 656 2HB SER 89 1HB SER 89 -14.933 -2.389 -2.389 657 HG SER 89 HG SER 89 -14.942 -3.093 -3.093 658 H LEU 90 H LEU 90 -13.161 0.877 0.877 659 HA LEU 90 HA LEU 90 -11.774 -0.326 -0.326 660 1HB LEU 90 2HB LEU 90 -10.529 1.516 1.516 661 2HB LEU 90 1HB LEU 90 -11.863 2.257 2.257 662 HG LEU 90 HG LEU 90 -12.803 3.139 3.139 663 1HD1 LEU 90 3HD1 LEU 90 -11.704 0.895 0.895 664 2HD1 LEU 90 2HD1 LEU 90 -10.752 2.223 2.223 665 3HD1 LEU 90 1HD1 LEU 90 -12.508 2.224 2.224 666 1HD2 LEU 90 3HD2 LEU 90 -10.547 4.076 4.076 667 2HD2 LEU 90 2HD2 LEU 90 -11.172 4.712 4.712 668 3HD2 LEU 90 1HD2 LEU 90 -9.878 3.512 3.512 669 HA PRO 91 HA PRO 91 -16.197 -0.131 -0.131 670 1HB PRO 91 2HB PRO 91 -15.916 -2.139 -2.139 671 2HB PRO 91 1HB PRO 91 -16.241 -2.432 -2.432 672 1HG PRO 91 2HG PRO 91 -13.624 -2.470 -2.470 673 2HG PRO 91 1HG PRO 91 -14.276 -3.636 -3.636 674 1HD PRO 91 2HD PRO 91 -12.489 -1.823 -1.823 675 2HD PRO 91 1HD PRO 91 -13.868 -2.246 -2.246 676 HA PRO 92 HA PRO 92 -15.851 2.189 2.189 677 1HB PRO 92 2HB PRO 92 -17.824 1.187 1.187 678 2HB PRO 92 1HB PRO 92 -18.156 2.180 2.180 679 1HG PRO 92 2HG PRO 92 -18.272 -0.781 -0.781 680 2HG PRO 92 1HG PRO 92 -19.374 0.304 0.304 681 1HD PRO 92 2HD PRO 92 -17.505 -1.186 -1.186 682 2HD PRO 92 1HD PRO 92 -18.029 0.404 0.404 683 H ALA 93 H ALA 93 -15.302 -1.168 -1.168 684 HA ALA 93 HA ALA 93 -14.666 -1.399 -1.399 685 1HB ALA 93 2HB ALA 93 -15.127 -3.080 -3.080 686 2HB ALA 93 1HB ALA 93 -13.408 -3.291 -3.291 687 3HB ALA 93 3HB ALA 93 -14.594 -3.597 -3.597 688 H LEU 94 H LEU 94 -13.239 0.302 0.302 689 HA LEU 94 HA LEU 94 -10.467 -0.220 -0.220 690 1HB LEU 94 2HB LEU 94 -11.794 0.532 0.532 691 2HB LEU 94 1HB LEU 94 -10.282 1.381 1.381 692 HG LEU 94 HG LEU 94 -9.805 -0.673 -0.673 693 1HD1 LEU 94 2HD1 LEU 94 -8.814 -0.064 -0.064 694 2HD1 LEU 94 1HD1 LEU 94 -8.769 -1.807 -1.807 695 3HD1 LEU 94 3HD1 LEU 94 -7.945 -0.719 -0.719 696 1HD2 LEU 94 2HD2 LEU 94 -11.965 -1.685 -1.685 697 2HD2 LEU 94 1HD2 LEU 94 -10.887 -2.624 -2.624 698 3HD2 LEU 94 3HD2 LEU 94 -10.581 -2.523 -2.523 699 H VAL 95 H VAL 95 -13.048 2.026 2.026 700 HA VAL 95 HA VAL 95 -11.384 4.414 4.414 701 HB VAL 95 HB VAL 95 -13.598 5.449 5.449 702 1HG1 VAL 95 3HG1 VAL 95 -12.855 3.803 3.803 703 2HG1 VAL 95 2HG1 VAL 95 -14.601 4.019 4.019 704 3HG1 VAL 95 1HG1 VAL 95 -13.542 5.427 5.427 705 1HG2 VAL 95 2HG2 VAL 95 -14.261 2.730 2.730 706 2HG2 VAL 95 1HG2 VAL 95 -15.208 4.198 4.198 707 3HG2 VAL 95 3HG2 VAL 95 -15.344 3.296 3.296 708 HA PRO 96 HA PRO 96 -10.869 3.526 3.526 709 1HB PRO 96 2HB PRO 96 -9.590 5.871 5.871 710 2HB PRO 96 1HB PRO 96 -8.779 4.509 4.509 711 1HG PRO 96 2HG PRO 96 -9.864 7.020 7.020 712 2HG PRO 96 1HG PRO 96 -8.380 6.138 6.138 713 1HD PRO 96 2HD PRO 96 -10.642 5.997 5.997 714 2HD PRO 96 1HD PRO 96 -9.462 4.672 4.672 715 HA PRO 97 HA PRO 97 -14.064 5.810 5.810 716 1HB PRO 97 2HB PRO 97 -13.049 6.483 6.483 717 2HB PRO 97 1HB PRO 97 -13.514 4.825 4.825 718 1HG PRO 97 2HG PRO 97 -10.811 6.071 6.071 719 2HG PRO 97 1HG PRO 97 -11.319 4.442 4.442 720 1HD PRO 97 2HD PRO 97 -10.059 5.000 5.000 721 2HD PRO 97 1HD PRO 97 -11.179 3.637 3.637 722 H SER 98 H SER 98 -11.023 7.379 7.379 723 HA SER 98 HA SER 98 -12.007 10.033 10.033 724 1HB SER 98 2HB SER 98 -9.649 9.299 9.299 725 2HB SER 98 1HB SER 98 -9.493 9.121 9.121 726 HG SER 98 HG SER 98 -10.096 11.506 11.506 727 H LYS 99 H LYS 99 -11.416 8.208 8.208 728 HA LYS 99 HA LYS 99 -12.256 10.497 10.497 729 1HB LYS 99 2HB LYS 99 -11.198 7.702 7.702 730 2HB LYS 99 1HB LYS 99 -11.875 8.612 8.612 731 1HG LYS 99 2HG LYS 99 -9.998 9.839 9.839 732 2HG LYS 99 1HG LYS 99 -10.074 10.289 10.289 733 1HD LYS 99 2HD LYS 99 -8.708 8.541 8.541 734 2HD LYS 99 1HD LYS 99 -9.164 7.526 7.526 735 1HE LYS 99 2HE LYS 99 -6.986 8.176 8.176 736 2HE LYS 99 1HE LYS 99 -7.955 9.423 9.423 737 1HZ LYS 99 2HZ LYS 99 -7.273 9.838 9.838 738 2HZ LYS 99 1HZ LYS 99 -6.031 10.052 10.052 739 3HZ LYS 99 3HZ LYS 99 -7.449 10.976 10.976 740 H ARG 100 H ARG 100 -13.903 8.504 8.504 741 HA ARG 100 HA ARG 100 -15.992 7.668 7.668 742 1HB ARG 100 2HB ARG 100 -15.690 5.963 5.963 743 2HB ARG 100 1HB ARG 100 -15.108 7.052 7.052 744 1HG ARG 100 2HG ARG 100 -17.395 7.804 7.804 745 2HG ARG 100 1HG ARG 100 -18.003 6.768 6.768 746 1HD ARG 100 2HD ARG 100 -16.672 5.879 5.879 747 2HD ARG 100 1HD ARG 100 -18.340 5.560 5.560 748 HE ARG 100 HE ARG 100 -15.934 4.462 4.462 749 1HH1 ARG 100 1HH2 ARG 100 -19.229 4.775 4.775 750 2HH1 ARG 100 2HH2 ARG 100 -19.563 3.083 3.083 751 1HH2 ARG 100 2HH1 ARG 100 -16.361 2.102 2.102 752 2HH2 ARG 100 1HH1 ARG 100 -17.940 1.569 1.569 Start of MODEL 7 1 HA PRO 6 HA PRO 6 -14.265 -2.972 -2.972 2 1HB PRO 6 2HB PRO 6 -11.642 -3.057 -3.057 3 2HB PRO 6 1HB PRO 6 -12.973 -3.508 -3.508 4 1HG PRO 6 2HG PRO 6 -11.113 -5.242 -5.242 5 2HG PRO 6 1HG PRO 6 -11.804 -5.474 -5.474 6 1HD PRO 6 2HD PRO 6 -12.709 -6.739 -6.739 7 2HD PRO 6 1HD PRO 6 -13.700 -6.444 -6.444 8 H TRP 7 H TRP 7 -11.913 -1.631 -1.631 9 HA TRP 7 HA TRP 7 -11.963 -1.183 -1.183 10 1HB TRP 7 2HB TRP 7 -11.062 0.352 0.352 11 2HB TRP 7 1HB TRP 7 -9.737 -0.769 -0.769 12 HD1 TRP 7 HD1 TRP 7 -10.836 -0.394 -0.394 13 HE1 TRP 7 HE1 TRP 7 -9.037 0.886 0.886 14 HE3 TRP 7 HE3 TRP 7 -7.847 1.156 1.156 15 HZ2 TRP 7 HZ2 TRP 7 -6.642 2.373 2.373 16 HZ3 TRP 7 HZ3 TRP 7 -5.816 2.502 2.502 17 HH2 TRP 7 HH2 TRP 7 -5.210 3.111 3.111 18 H ALA 8 H ALA 8 -11.034 -2.269 -2.269 19 HA ALA 8 HA ALA 8 -10.019 -4.845 -4.845 20 1HB ALA 8 3HB ALA 8 -9.459 -2.484 -2.484 21 2HB ALA 8 2HB ALA 8 -8.866 -4.101 -4.101 22 3HB ALA 8 1HB ALA 8 -10.602 -3.798 -3.798 23 H VAL 9 H VAL 9 -8.361 -1.867 -1.867 24 HA VAL 9 HA VAL 9 -5.785 -3.372 -3.372 25 HB VAL 9 HB VAL 9 -6.494 -0.461 -0.461 26 1HG1 VAL 9 2HG1 VAL 9 -3.822 -1.721 -1.721 27 2HG1 VAL 9 1HG1 VAL 9 -4.000 -0.102 -0.102 28 3HG1 VAL 9 3HG1 VAL 9 -4.671 -0.472 -0.472 29 1HG2 VAL 9 3HG2 VAL 9 -4.992 -2.577 -2.577 30 2HG2 VAL 9 2HG2 VAL 9 -6.480 -1.751 -1.751 31 3HG2 VAL 9 1HG2 VAL 9 -4.958 -0.863 -0.863 32 H LYS 10 H LYS 10 -4.825 -3.427 -3.427 33 HA LYS 10 HA LYS 10 -6.419 -2.262 -2.262 34 1HB LYS 10 2HB LYS 10 -4.943 -4.735 -4.735 35 2HB LYS 10 1HB LYS 10 -4.551 -4.054 -4.054 36 1HG LYS 10 2HG LYS 10 -7.006 -3.882 -3.882 37 2HG LYS 10 1HG LYS 10 -7.317 -4.715 -4.715 38 1HD LYS 10 2HD LYS 10 -6.384 -6.727 -6.727 39 2HD LYS 10 1HD LYS 10 -5.447 -5.926 -5.926 40 1HE LYS 10 2HE LYS 10 -8.037 -5.269 -5.269 41 2HE LYS 10 1HE LYS 10 -8.211 -6.926 -6.926 42 1HZ LYS 10 2HZ LYS 10 -5.936 -7.153 -7.153 43 2HZ LYS 10 1HZ LYS 10 -6.678 -5.945 -5.945 44 3HZ LYS 10 3HZ LYS 10 -7.449 -7.440 -7.440 45 HA PRO 11 HA PRO 11 -3.132 0.312 0.312 46 1HB PRO 11 2HB PRO 11 -2.655 -0.415 -0.415 47 2HB PRO 11 1HB PRO 11 -4.092 0.498 0.498 48 1HG PRO 11 2HG PRO 11 -3.800 -2.417 -2.417 49 2HG PRO 11 1HG PRO 11 -5.118 -1.314 -1.314 50 1HD PRO 11 2HD PRO 11 -5.284 -3.027 -3.027 51 2HD PRO 11 1HD PRO 11 -6.086 -1.440 -1.440 52 H GLU 12 H GLU 12 -2.640 -3.113 -3.113 53 HA GLU 12 HA GLU 12 0.228 -2.990 -2.990 54 1HB GLU 12 2HB GLU 12 0.043 -5.393 -5.393 55 2HB GLU 12 1HB GLU 12 -1.413 -4.800 -4.800 56 1HG GLU 12 2HG GLU 12 -2.609 -4.916 -4.916 57 2HG GLU 12 1HG GLU 12 -1.164 -5.630 -5.630 58 H ASP 13 H ASP 13 -1.983 -3.476 -3.476 59 HA ASP 13 HA ASP 13 0.170 -3.990 -3.990 60 1HB ASP 13 2HB ASP 13 -2.757 -4.017 -4.017 61 2HB ASP 13 1HB ASP 13 -2.186 -3.326 -3.326 62 H LYS 14 H LYS 14 -1.969 -1.356 -1.356 63 HA LYS 14 HA LYS 14 -1.025 0.542 0.542 64 1HB LYS 14 2HB LYS 14 -3.229 0.481 0.481 65 2HB LYS 14 1HB LYS 14 -2.293 1.109 1.109 66 1HG LYS 14 2HG LYS 14 -1.859 2.554 2.554 67 2HG LYS 14 1HG LYS 14 -3.503 2.671 2.671 68 1HD LYS 14 2HD LYS 14 -2.492 3.272 3.272 69 2HD LYS 14 1HD LYS 14 -0.939 3.412 3.412 70 1HE LYS 14 2HE LYS 14 -1.841 5.632 5.632 71 2HE LYS 14 1HE LYS 14 -2.153 5.024 5.024 72 1HZ LYS 14 2HZ LYS 14 -4.100 4.477 4.477 73 2HZ LYS 14 1HZ LYS 14 -4.097 6.012 6.012 74 3HZ LYS 14 3HZ LYS 14 -4.351 4.627 4.627 75 H ALA 15 H ALA 15 0.193 -0.725 -0.725 76 HA ALA 15 HA ALA 15 1.780 1.566 1.566 77 1HB ALA 15 2HB ALA 15 1.582 -1.376 -1.376 78 2HB ALA 15 1HB ALA 15 2.940 -0.445 -0.445 79 3HB ALA 15 3HB ALA 15 1.289 -0.001 -0.001 80 H LYS 16 H LYS 16 2.370 -1.413 -1.413 81 HA LYS 16 HA LYS 16 5.163 -0.782 -0.782 82 1HB LYS 16 2HB LYS 16 5.149 -2.907 -2.907 83 2HB LYS 16 1HB LYS 16 3.609 -3.017 -3.017 84 1HG LYS 16 2HG LYS 16 2.395 -2.455 -2.455 85 2HG LYS 16 1HG LYS 16 3.896 -2.108 -2.108 86 1HD LYS 16 2HD LYS 16 3.534 -4.277 -4.277 87 2HD LYS 16 1HD LYS 16 4.478 -4.601 -4.601 88 1HE LYS 16 2HE LYS 16 2.598 -5.277 -5.277 89 2HE LYS 16 1HE LYS 16 1.472 -4.400 -4.400 90 1HZ LYS 16 3HZ LYS 16 2.606 -5.970 -5.970 91 2HZ LYS 16 2HZ LYS 16 2.798 -6.972 -6.972 92 3HZ LYS 16 1HZ LYS 16 1.247 -6.464 -6.464 93 H TYR 17 H TYR 17 2.089 0.072 0.072 94 HA TYR 17 HA TYR 17 3.064 0.930 0.930 95 1HB TYR 17 2HB TYR 17 0.517 1.451 1.451 96 2HB TYR 17 1HB TYR 17 0.747 1.888 1.888 97 HD1 TYR 17 HD1 TYR 17 2.587 -1.028 -1.028 98 HD2 TYR 17 HD2 TYR 17 -1.485 0.318 0.318 99 HE1 TYR 17 HE1 TYR 17 1.872 -3.305 -3.305 100 HE2 TYR 17 HE2 TYR 17 -2.203 -1.956 -1.956 101 HH TYR 17 HH TYR 17 -1.458 -4.224 -4.224 102 H ASP 18 H ASP 18 2.532 2.285 2.285 103 HA ASP 18 HA ASP 18 2.789 5.080 5.080 104 1HB ASP 18 2HB ASP 18 1.646 4.020 4.020 105 2HB ASP 18 1HB ASP 18 3.266 3.823 3.823 106 H ALA 19 H ALA 19 5.025 2.519 2.519 107 HA ALA 19 HA ALA 19 7.292 4.326 4.326 108 1HB ALA 19 3HB ALA 19 6.630 1.478 1.478 109 2HB ALA 19 2HB ALA 19 8.217 1.750 1.750 110 3HB ALA 19 1HB ALA 19 7.862 2.370 2.370 111 H ILE 20 H ILE 20 5.925 2.374 2.374 112 HA ILE 20 HA ILE 20 8.017 2.878 2.878 113 HB ILE 20 HB ILE 20 5.200 1.779 1.779 114 1HG1 ILE 20 2HG1 ILE 20 7.655 0.362 0.362 115 2HG1 ILE 20 1HG1 ILE 20 7.403 0.547 0.547 116 1HG2 ILE 20 3HG2 ILE 20 5.608 3.022 3.022 117 2HG2 ILE 20 2HG2 ILE 20 6.930 1.900 1.900 118 3HG2 ILE 20 1HG2 ILE 20 5.276 1.302 1.302 119 1HD1 ILE 20 2HD1 ILE 20 5.124 -0.437 -0.437 120 2HD1 ILE 20 1HD1 ILE 20 6.426 -1.558 -1.558 121 3HD1 ILE 20 3HD1 ILE 20 5.499 -0.788 -0.788 122 H PHE 21 H PHE 21 5.012 4.299 4.299 123 HA PHE 21 HA PHE 21 4.630 6.130 6.130 124 1HB PHE 21 2HB PHE 21 2.676 5.760 5.760 125 2HB PHE 21 1HB PHE 21 3.524 5.538 5.538 126 HD1 PHE 21 HD2 PHE 21 4.451 7.583 7.583 127 HD2 PHE 21 HD1 PHE 21 1.703 7.842 7.842 128 HE1 PHE 21 HE2 PHE 21 3.885 9.905 9.905 129 HE2 PHE 21 HE1 PHE 21 1.132 10.161 10.161 130 HZ PHE 21 HZ PHE 21 2.228 11.195 11.195 131 H ASP 22 H ASP 22 6.120 6.307 6.307 132 HA ASP 22 HA ASP 22 6.905 9.121 9.121 133 1HB ASP 22 2HB ASP 22 6.296 8.480 8.480 134 2HB ASP 22 1HB ASP 22 7.249 6.995 6.995 135 H SER 23 H SER 23 8.038 6.246 6.246 136 HA SER 23 HA SER 23 10.928 6.869 6.869 137 1HB SER 23 2HB SER 23 10.323 4.551 4.551 138 2HB SER 23 1HB SER 23 9.277 4.639 4.639 139 HG SER 23 HG SER 23 12.108 4.838 4.838 140 H LEU 24 H LEU 24 8.346 7.774 7.774 141 HA LEU 24 HA LEU 24 9.994 8.192 8.192 142 1HB LEU 24 2HB LEU 24 7.089 8.758 8.758 143 2HB LEU 24 1HB LEU 24 8.042 7.853 7.853 144 HG LEU 24 HG LEU 24 7.119 6.840 6.840 145 1HD1 LEU 24 2HD1 LEU 24 5.667 7.097 7.097 146 2HD1 LEU 24 1HD1 LEU 24 6.253 5.436 5.436 147 3HD1 LEU 24 3HD1 LEU 24 5.301 5.977 5.977 148 1HD2 LEU 24 3HD2 LEU 24 9.065 5.883 5.883 149 2HD2 LEU 24 2HD2 LEU 24 8.927 5.483 5.483 150 3HD2 LEU 24 1HD2 LEU 24 7.900 4.671 4.671 151 H SER 25 H SER 25 8.934 9.718 9.718 152 HA SER 25 HA SER 25 9.172 11.993 11.993 153 1HB SER 25 2HB SER 25 10.499 11.836 11.836 154 2HB SER 25 1HB SER 25 9.312 13.107 13.107 155 HG SER 25 HG SER 25 10.232 13.604 13.604 156 HA PRO 26 HA PRO 26 4.765 12.288 12.288 157 1HB PRO 26 2HB PRO 26 4.015 12.928 12.928 158 2HB PRO 26 1HB PRO 26 4.283 11.256 11.256 159 1HG PRO 26 2HG PRO 26 6.050 13.046 13.046 160 2HG PRO 26 1HG PRO 26 5.781 11.304 11.304 161 1HD PRO 26 2HD PRO 26 7.976 12.420 12.420 162 2HD PRO 26 1HD PRO 26 7.353 10.798 10.798 163 H VAL 27 H VAL 27 3.547 14.145 14.145 164 HA VAL 27 HA VAL 27 4.823 16.743 16.743 165 HB VAL 27 HB VAL 27 3.231 15.938 15.938 166 1HG1 VAL 27 1HG1 VAL 27 2.817 18.284 18.284 167 2HG1 VAL 27 3HG1 VAL 27 4.556 18.578 18.578 168 3HG1 VAL 27 2HG1 VAL 27 3.723 18.201 18.201 169 1HG2 VAL 27 3HG2 VAL 27 6.155 16.607 16.607 170 2HG2 VAL 27 2HG2 VAL 27 5.493 15.058 15.058 171 3HG2 VAL 27 1HG2 VAL 27 5.421 16.453 16.453 172 H ASN 28 H ASN 28 3.556 17.362 17.362 173 HA ASN 28 HA ASN 28 1.619 18.037 18.037 174 1HB ASN 28 2HB ASN 28 1.479 19.361 19.361 175 2HB ASN 28 1HB ASN 28 0.456 18.084 18.084 176 1HD2 ASN 28 1HD2 ASN 28 -1.665 17.704 17.704 177 2HD2 ASN 28 2HD2 ASN 28 -2.382 18.971 18.971 178 H GLY 29 H GLY 29 2.106 15.122 15.122 179 1HA GLY 29 2HA GLY 29 0.913 13.194 13.194 180 2HA GLY 29 1HA GLY 29 -0.578 14.139 14.139 181 H PHE 30 H PHE 30 1.700 14.025 14.025 182 HA PHE 30 HA PHE 30 -0.041 12.178 12.178 183 1HB PHE 30 2HB PHE 30 0.464 15.093 15.093 184 2HB PHE 30 1HB PHE 30 -0.192 13.949 13.949 185 HD1 PHE 30 HD2 PHE 30 -2.349 12.811 12.811 186 HD2 PHE 30 HD1 PHE 30 -0.867 15.928 15.928 187 HE1 PHE 30 HE2 PHE 30 -4.617 13.088 13.088 188 HE2 PHE 30 HE1 PHE 30 -3.115 16.201 16.201 189 HZ PHE 30 HZ PHE 30 -4.999 14.783 14.783 190 H LEU 31 H LEU 31 0.960 11.402 11.402 191 HA LEU 31 HA LEU 31 3.867 12.086 12.086 192 1HB LEU 31 2HB LEU 31 2.444 9.412 9.412 193 2HB LEU 31 1HB LEU 31 4.080 9.624 9.624 194 HG LEU 31 HG LEU 31 3.411 10.633 10.633 195 1HD1 LEU 31 1HD1 LEU 31 4.174 7.787 7.787 196 2HD1 LEU 31 3HD1 LEU 31 4.101 8.438 8.438 197 3HD1 LEU 31 2HD1 LEU 31 2.628 8.298 8.298 198 1HD2 LEU 31 2HD2 LEU 31 5.789 10.058 10.058 199 2HD2 LEU 31 1HD2 LEU 31 5.573 11.253 11.253 200 3HD2 LEU 31 3HD2 LEU 31 5.931 9.573 9.573 201 H SER 32 H SER 32 4.370 12.645 12.645 202 HA SER 32 HA SER 32 2.265 12.739 12.739 203 1HB SER 32 2HB SER 32 5.108 13.177 13.177 204 2HB SER 32 1HB SER 32 3.703 14.197 14.197 205 HG SER 32 HG SER 32 4.411 15.296 15.296 206 H GLY 33 H GLY 33 2.016 11.413 11.413 207 1HA GLY 33 2HA GLY 33 2.719 8.745 8.745 208 2HA GLY 33 1HA GLY 33 2.485 9.657 9.657 209 H ASP 34 H ASP 34 4.781 11.461 11.461 210 HA ASP 34 HA ASP 34 6.853 10.156 10.156 211 1HB ASP 34 2HB ASP 34 6.549 12.610 12.610 212 2HB ASP 34 1HB ASP 34 7.066 12.354 12.354 213 H LYS 35 H LYS 35 6.074 10.129 10.129 214 HA LYS 35 HA LYS 35 8.593 8.668 8.668 215 1HB LYS 35 2HB LYS 35 6.367 9.594 9.594 216 2HB LYS 35 1HB LYS 35 8.036 9.225 9.225 217 1HG LYS 35 2HG LYS 35 8.844 11.104 11.104 218 2HG LYS 35 1HG LYS 35 7.210 11.440 11.440 219 1HD LYS 35 2HD LYS 35 6.739 11.495 11.495 220 2HD LYS 35 1HD LYS 35 8.434 11.986 11.986 221 1HE LYS 35 2HE LYS 35 6.319 13.299 13.299 222 2HE LYS 35 1HE LYS 35 6.859 13.939 13.939 223 1HZ LYS 35 1HZ LYS 35 8.756 13.219 13.219 224 2HZ LYS 35 3HZ LYS 35 8.098 14.777 14.777 225 3HZ LYS 35 2HZ LYS 35 9.053 14.150 14.150 226 H VAL 36 H VAL 36 5.079 8.349 8.349 227 HA VAL 36 HA VAL 36 5.081 5.656 5.656 228 HB VAL 36 HB VAL 36 3.041 7.296 7.296 229 1HG1 VAL 36 1HG1 VAL 36 2.705 4.761 4.761 230 2HG1 VAL 36 3HG1 VAL 36 2.518 4.931 4.931 231 3HG1 VAL 36 2HG1 VAL 36 1.390 5.736 5.736 232 1HG2 VAL 36 3HG2 VAL 36 3.480 6.830 6.830 233 2HG2 VAL 36 2HG2 VAL 36 3.794 8.334 8.334 234 3HG2 VAL 36 1HG2 VAL 36 2.141 7.740 7.740 235 H LYS 37 H LYS 37 5.079 7.084 7.084 236 HA LYS 37 HA LYS 37 4.288 4.889 4.889 237 1HB LYS 37 2HB LYS 37 4.658 6.964 6.964 238 2HB LYS 37 1HB LYS 37 6.267 7.138 7.138 239 1HG LYS 37 2HG LYS 37 7.047 5.217 5.217 240 2HG LYS 37 1HG LYS 37 5.444 5.109 5.109 241 1HD LYS 37 2HD LYS 37 6.077 6.644 6.644 242 2HD LYS 37 1HD LYS 37 6.235 7.820 7.820 243 1HE LYS 37 2HE LYS 37 8.496 7.774 7.774 244 2HE LYS 37 1HE LYS 37 8.517 6.002 6.002 245 1HZ LYS 37 1HZ LYS 37 7.494 7.263 7.263 246 2HZ LYS 37 3HZ LYS 37 9.173 7.264 7.264 247 3HZ LYS 37 2HZ LYS 37 8.323 5.794 5.794 248 HA PRO 38 HA PRO 38 8.826 3.285 3.285 249 1HB PRO 38 2HB PRO 38 10.492 4.320 4.320 250 2HB PRO 38 1HB PRO 38 10.369 4.999 4.999 251 1HG PRO 38 2HG PRO 38 9.054 5.903 5.903 252 2HG PRO 38 1HG PRO 38 9.831 6.868 6.868 253 1HD PRO 38 2HD PRO 38 7.169 6.637 6.637 254 2HD PRO 38 1HD PRO 38 8.014 6.711 6.711 255 H VAL 39 H VAL 39 7.367 4.324 4.324 256 HA VAL 39 HA VAL 39 8.233 2.091 2.091 257 HB VAL 39 HB VAL 39 6.169 4.275 4.275 258 1HG1 VAL 39 3HG1 VAL 39 6.220 1.804 1.804 259 2HG1 VAL 39 2HG1 VAL 39 6.270 3.252 3.252 260 3HG1 VAL 39 1HG1 VAL 39 4.948 3.019 3.019 261 1HG2 VAL 39 1HG2 VAL 39 8.820 4.326 4.326 262 2HG2 VAL 39 3HG2 VAL 39 7.668 5.365 5.365 263 3HG2 VAL 39 2HG2 VAL 39 8.229 3.875 3.875 264 H LEU 40 H LEU 40 5.778 2.509 2.509 265 HA LEU 40 HA LEU 40 4.153 0.242 0.242 266 1HB LEU 40 2HB LEU 40 3.952 2.204 2.204 267 2HB LEU 40 1HB LEU 40 2.832 0.859 0.859 268 HG LEU 40 HG LEU 40 3.339 2.961 2.961 269 1HD1 LEU 40 1HD1 LEU 40 1.033 2.631 2.631 270 2HD1 LEU 40 3HD1 LEU 40 1.086 3.792 3.792 271 3HD1 LEU 40 2HD1 LEU 40 2.219 3.936 3.936 272 1HD2 LEU 40 2HD2 LEU 40 1.685 0.483 0.483 273 2HD2 LEU 40 1HD2 LEU 40 2.503 1.176 1.176 274 3HD2 LEU 40 3HD2 LEU 40 0.982 1.867 1.867 275 H LEU 41 H LEU 41 6.707 0.952 0.952 276 HA LEU 41 HA LEU 41 6.308 -1.333 -1.333 277 1HB LEU 41 2HB LEU 41 8.561 0.627 0.627 278 2HB LEU 41 1HB LEU 41 8.564 -0.548 -0.548 279 HG LEU 41 HG LEU 41 6.232 1.307 1.307 280 1HD1 LEU 41 3HD1 LEU 41 8.866 2.190 2.190 281 2HD1 LEU 41 2HD1 LEU 41 8.146 2.208 2.208 282 3HD1 LEU 41 1HD1 LEU 41 7.394 3.114 3.114 283 1HD2 LEU 41 3HD2 LEU 41 6.161 -0.655 -0.655 284 2HD2 LEU 41 2HD2 LEU 41 5.993 0.884 0.884 285 3HD2 LEU 41 1HD2 LEU 41 7.533 0.022 0.022 286 H ASN 42 H ASN 42 8.226 -0.539 -0.539 287 HA ASN 42 HA ASN 42 10.132 -2.533 -2.533 288 1HB ASN 42 2HB ASN 42 9.997 -2.251 -2.251 289 2HB ASN 42 1HB ASN 42 9.442 -0.722 -0.722 290 1HD2 ASN 42 1HD2 ASN 42 6.801 -1.250 -1.250 291 2HD2 ASN 42 2HD2 ASN 42 5.907 -1.718 -1.718 292 H SER 43 H SER 43 6.650 -2.920 -2.920 293 HA SER 43 HA SER 43 6.625 -5.602 -5.602 294 1HB SER 43 2HB SER 43 4.421 -5.085 -5.085 295 2HB SER 43 1HB SER 43 4.853 -3.531 -3.531 296 HG SER 43 HG SER 43 3.277 -4.803 -4.803 297 H LYS 44 H LYS 44 7.671 -4.421 -4.421 298 HA LYS 44 HA LYS 44 8.393 -5.592 -5.592 299 1HB LYS 44 2HB LYS 44 8.460 -7.425 -7.425 300 2HB LYS 44 1HB LYS 44 7.168 -8.127 -8.127 301 1HG LYS 44 2HG LYS 44 8.798 -9.028 -9.028 302 2HG LYS 44 1HG LYS 44 9.082 -7.395 -7.395 303 1HD LYS 44 2HD LYS 44 10.622 -7.042 -7.042 304 2HD LYS 44 1HD LYS 44 10.478 -8.770 -8.770 305 1HE LYS 44 2HE LYS 44 11.982 -9.253 -9.253 306 2HE LYS 44 1HE LYS 44 11.084 -8.280 -8.280 307 1HZ LYS 44 3HZ LYS 44 12.614 -6.961 -6.961 308 2HZ LYS 44 2HZ LYS 44 13.416 -7.491 -7.491 309 3HZ LYS 44 1HZ LYS 44 12.159 -6.353 -6.353 310 H LEU 45 H LEU 45 5.353 -4.904 -4.904 311 HA LEU 45 HA LEU 45 3.807 -6.467 -6.467 312 1HB LEU 45 2HB LEU 45 3.369 -4.218 -4.218 313 2HB LEU 45 1HB LEU 45 2.128 -4.570 -4.570 314 HG LEU 45 HG LEU 45 3.278 -6.534 -6.534 315 1HD1 LEU 45 1HD1 LEU 45 1.475 -4.607 -4.607 316 2HD1 LEU 45 3HD1 LEU 45 0.389 -5.825 -5.825 317 3HD1 LEU 45 2HD1 LEU 45 1.383 -6.207 -6.207 318 1HD2 LEU 45 3HD2 LEU 45 2.053 -6.972 -6.972 319 2HD2 LEU 45 2HD2 LEU 45 2.455 -8.174 -8.174 320 3HD2 LEU 45 1HD2 LEU 45 0.869 -7.404 -7.404 321 HA PRO 46 HA PRO 46 4.257 -3.781 -3.781 322 1HB PRO 46 2HB PRO 46 1.793 -4.027 -4.027 323 2HB PRO 46 1HB PRO 46 3.021 -5.307 -5.307 324 1HG PRO 46 2HG PRO 46 0.596 -5.071 -5.071 325 2HG PRO 46 1HG PRO 46 1.360 -6.508 -6.508 326 1HD PRO 46 2HD PRO 46 1.601 -5.722 -5.722 327 2HD PRO 46 1HD PRO 46 2.751 -6.774 -6.774 328 H VAL 47 H VAL 47 3.342 -1.758 -1.758 329 HA VAL 47 HA VAL 47 2.604 0.180 0.180 330 HB VAL 47 HB VAL 47 2.754 0.038 0.038 331 1HG1 VAL 47 3HG1 VAL 47 1.877 2.410 2.410 332 2HG1 VAL 47 2HG1 VAL 47 2.349 2.507 2.507 333 3HG1 VAL 47 1HG1 VAL 47 0.921 1.583 1.583 334 1HG2 VAL 47 1HG2 VAL 47 4.409 0.975 0.975 335 2HG2 VAL 47 3HG2 VAL 47 4.905 0.378 0.378 336 3HG2 VAL 47 2HG2 VAL 47 4.382 2.052 2.052 337 H ASP 48 H ASP 48 0.702 -2.170 -2.170 338 HA ASP 48 HA ASP 48 -1.765 -0.646 -0.646 339 1HB ASP 48 2HB ASP 48 -0.808 -3.445 -3.445 340 2HB ASP 48 1HB ASP 48 -2.516 -3.228 -3.228 341 H ILE 49 H ILE 49 -0.296 -2.834 -2.834 342 HA ILE 49 HA ILE 49 -2.484 -2.862 -2.862 343 HB ILE 49 HB ILE 49 0.477 -3.053 -3.053 344 1HG1 ILE 49 2HG1 ILE 49 0.166 -4.502 -4.502 345 2HG1 ILE 49 1HG1 ILE 49 0.127 -5.535 -5.535 346 1HG2 ILE 49 3HG2 ILE 49 -1.893 -3.382 -3.382 347 2HG2 ILE 49 2HG2 ILE 49 -1.199 -4.988 -4.988 348 3HG2 ILE 49 1HG2 ILE 49 -0.233 -3.704 -3.704 349 1HD1 ILE 49 3HD1 ILE 49 -2.366 -5.404 -5.404 350 2HD1 ILE 49 2HD1 ILE 49 -2.272 -4.486 -4.486 351 3HD1 ILE 49 1HD1 ILE 49 -1.705 -6.156 -6.156 352 H LEU 50 H LEU 50 0.458 -0.950 -0.950 353 HA LEU 50 HA LEU 50 0.088 0.766 0.766 354 1HB LEU 50 2HB LEU 50 1.399 1.443 1.443 355 2HB LEU 50 1HB LEU 50 1.845 2.034 2.034 356 HG LEU 50 HG LEU 50 2.287 -0.696 -0.696 357 1HD1 LEU 50 2HD1 LEU 50 3.989 1.346 1.346 358 2HD1 LEU 50 1HD1 LEU 50 4.555 -0.272 -0.272 359 3HD1 LEU 50 3HD1 LEU 50 4.105 0.859 0.859 360 1HD2 LEU 50 3HD2 LEU 50 1.652 -0.036 -0.036 361 2HD2 LEU 50 2HD2 LEU 50 1.631 -1.596 -1.596 362 3HD2 LEU 50 1HD2 LEU 50 3.150 -0.943 -0.943 363 H GLY 51 H GLY 51 -1.507 0.628 0.628 364 1HA GLY 51 2HA GLY 51 -2.403 3.440 3.440 365 2HA GLY 51 1HA GLY 51 -2.840 2.276 2.276 366 H ARG 52 H ARG 52 -3.595 0.195 0.195 367 HA ARG 52 HA ARG 52 -6.308 1.160 1.160 368 1HB ARG 52 2HB ARG 52 -5.055 -1.217 -1.217 369 2HB ARG 52 1HB ARG 52 -5.714 -1.571 -1.571 370 1HG ARG 52 2HG ARG 52 -7.865 -0.398 -0.398 371 2HG ARG 52 1HG ARG 52 -7.168 -0.660 -0.660 372 1HD ARG 52 2HD ARG 52 -7.194 -2.989 -2.989 373 2HD ARG 52 1HD ARG 52 -8.728 -2.509 -2.509 374 HE ARG 52 HE ARG 52 -7.381 -2.555 -2.555 375 1HH1 ARG 52 1HH2 ARG 52 -4.819 -3.432 -3.432 376 2HH1 ARG 52 2HH2 ARG 52 -4.860 -5.146 -5.146 377 1HH2 ARG 52 2HH1 ARG 52 -8.244 -5.218 -5.218 378 2HH2 ARG 52 1HH1 ARG 52 -6.801 -6.158 -6.158 379 H VAL 53 H VAL 53 -3.667 -0.565 -0.565 380 HA VAL 53 HA VAL 53 -4.746 -0.574 -0.574 381 HB VAL 53 HB VAL 53 -1.948 -0.299 -0.299 382 1HG1 VAL 53 3HG1 VAL 53 -2.759 0.329 0.329 383 2HG1 VAL 53 2HG1 VAL 53 -1.927 -1.222 -1.222 384 3HG1 VAL 53 1HG1 VAL 53 -1.119 0.190 0.190 385 1HG2 VAL 53 3HG2 VAL 53 -3.465 -2.406 -2.406 386 2HG2 VAL 53 2HG2 VAL 53 -1.814 -2.621 -2.621 387 3HG2 VAL 53 1HG2 VAL 53 -3.155 -2.586 -2.586 388 H TRP 54 H TRP 54 -2.953 2.035 2.035 389 HA TRP 54 HA TRP 54 -2.876 3.873 3.873 390 1HB TRP 54 2HB TRP 54 -1.540 4.228 4.228 391 2HB TRP 54 1HB TRP 54 -2.965 4.203 4.203 392 HD1 TRP 54 HD1 TRP 54 -4.791 6.232 6.232 393 HE1 TRP 54 HE1 TRP 54 -4.356 8.691 8.691 394 HE3 TRP 54 HE3 TRP 54 -0.020 5.844 5.844 395 HZ2 TRP 54 HZ2 TRP 54 -2.250 10.286 10.286 396 HZ3 TRP 54 HZ3 TRP 54 1.183 7.845 7.845 397 HH2 TRP 54 HH2 TRP 54 0.074 10.062 10.062 398 H GLU 55 H GLU 55 -5.142 3.798 3.798 399 HA GLU 55 HA GLU 55 -6.909 5.802 5.802 400 1HB GLU 55 2HB GLU 55 -7.377 3.107 3.107 401 2HB GLU 55 1HB GLU 55 -8.620 4.355 4.355 402 1HG GLU 55 2HG GLU 55 -6.008 5.309 5.309 403 2HG GLU 55 1HG GLU 55 -6.796 4.132 4.132 404 H LEU 56 H LEU 56 -7.187 2.359 2.359 405 HA LEU 56 HA LEU 56 -9.340 2.866 2.866 406 1HB LEU 56 2HB LEU 56 -7.459 0.500 0.500 407 2HB LEU 56 1HB LEU 56 -9.049 0.489 0.489 408 HG LEU 56 HG LEU 56 -9.092 1.548 1.548 409 1HD1 LEU 56 1HD1 LEU 56 -7.292 -0.444 -0.444 410 2HD1 LEU 56 3HD1 LEU 56 -8.761 -1.406 -1.406 411 3HD1 LEU 56 2HD1 LEU 56 -8.321 -0.265 -0.265 412 1HD2 LEU 56 3HD2 LEU 56 -10.870 0.465 0.465 413 2HD2 LEU 56 2HD2 LEU 56 -11.190 0.651 0.651 414 3HD2 LEU 56 1HD2 LEU 56 -10.604 -0.890 -0.890 415 H SER 57 H SER 57 -6.004 3.408 3.408 416 HA SER 57 HA SER 57 -5.753 2.990 2.990 417 1HB SER 57 2HB SER 57 -3.903 3.450 3.450 418 2HB SER 57 1HB SER 57 -3.333 3.676 3.676 419 HG SER 57 HG SER 57 -4.151 1.360 1.360 420 H ASP 58 H ASP 58 -5.866 5.532 5.532 421 HA ASP 58 HA ASP 58 -5.070 7.614 7.614 422 1HB ASP 58 2HB ASP 58 -4.635 7.381 7.381 423 2HB ASP 58 1HB ASP 58 -6.237 8.110 8.110 424 H ILE 59 H ILE 59 -6.975 6.960 6.960 425 HA ILE 59 HA ILE 59 -9.681 7.177 7.177 426 HB ILE 59 HB ILE 59 -8.087 8.345 8.345 427 1HG1 ILE 59 2HG1 ILE 59 -7.679 5.933 5.933 428 2HG1 ILE 59 1HG1 ILE 59 -8.548 6.193 6.193 429 1HG2 ILE 59 2HG2 ILE 59 -10.476 9.136 9.136 430 2HG2 ILE 59 1HG2 ILE 59 -10.978 7.456 7.456 431 3HG2 ILE 59 3HG2 ILE 59 -10.106 8.277 8.277 432 1HD1 ILE 59 3HD1 ILE 59 -10.654 5.934 5.934 433 2HD1 ILE 59 2HD1 ILE 59 -9.479 4.942 4.942 434 3HD1 ILE 59 1HD1 ILE 59 -9.899 4.556 4.556 435 H ASP 60 H ASP 60 -7.291 9.749 9.749 436 HA ASP 60 HA ASP 60 -9.361 11.855 11.855 437 1HB ASP 60 2HB ASP 60 -7.677 12.384 12.384 438 2HB ASP 60 1HB ASP 60 -6.402 11.716 11.716 439 H HIS 61 H HIS 61 -7.035 10.034 10.034 440 HA HIS 61 HA HIS 61 -6.274 10.240 10.240 441 1HB HIS 61 2HB HIS 61 -8.215 10.318 10.318 442 2HB HIS 61 1HB HIS 61 -8.571 9.319 9.319 443 HD1 HIS 61 HD1 HIS 61 -9.332 12.702 12.702 444 HD2 HIS 61 HD2 HIS 61 -10.614 10.306 10.306 445 HE1 HIS 61 HE1 HIS 61 -11.428 13.788 13.788 446 H ASP 62 H ASP 62 -5.353 12.429 12.429 447 HA ASP 62 HA ASP 62 -6.229 14.714 14.714 448 1HB ASP 62 2HB ASP 62 -5.827 16.102 16.102 449 2HB ASP 62 1HB ASP 62 -6.460 14.636 14.636 450 H GLY 63 H GLY 63 -3.956 12.396 12.396 451 1HA GLY 63 2HA GLY 63 -2.070 12.552 12.552 452 2HA GLY 63 1HA GLY 63 -1.837 14.217 14.217 453 H MET 64 H MET 64 -2.621 12.329 12.329 454 HA MET 64 HA MET 64 0.168 11.463 11.463 455 1HB MET 64 2HB MET 64 -1.181 13.202 13.202 456 2HB MET 64 1HB MET 64 0.539 12.940 12.940 457 1HG MET 64 2HG MET 64 0.231 14.162 14.162 458 2HG MET 64 1HG MET 64 -1.360 14.634 14.634 459 1HE MET 64 2HE MET 64 2.218 15.075 15.075 460 2HE MET 64 1HE MET 64 2.745 16.142 16.142 461 3HE MET 64 3HE MET 64 2.424 14.433 14.433 462 H LEU 65 H LEU 65 0.311 10.150 10.150 463 HA LEU 65 HA LEU 65 -2.316 8.896 8.896 464 1HB LEU 65 2HB LEU 65 0.487 7.917 7.917 465 2HB LEU 65 1HB LEU 65 -0.535 7.029 7.029 466 HG LEU 65 HG LEU 65 -1.136 7.622 7.622 467 1HD1 LEU 65 2HD1 LEU 65 0.336 5.579 5.579 468 2HD1 LEU 65 1HD1 LEU 65 -1.271 4.869 4.869 469 3HD1 LEU 65 3HD1 LEU 65 -0.450 5.502 5.502 470 1HD2 LEU 65 3HD2 LEU 65 -2.830 6.558 6.558 471 2HD2 LEU 65 2HD2 LEU 65 -3.240 7.772 7.772 472 3HD2 LEU 65 1HD2 LEU 65 -3.147 6.071 6.071 473 H ASP 66 H ASP 66 -2.865 9.839 9.839 474 HA ASP 66 HA ASP 66 -0.905 10.831 10.831 475 1HB ASP 66 2HB ASP 66 -2.946 11.863 11.863 476 2HB ASP 66 1HB ASP 66 -3.849 10.403 10.403 477 H ARG 67 H ARG 67 -0.926 9.978 9.978 478 HA ARG 67 HA ARG 67 0.222 7.412 7.412 479 1HB ARG 67 2HB ARG 67 -0.288 7.630 7.630 480 2HB ARG 67 1HB ARG 67 0.420 9.086 9.086 481 1HG ARG 67 2HG ARG 67 -2.048 9.818 9.818 482 2HG ARG 67 1HG ARG 67 -2.435 8.578 8.578 483 1HD ARG 67 2HD ARG 67 -0.460 9.779 9.779 484 2HD ARG 67 1HD ARG 67 -0.976 11.162 11.162 485 HE ARG 67 HE ARG 67 -3.144 9.628 9.628 486 1HH1 ARG 67 1HH2 ARG 67 -1.136 11.155 11.155 487 2HH1 ARG 67 2HH2 ARG 67 -2.041 12.607 12.607 488 1HH2 ARG 67 2HH1 ARG 67 -4.275 12.016 12.016 489 2HH2 ARG 67 1HH1 ARG 67 -3.817 13.093 13.093 490 H ASP 68 H ASP 68 -3.188 8.324 8.324 491 HA ASP 68 HA ASP 68 -4.023 5.588 5.588 492 1HB ASP 68 2HB ASP 68 -5.010 8.187 8.187 493 2HB ASP 68 1HB ASP 68 -6.068 7.462 7.462 494 H GLU 69 H GLU 69 -3.983 7.698 7.698 495 HA GLU 69 HA GLU 69 -5.485 5.887 5.887 496 1HB GLU 69 2HB GLU 69 -3.518 8.078 8.078 497 2HB GLU 69 1HB GLU 69 -4.869 7.490 7.490 498 1HG GLU 69 2HG GLU 69 -6.418 8.253 8.253 499 2HG GLU 69 1HG GLU 69 -5.034 8.991 8.991 500 H PHE 70 H PHE 70 -2.062 6.734 6.734 501 HA PHE 70 HA PHE 70 -0.943 4.976 4.976 502 1HB PHE 70 2HB PHE 70 0.159 6.829 6.829 503 2HB PHE 70 1HB PHE 70 0.130 5.781 5.781 504 HD1 PHE 70 HD1 PHE 70 1.409 6.072 6.072 505 HD2 PHE 70 HD2 PHE 70 1.746 4.072 4.072 506 HE1 PHE 70 HE1 PHE 70 3.497 4.976 4.976 507 HE2 PHE 70 HE2 PHE 70 3.835 2.975 2.975 508 HZ PHE 70 HZ PHE 70 4.705 3.428 3.428 509 H ALA 71 H ALA 71 -2.085 4.454 4.454 510 HA ALA 71 HA ALA 71 -0.986 1.889 1.889 511 1HB ALA 71 1HB ALA 71 -2.293 3.474 3.474 512 2HB ALA 71 3HB ALA 71 -3.756 2.868 2.868 513 3HB ALA 71 2HB ALA 71 -2.729 1.771 1.771 514 H VAL 72 H VAL 72 -4.108 2.740 2.740 515 HA VAL 72 HA VAL 72 -5.023 0.104 0.104 516 HB VAL 72 HB VAL 72 -5.433 2.680 2.680 517 1HG1 VAL 72 2HG1 VAL 72 -6.202 0.266 0.266 518 2HG1 VAL 72 1HG1 VAL 72 -7.517 0.560 0.560 519 3HG1 VAL 72 3HG1 VAL 72 -7.236 1.681 1.681 520 1HG2 VAL 72 3HG2 VAL 72 -5.920 2.901 2.901 521 2HG2 VAL 72 2HG2 VAL 72 -7.394 2.996 2.996 522 3HG2 VAL 72 1HG2 VAL 72 -6.996 1.509 1.509 523 H ALA 73 H ALA 73 -2.554 2.011 2.011 524 HA ALA 73 HA ALA 73 -2.583 0.372 0.372 525 1HB ALA 73 2HB ALA 73 -1.915 2.970 2.970 526 2HB ALA 73 1HB ALA 73 -0.345 2.199 2.199 527 3HB ALA 73 3HB ALA 73 -1.544 2.200 2.200 528 H MET 74 H MET 74 -1.128 0.140 0.140 529 HA MET 74 HA MET 74 1.330 -1.159 -1.159 530 1HB MET 74 2HB MET 74 0.298 -1.182 -1.182 531 2HB MET 74 1HB MET 74 1.968 -1.167 -1.167 532 1HG MET 74 2HG MET 74 -0.008 1.094 1.094 533 2HG MET 74 1HG MET 74 1.646 1.040 1.040 534 1HE MET 74 1HE MET 74 3.148 -0.210 -0.210 535 2HE MET 74 3HE MET 74 2.823 -0.184 -0.184 536 3HE MET 74 2HE MET 74 3.879 1.028 1.028 537 H PHE 75 H PHE 75 -1.708 -2.141 -2.141 538 HA PHE 75 HA PHE 75 -0.940 -4.965 -4.965 539 1HB PHE 75 2HB PHE 75 -2.939 -5.241 -5.241 540 2HB PHE 75 1HB PHE 75 -2.626 -3.538 -3.538 541 HD1 PHE 75 HD1 PHE 75 -4.626 -5.926 -5.926 542 HD2 PHE 75 HD2 PHE 75 -3.935 -1.790 -1.790 543 HE1 PHE 75 HE1 PHE 75 -6.750 -5.326 -5.326 544 HE2 PHE 75 HE2 PHE 75 -6.052 -1.186 -1.186 545 HZ PHE 75 HZ PHE 75 -7.461 -2.958 -2.958 546 H LEU 76 H LEU 76 -2.516 -2.679 -2.679 547 HA LEU 76 HA LEU 76 -3.798 -4.546 -4.546 548 1HB LEU 76 2HB LEU 76 -3.119 -1.665 -1.665 549 2HB LEU 76 1HB LEU 76 -3.320 -2.282 -2.282 550 HG LEU 76 HG LEU 76 -5.334 -2.641 -2.641 551 1HD1 LEU 76 2HD1 LEU 76 -4.787 -0.336 -0.336 552 2HD1 LEU 76 1HD1 LEU 76 -6.156 -1.070 -1.070 553 3HD1 LEU 76 3HD1 LEU 76 -6.275 -0.676 -0.676 554 1HD2 LEU 76 2HD2 LEU 76 -4.990 -4.203 -4.203 555 2HD2 LEU 76 1HD2 LEU 76 -6.556 -3.921 -3.921 556 3HD2 LEU 76 3HD2 LEU 76 -6.073 -2.967 -2.967 557 H VAL 77 H VAL 77 -0.595 -3.153 -3.153 558 HA VAL 77 HA VAL 77 0.320 -4.256 -4.256 559 HB VAL 77 HB VAL 77 1.559 -2.630 -2.630 560 1HG1 VAL 77 2HG1 VAL 77 2.761 -3.608 -3.608 561 2HG1 VAL 77 1HG1 VAL 77 3.457 -2.307 -2.307 562 3HG1 VAL 77 3HG1 VAL 77 3.342 -3.936 -3.936 563 1HG2 VAL 77 1HG2 VAL 77 -0.185 -1.828 -1.828 564 2HG2 VAL 77 3HG2 VAL 77 1.078 -0.781 -0.781 565 3HG2 VAL 77 2HG2 VAL 77 1.333 -1.631 -1.631 566 H TYR 78 H TYR 78 0.265 -5.133 -5.133 567 HA TYR 78 HA TYR 78 2.506 -7.045 -7.045 568 1HB TYR 78 2HB TYR 78 0.944 -5.733 -5.733 569 2HB TYR 78 1HB TYR 78 1.229 -7.442 -7.442 570 HD1 TYR 78 HD2 TYR 78 3.802 -8.018 -8.018 571 HD2 TYR 78 HD1 TYR 78 2.493 -4.464 -4.464 572 HE1 TYR 78 HE2 TYR 78 6.150 -7.502 -7.502 573 HE2 TYR 78 HE1 TYR 78 4.840 -3.949 -3.949 574 HH TYR 78 HH TYR 78 7.422 -5.165 -5.165 575 H CYS 79 H CYS 79 -0.944 -6.960 -6.960 576 HA CYS 79 HA CYS 79 -1.283 -9.870 -9.870 577 1HB CYS 79 2HB CYS 79 -2.914 -7.426 -7.426 578 2HB CYS 79 1HB CYS 79 -3.623 -8.830 -8.830 579 HG CYS 79 HG CYS 79 -4.385 -9.307 -9.307 580 H ALA 80 H ALA 80 -0.548 -7.665 -7.665 581 HA ALA 80 HA ALA 80 -1.611 -9.368 -9.368 582 1HB ALA 80 3HB ALA 80 -0.242 -6.737 -6.737 583 2HB ALA 80 2HB ALA 80 -0.046 -7.543 -7.543 584 3HB ALA 80 1HB ALA 80 -1.659 -7.144 -7.144 585 H LEU 81 H LEU 81 1.173 -9.235 -9.235 586 HA LEU 81 HA LEU 81 3.004 -10.391 -10.391 587 1HB LEU 81 2HB LEU 81 3.400 -10.120 -10.120 588 2HB LEU 81 1HB LEU 81 4.625 -10.061 -10.061 589 HG LEU 81 HG LEU 81 2.651 -7.963 -7.963 590 1HD1 LEU 81 2HD1 LEU 81 5.469 -8.364 -8.364 591 2HD1 LEU 81 1HD1 LEU 81 5.173 -7.002 -7.002 592 3HD1 LEU 81 3HD1 LEU 81 4.545 -6.974 -6.974 593 1HD2 LEU 81 1HD2 LEU 81 3.619 -8.539 -8.539 594 2HD2 LEU 81 3HD2 LEU 81 2.104 -7.808 -7.808 595 3HD2 LEU 81 2HD2 LEU 81 3.586 -6.851 -6.851 596 H GLU 82 H GLU 82 1.336 -11.348 -11.348 597 HA GLU 82 HA GLU 82 2.315 -14.058 -14.058 598 1HB GLU 82 2HB GLU 82 1.517 -13.195 -13.195 599 2HB GLU 82 1HB GLU 82 0.068 -12.525 -12.525 600 1HG GLU 82 2HG GLU 82 -1.079 -14.452 -14.452 601 2HG GLU 82 1HG GLU 82 0.256 -15.419 -15.419 602 H LYS 83 H LYS 83 -0.838 -12.649 -12.649 603 HA LYS 83 HA LYS 83 -1.133 -14.260 -14.260 604 1HB LYS 83 2HB LYS 83 -1.260 -15.735 -15.735 605 2HB LYS 83 1HB LYS 83 -2.963 -15.428 -15.428 606 1HG LYS 83 2HG LYS 83 -2.823 -16.425 -16.425 607 2HG LYS 83 1HG LYS 83 -1.060 -16.412 -16.412 608 1HD LYS 83 2HD LYS 83 -1.395 -17.906 -17.906 609 2HD LYS 83 1HD LYS 83 -2.964 -18.242 -18.242 610 1HE LYS 83 2HE LYS 83 -1.645 -19.925 -19.925 611 2HE LYS 83 1HE LYS 83 -1.484 -18.642 -18.642 612 1HZ LYS 83 1HZ LYS 83 0.447 -17.820 -17.820 613 2HZ LYS 83 3HZ LYS 83 0.375 -19.268 -19.268 614 3HZ LYS 83 2HZ LYS 83 0.705 -19.303 -19.303 615 H GLU 84 H GLU 84 -2.677 -12.478 -12.478 616 HA GLU 84 HA GLU 84 -5.257 -12.227 -12.227 617 1HB GLU 84 2HB GLU 84 -3.879 -10.942 -10.942 618 2HB GLU 84 1HB GLU 84 -5.493 -10.446 -10.446 619 1HG GLU 84 2HG GLU 84 -4.862 -13.358 -13.358 620 2HG GLU 84 1HG GLU 84 -5.287 -12.318 -12.318 621 HA PRO 85 HA PRO 85 -3.641 -8.983 -8.983 622 1HB PRO 85 2HB PRO 85 -5.863 -8.886 -8.886 623 2HB PRO 85 1HB PRO 85 -4.592 -10.112 -10.112 624 1HG PRO 85 2HG PRO 85 -7.251 -10.326 -10.326 625 2HG PRO 85 1HG PRO 85 -6.394 -11.503 -11.503 626 1HD PRO 85 2HD PRO 85 -6.489 -11.653 -11.653 627 2HD PRO 85 1HD PRO 85 -5.136 -12.284 -12.284 628 H VAL 86 H VAL 86 -5.274 -7.019 -7.019 629 HA VAL 86 HA VAL 86 -6.718 -5.943 -5.943 630 HB VAL 86 HB VAL 86 -4.719 -4.646 -4.646 631 1HG1 VAL 86 2HG1 VAL 86 -6.772 -3.471 -3.471 632 2HG1 VAL 86 1HG1 VAL 86 -5.193 -2.689 -2.689 633 3HG1 VAL 86 3HG1 VAL 86 -6.180 -2.871 -2.871 634 1HG2 VAL 86 1HG2 VAL 86 -4.505 -5.958 -5.958 635 2HG2 VAL 86 3HG2 VAL 86 -3.250 -5.066 -5.066 636 3HG2 VAL 86 2HG2 VAL 86 -4.283 -4.235 -4.235 637 HA PRO 87 HA PRO 87 -9.738 -5.153 -5.153 638 1HB PRO 87 2HB PRO 87 -11.707 -4.303 -4.303 639 2HB PRO 87 1HB PRO 87 -11.271 -6.012 -6.012 640 1HG PRO 87 2HG PRO 87 -10.777 -4.194 -4.194 641 2HG PRO 87 1HG PRO 87 -10.770 -5.960 -5.960 642 1HD PRO 87 2HD PRO 87 -8.530 -4.174 -4.174 643 2HD PRO 87 1HD PRO 87 -8.516 -5.951 -5.951 644 H MET 88 H MET 88 -11.536 -3.054 -3.054 645 HA MET 88 HA MET 88 -9.785 -0.635 -0.635 646 1HB MET 88 2HB MET 88 -11.742 -0.172 -0.172 647 2HB MET 88 1HB MET 88 -10.002 -0.285 -0.285 648 1HG MET 88 2HG MET 88 -10.798 -1.939 -1.939 649 2HG MET 88 1HG MET 88 -10.454 -2.885 -2.885 650 1HE MET 88 2HE MET 88 -12.860 -1.191 -1.191 651 2HE MET 88 1HE MET 88 -12.823 -2.897 -2.897 652 3HE MET 88 3HE MET 88 -14.325 -2.160 -2.160 653 H SER 89 H SER 89 -12.316 -2.064 -2.064 654 HA SER 89 HA SER 89 -13.936 0.454 0.454 655 1HB SER 89 2HB SER 89 -14.613 -2.459 -2.459 656 2HB SER 89 1HB SER 89 -15.734 -1.156 -1.156 657 HG SER 89 HG SER 89 -16.184 -1.301 -1.301 658 H LEU 90 H LEU 90 -12.832 1.379 1.379 659 HA LEU 90 HA LEU 90 -12.045 0.143 0.143 660 1HB LEU 90 2HB LEU 90 -12.238 2.723 2.723 661 2HB LEU 90 1HB LEU 90 -13.095 2.814 2.814 662 HG LEU 90 HG LEU 90 -10.282 1.756 1.756 663 1HD1 LEU 90 2HD1 LEU 90 -11.130 4.385 4.385 664 2HD1 LEU 90 1HD1 LEU 90 -10.744 4.069 4.069 665 3HD1 LEU 90 3HD1 LEU 90 -9.517 3.832 3.832 666 1HD2 LEU 90 2HD2 LEU 90 -11.798 0.770 0.770 667 2HD2 LEU 90 1HD2 LEU 90 -10.220 1.393 1.393 668 3HD2 LEU 90 3HD2 LEU 90 -11.669 2.359 2.359 669 HA PRO 91 HA PRO 91 -16.305 -0.607 -0.607 670 1HB PRO 91 2HB PRO 91 -15.733 -2.703 -2.703 671 2HB PRO 91 1HB PRO 91 -15.903 -2.872 -2.872 672 1HG PRO 91 2HG PRO 91 -13.489 -2.916 -2.916 673 2HG PRO 91 1HG PRO 91 -13.777 -3.628 -3.628 674 1HD PRO 91 2HD PRO 91 -12.362 -1.242 -1.242 675 2HD PRO 91 1HD PRO 91 -12.821 -1.864 -1.864 676 HA PRO 92 HA PRO 92 -16.475 1.361 1.361 677 1HB PRO 92 2HB PRO 92 -18.320 -0.093 -0.093 678 2HB PRO 92 1HB PRO 92 -18.750 0.972 0.972 679 1HG PRO 92 2HG PRO 92 -18.414 -1.986 -1.986 680 2HG PRO 92 1HG PRO 92 -19.624 -1.003 -1.003 681 1HD PRO 92 2HD PRO 92 -17.468 -2.077 -2.077 682 2HD PRO 92 1HD PRO 92 -18.229 -0.556 -0.556 683 H ALA 93 H ALA 93 -15.276 -1.790 -1.790 684 HA ALA 93 HA ALA 93 -14.831 -2.195 -2.195 685 1HB ALA 93 1HB ALA 93 -15.099 -3.824 -3.824 686 2HB ALA 93 3HB ALA 93 -13.339 -3.719 -3.719 687 3HB ALA 93 2HB ALA 93 -14.246 -4.314 -4.314 688 H LEU 94 H LEU 94 -13.468 -0.172 -0.172 689 HA LEU 94 HA LEU 94 -10.881 -0.160 -0.160 690 1HB LEU 94 2HB LEU 94 -11.290 0.018 0.018 691 2HB LEU 94 1HB LEU 94 -9.735 0.111 0.111 692 HG LEU 94 HG LEU 94 -10.996 -2.210 -2.210 693 1HD1 LEU 94 1HD1 LEU 94 -12.316 -1.720 -1.720 694 2HD1 LEU 94 3HD1 LEU 94 -10.888 -2.477 -2.477 695 3HD1 LEU 94 2HD1 LEU 94 -11.868 -3.361 -3.361 696 1HD2 LEU 94 1HD2 LEU 94 -8.817 -1.809 -1.809 697 2HD2 LEU 94 3HD2 LEU 94 -8.582 -1.892 -1.892 698 3HD2 LEU 94 2HD2 LEU 94 -9.118 -3.320 -3.320 699 H VAL 95 H VAL 95 -13.311 1.634 1.634 700 HA VAL 95 HA VAL 95 -12.124 4.131 4.131 701 HB VAL 95 HB VAL 95 -14.934 3.702 3.702 702 1HG1 VAL 95 2HG1 VAL 95 -13.540 5.663 5.663 703 2HG1 VAL 95 1HG1 VAL 95 -15.292 5.454 5.454 704 3HG1 VAL 95 3HG1 VAL 95 -14.509 5.998 5.998 705 1HG2 VAL 95 3HG2 VAL 95 -13.737 3.044 3.044 706 2HG2 VAL 95 2HG2 VAL 95 -14.633 1.967 1.967 707 3HG2 VAL 95 1HG2 VAL 95 -15.467 3.283 3.283 708 HA PRO 96 HA PRO 96 -11.214 5.001 5.001 709 1HB PRO 96 2HB PRO 96 -9.839 7.317 7.317 710 2HB PRO 96 1HB PRO 96 -9.118 5.704 5.704 711 1HG PRO 96 2HG PRO 96 -10.251 7.512 7.512 712 2HG PRO 96 1HG PRO 96 -8.794 6.505 6.505 713 1HD PRO 96 2HD PRO 96 -11.113 5.779 5.779 714 2HD PRO 96 1HD PRO 96 -9.967 4.595 4.595 715 HA PRO 97 HA PRO 97 -14.192 8.076 8.076 716 1HB PRO 97 2HB PRO 97 -12.974 9.660 9.660 717 2HB PRO 97 1HB PRO 97 -13.509 8.001 8.001 718 1HG PRO 97 2HG PRO 97 -10.783 9.023 9.023 719 2HG PRO 97 1HG PRO 97 -11.291 7.767 7.767 720 1HD PRO 97 2HD PRO 97 -10.199 7.232 7.232 721 2HD PRO 97 1HD PRO 97 -11.322 6.138 6.138 722 H SER 98 H SER 98 -11.403 8.961 8.961 723 HA SER 98 HA SER 98 -11.822 11.858 11.858 724 1HB SER 98 2HB SER 98 -9.666 10.432 10.432 725 2HB SER 98 1HB SER 98 -10.273 10.210 10.210 726 HG SER 98 HG SER 98 -10.261 12.793 12.793 727 H LYS 99 H LYS 99 -12.956 9.088 9.088 728 HA LYS 99 HA LYS 99 -13.971 10.723 10.723 729 1HB LYS 99 2HB LYS 99 -12.947 8.337 8.337 730 2HB LYS 99 1HB LYS 99 -14.510 7.809 7.809 731 1HG LYS 99 2HG LYS 99 -15.200 7.742 7.742 732 2HG LYS 99 1HG LYS 99 -15.184 9.506 9.506 733 1HD LYS 99 2HD LYS 99 -13.069 9.644 9.644 734 2HD LYS 99 1HD LYS 99 -12.653 7.985 7.985 735 1HE LYS 99 2HE LYS 99 -14.645 7.321 7.321 736 2HE LYS 99 1HE LYS 99 -14.454 8.958 8.958 737 1HZ LYS 99 3HZ LYS 99 -11.918 8.217 8.217 738 2HZ LYS 99 2HZ LYS 99 -12.623 6.693 6.693 739 3HZ LYS 99 1HZ LYS 99 -12.863 7.942 7.942 740 H ARG 100 H ARG 100 -14.937 10.322 10.322 741 HA ARG 100 HA ARG 100 -17.674 9.510 9.510 742 1HB ARG 100 2HB ARG 100 -16.239 11.481 11.481 743 2HB ARG 100 1HB ARG 100 -17.797 10.733 10.733 744 1HG ARG 100 2HG ARG 100 -15.593 8.880 8.880 745 2HG ARG 100 1HG ARG 100 -15.448 9.684 9.684 746 1HD ARG 100 2HD ARG 100 -16.889 8.146 8.146 747 2HD ARG 100 1HD ARG 100 -18.150 8.853 8.853 748 HE ARG 100 HE ARG 100 -17.380 7.288 7.288 749 1HH1 ARG 100 1HH2 ARG 100 -17.872 6.219 6.219 750 2HH1 ARG 100 2HH2 ARG 100 -16.948 4.760 4.760 751 1HH2 ARG 100 2HH1 ARG 100 -15.570 5.615 5.615 752 2HH2 ARG 100 1HH1 ARG 100 -15.646 4.418 4.418 Start of MODEL 8 1 HA PRO 6 HA PRO 6 -14.281 -2.436 -2.436 2 1HB PRO 6 2HB PRO 6 -11.878 -3.676 -3.676 3 2HB PRO 6 1HB PRO 6 -13.264 -3.848 -3.848 4 1HG PRO 6 2HG PRO 6 -12.276 -5.708 -5.708 5 2HG PRO 6 1HG PRO 6 -12.925 -6.066 -6.066 6 1HD PRO 6 2HD PRO 6 -14.375 -6.332 -6.332 7 2HD PRO 6 1HD PRO 6 -15.101 -5.961 -5.961 8 H TRP 7 H TRP 7 -11.668 -1.847 -1.847 9 HA TRP 7 HA TRP 7 -11.681 -1.094 -1.094 10 1HB TRP 7 2HB TRP 7 -10.721 0.212 0.212 11 2HB TRP 7 1HB TRP 7 -9.463 -1.015 -1.015 12 HD1 TRP 7 HD1 TRP 7 -10.591 -0.301 -0.301 13 HE1 TRP 7 HE1 TRP 7 -8.767 0.997 0.997 14 HE3 TRP 7 HE3 TRP 7 -7.497 0.865 0.865 15 HZ2 TRP 7 HZ2 TRP 7 -6.311 2.364 2.364 16 HZ3 TRP 7 HZ3 TRP 7 -5.423 2.165 2.165 17 HH2 TRP 7 HH2 TRP 7 -4.827 2.916 2.916 18 H ALA 8 H ALA 8 -10.933 -2.312 -2.312 19 HA ALA 8 HA ALA 8 -10.070 -4.954 -4.954 20 1HB ALA 8 3HB ALA 8 -9.407 -2.676 -2.676 21 2HB ALA 8 2HB ALA 8 -9.029 -4.361 -4.361 22 3HB ALA 8 1HB ALA 8 -10.711 -3.858 -3.858 23 H VAL 9 H VAL 9 -8.228 -2.052 -2.052 24 HA VAL 9 HA VAL 9 -5.640 -3.488 -3.488 25 HB VAL 9 HB VAL 9 -6.538 -0.668 -0.668 26 1HG1 VAL 9 3HG1 VAL 9 -4.179 -1.957 -1.957 27 2HG1 VAL 9 2HG1 VAL 9 -3.704 -0.917 -0.917 28 3HG1 VAL 9 1HG1 VAL 9 -4.539 -0.232 -0.232 29 1HG2 VAL 9 2HG2 VAL 9 -6.598 -1.395 -1.395 30 2HG2 VAL 9 1HG2 VAL 9 -5.382 -0.146 -0.146 31 3HG2 VAL 9 3HG2 VAL 9 -4.891 -1.832 -1.832 32 H LYS 10 H LYS 10 -4.410 -3.947 -3.947 33 HA LYS 10 HA LYS 10 -5.972 -4.051 -4.051 34 1HB LYS 10 2HB LYS 10 -3.464 -5.387 -5.387 35 2HB LYS 10 1HB LYS 10 -4.064 -5.638 -5.638 36 1HG LYS 10 2HG LYS 10 -6.251 -6.385 -6.385 37 2HG LYS 10 1HG LYS 10 -5.532 -6.263 -6.263 38 1HD LYS 10 2HD LYS 10 -3.705 -7.832 -7.832 39 2HD LYS 10 1HD LYS 10 -4.722 -8.114 -8.114 40 1HE LYS 10 2HE LYS 10 -6.142 -9.460 -9.460 41 2HE LYS 10 1HE LYS 10 -6.179 -8.349 -8.349 42 1HZ LYS 10 2HZ LYS 10 -3.821 -10.017 -10.017 43 2HZ LYS 10 1HZ LYS 10 -5.015 -10.518 -10.518 44 3HZ LYS 10 3HZ LYS 10 -4.090 -9.135 -9.135 45 HA PRO 11 HA PRO 11 -3.494 -1.021 -1.021 46 1HB PRO 11 2HB PRO 11 -2.878 -2.198 -2.198 47 2HB PRO 11 1HB PRO 11 -4.492 -1.560 -1.560 48 1HG PRO 11 2HG PRO 11 -3.495 -4.370 -4.370 49 2HG PRO 11 1HG PRO 11 -5.044 -3.745 -3.745 50 1HD PRO 11 2HD PRO 11 -4.791 -4.908 -4.908 51 2HD PRO 11 1HD PRO 11 -5.939 -3.585 -3.585 52 H GLU 12 H GLU 12 -2.211 -4.313 -4.313 53 HA GLU 12 HA GLU 12 0.560 -3.520 -3.520 54 1HB GLU 12 2HB GLU 12 0.942 -5.916 -5.916 55 2HB GLU 12 1HB GLU 12 -0.349 -5.724 -5.724 56 1HG GLU 12 2HG GLU 12 -1.916 -6.543 -6.543 57 2HG GLU 12 1HG GLU 12 -1.302 -5.595 -5.595 58 H ASP 13 H ASP 13 -1.560 -3.830 -3.830 59 HA ASP 13 HA ASP 13 0.590 -3.912 -3.912 60 1HB ASP 13 2HB ASP 13 -2.373 -3.954 -3.954 61 2HB ASP 13 1HB ASP 13 -1.705 -3.221 -3.221 62 H LYS 14 H LYS 14 -1.636 -1.544 -1.544 63 HA LYS 14 HA LYS 14 -0.907 0.676 0.676 64 1HB LYS 14 2HB LYS 14 -2.928 0.657 0.657 65 2HB LYS 14 1HB LYS 14 -1.988 0.435 0.435 66 1HG LYS 14 2HG LYS 14 -2.615 2.773 2.773 67 2HG LYS 14 1HG LYS 14 -0.879 2.641 2.641 68 1HD LYS 14 2HD LYS 14 -1.125 2.941 2.941 69 2HD LYS 14 1HD LYS 14 -2.855 2.602 2.602 70 1HE LYS 14 2HE LYS 14 -2.523 5.020 5.020 71 2HE LYS 14 1HE LYS 14 -3.149 4.700 4.700 72 1HZ LYS 14 1HZ LYS 14 -0.268 4.512 4.512 73 2HZ LYS 14 3HZ LYS 14 -0.911 6.075 6.075 74 3HZ LYS 14 2HZ LYS 14 -1.179 5.170 5.170 75 H ALA 15 H ALA 15 0.649 -0.963 -0.963 76 HA ALA 15 HA ALA 15 2.386 1.209 1.209 77 1HB ALA 15 1HB ALA 15 2.467 -1.819 -1.819 78 2HB ALA 15 3HB ALA 15 3.569 -0.732 -0.732 79 3HB ALA 15 2HB ALA 15 1.842 -0.681 -0.681 80 H LYS 16 H LYS 16 2.700 -1.620 -1.620 81 HA LYS 16 HA LYS 16 5.405 -0.900 -0.900 82 1HB LYS 16 2HB LYS 16 5.326 -2.975 -2.975 83 2HB LYS 16 1HB LYS 16 3.970 -3.181 -3.181 84 1HG LYS 16 2HG LYS 16 2.409 -2.500 -2.500 85 2HG LYS 16 1HG LYS 16 3.760 -2.241 -2.241 86 1HD LYS 16 2HD LYS 16 3.302 -4.396 -4.396 87 2HD LYS 16 1HD LYS 16 4.290 -4.779 -4.779 88 1HE LYS 16 2HE LYS 16 2.229 -4.878 -4.878 89 2HE LYS 16 1HE LYS 16 1.257 -4.583 -4.583 90 1HZ LYS 16 3HZ LYS 16 2.843 -6.507 -6.507 91 2HZ LYS 16 2HZ LYS 16 2.791 -6.945 -6.945 92 3HZ LYS 16 1HZ LYS 16 1.352 -6.828 -6.828 93 H TYR 17 H TYR 17 2.181 -0.046 -0.046 94 HA TYR 17 HA TYR 17 2.761 0.872 0.872 95 1HB TYR 17 2HB TYR 17 0.481 1.251 1.251 96 2HB TYR 17 1HB TYR 17 0.451 1.892 1.892 97 HD1 TYR 17 HD1 TYR 17 2.288 -1.160 -1.160 98 HD2 TYR 17 HD2 TYR 17 -1.702 0.412 0.412 99 HE1 TYR 17 HE1 TYR 17 1.465 -3.347 -3.347 100 HE2 TYR 17 HE2 TYR 17 -2.532 -1.774 -1.774 101 HH TYR 17 HH TYR 17 -0.489 -4.193 -4.193 102 H ASP 18 H ASP 18 2.585 2.154 2.154 103 HA ASP 18 HA ASP 18 2.861 4.963 4.963 104 1HB ASP 18 2HB ASP 18 1.669 4.279 4.279 105 2HB ASP 18 1HB ASP 18 3.108 3.457 3.457 106 H ALA 19 H ALA 19 5.006 2.337 2.337 107 HA ALA 19 HA ALA 19 7.354 4.048 4.048 108 1HB ALA 19 3HB ALA 19 6.888 1.684 1.684 109 2HB ALA 19 2HB ALA 19 7.263 1.096 1.096 110 3HB ALA 19 1HB ALA 19 8.492 1.947 1.947 111 H ILE 20 H ILE 20 5.763 2.289 2.289 112 HA ILE 20 HA ILE 20 7.851 2.705 2.705 113 HB ILE 20 HB ILE 20 4.977 1.738 1.738 114 1HG1 ILE 20 2HG1 ILE 20 7.479 0.206 0.206 115 2HG1 ILE 20 1HG1 ILE 20 6.923 0.344 0.344 116 1HG2 ILE 20 1HG2 ILE 20 5.438 2.832 2.832 117 2HG2 ILE 20 3HG2 ILE 20 6.869 1.825 1.825 118 3HG2 ILE 20 2HG2 ILE 20 5.267 1.089 1.089 119 1HD1 ILE 20 1HD1 ILE 20 4.694 -0.548 -0.548 120 2HD1 ILE 20 3HD1 ILE 20 5.371 -0.815 -0.815 121 3HD1 ILE 20 2HD1 ILE 20 6.011 -1.701 -1.701 122 H PHE 21 H PHE 21 4.845 4.157 4.157 123 HA PHE 21 HA PHE 21 4.534 6.057 6.057 124 1HB PHE 21 2HB PHE 21 2.560 5.719 5.719 125 2HB PHE 21 1HB PHE 21 3.392 5.449 5.449 126 HD1 PHE 21 HD2 PHE 21 4.433 7.466 7.466 127 HD2 PHE 21 HD1 PHE 21 1.605 7.828 7.828 128 HE1 PHE 21 HE2 PHE 21 3.952 9.796 9.796 129 HE2 PHE 21 HE1 PHE 21 1.123 10.162 10.162 130 HZ PHE 21 HZ PHE 21 2.299 11.143 11.143 131 H ASP 22 H ASP 22 6.036 6.091 6.091 132 HA ASP 22 HA ASP 22 6.919 8.893 8.893 133 1HB ASP 22 2HB ASP 22 6.134 8.114 8.114 134 2HB ASP 22 1HB ASP 22 7.247 6.743 6.743 135 H SER 23 H SER 23 7.956 6.001 6.001 136 HA SER 23 HA SER 23 10.863 6.475 6.475 137 1HB SER 23 2HB SER 23 9.051 4.292 4.292 138 2HB SER 23 1HB SER 23 10.651 4.332 4.332 139 HG SER 23 HG SER 23 9.962 3.451 3.451 140 H LEU 24 H LEU 24 8.458 7.630 7.630 141 HA LEU 24 HA LEU 24 10.155 7.872 7.872 142 1HB LEU 24 2HB LEU 24 7.313 8.724 8.724 143 2HB LEU 24 1HB LEU 24 8.184 7.750 7.750 144 HG LEU 24 HG LEU 24 7.239 6.734 6.734 145 1HD1 LEU 24 2HD1 LEU 24 5.663 7.355 7.355 146 2HD1 LEU 24 1HD1 LEU 24 5.980 5.631 5.631 147 3HD1 LEU 24 3HD1 LEU 24 5.235 6.231 6.231 148 1HD2 LEU 24 1HD2 LEU 24 8.882 5.671 5.671 149 2HD2 LEU 24 3HD2 LEU 24 8.763 5.130 5.130 150 3HD2 LEU 24 2HD2 LEU 24 7.567 4.603 4.603 151 H SER 25 H SER 25 9.184 9.475 9.475 152 HA SER 25 HA SER 25 9.644 11.711 11.711 153 1HB SER 25 2HB SER 25 10.907 13.019 13.019 154 2HB SER 25 1HB SER 25 11.118 11.484 11.484 155 HG SER 25 HG SER 25 10.190 12.422 12.422 156 HA PRO 26 HA PRO 26 5.254 12.192 12.192 157 1HB PRO 26 2HB PRO 26 4.466 12.754 12.754 158 2HB PRO 26 1HB PRO 26 4.674 11.097 11.097 159 1HG PRO 26 2HG PRO 26 6.508 12.751 12.751 160 2HG PRO 26 1HG PRO 26 6.122 11.027 11.027 161 1HD PRO 26 2HD PRO 26 8.409 11.961 11.961 162 2HD PRO 26 1HD PRO 26 7.629 10.439 10.439 163 H VAL 27 H VAL 27 4.118 14.115 14.115 164 HA VAL 27 HA VAL 27 5.509 16.619 16.619 165 HB VAL 27 HB VAL 27 3.823 16.001 16.001 166 1HG1 VAL 27 2HG1 VAL 27 4.201 18.457 18.457 167 2HG1 VAL 27 1HG1 VAL 27 5.437 18.440 18.440 168 3HG1 VAL 27 3HG1 VAL 27 3.740 18.218 18.218 169 1HG2 VAL 27 2HG2 VAL 27 6.795 16.432 16.432 170 2HG2 VAL 27 1HG2 VAL 27 6.006 14.968 14.968 171 3HG2 VAL 27 3HG2 VAL 27 6.026 16.420 16.420 172 H ASN 28 H ASN 28 4.307 17.208 17.208 173 HA ASN 28 HA ASN 28 2.428 17.903 17.903 174 1HB ASN 28 2HB ASN 28 2.195 19.483 19.483 175 2HB ASN 28 1HB ASN 28 1.470 18.252 18.252 176 1HD2 ASN 28 1HD2 ASN 28 -0.791 17.999 17.999 177 2HD2 ASN 28 2HD2 ASN 28 -1.775 18.756 18.756 178 H GLY 29 H GLY 29 2.760 15.027 15.027 179 1HA GLY 29 2HA GLY 29 1.495 13.108 13.108 180 2HA GLY 29 1HA GLY 29 0.061 14.128 14.128 181 H PHE 30 H PHE 30 2.264 13.897 13.897 182 HA PHE 30 HA PHE 30 0.213 12.411 12.411 183 1HB PHE 30 2HB PHE 30 1.165 15.237 15.237 184 2HB PHE 30 1HB PHE 30 0.317 14.277 14.277 185 HD1 PHE 30 HD2 PHE 30 -1.985 13.487 13.487 186 HD2 PHE 30 HD1 PHE 30 0.018 16.136 16.136 187 HE1 PHE 30 HE2 PHE 30 -4.162 14.048 14.048 188 HE2 PHE 30 HE1 PHE 30 -2.144 16.696 16.696 189 HZ PHE 30 HZ PHE 30 -4.242 15.655 15.655 190 H LEU 31 H LEU 31 1.020 11.613 11.613 191 HA LEU 31 HA LEU 31 3.995 11.797 11.797 192 1HB LEU 31 2HB LEU 31 2.144 9.393 9.393 193 2HB LEU 31 1HB LEU 31 3.787 9.360 9.360 194 HG LEU 31 HG LEU 31 3.177 10.220 10.220 195 1HD1 LEU 31 1HD1 LEU 31 3.687 7.484 7.484 196 2HD1 LEU 31 3HD1 LEU 31 4.116 7.858 7.858 197 3HD1 LEU 31 2HD1 LEU 31 2.437 7.972 7.972 198 1HD2 LEU 31 3HD2 LEU 31 5.628 9.523 9.523 199 2HD2 LEU 31 2HD2 LEU 31 5.328 10.959 10.959 200 3HD2 LEU 31 1HD2 LEU 31 5.648 9.406 9.406 201 H SER 32 H SER 32 4.565 12.230 12.230 202 HA SER 32 HA SER 32 2.450 12.839 12.839 203 1HB SER 32 2HB SER 32 4.188 13.896 13.896 204 2HB SER 32 1HB SER 32 4.740 13.993 13.993 205 HG SER 32 HG SER 32 5.690 12.491 12.491 206 H GLY 33 H GLY 33 1.945 11.704 11.704 207 1HA GLY 33 2HA GLY 33 2.288 8.922 8.922 208 2HA GLY 33 1HA GLY 33 1.939 9.934 9.934 209 H ASP 34 H ASP 34 4.492 11.485 11.485 210 HA ASP 34 HA ASP 34 6.284 9.778 9.778 211 1HB ASP 34 2HB ASP 34 5.852 12.293 12.293 212 2HB ASP 34 1HB ASP 34 6.802 12.491 12.491 213 H LYS 35 H LYS 35 5.629 10.277 10.277 214 HA LYS 35 HA LYS 35 8.374 9.645 9.645 215 1HB LYS 35 2HB LYS 35 7.129 11.436 11.436 216 2HB LYS 35 1HB LYS 35 5.718 10.400 10.400 217 1HG LYS 35 2HG LYS 35 6.816 9.025 9.025 218 2HG LYS 35 1HG LYS 35 8.384 9.760 9.760 219 1HD LYS 35 2HD LYS 35 5.984 11.136 11.136 220 2HD LYS 35 1HD LYS 35 7.494 10.728 10.728 221 1HE LYS 35 2HE LYS 35 8.273 12.764 12.764 222 2HE LYS 35 1HE LYS 35 8.244 12.184 12.184 223 1HZ LYS 35 1HZ LYS 35 5.707 12.974 12.974 224 2HZ LYS 35 3HZ LYS 35 6.765 14.212 14.212 225 3HZ LYS 35 2HZ LYS 35 6.207 13.093 13.093 226 H VAL 36 H VAL 36 5.048 8.506 8.506 227 HA VAL 36 HA VAL 36 5.644 5.966 5.966 228 HB VAL 36 HB VAL 36 3.251 7.091 7.091 229 1HG1 VAL 36 2HG1 VAL 36 3.540 4.659 4.659 230 2HG1 VAL 36 1HG1 VAL 36 1.991 5.341 5.341 231 3HG1 VAL 36 3HG1 VAL 36 3.088 4.673 4.673 232 1HG2 VAL 36 1HG2 VAL 36 4.142 7.107 7.107 233 2HG2 VAL 36 3HG2 VAL 36 3.662 8.472 8.472 234 3HG2 VAL 36 2HG2 VAL 36 2.448 7.324 7.324 235 H LYS 37 H LYS 37 5.167 7.111 7.111 236 HA LYS 37 HA LYS 37 4.650 4.878 4.878 237 1HB LYS 37 2HB LYS 37 6.103 7.368 7.368 238 2HB LYS 37 1HB LYS 37 6.846 6.099 6.099 239 1HG LYS 37 2HG LYS 37 4.446 5.536 5.536 240 2HG LYS 37 1HG LYS 37 4.007 7.113 7.113 241 1HD LYS 37 2HD LYS 37 4.801 8.120 8.120 242 2HD LYS 37 1HD LYS 37 6.390 7.410 7.410 243 1HE LYS 37 2HE LYS 37 5.261 5.235 5.235 244 2HE LYS 37 1HE LYS 37 4.167 6.420 6.420 245 1HZ LYS 37 2HZ LYS 37 6.401 7.673 7.673 246 2HZ LYS 37 1HZ LYS 37 7.069 6.114 6.114 247 3HZ LYS 37 3HZ LYS 37 5.886 6.449 6.449 248 HA PRO 38 HA PRO 38 9.246 3.405 3.405 249 1HB PRO 38 2HB PRO 38 10.743 4.403 4.403 250 2HB PRO 38 1HB PRO 38 10.725 5.122 5.122 251 1HG PRO 38 2HG PRO 38 9.218 5.930 5.930 252 2HG PRO 38 1HG PRO 38 10.063 6.942 6.942 253 1HD PRO 38 2HD PRO 38 7.405 6.669 6.669 254 2HD PRO 38 1HD PRO 38 8.347 6.787 6.787 255 H VAL 39 H VAL 39 7.483 4.208 4.208 256 HA VAL 39 HA VAL 39 8.362 1.870 1.870 257 HB VAL 39 HB VAL 39 6.360 4.112 4.112 258 1HG1 VAL 39 3HG1 VAL 39 6.276 1.500 1.500 259 2HG1 VAL 39 2HG1 VAL 39 6.189 2.902 2.902 260 3HG1 VAL 39 1HG1 VAL 39 5.003 2.698 2.698 261 1HG2 VAL 39 2HG2 VAL 39 8.996 3.902 3.902 262 2HG2 VAL 39 1HG2 VAL 39 7.860 4.986 4.986 263 3HG2 VAL 39 3HG2 VAL 39 8.234 3.413 3.413 264 H LEU 40 H LEU 40 6.069 2.417 2.417 265 HA LEU 40 HA LEU 40 4.381 0.115 0.115 266 1HB LEU 40 2HB LEU 40 4.195 2.277 2.277 267 2HB LEU 40 1HB LEU 40 3.058 0.929 0.929 268 HG LEU 40 HG LEU 40 3.614 2.829 2.829 269 1HD1 LEU 40 3HD1 LEU 40 1.328 2.663 2.663 270 2HD1 LEU 40 2HD1 LEU 40 1.270 3.609 3.609 271 3HD1 LEU 40 1HD1 LEU 40 2.437 4.016 4.016 272 1HD2 LEU 40 2HD2 LEU 40 1.598 0.601 0.601 273 2HD2 LEU 40 1HD2 LEU 40 2.918 0.634 0.634 274 3HD2 LEU 40 3HD2 LEU 40 1.563 1.749 1.749 275 H LEU 41 H LEU 41 6.986 0.958 0.958 276 HA LEU 41 HA LEU 41 6.551 -1.268 -1.268 277 1HB LEU 41 2HB LEU 41 8.685 0.839 0.839 278 2HB LEU 41 1HB LEU 41 8.740 -0.360 -0.360 279 HG LEU 41 HG LEU 41 6.144 0.966 0.966 280 1HD1 LEU 41 1HD1 LEU 41 8.152 2.663 2.663 281 2HD1 LEU 41 3HD1 LEU 41 8.218 2.762 2.762 282 3HD1 LEU 41 2HD1 LEU 41 6.724 3.158 3.158 283 1HD2 LEU 41 3HD2 LEU 41 7.660 -0.391 -0.391 284 2HD2 LEU 41 2HD2 LEU 41 6.206 0.541 0.541 285 3HD2 LEU 41 1HD2 LEU 41 7.798 1.282 1.282 286 H ASN 42 H ASN 42 8.574 -0.464 -0.464 287 HA ASN 42 HA ASN 42 10.388 -2.683 -2.683 288 1HB ASN 42 2HB ASN 42 11.088 -2.073 -2.073 289 2HB ASN 42 1HB ASN 42 10.591 -0.566 -0.566 290 1HD2 ASN 42 1HD2 ASN 42 8.459 0.299 0.299 291 2HD2 ASN 42 2HD2 ASN 42 7.721 -0.136 -0.136 292 H SER 43 H SER 43 7.084 -2.562 -2.562 293 HA SER 43 HA SER 43 6.868 -4.814 -4.814 294 1HB SER 43 2HB SER 43 4.891 -3.457 -3.457 295 2HB SER 43 1HB SER 43 4.474 -4.532 -4.532 296 HG SER 43 HG SER 43 4.810 -1.959 -1.959 297 H LYS 44 H LYS 44 8.004 -4.769 -4.769 298 HA LYS 44 HA LYS 44 8.249 -6.463 -6.463 299 1HB LYS 44 2HB LYS 44 7.568 -7.701 -7.701 300 2HB LYS 44 1HB LYS 44 6.791 -8.588 -8.588 301 1HG LYS 44 2HG LYS 44 9.671 -7.778 -7.778 302 2HG LYS 44 1HG LYS 44 9.252 -9.200 -9.200 303 1HD LYS 44 2HD LYS 44 8.943 -10.417 -10.417 304 2HD LYS 44 1HD LYS 44 7.782 -9.239 -9.239 305 1HE LYS 44 2HE LYS 44 9.938 -7.830 -7.830 306 2HE LYS 44 1HE LYS 44 10.742 -9.410 -9.410 307 1HZ LYS 44 3HZ LYS 44 8.991 -10.280 -10.280 308 2HZ LYS 44 2HZ LYS 44 8.346 -8.715 -8.715 309 3HZ LYS 44 1HZ LYS 44 9.899 -9.055 -9.055 310 H LEU 45 H LEU 45 5.646 -4.790 -4.790 311 HA LEU 45 HA LEU 45 3.679 -6.458 -6.458 312 1HB LEU 45 2HB LEU 45 3.656 -4.032 -4.032 313 2HB LEU 45 1HB LEU 45 2.320 -4.274 -4.274 314 HG LEU 45 HG LEU 45 3.270 -6.356 -6.356 315 1HD1 LEU 45 2HD1 LEU 45 1.959 -4.016 -4.016 316 2HD1 LEU 45 1HD1 LEU 45 0.616 -5.125 -5.125 317 3HD1 LEU 45 3HD1 LEU 45 1.841 -5.504 -5.504 318 1HD2 LEU 45 1HD2 LEU 45 1.904 -6.771 -6.771 319 2HD2 LEU 45 3HD2 LEU 45 1.621 -7.718 -7.718 320 3HD2 LEU 45 2HD2 LEU 45 0.562 -6.366 -6.366 321 HA PRO 46 HA PRO 46 4.365 -4.142 -4.142 322 1HB PRO 46 2HB PRO 46 1.954 -4.557 -4.557 323 2HB PRO 46 1HB PRO 46 3.214 -5.801 -5.801 324 1HG PRO 46 2HG PRO 46 0.714 -5.493 -5.493 325 2HG PRO 46 1HG PRO 46 1.563 -6.959 -6.959 326 1HD PRO 46 2HD PRO 46 1.644 -5.872 -5.872 327 2HD PRO 46 1HD PRO 46 2.841 -7.001 -7.001 328 H VAL 47 H VAL 47 3.581 -2.180 -2.180 329 HA VAL 47 HA VAL 47 2.698 -0.121 -0.121 330 HB VAL 47 HB VAL 47 2.931 -0.492 -0.492 331 1HG1 VAL 47 2HG1 VAL 47 1.586 1.698 1.698 332 2HG1 VAL 47 1HG1 VAL 47 2.714 2.195 2.195 333 3HG1 VAL 47 3HG1 VAL 47 1.346 1.155 1.155 334 1HG2 VAL 47 3HG2 VAL 47 4.877 -0.182 -0.182 335 2HG2 VAL 47 2HG2 VAL 47 4.906 0.748 0.748 336 3HG2 VAL 47 1HG2 VAL 47 4.367 1.506 1.506 337 H ASP 48 H ASP 48 0.843 -2.584 -2.584 338 HA ASP 48 HA ASP 48 -1.603 -1.077 -1.077 339 1HB ASP 48 2HB ASP 48 -0.553 -3.707 -3.707 340 2HB ASP 48 1HB ASP 48 -2.067 -3.833 -3.833 341 H ILE 49 H ILE 49 -0.269 -3.157 -3.157 342 HA ILE 49 HA ILE 49 -2.512 -3.033 -3.033 343 HB ILE 49 HB ILE 49 0.418 -3.244 -3.244 344 1HG1 ILE 49 2HG1 ILE 49 0.216 -4.759 -4.759 345 2HG1 ILE 49 1HG1 ILE 49 0.010 -5.751 -5.751 346 1HG2 ILE 49 3HG2 ILE 49 -2.191 -4.046 -4.046 347 2HG2 ILE 49 2HG2 ILE 49 -0.774 -5.048 -5.048 348 3HG2 ILE 49 1HG2 ILE 49 -0.765 -3.342 -3.342 349 1HD1 ILE 49 3HD1 ILE 49 -2.257 -4.604 -4.604 350 2HD1 ILE 49 2HD1 ILE 49 -1.691 -6.272 -6.272 351 3HD1 ILE 49 1HD1 ILE 49 -2.425 -5.655 -5.655 352 H LEU 50 H LEU 50 0.469 -1.193 -1.193 353 HA LEU 50 HA LEU 50 0.050 0.649 0.649 354 1HB LEU 50 2HB LEU 50 1.472 1.236 1.236 355 2HB LEU 50 1HB LEU 50 1.900 1.787 1.787 356 HG LEU 50 HG LEU 50 2.281 -0.934 -0.934 357 1HD1 LEU 50 2HD1 LEU 50 3.920 1.287 1.287 358 2HD1 LEU 50 1HD1 LEU 50 4.418 -0.264 -0.264 359 3HD1 LEU 50 3HD1 LEU 50 4.350 -0.043 -0.043 360 1HD2 LEU 50 1HD2 LEU 50 1.769 -0.252 -0.252 361 2HD2 LEU 50 3HD2 LEU 50 1.368 -1.719 -1.719 362 3HD2 LEU 50 2HD2 LEU 50 3.022 -1.440 -1.440 363 H GLY 51 H GLY 51 -1.320 0.376 0.376 364 1HA GLY 51 2HA GLY 51 -2.228 3.180 3.180 365 2HA GLY 51 1HA GLY 51 -2.595 1.948 1.948 366 H ARG 52 H ARG 52 -3.422 -0.004 -0.004 367 HA ARG 52 HA ARG 52 -6.177 1.004 1.004 368 1HB ARG 52 2HB ARG 52 -5.127 -1.336 -1.336 369 2HB ARG 52 1HB ARG 52 -5.372 -1.732 -1.732 370 1HG ARG 52 2HG ARG 52 -7.728 -0.802 -0.802 371 2HG ARG 52 1HG ARG 52 -7.438 -0.785 -0.785 372 1HD ARG 52 2HD ARG 52 -7.047 -3.273 -3.273 373 2HD ARG 52 1HD ARG 52 -8.570 -2.893 -2.893 374 HE ARG 52 HE ARG 52 -6.618 -2.548 -2.548 375 1HH1 ARG 52 1HH2 ARG 52 -8.803 -4.710 -4.710 376 2HH1 ARG 52 2HH2 ARG 52 -7.845 -6.142 -6.142 377 1HH2 ARG 52 2HH1 ARG 52 -4.853 -4.548 -4.548 378 2HH2 ARG 52 1HH1 ARG 52 -5.608 -6.049 -6.049 379 H VAL 53 H VAL 53 -3.677 -0.726 -0.726 380 HA VAL 53 HA VAL 53 -4.876 -0.532 -0.532 381 HB VAL 53 HB VAL 53 -2.010 -0.479 -0.479 382 1HG1 VAL 53 3HG1 VAL 53 -2.935 0.288 0.288 383 2HG1 VAL 53 2HG1 VAL 53 -2.240 -1.324 -1.324 384 3HG1 VAL 53 1HG1 VAL 53 -1.272 -0.009 -0.009 385 1HG2 VAL 53 2HG2 VAL 53 -3.448 -2.522 -2.522 386 2HG2 VAL 53 1HG2 VAL 53 -2.038 -2.806 -2.806 387 3HG2 VAL 53 3HG2 VAL 53 -3.633 -2.607 -2.607 388 H TRP 54 H TRP 54 -3.094 1.873 1.873 389 HA TRP 54 HA TRP 54 -2.854 3.817 3.817 390 1HB TRP 54 2HB TRP 54 -1.390 3.918 3.918 391 2HB TRP 54 1HB TRP 54 -2.758 3.936 3.936 392 HD1 TRP 54 HD1 TRP 54 -4.356 6.142 6.142 393 HE1 TRP 54 HE1 TRP 54 -3.773 8.590 8.590 394 HE3 TRP 54 HE3 TRP 54 0.131 5.466 5.466 395 HZ2 TRP 54 HZ2 TRP 54 -1.670 10.064 10.064 396 HZ3 TRP 54 HZ3 TRP 54 1.406 7.407 7.407 397 HH2 TRP 54 HH2 TRP 54 0.510 9.706 9.706 398 H GLU 55 H GLU 55 -4.980 3.734 3.734 399 HA GLU 55 HA GLU 55 -6.630 5.906 5.906 400 1HB GLU 55 2HB GLU 55 -7.177 3.174 3.174 401 2HB GLU 55 1HB GLU 55 -8.388 4.457 4.457 402 1HG GLU 55 2HG GLU 55 -5.690 5.238 5.238 403 2HG GLU 55 1HG GLU 55 -6.567 4.112 4.112 404 H LEU 56 H LEU 56 -7.057 2.570 2.570 405 HA LEU 56 HA LEU 56 -9.320 3.280 3.280 406 1HB LEU 56 2HB LEU 56 -7.489 0.855 0.855 407 2HB LEU 56 1HB LEU 56 -9.045 0.925 0.925 408 HG LEU 56 HG LEU 56 -9.054 1.732 1.732 409 1HD1 LEU 56 3HD1 LEU 56 -7.716 -0.626 -0.626 410 2HD1 LEU 56 2HD1 LEU 56 -9.324 -1.145 -1.145 411 3HD1 LEU 56 1HD1 LEU 56 -8.313 -0.205 -0.205 412 1HD2 LEU 56 3HD2 LEU 56 -10.880 0.844 0.844 413 2HD2 LEU 56 2HD2 LEU 56 -11.254 1.453 1.453 414 3HD2 LEU 56 1HD2 LEU 56 -10.972 -0.271 -0.271 415 H SER 57 H SER 57 -5.952 3.665 3.665 416 HA SER 57 HA SER 57 -5.886 3.564 3.564 417 1HB SER 57 2HB SER 57 -4.019 2.509 2.509 418 2HB SER 57 1HB SER 57 -3.919 3.661 3.661 419 HG SER 57 HG SER 57 -3.471 4.313 4.313 420 H ASP 58 H ASP 58 -5.587 5.805 5.805 421 HA ASP 58 HA ASP 58 -4.873 8.097 8.097 422 1HB ASP 58 2HB ASP 58 -4.348 7.562 7.562 423 2HB ASP 58 1HB ASP 58 -5.973 8.178 8.178 424 H ILE 59 H ILE 59 -6.873 7.473 7.473 425 HA ILE 59 HA ILE 59 -9.520 7.621 7.621 426 HB ILE 59 HB ILE 59 -7.973 9.251 9.251 427 1HG1 ILE 59 2HG1 ILE 59 -7.388 6.900 6.900 428 2HG1 ILE 59 1HG1 ILE 59 -8.486 7.259 7.259 429 1HG2 ILE 59 2HG2 ILE 59 -10.411 9.866 9.866 430 2HG2 ILE 59 1HG2 ILE 59 -10.815 8.228 8.228 431 3HG2 ILE 59 3HG2 ILE 59 -9.989 9.324 9.324 432 1HD1 ILE 59 2HD1 ILE 59 -10.382 6.468 6.468 433 2HD1 ILE 59 1HD1 ILE 59 -9.152 5.888 5.888 434 3HD1 ILE 59 3HD1 ILE 59 -9.250 5.210 5.210 435 H ASP 60 H ASP 60 -7.310 10.358 10.358 436 HA ASP 60 HA ASP 60 -9.609 12.138 12.138 437 1HB ASP 60 2HB ASP 60 -6.648 12.698 12.698 438 2HB ASP 60 1HB ASP 60 -7.929 13.908 13.908 439 H HIS 61 H HIS 61 -7.042 10.377 10.377 440 HA HIS 61 HA HIS 61 -6.526 10.193 10.193 441 1HB HIS 61 2HB HIS 61 -8.906 11.980 11.980 442 2HB HIS 61 1HB HIS 61 -8.321 10.633 10.633 443 HD1 HIS 61 HD1 HIS 61 -11.211 11.209 11.209 444 HD2 HIS 61 HD2 HIS 61 -8.332 8.289 8.289 445 HE1 HIS 61 HE1 HIS 61 -12.393 9.330 9.330 446 H ASP 62 H ASP 62 -5.474 12.394 12.394 447 HA ASP 62 HA ASP 62 -5.395 14.685 14.685 448 1HB ASP 62 2HB ASP 62 -4.700 15.930 15.930 449 2HB ASP 62 1HB ASP 62 -5.965 14.833 14.833 450 H GLY 63 H GLY 63 -3.753 11.923 11.923 451 1HA GLY 63 2HA GLY 63 -1.655 11.426 11.426 452 2HA GLY 63 1HA GLY 63 -1.276 13.151 13.151 453 H MET 64 H MET 64 -2.482 12.153 12.153 454 HA MET 64 HA MET 64 0.237 11.583 11.583 455 1HB MET 64 2HB MET 64 -1.524 13.915 13.915 456 2HB MET 64 1HB MET 64 -0.860 13.251 13.251 457 1HG MET 64 2HG MET 64 1.393 13.387 13.387 458 2HG MET 64 1HG MET 64 0.772 13.941 13.941 459 1HE MET 64 3HE MET 64 2.938 15.170 15.170 460 2HE MET 64 2HE MET 64 2.784 16.752 16.752 461 3HE MET 64 1HE MET 64 2.713 15.294 15.294 462 H LEU 65 H LEU 65 0.162 10.609 10.609 463 HA LEU 65 HA LEU 65 -2.481 9.305 9.305 464 1HB LEU 65 2HB LEU 65 0.369 8.254 8.254 465 2HB LEU 65 1HB LEU 65 -1.016 7.376 7.376 466 HG LEU 65 HG LEU 65 -0.872 8.337 8.337 467 1HD1 LEU 65 1HD1 LEU 65 0.564 6.193 6.193 468 2HD1 LEU 65 3HD1 LEU 65 -0.629 5.514 5.514 469 3HD1 LEU 65 2HD1 LEU 65 0.573 6.659 6.659 470 1HD2 LEU 65 1HD2 LEU 65 -2.800 6.892 6.892 471 2HD2 LEU 65 3HD2 LEU 65 -3.068 7.782 7.782 472 3HD2 LEU 65 2HD2 LEU 65 -2.488 6.118 6.118 473 H ASP 66 H ASP 66 -3.150 10.268 10.268 474 HA ASP 66 HA ASP 66 -1.322 11.438 11.438 475 1HB ASP 66 2HB ASP 66 -3.856 11.829 11.829 476 2HB ASP 66 1HB ASP 66 -4.100 10.450 10.450 477 H ARG 67 H ARG 67 -1.295 10.602 10.602 478 HA ARG 67 HA ARG 67 -0.025 8.136 8.136 479 1HB ARG 67 2HB ARG 67 -0.680 8.345 8.345 480 2HB ARG 67 1HB ARG 67 -0.145 9.885 9.885 481 1HG ARG 67 2HG ARG 67 -2.655 10.273 10.273 482 2HG ARG 67 1HG ARG 67 -2.951 8.981 8.981 483 1HD ARG 67 2HD ARG 67 -1.338 11.489 11.489 484 2HD ARG 67 1HD ARG 67 -3.019 11.220 11.220 485 HE ARG 67 HE ARG 67 -1.331 8.995 8.995 486 1HH1 ARG 67 1HH2 ARG 67 0.007 11.590 11.590 487 2HH1 ARG 67 2HH2 ARG 67 -0.644 11.704 11.704 488 1HH2 ARG 67 2HH1 ARG 67 -3.166 9.393 9.393 489 2HH2 ARG 67 1HH1 ARG 67 -2.442 10.460 10.460 490 H ASP 68 H ASP 68 -3.513 8.783 8.783 491 HA ASP 68 HA ASP 68 -4.169 5.988 5.988 492 1HB ASP 68 2HB ASP 68 -5.358 8.518 8.518 493 2HB ASP 68 1HB ASP 68 -6.327 7.681 7.681 494 H GLU 69 H GLU 69 -4.041 8.069 8.069 495 HA GLU 69 HA GLU 69 -5.455 6.204 6.204 496 1HB GLU 69 2HB GLU 69 -3.532 8.451 8.451 497 2HB GLU 69 1HB GLU 69 -4.789 7.786 7.786 498 1HG GLU 69 2HG GLU 69 -6.487 8.493 8.493 499 2HG GLU 69 1HG GLU 69 -5.192 9.314 9.314 500 H PHE 70 H PHE 70 -2.056 6.920 6.920 501 HA PHE 70 HA PHE 70 -0.912 5.180 5.180 502 1HB PHE 70 2HB PHE 70 0.214 7.064 7.064 503 2HB PHE 70 1HB PHE 70 0.176 6.081 6.081 504 HD1 PHE 70 HD2 PHE 70 1.516 4.020 4.020 505 HD2 PHE 70 HD1 PHE 70 1.715 6.541 6.541 506 HE1 PHE 70 HE2 PHE 70 3.588 2.858 2.858 507 HE2 PHE 70 HE1 PHE 70 3.784 5.380 5.380 508 HZ PHE 70 HZ PHE 70 4.717 3.543 3.543 509 H ALA 71 H ALA 71 -2.426 4.650 4.650 510 HA ALA 71 HA ALA 71 -1.157 2.086 2.086 511 1HB ALA 71 3HB ALA 71 -2.202 3.662 3.662 512 2HB ALA 71 2HB ALA 71 -3.777 3.291 3.291 513 3HB ALA 71 1HB ALA 71 -2.852 2.026 2.026 514 H VAL 72 H VAL 72 -4.172 3.165 3.165 515 HA VAL 72 HA VAL 72 -5.380 0.590 0.590 516 HB VAL 72 HB VAL 72 -5.563 3.111 3.111 517 1HG1 VAL 72 3HG1 VAL 72 -7.412 0.757 0.757 518 2HG1 VAL 72 2HG1 VAL 72 -7.936 2.265 2.265 519 3HG1 VAL 72 1HG1 VAL 72 -6.691 1.283 1.283 520 1HG2 VAL 72 2HG2 VAL 72 -5.917 3.140 3.140 521 2HG2 VAL 72 1HG2 VAL 72 -6.963 4.063 4.063 522 3HG2 VAL 72 3HG2 VAL 72 -7.496 2.504 2.504 523 H ALA 73 H ALA 73 -2.813 2.299 2.299 524 HA ALA 73 HA ALA 73 -2.902 0.585 0.585 525 1HB ALA 73 1HB ALA 73 -1.876 3.147 3.147 526 2HB ALA 73 3HB ALA 73 -0.577 2.199 2.199 527 3HB ALA 73 2HB ALA 73 -2.053 2.516 2.516 528 H MET 74 H MET 74 -1.547 0.386 0.386 529 HA MET 74 HA MET 74 0.933 -0.979 -0.979 530 1HB MET 74 2HB MET 74 -0.525 -0.395 -0.395 531 2HB MET 74 1HB MET 74 0.943 -1.372 -1.372 532 1HG MET 74 2HG MET 74 0.966 1.267 1.267 533 2HG MET 74 1HG MET 74 1.073 1.256 1.256 534 1HE MET 74 1HE MET 74 2.507 -0.066 -0.066 535 2HE MET 74 3HE MET 74 3.010 1.592 1.592 536 3HE MET 74 2HE MET 74 4.209 0.304 0.304 537 H PHE 75 H PHE 75 -2.159 -1.926 -1.926 538 HA PHE 75 HA PHE 75 -1.462 -4.759 -4.759 539 1HB PHE 75 2HB PHE 75 -3.498 -5.020 -5.020 540 2HB PHE 75 1HB PHE 75 -3.093 -3.354 -3.354 541 HD1 PHE 75 HD2 PHE 75 -4.168 -1.468 -1.468 542 HD2 PHE 75 HD1 PHE 75 -5.369 -5.542 -5.542 543 HE1 PHE 75 HE2 PHE 75 -6.264 -0.688 -0.688 544 HE2 PHE 75 HE1 PHE 75 -7.469 -4.759 -4.759 545 HZ PHE 75 HZ PHE 75 -7.917 -2.330 -2.330 546 H LEU 76 H LEU 76 -2.974 -2.408 -2.408 547 HA LEU 76 HA LEU 76 -4.304 -4.243 -4.243 548 1HB LEU 76 2HB LEU 76 -3.460 -1.373 -1.373 549 2HB LEU 76 1HB LEU 76 -3.870 -2.054 -2.054 550 HG LEU 76 HG LEU 76 -5.640 -2.028 -2.028 551 1HD1 LEU 76 3HD1 LEU 76 -5.203 0.015 0.015 552 2HD1 LEU 76 2HD1 LEU 76 -6.449 -0.853 -0.853 553 3HD1 LEU 76 1HD1 LEU 76 -6.774 -0.286 -0.286 554 1HD2 LEU 76 1HD2 LEU 76 -5.784 -3.462 -3.462 555 2HD2 LEU 76 3HD2 LEU 76 -6.287 -4.009 -4.009 556 3HD2 LEU 76 2HD2 LEU 76 -7.281 -2.857 -2.857 557 H VAL 77 H VAL 77 -1.048 -3.079 -3.079 558 HA VAL 77 HA VAL 77 -0.122 -4.130 -4.130 559 HB VAL 77 HB VAL 77 1.131 -2.646 -2.646 560 1HG1 VAL 77 1HG1 VAL 77 2.398 -3.942 -3.942 561 2HG1 VAL 77 3HG1 VAL 77 3.073 -2.437 -2.437 562 3HG1 VAL 77 2HG1 VAL 77 2.990 -3.866 -3.866 563 1HG2 VAL 77 3HG2 VAL 77 -0.425 -1.631 -1.631 564 2HG2 VAL 77 2HG2 VAL 77 0.992 -0.756 -0.756 565 3HG2 VAL 77 1HG2 VAL 77 1.077 -1.679 -1.679 566 H TYR 78 H TYR 78 0.909 -4.498 -4.498 567 HA TYR 78 HA TYR 78 2.454 -6.786 -6.786 568 1HB TYR 78 2HB TYR 78 0.867 -5.411 -5.411 569 2HB TYR 78 1HB TYR 78 1.118 -7.124 -7.124 570 HD1 TYR 78 HD2 TYR 78 3.630 -7.940 -7.940 571 HD2 TYR 78 HD1 TYR 78 2.480 -3.964 -3.964 572 HE1 TYR 78 HE2 TYR 78 5.969 -7.458 -7.458 573 HE2 TYR 78 HE1 TYR 78 4.813 -3.479 -3.479 574 HH TYR 78 HH TYR 78 7.420 -5.418 -5.418 575 H CYS 79 H CYS 79 -1.041 -6.579 -6.579 576 HA CYS 79 HA CYS 79 -1.442 -9.464 -9.464 577 1HB CYS 79 2HB CYS 79 -3.121 -7.066 -7.066 578 2HB CYS 79 1HB CYS 79 -3.786 -8.697 -8.697 579 HG CYS 79 HG CYS 79 -3.485 -7.149 -7.149 580 H ALA 80 H ALA 80 -0.467 -7.416 -7.416 581 HA ALA 80 HA ALA 80 -1.559 -9.159 -9.159 582 1HB ALA 80 1HB ALA 80 -1.101 -6.504 -6.504 583 2HB ALA 80 3HB ALA 80 0.438 -7.013 -7.013 584 3HB ALA 80 2HB ALA 80 -1.065 -7.364 -7.364 585 H LEU 81 H LEU 81 1.157 -9.006 -9.006 586 HA LEU 81 HA LEU 81 3.051 -10.219 -10.219 587 1HB LEU 81 2HB LEU 81 3.114 -9.500 -9.500 588 2HB LEU 81 1HB LEU 81 4.481 -10.238 -10.238 589 HG LEU 81 HG LEU 81 4.318 -8.326 -8.326 590 1HD1 LEU 81 2HD1 LEU 81 2.351 -7.457 -7.457 591 2HD1 LEU 81 1HD1 LEU 81 3.223 -6.266 -6.266 592 3HD1 LEU 81 3HD1 LEU 81 2.175 -7.448 -7.448 593 1HD2 LEU 81 1HD2 LEU 81 5.582 -8.525 -8.525 594 2HD2 LEU 81 3HD2 LEU 81 5.993 -7.390 -7.390 595 3HD2 LEU 81 2HD2 LEU 81 4.878 -6.909 -6.909 596 H GLU 82 H GLU 82 1.261 -11.106 -11.106 597 HA GLU 82 HA GLU 82 2.204 -13.829 -13.829 598 1HB GLU 82 2HB GLU 82 0.048 -12.163 -12.163 599 2HB GLU 82 1HB GLU 82 -0.051 -13.915 -13.915 600 1HG GLU 82 2HG GLU 82 2.653 -12.997 -12.997 601 2HG GLU 82 1HG GLU 82 1.509 -12.155 -12.155 602 H LYS 83 H LYS 83 -0.949 -12.454 -12.454 603 HA LYS 83 HA LYS 83 -1.242 -14.016 -14.016 604 1HB LYS 83 2HB LYS 83 -1.189 -15.915 -15.915 605 2HB LYS 83 1HB LYS 83 -2.383 -15.172 -15.172 606 1HG LYS 83 2HG LYS 83 -4.124 -15.431 -15.431 607 2HG LYS 83 1HG LYS 83 -2.985 -15.761 -15.761 608 1HD LYS 83 2HD LYS 83 -3.249 -17.554 -17.554 609 2HD LYS 83 1HD LYS 83 -4.188 -17.801 -17.801 610 1HE LYS 83 2HE LYS 83 -2.322 -18.421 -18.421 611 2HE LYS 83 1HE LYS 83 -1.207 -17.483 -17.483 612 1HZ LYS 83 2HZ LYS 83 -1.928 -19.045 -19.045 613 2HZ LYS 83 1HZ LYS 83 -2.544 -20.047 -20.047 614 3HZ LYS 83 3HZ LYS 83 -0.888 -19.687 -19.687 615 H GLU 84 H GLU 84 -2.721 -12.230 -12.230 616 HA GLU 84 HA GLU 84 -5.387 -12.047 -12.047 617 1HB GLU 84 2HB GLU 84 -3.659 -10.618 -10.618 618 2HB GLU 84 1HB GLU 84 -5.184 -9.865 -9.865 619 1HG GLU 84 2HG GLU 84 -4.953 -12.731 -12.731 620 2HG GLU 84 1HG GLU 84 -5.366 -11.377 -11.377 621 HA PRO 85 HA PRO 85 -4.179 -9.275 -9.275 622 1HB PRO 85 2HB PRO 85 -6.578 -9.422 -9.422 623 2HB PRO 85 1HB PRO 85 -5.321 -10.669 -10.669 624 1HG PRO 85 2HG PRO 85 -7.808 -10.668 -10.668 625 2HG PRO 85 1HG PRO 85 -7.033 -11.996 -11.996 626 1HD PRO 85 2HD PRO 85 -6.846 -11.640 -11.640 627 2HD PRO 85 1HD PRO 85 -5.624 -12.486 -12.486 628 H VAL 86 H VAL 86 -5.346 -7.200 -7.200 629 HA VAL 86 HA VAL 86 -6.891 -5.967 -5.967 630 HB VAL 86 HB VAL 86 -4.860 -4.788 -4.788 631 1HG1 VAL 86 1HG1 VAL 86 -6.911 -3.416 -3.416 632 2HG1 VAL 86 3HG1 VAL 86 -5.775 -3.343 -3.343 633 3HG1 VAL 86 2HG1 VAL 86 -5.311 -2.708 -2.708 634 1HG2 VAL 86 2HG2 VAL 86 -4.691 -6.059 -6.059 635 2HG2 VAL 86 1HG2 VAL 86 -3.405 -5.679 -5.679 636 3HG2 VAL 86 3HG2 VAL 86 -3.983 -4.445 -4.445 637 HA PRO 87 HA PRO 87 -9.786 -5.276 -5.276 638 1HB PRO 87 2HB PRO 87 -11.854 -4.481 -4.481 639 2HB PRO 87 1HB PRO 87 -11.391 -6.182 -6.182 640 1HG PRO 87 2HG PRO 87 -10.979 -4.363 -4.363 641 2HG PRO 87 1HG PRO 87 -11.069 -6.128 -6.128 642 1HD PRO 87 2HD PRO 87 -8.737 -4.528 -4.528 643 2HD PRO 87 1HD PRO 87 -8.822 -6.292 -6.292 644 H MET 88 H MET 88 -11.565 -3.209 -3.209 645 HA MET 88 HA MET 88 -9.839 -0.783 -0.783 646 1HB MET 88 2HB MET 88 -12.144 -1.058 -1.058 647 2HB MET 88 1HB MET 88 -10.804 0.080 0.080 648 1HG MET 88 2HG MET 88 -9.283 -1.557 -1.557 649 2HG MET 88 1HG MET 88 -10.302 -2.888 -2.888 650 1HE MET 88 3HE MET 88 -9.208 -0.538 -0.538 651 2HE MET 88 2HE MET 88 -8.951 -2.141 -2.141 652 3HE MET 88 1HE MET 88 -10.017 -1.001 -1.001 653 H SER 89 H SER 89 -12.336 -2.304 -2.304 654 HA SER 89 HA SER 89 -14.014 0.147 0.147 655 1HB SER 89 2HB SER 89 -14.432 -2.784 -2.784 656 2HB SER 89 1HB SER 89 -15.602 -1.546 -1.546 657 HG SER 89 HG SER 89 -15.693 -0.954 -0.954 658 H LEU 90 H LEU 90 -13.174 1.348 1.348 659 HA LEU 90 HA LEU 90 -11.774 0.556 0.556 660 1HB LEU 90 2HB LEU 90 -13.293 2.838 2.838 661 2HB LEU 90 1HB LEU 90 -13.462 2.674 2.674 662 HG LEU 90 HG LEU 90 -10.755 2.469 2.469 663 1HD1 LEU 90 3HD1 LEU 90 -12.236 4.982 4.982 664 2HD1 LEU 90 2HD1 LEU 90 -10.498 4.916 4.916 665 3HD1 LEU 90 1HD1 LEU 90 -11.623 4.593 4.593 666 1HD2 LEU 90 1HD2 LEU 90 -11.895 2.635 2.635 667 2HD2 LEU 90 3HD2 LEU 90 -10.338 1.995 1.995 668 3HD2 LEU 90 2HD2 LEU 90 -10.538 3.729 3.729 669 HA PRO 91 HA PRO 91 -15.177 -1.898 -1.898 670 1HB PRO 91 2HB PRO 91 -13.646 -3.154 -3.154 671 2HB PRO 91 1HB PRO 91 -13.725 -3.672 -3.672 672 1HG PRO 91 2HG PRO 91 -11.646 -2.059 -2.059 673 2HG PRO 91 1HG PRO 91 -11.463 -3.318 -3.318 674 1HD PRO 91 2HD PRO 91 -11.284 -0.665 -0.665 675 2HD PRO 91 1HD PRO 91 -11.849 -1.870 -1.870 676 HA PRO 92 HA PRO 92 -16.211 0.797 0.797 677 1HB PRO 92 2HB PRO 92 -18.275 -0.669 -0.669 678 2HB PRO 92 1HB PRO 92 -18.408 0.259 0.259 679 1HG PRO 92 2HG PRO 92 -17.956 -2.657 -2.657 680 2HG PRO 92 1HG PRO 92 -18.964 -1.827 -1.827 681 1HD PRO 92 2HD PRO 92 -16.513 -2.846 -2.846 682 2HD PRO 92 1HD PRO 92 -17.198 -1.432 -1.432 683 H ALA 93 H ALA 93 -14.918 -2.314 -2.314 684 HA ALA 93 HA ALA 93 -14.986 -2.191 -2.191 685 1HB ALA 93 3HB ALA 93 -15.126 -4.226 -4.226 686 2HB ALA 93 2HB ALA 93 -13.566 -4.431 -4.431 687 3HB ALA 93 1HB ALA 93 -15.057 -4.447 -4.447 688 H LEU 94 H LEU 94 -13.364 -0.542 -0.542 689 HA LEU 94 HA LEU 94 -10.703 -0.966 -0.966 690 1HB LEU 94 2HB LEU 94 -10.499 -2.144 -2.144 691 2HB LEU 94 1HB LEU 94 -11.568 -1.043 -1.043 692 HG LEU 94 HG LEU 94 -9.087 -0.915 -0.915 693 1HD1 LEU 94 3HD1 LEU 94 -11.111 0.997 0.997 694 2HD1 LEU 94 2HD1 LEU 94 -9.702 1.801 1.801 695 3HD1 LEU 94 1HD1 LEU 94 -9.614 1.129 1.129 696 1HD2 LEU 94 3HD2 LEU 94 -8.970 -0.532 -0.532 697 2HD2 LEU 94 2HD2 LEU 94 -7.638 -0.604 -0.604 698 3HD2 LEU 94 1HD2 LEU 94 -8.400 0.938 0.938 699 H VAL 95 H VAL 95 -13.174 1.183 1.183 700 HA VAL 95 HA VAL 95 -11.483 3.540 3.540 701 HB VAL 95 HB VAL 95 -14.427 3.585 3.585 702 1HG1 VAL 95 3HG1 VAL 95 -12.540 5.108 5.108 703 2HG1 VAL 95 2HG1 VAL 95 -14.292 5.248 5.248 704 3HG1 VAL 95 1HG1 VAL 95 -13.489 5.722 5.722 705 1HG2 VAL 95 1HG2 VAL 95 -13.137 2.065 2.065 706 2HG2 VAL 95 3HG2 VAL 95 -14.813 2.022 2.022 707 3HG2 VAL 95 2HG2 VAL 95 -14.294 3.253 3.253 708 HA PRO 96 HA PRO 96 -11.148 4.516 4.516 709 1HB PRO 96 2HB PRO 96 -10.571 7.184 7.184 710 2HB PRO 96 1HB PRO 96 -9.389 5.908 5.908 711 1HG PRO 96 2HG PRO 96 -11.060 7.502 7.502 712 2HG PRO 96 1HG PRO 96 -9.376 6.979 6.979 713 1HD PRO 96 2HD PRO 96 -11.442 5.743 5.743 714 2HD PRO 96 1HD PRO 96 -9.954 4.900 4.900 715 HA PRO 97 HA PRO 97 -15.057 6.214 6.214 716 1HB PRO 97 2HB PRO 97 -14.542 7.454 7.454 717 2HB PRO 97 1HB PRO 97 -14.614 5.689 5.689 718 1HG PRO 97 2HG PRO 97 -12.244 7.482 7.482 719 2HG PRO 97 1HG PRO 97 -12.485 5.869 5.869 720 1HD PRO 97 2HD PRO 97 -11.043 6.341 6.341 721 2HD PRO 97 1HD PRO 97 -11.880 4.809 4.809 722 H SER 98 H SER 98 -14.099 7.732 7.732 723 HA SER 98 HA SER 98 -14.808 10.483 10.483 724 1HB SER 98 2HB SER 98 -12.291 10.141 10.141 725 2HB SER 98 1HB SER 98 -12.423 9.783 9.783 726 HG SER 98 HG SER 98 -11.989 11.949 11.949 727 H LYS 99 H LYS 99 -14.165 8.173 8.173 728 HA LYS 99 HA LYS 99 -15.783 9.741 9.741 729 1HB LYS 99 2HB LYS 99 -13.586 7.971 7.971 730 2HB LYS 99 1HB LYS 99 -14.915 7.113 7.113 731 1HG LYS 99 2HG LYS 99 -15.300 9.406 9.406 732 2HG LYS 99 1HG LYS 99 -13.620 9.705 9.705 733 1HD LYS 99 2HD LYS 99 -12.829 8.194 8.194 734 2HD LYS 99 1HD LYS 99 -14.092 7.024 7.024 735 1HE LYS 99 2HE LYS 99 -14.598 9.518 9.518 736 2HE LYS 99 1HE LYS 99 -14.228 7.932 7.932 737 1HZ LYS 99 3HZ LYS 99 -16.048 7.136 7.136 738 2HZ LYS 99 2HZ LYS 99 -16.562 8.754 8.754 739 3HZ LYS 99 1HZ LYS 99 -16.507 7.827 7.827 740 H ARG 100 H ARG 100 -16.629 7.922 7.922 741 HA ARG 100 HA ARG 100 -18.091 5.731 5.731 742 1HB ARG 100 2HB ARG 100 -18.484 8.223 8.223 743 2HB ARG 100 1HB ARG 100 -20.051 7.598 7.598 744 1HG ARG 100 2HG ARG 100 -19.363 6.742 6.742 745 2HG ARG 100 1HG ARG 100 -19.595 5.457 5.457 746 1HD ARG 100 2HD ARG 100 -17.462 5.303 5.303 747 2HD ARG 100 1HD ARG 100 -17.221 5.223 5.223 748 HE ARG 100 HE ARG 100 -15.954 7.186 7.186 749 1HH1 ARG 100 1HH2 ARG 100 -17.723 6.842 6.842 750 2HH1 ARG 100 2HH2 ARG 100 -17.875 8.536 8.536 751 1HH2 ARG 100 2HH1 ARG 100 -16.583 9.518 9.518 752 2HH2 ARG 100 1HH1 ARG 100 -17.229 10.048 10.048 Start of MODEL 9 1 HA PRO 6 HA PRO 6 -13.061 -4.628 -4.628 2 1HB PRO 6 2HB PRO 6 -10.522 -3.961 -3.961 3 2HB PRO 6 1HB PRO 6 -11.648 -4.831 -4.831 4 1HG PRO 6 2HG PRO 6 -9.391 -5.881 -5.881 5 2HG PRO 6 1HG PRO 6 -9.926 -6.351 -6.351 6 1HD PRO 6 2HD PRO 6 -10.491 -7.784 -7.784 7 2HD PRO 6 1HD PRO 6 -11.516 -7.788 -7.788 8 H TRP 7 H TRP 7 -11.281 -2.611 -2.611 9 HA TRP 7 HA TRP 7 -11.476 -1.917 -1.917 10 1HB TRP 7 2HB TRP 7 -10.645 -0.470 -0.470 11 2HB TRP 7 1HB TRP 7 -9.218 -1.477 -1.477 12 HD1 TRP 7 HD1 TRP 7 -10.105 -1.031 -1.031 13 HE1 TRP 7 HE1 TRP 7 -8.515 0.681 0.681 14 HE3 TRP 7 HE3 TRP 7 -7.856 0.893 0.893 15 HZ2 TRP 7 HZ2 TRP 7 -6.553 2.604 2.604 16 HZ3 TRP 7 HZ3 TRP 7 -6.134 2.663 2.663 17 HH2 TRP 7 HH2 TRP 7 -5.479 3.521 3.521 18 H ALA 8 H ALA 8 -10.670 -2.783 -2.783 19 HA ALA 8 HA ALA 8 -9.352 -5.153 -5.153 20 1HB ALA 8 2HB ALA 8 -9.049 -2.524 -2.524 21 2HB ALA 8 1HB ALA 8 -8.480 -4.064 -4.064 22 3HB ALA 8 3HB ALA 8 -10.202 -3.815 -3.815 23 H VAL 9 H VAL 9 -7.891 -2.158 -2.158 24 HA VAL 9 HA VAL 9 -5.164 -3.351 -3.351 25 HB VAL 9 HB VAL 9 -6.340 -0.609 -0.609 26 1HG1 VAL 9 3HG1 VAL 9 -3.447 -1.439 -1.439 27 2HG1 VAL 9 2HG1 VAL 9 -4.033 0.224 0.224 28 3HG1 VAL 9 1HG1 VAL 9 -4.545 -0.870 -0.870 29 1HG2 VAL 9 1HG2 VAL 9 -5.023 -2.074 -2.074 30 2HG2 VAL 9 3HG2 VAL 9 -5.925 -0.559 -0.559 31 3HG2 VAL 9 2HG2 VAL 9 -4.209 -0.546 -0.546 32 H LYS 10 H LYS 10 -4.272 -4.259 -4.259 33 HA LYS 10 HA LYS 10 -5.734 -4.168 -4.168 34 1HB LYS 10 2HB LYS 10 -3.731 -5.772 -5.772 35 2HB LYS 10 1HB LYS 10 -3.283 -5.494 -5.494 36 1HG LYS 10 2HG LYS 10 -6.008 -6.041 -6.041 37 2HG LYS 10 1HG LYS 10 -5.412 -7.165 -7.165 38 1HD LYS 10 2HD LYS 10 -3.453 -7.362 -7.362 39 2HD LYS 10 1HD LYS 10 -4.876 -7.083 -7.083 40 1HE LYS 10 2HE LYS 10 -5.866 -8.918 -8.918 41 2HE LYS 10 1HE LYS 10 -4.176 -9.444 -9.444 42 1HZ LYS 10 3HZ LYS 10 -4.446 -9.123 -9.123 43 2HZ LYS 10 2HZ LYS 10 -6.118 -9.006 -9.006 44 3HZ LYS 10 1HZ LYS 10 -5.291 -10.437 -10.437 45 HA PRO 11 HA PRO 11 -3.214 -1.275 -1.275 46 1HB PRO 11 2HB PRO 11 -2.419 -2.598 -2.598 47 2HB PRO 11 1HB PRO 11 -4.082 -2.030 -2.030 48 1HG PRO 11 2HG PRO 11 -2.941 -4.761 -4.761 49 2HG PRO 11 1HG PRO 11 -4.499 -4.269 -4.269 50 1HD PRO 11 2HD PRO 11 -4.242 -5.241 -5.241 51 2HD PRO 11 1HD PRO 11 -5.492 -4.060 -4.060 52 H GLU 12 H GLU 12 -1.810 -4.496 -4.496 53 HA GLU 12 HA GLU 12 0.956 -3.599 -3.599 54 1HB GLU 12 2HB GLU 12 0.096 -6.158 -6.158 55 2HB GLU 12 1HB GLU 12 1.440 -5.891 -5.891 56 1HG GLU 12 2HG GLU 12 -0.491 -5.279 -5.279 57 2HG GLU 12 1HG GLU 12 -1.472 -6.254 -6.254 58 H ASP 13 H ASP 13 -1.331 -3.924 -3.924 59 HA ASP 13 HA ASP 13 0.683 -3.779 -3.779 60 1HB ASP 13 2HB ASP 13 -2.331 -3.775 -3.775 61 2HB ASP 13 1HB ASP 13 -1.546 -3.435 -3.435 62 H LYS 14 H LYS 14 -1.862 -1.713 -1.713 63 HA LYS 14 HA LYS 14 -1.230 0.642 0.642 64 1HB LYS 14 2HB LYS 14 -3.184 -0.177 -0.177 65 2HB LYS 14 1HB LYS 14 -2.262 0.896 0.896 66 1HG LYS 14 2HG LYS 14 -2.945 1.828 1.828 67 2HG LYS 14 1HG LYS 14 -4.192 1.871 1.871 68 1HD LYS 14 2HD LYS 14 -3.180 3.569 3.569 69 2HD LYS 14 1HD LYS 14 -1.566 2.913 2.913 70 1HE LYS 14 2HE LYS 14 -2.434 3.693 3.693 71 2HE LYS 14 1HE LYS 14 -2.948 5.006 5.006 72 1HZ LYS 14 3HZ LYS 14 -0.718 4.933 4.933 73 2HZ LYS 14 2HZ LYS 14 -0.240 3.794 3.794 74 3HZ LYS 14 1HZ LYS 14 -0.669 5.370 5.370 75 H ALA 15 H ALA 15 0.273 -0.944 -0.944 76 HA ALA 15 HA ALA 15 1.703 1.402 1.402 77 1HB ALA 15 1HB ALA 15 1.640 -1.575 -1.575 78 2HB ALA 15 3HB ALA 15 2.965 -0.626 -0.626 79 3HB ALA 15 2HB ALA 15 1.303 -0.274 -0.274 80 H LYS 16 H LYS 16 2.467 -1.459 -1.459 81 HA LYS 16 HA LYS 16 5.214 -0.620 -0.620 82 1HB LYS 16 2HB LYS 16 5.357 -2.675 -2.675 83 2HB LYS 16 1HB LYS 16 3.874 -2.953 -2.953 84 1HG LYS 16 2HG LYS 16 2.528 -2.364 -2.364 85 2HG LYS 16 1HG LYS 16 3.980 -1.931 -1.931 86 1HD LYS 16 2HD LYS 16 4.531 -4.502 -4.502 87 2HD LYS 16 1HD LYS 16 2.818 -4.574 -4.574 88 1HE LYS 16 2HE LYS 16 3.335 -4.618 -4.618 89 2HE LYS 16 1HE LYS 16 4.214 -3.085 -3.085 90 1HZ LYS 16 1HZ LYS 16 5.947 -4.614 -4.614 91 2HZ LYS 16 3HZ LYS 16 5.216 -5.834 -5.834 92 3HZ LYS 16 2HZ LYS 16 5.927 -4.498 -4.498 93 H TYR 17 H TYR 17 2.090 -0.078 -0.078 94 HA TYR 17 HA TYR 17 3.049 0.971 0.971 95 1HB TYR 17 2HB TYR 17 0.499 1.450 1.450 96 2HB TYR 17 1HB TYR 17 0.721 1.847 1.847 97 HD1 TYR 17 HD2 TYR 17 2.593 -1.019 -1.019 98 HD2 TYR 17 HD1 TYR 17 -1.502 0.253 0.253 99 HE1 TYR 17 HE2 TYR 17 1.893 -3.318 -3.318 100 HE2 TYR 17 HE1 TYR 17 -2.211 -2.040 -2.040 101 HH TYR 17 HH TYR 17 -1.164 -4.442 -4.442 102 H ASP 18 H ASP 18 2.271 2.296 2.296 103 HA ASP 18 HA ASP 18 2.596 5.087 5.087 104 1HB ASP 18 2HB ASP 18 1.271 4.158 4.158 105 2HB ASP 18 1HB ASP 18 2.784 3.679 3.679 106 H ALA 19 H ALA 19 4.788 2.537 2.537 107 HA ALA 19 HA ALA 19 7.021 4.293 4.293 108 1HB ALA 19 3HB ALA 19 6.391 1.760 1.760 109 2HB ALA 19 2HB ALA 19 7.334 1.428 1.428 110 3HB ALA 19 1HB ALA 19 8.071 2.288 2.288 111 H ILE 20 H ILE 20 5.784 2.431 2.431 112 HA ILE 20 HA ILE 20 8.010 3.003 3.003 113 HB ILE 20 HB ILE 20 5.218 1.850 1.850 114 1HG1 ILE 20 2HG1 ILE 20 7.812 0.520 0.520 115 2HG1 ILE 20 1HG1 ILE 20 7.306 0.607 0.607 116 1HG2 ILE 20 3HG2 ILE 20 6.971 2.806 2.806 117 2HG2 ILE 20 2HG2 ILE 20 6.272 1.202 1.202 118 3HG2 ILE 20 1HG2 ILE 20 5.226 2.591 2.591 119 1HD1 ILE 20 1HD1 ILE 20 5.538 -0.460 -0.460 120 2HD1 ILE 20 3HD1 ILE 20 6.562 -1.490 -1.490 121 3HD1 ILE 20 2HD1 ILE 20 5.254 -0.560 -0.560 122 H PHE 21 H PHE 21 4.851 4.293 4.293 123 HA PHE 21 HA PHE 21 4.613 6.203 6.203 124 1HB PHE 21 2HB PHE 21 2.581 5.787 5.787 125 2HB PHE 21 1HB PHE 21 3.328 5.541 5.541 126 HD1 PHE 21 HD2 PHE 21 4.132 7.547 7.547 127 HD2 PHE 21 HD1 PHE 21 1.670 7.906 7.906 128 HE1 PHE 21 HE2 PHE 21 3.528 9.858 9.858 129 HE2 PHE 21 HE1 PHE 21 1.068 10.220 10.220 130 HZ PHE 21 HZ PHE 21 2.001 11.195 11.195 131 H ASP 22 H ASP 22 5.766 6.331 6.331 132 HA ASP 22 HA ASP 22 6.618 9.127 9.127 133 1HB ASP 22 2HB ASP 22 5.699 8.190 8.190 134 2HB ASP 22 1HB ASP 22 6.990 6.986 6.986 135 H SER 23 H SER 23 7.826 6.329 6.329 136 HA SER 23 HA SER 23 10.682 6.804 6.804 137 1HB SER 23 2HB SER 23 8.953 4.688 4.688 138 2HB SER 23 1HB SER 23 10.506 4.829 4.829 139 HG SER 23 HG SER 23 10.119 4.639 4.639 140 H LEU 24 H LEU 24 8.363 7.891 7.891 141 HA LEU 24 HA LEU 24 10.330 8.456 8.456 142 1HB LEU 24 2HB LEU 24 7.401 9.091 9.091 143 2HB LEU 24 1HB LEU 24 8.466 8.506 8.506 144 HG LEU 24 HG LEU 24 7.606 6.814 6.814 145 1HD1 LEU 24 1HD1 LEU 24 6.119 7.636 7.636 146 2HD1 LEU 24 3HD1 LEU 24 6.373 5.890 5.890 147 3HD1 LEU 24 2HD1 LEU 24 5.581 6.664 6.664 148 1HD2 LEU 24 2HD2 LEU 24 8.847 6.191 6.191 149 2HD2 LEU 24 1HD2 LEU 24 9.650 6.075 6.075 150 3HD2 LEU 24 3HD2 LEU 24 8.328 4.978 4.978 151 H SER 25 H SER 25 8.871 9.777 9.777 152 HA SER 25 HA SER 25 9.146 11.964 11.964 153 1HB SER 25 2HB SER 25 9.797 13.003 13.003 154 2HB SER 25 1HB SER 25 10.388 13.562 13.562 155 HG SER 25 HG SER 25 11.952 12.172 12.172 156 HA PRO 26 HA PRO 26 4.944 12.503 12.503 157 1HB PRO 26 2HB PRO 26 3.828 12.960 12.960 158 2HB PRO 26 1HB PRO 26 4.144 11.329 11.329 159 1HG PRO 26 2HG PRO 26 5.679 12.933 12.933 160 2HG PRO 26 1HG PRO 26 5.361 11.191 11.191 161 1HD PRO 26 2HD PRO 26 7.730 12.341 12.341 162 2HD PRO 26 1HD PRO 26 7.148 10.774 10.774 163 H VAL 27 H VAL 27 3.872 14.413 14.413 164 HA VAL 27 HA VAL 27 5.108 16.900 16.900 165 HB VAL 27 HB VAL 27 3.561 16.486 16.486 166 1HG1 VAL 27 3HG1 VAL 27 3.639 18.804 18.804 167 2HG1 VAL 27 2HG1 VAL 27 5.398 18.704 18.704 168 3HG1 VAL 27 1HG1 VAL 27 4.605 18.636 18.636 169 1HG2 VAL 27 2HG2 VAL 27 5.785 15.180 15.180 170 2HG2 VAL 27 1HG2 VAL 27 5.615 16.202 16.202 171 3HG2 VAL 27 3HG2 VAL 27 6.558 16.764 16.764 172 H ASN 28 H ASN 28 3.723 17.355 17.355 173 HA ASN 28 HA ASN 28 1.726 18.082 18.082 174 1HB ASN 28 2HB ASN 28 1.783 19.403 19.403 175 2HB ASN 28 1HB ASN 28 0.638 18.211 18.211 176 1HD2 ASN 28 1HD2 ASN 28 -1.368 17.885 17.885 177 2HD2 ASN 28 2HD2 ASN 28 -2.004 19.283 19.283 178 H GLY 29 H GLY 29 2.257 15.203 15.203 179 1HA GLY 29 2HA GLY 29 1.040 13.226 13.226 180 2HA GLY 29 1HA GLY 29 -0.443 14.183 14.183 181 H PHE 30 H PHE 30 1.876 14.253 14.253 182 HA PHE 30 HA PHE 30 0.005 12.662 12.662 183 1HB PHE 30 2HB PHE 30 0.934 15.508 15.508 184 2HB PHE 30 1HB PHE 30 0.154 14.539 14.539 185 HD1 PHE 30 HD2 PHE 30 -2.113 13.464 13.464 186 HD2 PHE 30 HD1 PHE 30 -0.356 16.668 16.668 187 HE1 PHE 30 HE2 PHE 30 -4.340 14.015 14.015 188 HE2 PHE 30 HE1 PHE 30 -2.568 17.216 17.216 189 HZ PHE 30 HZ PHE 30 -4.568 15.893 15.893 190 H LEU 31 H LEU 31 0.985 11.729 11.729 191 HA LEU 31 HA LEU 31 3.950 12.130 12.130 192 1HB LEU 31 2HB LEU 31 2.282 9.600 9.600 193 2HB LEU 31 1HB LEU 31 3.948 9.669 9.669 194 HG LEU 31 HG LEU 31 3.208 10.606 10.606 195 1HD1 LEU 31 3HD1 LEU 31 2.458 8.259 8.259 196 2HD1 LEU 31 2HD1 LEU 31 4.058 7.820 7.820 197 3HD1 LEU 31 1HD1 LEU 31 3.858 8.369 8.369 198 1HD2 LEU 31 1HD2 LEU 31 5.654 10.182 10.182 199 2HD2 LEU 31 3HD2 LEU 31 5.387 11.244 11.244 200 3HD2 LEU 31 2HD2 LEU 31 5.736 9.532 9.532 201 H SER 32 H SER 32 4.556 12.617 12.617 202 HA SER 32 HA SER 32 2.535 12.920 12.920 203 1HB SER 32 2HB SER 32 5.226 13.136 13.136 204 2HB SER 32 1HB SER 32 4.067 14.426 14.426 205 HG SER 32 HG SER 32 6.108 14.425 14.425 206 H GLY 33 H GLY 33 2.170 11.590 11.590 207 1HA GLY 33 2HA GLY 33 2.680 8.873 8.873 208 2HA GLY 33 1HA GLY 33 2.488 9.778 9.778 209 H ASP 34 H ASP 34 4.917 11.444 11.444 210 HA ASP 34 HA ASP 34 6.880 9.894 9.894 211 1HB ASP 34 2HB ASP 34 7.289 12.276 12.276 212 2HB ASP 34 1HB ASP 34 8.294 11.809 11.809 213 H LYS 35 H LYS 35 6.014 10.054 10.054 214 HA LYS 35 HA LYS 35 8.572 8.778 8.778 215 1HB LYS 35 2HB LYS 35 6.199 9.503 9.503 216 2HB LYS 35 1HB LYS 35 7.900 9.424 9.424 217 1HG LYS 35 2HG LYS 35 8.412 11.380 11.380 218 2HG LYS 35 1HG LYS 35 6.771 11.416 11.416 219 1HD LYS 35 2HD LYS 35 6.902 13.056 13.056 220 2HD LYS 35 1HD LYS 35 5.923 11.702 11.702 221 1HE LYS 35 2HE LYS 35 7.324 11.807 11.807 222 2HE LYS 35 1HE LYS 35 8.403 10.868 10.868 223 1HZ LYS 35 2HZ LYS 35 9.208 13.022 13.022 224 2HZ LYS 35 1HZ LYS 35 8.315 13.823 13.823 225 3HZ LYS 35 3HZ LYS 35 9.591 12.793 12.793 226 H VAL 36 H VAL 36 5.090 8.239 8.239 227 HA VAL 36 HA VAL 36 5.228 5.556 5.556 228 HB VAL 36 HB VAL 36 3.093 7.030 7.030 229 1HG1 VAL 36 2HG1 VAL 36 2.766 4.591 4.591 230 2HG1 VAL 36 1HG1 VAL 36 2.902 4.632 4.632 231 3HG1 VAL 36 3HG1 VAL 36 1.548 5.431 5.431 232 1HG2 VAL 36 1HG2 VAL 36 3.905 6.993 6.993 233 2HG2 VAL 36 3HG2 VAL 36 3.414 8.358 8.358 234 3HG2 VAL 36 2HG2 VAL 36 2.206 7.217 7.217 235 H LYS 37 H LYS 37 5.028 6.986 6.986 236 HA LYS 37 HA LYS 37 4.439 4.772 4.772 237 1HB LYS 37 2HB LYS 37 4.720 6.899 6.899 238 2HB LYS 37 1HB LYS 37 6.332 7.106 7.106 239 1HG LYS 37 2HG LYS 37 7.332 5.745 5.745 240 2HG LYS 37 1HG LYS 37 5.889 4.753 4.753 241 1HD LYS 37 2HD LYS 37 4.794 6.621 6.621 242 2HD LYS 37 1HD LYS 37 6.269 7.577 7.577 243 1HE LYS 37 2HE LYS 37 7.171 6.562 6.562 244 2HE LYS 37 1HE LYS 37 6.904 4.964 4.964 245 1HZ LYS 37 3HZ LYS 37 4.516 5.229 5.229 246 2HZ LYS 37 2HZ LYS 37 4.943 6.604 6.604 247 3HZ LYS 37 1HZ LYS 37 5.556 5.079 5.079 248 HA PRO 38 HA PRO 38 9.095 3.497 3.497 249 1HB PRO 38 2HB PRO 38 10.592 4.518 4.518 250 2HB PRO 38 1HB PRO 38 10.514 5.274 5.274 251 1HG PRO 38 2HG PRO 38 9.015 5.957 5.957 252 2HG PRO 38 1HG PRO 38 9.795 7.036 7.036 253 1HD PRO 38 2HD PRO 38 7.155 6.652 6.652 254 2HD PRO 38 1HD PRO 38 8.075 6.833 6.833 255 H VAL 39 H VAL 39 7.353 4.199 4.199 256 HA VAL 39 HA VAL 39 8.266 1.827 1.827 257 HB VAL 39 HB VAL 39 6.240 4.043 4.043 258 1HG1 VAL 39 2HG1 VAL 39 6.219 1.413 1.413 259 2HG1 VAL 39 1HG1 VAL 39 6.060 2.813 2.813 260 3HG1 VAL 39 3HG1 VAL 39 4.909 2.567 2.567 261 1HG2 VAL 39 3HG2 VAL 39 8.906 3.739 3.739 262 2HG2 VAL 39 2HG2 VAL 39 7.789 4.966 4.966 263 3HG2 VAL 39 1HG2 VAL 39 8.018 3.463 3.463 264 H LEU 40 H LEU 40 6.015 2.459 2.459 265 HA LEU 40 HA LEU 40 4.277 0.159 0.159 266 1HB LEU 40 2HB LEU 40 4.162 2.416 2.416 267 2HB LEU 40 1HB LEU 40 3.015 1.080 1.080 268 HG LEU 40 HG LEU 40 3.503 2.934 2.934 269 1HD1 LEU 40 2HD1 LEU 40 1.432 2.787 2.787 270 2HD1 LEU 40 1HD1 LEU 40 0.963 3.369 3.369 271 3HD1 LEU 40 3HD1 LEU 40 2.223 4.205 4.205 272 1HD2 LEU 40 2HD2 LEU 40 2.244 0.313 0.313 273 2HD2 LEU 40 1HD2 LEU 40 2.635 1.232 1.232 274 3HD2 LEU 40 3HD2 LEU 40 1.117 1.527 1.527 275 H LEU 41 H LEU 41 6.951 1.037 1.037 276 HA LEU 41 HA LEU 41 6.513 -1.041 -1.041 277 1HB LEU 41 2HB LEU 41 8.824 0.835 0.835 278 2HB LEU 41 1HB LEU 41 8.627 -0.116 -0.116 279 HG LEU 41 HG LEU 41 6.381 1.672 1.672 280 1HD1 LEU 41 2HD1 LEU 41 9.035 2.613 2.613 281 2HD1 LEU 41 1HD1 LEU 41 8.222 3.057 3.057 282 3HD1 LEU 41 3HD1 LEU 41 7.562 3.579 3.579 283 1HD2 LEU 41 1HD2 LEU 41 7.216 0.126 0.126 284 2HD2 LEU 41 3HD2 LEU 41 5.721 1.038 1.038 285 3HD2 LEU 41 2HD2 LEU 41 7.143 1.823 1.823 286 H ASN 42 H ASN 42 8.514 -0.458 -0.458 287 HA ASN 42 HA ASN 42 10.313 -2.653 -2.653 288 1HB ASN 42 2HB ASN 42 10.888 -2.234 -2.234 289 2HB ASN 42 1HB ASN 42 10.465 -0.672 -0.672 290 1HD2 ASN 42 1HD2 ASN 42 8.318 0.210 0.210 291 2HD2 ASN 42 2HD2 ASN 42 7.491 -0.304 -0.304 292 H SER 43 H SER 43 6.966 -2.621 -2.621 293 HA SER 43 HA SER 43 6.748 -4.987 -4.987 294 1HB SER 43 2HB SER 43 4.674 -4.002 -4.002 295 2HB SER 43 1HB SER 43 4.445 -4.656 -4.656 296 HG SER 43 HG SER 43 5.087 -2.772 -2.772 297 H LYS 44 H LYS 44 7.858 -4.631 -4.631 298 HA LYS 44 HA LYS 44 8.352 -6.250 -6.250 299 1HB LYS 44 2HB LYS 44 8.491 -7.599 -7.599 300 2HB LYS 44 1HB LYS 44 6.944 -8.275 -8.275 301 1HG LYS 44 2HG LYS 44 8.136 -8.714 -8.714 302 2HG LYS 44 1HG LYS 44 9.629 -8.485 -8.485 303 1HD LYS 44 2HD LYS 44 7.508 -10.347 -10.347 304 2HD LYS 44 1HD LYS 44 8.628 -10.897 -10.897 305 1HE LYS 44 2HE LYS 44 10.477 -9.923 -9.923 306 2HE LYS 44 1HE LYS 44 9.221 -10.079 -10.079 307 1HZ LYS 44 2HZ LYS 44 8.868 -12.371 -12.371 308 2HZ LYS 44 1HZ LYS 44 10.103 -12.227 -12.227 309 3HZ LYS 44 3HZ LYS 44 10.477 -12.137 -12.137 310 H LEU 45 H LEU 45 5.508 -4.961 -4.961 311 HA LEU 45 HA LEU 45 3.840 -6.811 -6.811 312 1HB LEU 45 2HB LEU 45 3.387 -4.488 -4.488 313 2HB LEU 45 1HB LEU 45 2.130 -4.947 -4.947 314 HG LEU 45 HG LEU 45 3.401 -6.751 -6.751 315 1HD1 LEU 45 1HD1 LEU 45 1.403 -4.872 -4.872 316 2HD1 LEU 45 3HD1 LEU 45 0.492 -6.346 -6.346 317 3HD1 LEU 45 2HD1 LEU 45 1.619 -6.290 -6.290 318 1HD2 LEU 45 1HD2 LEU 45 2.094 -7.339 -7.339 319 2HD2 LEU 45 3HD2 LEU 45 2.705 -8.470 -8.470 320 3HD2 LEU 45 2HD2 LEU 45 1.054 -7.861 -7.861 321 HA PRO 46 HA PRO 46 4.096 -4.186 -4.186 322 1HB PRO 46 2HB PRO 46 1.579 -4.431 -4.431 323 2HB PRO 46 1HB PRO 46 2.789 -5.727 -5.727 324 1HG PRO 46 2HG PRO 46 0.446 -5.428 -5.428 325 2HG PRO 46 1HG PRO 46 1.161 -6.888 -6.888 326 1HD PRO 46 2HD PRO 46 1.531 -6.048 -6.048 327 2HD PRO 46 1HD PRO 46 2.623 -7.137 -7.137 328 H VAL 47 H VAL 47 3.247 -2.112 -2.112 329 HA VAL 47 HA VAL 47 2.523 -0.213 -0.213 330 HB VAL 47 HB VAL 47 2.645 -0.247 -0.247 331 1HG1 VAL 47 3HG1 VAL 47 0.847 1.324 1.324 332 2HG1 VAL 47 2HG1 VAL 47 1.956 2.119 2.119 333 3HG1 VAL 47 1HG1 VAL 47 2.256 2.190 2.190 334 1HG2 VAL 47 1HG2 VAL 47 4.333 0.666 0.666 335 2HG2 VAL 47 3HG2 VAL 47 4.817 -0.082 -0.082 336 3HG2 VAL 47 2HG2 VAL 47 4.385 1.628 1.628 337 H ASP 48 H ASP 48 0.597 -2.509 -2.509 338 HA ASP 48 HA ASP 48 -1.852 -0.965 -0.965 339 1HB ASP 48 2HB ASP 48 -0.941 -3.802 -3.802 340 2HB ASP 48 1HB ASP 48 -2.663 -3.499 -3.499 341 H ILE 49 H ILE 49 -0.392 -3.134 -3.134 342 HA ILE 49 HA ILE 49 -2.560 -3.149 -3.149 343 HB ILE 49 HB ILE 49 0.412 -3.276 -3.276 344 1HG1 ILE 49 2HG1 ILE 49 0.105 -4.783 -4.783 345 2HG1 ILE 49 1HG1 ILE 49 0.096 -5.775 -5.775 346 1HG2 ILE 49 2HG2 ILE 49 -1.812 -3.454 -3.454 347 2HG2 ILE 49 1HG2 ILE 49 -1.404 -5.142 -5.142 348 3HG2 ILE 49 3HG2 ILE 49 -0.202 -4.052 -4.052 349 1HD1 ILE 49 1HD1 ILE 49 -2.398 -5.683 -5.683 350 2HD1 ILE 49 3HD1 ILE 49 -2.330 -4.815 -4.815 351 3HD1 ILE 49 2HD1 ILE 49 -1.734 -6.471 -6.471 352 H LEU 50 H LEU 50 0.329 -1.184 -1.184 353 HA LEU 50 HA LEU 50 -0.051 0.563 0.563 354 1HB LEU 50 2HB LEU 50 1.316 1.175 1.175 355 2HB LEU 50 1HB LEU 50 1.747 1.779 1.779 356 HG LEU 50 HG LEU 50 2.174 -0.961 -0.961 357 1HD1 LEU 50 1HD1 LEU 50 3.850 1.073 1.073 358 2HD1 LEU 50 3HD1 LEU 50 4.027 0.549 0.549 359 3HD1 LEU 50 2HD1 LEU 50 4.413 -0.560 -0.560 360 1HD2 LEU 50 2HD2 LEU 50 1.787 -0.214 -0.214 361 2HD2 LEU 50 1HD2 LEU 50 1.160 -1.611 -1.611 362 3HD2 LEU 50 3HD2 LEU 50 2.868 -1.535 -1.535 363 H GLY 51 H GLY 51 -1.508 0.399 0.399 364 1HA GLY 51 2HA GLY 51 -2.425 3.202 3.202 365 2HA GLY 51 1HA GLY 51 -2.808 2.026 2.026 366 H ARG 52 H ARG 52 -3.560 -0.006 -0.006 367 HA ARG 52 HA ARG 52 -6.329 0.948 0.948 368 1HB ARG 52 2HB ARG 52 -5.096 -1.431 -1.431 369 2HB ARG 52 1HB ARG 52 -5.680 -1.769 -1.769 370 1HG ARG 52 2HG ARG 52 -7.886 -0.653 -0.653 371 2HG ARG 52 1HG ARG 52 -7.256 -0.925 -0.925 372 1HD ARG 52 2HD ARG 52 -6.904 -3.312 -3.312 373 2HD ARG 52 1HD ARG 52 -8.603 -2.798 -2.798 374 HE ARG 52 HE ARG 52 -7.331 -2.680 -2.680 375 1HH1 ARG 52 1HH2 ARG 52 -8.054 -5.265 -5.265 376 2HH1 ARG 52 2HH2 ARG 52 -9.264 -5.953 -5.953 377 1HH2 ARG 52 2HH1 ARG 52 -9.383 -3.220 -3.220 378 2HH2 ARG 52 1HH1 ARG 52 -10.017 -4.796 -4.796 379 H VAL 53 H VAL 53 -3.796 -0.777 -0.777 380 HA VAL 53 HA VAL 53 -4.943 -0.606 -0.606 381 HB VAL 53 HB VAL 53 -2.097 -0.521 -0.521 382 1HG1 VAL 53 1HG1 VAL 53 -3.014 0.165 0.165 383 2HG1 VAL 53 3HG1 VAL 53 -2.169 -1.380 -1.380 384 3HG1 VAL 53 2HG1 VAL 53 -1.355 0.035 0.035 385 1HG2 VAL 53 1HG2 VAL 53 -3.620 -2.574 -2.574 386 2HG2 VAL 53 3HG2 VAL 53 -2.076 -2.843 -2.843 387 3HG2 VAL 53 2HG2 VAL 53 -3.555 -2.695 -2.695 388 H TRP 54 H TRP 54 -2.980 1.763 1.763 389 HA TRP 54 HA TRP 54 -2.790 3.742 3.742 390 1HB TRP 54 2HB TRP 54 -1.394 3.837 3.837 391 2HB TRP 54 1HB TRP 54 -2.798 3.826 3.826 392 HD1 TRP 54 HD1 TRP 54 -4.430 6.020 6.020 393 HE1 TRP 54 HE1 TRP 54 -3.832 8.483 8.483 394 HE3 TRP 54 HE3 TRP 54 0.187 5.423 5.423 395 HZ2 TRP 54 HZ2 TRP 54 -1.677 9.997 9.997 396 HZ3 TRP 54 HZ3 TRP 54 1.491 7.393 7.393 397 HH2 TRP 54 HH2 TRP 54 0.565 9.679 9.679 398 H GLU 55 H GLU 55 -5.004 3.601 3.601 399 HA GLU 55 HA GLU 55 -6.664 5.756 5.756 400 1HB GLU 55 2HB GLU 55 -7.028 3.007 3.007 401 2HB GLU 55 1HB GLU 55 -8.454 4.021 4.021 402 1HG GLU 55 2HG GLU 55 -5.985 5.057 5.057 403 2HG GLU 55 1HG GLU 55 -7.232 4.170 4.170 404 H LEU 56 H LEU 56 -7.255 2.448 2.448 405 HA LEU 56 HA LEU 56 -9.345 3.310 3.310 406 1HB LEU 56 2HB LEU 56 -7.649 0.792 0.792 407 2HB LEU 56 1HB LEU 56 -9.235 0.976 0.976 408 HG LEU 56 HG LEU 56 -9.196 1.751 1.751 409 1HD1 LEU 56 3HD1 LEU 56 -7.505 -0.208 -0.208 410 2HD1 LEU 56 2HD1 LEU 56 -8.931 -1.193 -1.193 411 3HD1 LEU 56 1HD1 LEU 56 -8.771 -0.354 -0.354 412 1HD2 LEU 56 2HD2 LEU 56 -11.083 1.045 1.045 413 2HD2 LEU 56 1HD2 LEU 56 -11.352 0.969 0.969 414 3HD2 LEU 56 3HD2 LEU 56 -10.886 -0.484 -0.484 415 H SER 57 H SER 57 -5.948 3.508 3.508 416 HA SER 57 HA SER 57 -5.764 3.438 3.438 417 1HB SER 57 2HB SER 57 -3.864 3.515 3.515 418 2HB SER 57 1HB SER 57 -3.299 3.866 3.866 419 HG SER 57 HG SER 57 -4.244 1.493 1.493 420 H ASP 58 H ASP 58 -5.881 5.671 5.671 421 HA ASP 58 HA ASP 58 -4.919 7.935 7.935 422 1HB ASP 58 2HB ASP 58 -4.504 7.314 7.314 423 2HB ASP 58 1HB ASP 58 -6.022 8.191 8.191 424 H ILE 59 H ILE 59 -6.836 7.610 7.610 425 HA ILE 59 HA ILE 59 -9.521 7.767 7.767 426 HB ILE 59 HB ILE 59 -7.942 9.380 9.380 427 1HG1 ILE 59 2HG1 ILE 59 -7.413 7.017 7.017 428 2HG1 ILE 59 1HG1 ILE 59 -8.500 7.431 7.431 429 1HG2 ILE 59 3HG2 ILE 59 -10.856 8.786 8.786 430 2HG2 ILE 59 2HG2 ILE 59 -10.201 8.930 8.930 431 3HG2 ILE 59 1HG2 ILE 59 -10.072 10.283 10.283 432 1HD1 ILE 59 3HD1 ILE 59 -9.326 6.148 6.148 433 2HD1 ILE 59 2HD1 ILE 59 -9.183 5.318 5.318 434 3HD1 ILE 59 1HD1 ILE 59 -10.413 6.563 6.563 435 H ASP 60 H ASP 60 -7.169 10.376 10.376 436 HA ASP 60 HA ASP 60 -9.303 12.314 12.314 437 1HB ASP 60 2HB ASP 60 -6.280 12.573 12.573 438 2HB ASP 60 1HB ASP 60 -7.436 13.902 13.902 439 H HIS 61 H HIS 61 -6.962 10.237 10.237 440 HA HIS 61 HA HIS 61 -6.464 9.895 9.895 441 1HB HIS 61 2HB HIS 61 -9.226 11.102 11.102 442 2HB HIS 61 1HB HIS 61 -8.463 10.692 10.692 443 HD1 HIS 61 HD1 HIS 61 -8.249 8.218 8.218 444 HD2 HIS 61 HD2 HIS 61 -9.764 8.826 8.826 445 HE1 HIS 61 HE1 HIS 61 -9.067 5.963 5.963 446 H ASP 62 H ASP 62 -5.304 12.212 12.212 447 HA ASP 62 HA ASP 62 -5.545 14.277 14.277 448 1HB ASP 62 2HB ASP 62 -5.039 15.850 15.850 449 2HB ASP 62 1HB ASP 62 -6.070 14.673 14.673 450 H GLY 63 H GLY 63 -3.600 11.731 11.731 451 1HA GLY 63 2HA GLY 63 -1.536 11.334 11.334 452 2HA GLY 63 1HA GLY 63 -1.224 13.070 13.070 453 H MET 64 H MET 64 -2.382 12.178 12.178 454 HA MET 64 HA MET 64 0.353 11.589 11.589 455 1HB MET 64 2HB MET 64 -1.472 13.869 13.869 456 2HB MET 64 1HB MET 64 -0.818 13.201 13.201 457 1HG MET 64 2HG MET 64 1.440 13.434 13.434 458 2HG MET 64 1HG MET 64 0.861 13.924 13.924 459 1HE MET 64 2HE MET 64 2.916 15.172 15.172 460 2HE MET 64 1HE MET 64 2.694 16.878 16.878 461 3HE MET 64 3HE MET 64 2.687 15.669 15.669 462 H LEU 65 H LEU 65 0.307 10.573 10.573 463 HA LEU 65 HA LEU 65 -2.303 9.212 9.212 464 1HB LEU 65 2HB LEU 65 0.544 8.263 8.263 465 2HB LEU 65 1HB LEU 65 -0.517 7.438 7.438 466 HG LEU 65 HG LEU 65 -0.926 7.761 7.761 467 1HD1 LEU 65 1HD1 LEU 65 0.484 5.868 5.868 468 2HD1 LEU 65 3HD1 LEU 65 -1.128 5.155 5.155 469 3HD1 LEU 65 2HD1 LEU 65 -0.406 5.536 5.536 470 1HD2 LEU 65 2HD2 LEU 65 -2.846 7.313 7.313 471 2HD2 LEU 65 1HD2 LEU 65 -3.128 7.851 7.851 472 3HD2 LEU 65 3HD2 LEU 65 -2.946 6.133 6.133 473 H ASP 66 H ASP 66 -2.973 10.182 10.182 474 HA ASP 66 HA ASP 66 -1.107 11.331 11.331 475 1HB ASP 66 2HB ASP 66 -3.221 12.322 12.322 476 2HB ASP 66 1HB ASP 66 -4.057 10.778 10.778 477 H ARG 67 H ARG 67 -1.269 10.579 10.579 478 HA ARG 67 HA ARG 67 -0.053 8.100 8.100 479 1HB ARG 67 2HB ARG 67 -1.144 8.396 8.396 480 2HB ARG 67 1HB ARG 67 0.007 9.598 9.598 481 1HG ARG 67 2HG ARG 67 -1.584 11.217 11.217 482 2HG ARG 67 1HG ARG 67 -2.788 10.093 10.093 483 1HD ARG 67 2HD ARG 67 -3.697 9.776 9.776 484 2HD ARG 67 1HD ARG 67 -2.102 9.577 9.577 485 HE ARG 67 HE ARG 67 -2.284 12.291 12.291 486 1HH1 ARG 67 1HH2 ARG 67 -1.974 11.115 11.115 487 2HH1 ARG 67 2HH2 ARG 67 -3.346 11.815 11.815 488 1HH2 ARG 67 2HH1 ARG 67 -4.919 12.736 12.736 489 2HH2 ARG 67 1HH1 ARG 67 -5.015 12.733 12.733 490 H ASP 68 H ASP 68 -3.551 8.778 8.778 491 HA ASP 68 HA ASP 68 -4.193 5.982 5.982 492 1HB ASP 68 2HB ASP 68 -5.619 8.573 8.573 493 2HB ASP 68 1HB ASP 68 -6.552 7.088 7.088 494 H GLU 69 H GLU 69 -4.074 8.042 8.042 495 HA GLU 69 HA GLU 69 -5.464 6.175 6.175 496 1HB GLU 69 2HB GLU 69 -3.534 8.415 8.415 497 2HB GLU 69 1HB GLU 69 -4.808 7.774 7.774 498 1HG GLU 69 2HG GLU 69 -6.474 8.467 8.467 499 2HG GLU 69 1HG GLU 69 -5.157 9.290 9.290 500 H PHE 70 H PHE 70 -2.062 7.004 7.004 501 HA PHE 70 HA PHE 70 -0.893 5.260 5.260 502 1HB PHE 70 2HB PHE 70 0.251 7.101 7.101 503 2HB PHE 70 1HB PHE 70 0.129 6.148 6.148 504 HD1 PHE 70 HD2 PHE 70 1.457 4.107 4.107 505 HD2 PHE 70 HD1 PHE 70 1.788 6.465 6.465 506 HE1 PHE 70 HE2 PHE 70 3.534 2.896 2.896 507 HE2 PHE 70 HE1 PHE 70 3.864 5.253 5.253 508 HZ PHE 70 HZ PHE 70 4.736 3.477 3.477 509 H ALA 71 H ALA 71 -2.139 4.762 4.762 510 HA ALA 71 HA ALA 71 -1.002 2.196 2.196 511 1HB ALA 71 3HB ALA 71 -2.509 3.948 3.948 512 2HB ALA 71 2HB ALA 71 -3.809 2.891 2.891 513 3HB ALA 71 1HB ALA 71 -2.506 2.240 2.240 514 H VAL 72 H VAL 72 -4.105 3.066 3.066 515 HA VAL 72 HA VAL 72 -5.097 0.468 0.468 516 HB VAL 72 HB VAL 72 -5.365 3.077 3.077 517 1HG1 VAL 72 2HG1 VAL 72 -6.874 0.476 0.476 518 2HG1 VAL 72 1HG1 VAL 72 -7.702 1.991 1.991 519 3HG1 VAL 72 3HG1 VAL 72 -6.328 1.491 1.491 520 1HG2 VAL 72 3HG2 VAL 72 -6.929 1.881 1.881 521 2HG2 VAL 72 2HG2 VAL 72 -5.934 3.337 3.337 522 3HG2 VAL 72 1HG2 VAL 72 -7.427 3.316 3.316 523 H ALA 73 H ALA 73 -2.587 2.303 2.303 524 HA ALA 73 HA ALA 73 -2.623 0.575 0.575 525 1HB ALA 73 1HB ALA 73 -1.898 3.194 3.194 526 2HB ALA 73 3HB ALA 73 -0.369 2.381 2.381 527 3HB ALA 73 2HB ALA 73 -1.650 2.402 2.402 528 H MET 74 H MET 74 -1.226 0.343 0.343 529 HA MET 74 HA MET 74 1.242 -0.944 -0.944 530 1HB MET 74 2HB MET 74 0.260 -0.780 -0.780 531 2HB MET 74 1HB MET 74 1.920 -0.929 -0.929 532 1HG MET 74 2HG MET 74 0.161 1.483 1.483 533 2HG MET 74 1HG MET 74 1.869 1.332 1.332 534 1HE MET 74 2HE MET 74 3.340 0.271 0.271 535 2HE MET 74 1HE MET 74 2.786 -0.099 -0.099 536 3HE MET 74 3HE MET 74 3.786 1.329 1.329 537 H PHE 75 H PHE 75 -1.722 -1.892 -1.892 538 HA PHE 75 HA PHE 75 -0.939 -4.712 -4.712 539 1HB PHE 75 2HB PHE 75 -2.888 -4.988 -4.988 540 2HB PHE 75 1HB PHE 75 -2.559 -3.287 -3.287 541 HD1 PHE 75 HD2 PHE 75 -3.835 -1.525 -1.525 542 HD2 PHE 75 HD1 PHE 75 -4.762 -5.694 -5.694 543 HE1 PHE 75 HE2 PHE 75 -6.032 -0.936 -0.936 544 HE2 PHE 75 HE1 PHE 75 -6.963 -5.102 -5.102 545 HZ PHE 75 HZ PHE 75 -7.600 -2.720 -2.720 546 H LEU 76 H LEU 76 -2.679 -2.502 -2.502 547 HA LEU 76 HA LEU 76 -3.998 -4.445 -4.445 548 1HB LEU 76 2HB LEU 76 -3.343 -1.542 -1.542 549 2HB LEU 76 1HB LEU 76 -3.689 -2.241 -2.241 550 HG LEU 76 HG LEU 76 -5.479 -2.442 -2.442 551 1HD1 LEU 76 1HD1 LEU 76 -5.157 -0.405 -0.405 552 2HD1 LEU 76 3HD1 LEU 76 -6.729 -1.177 -1.177 553 3HD1 LEU 76 2HD1 LEU 76 -6.302 -0.455 -0.455 554 1HD2 LEU 76 3HD2 LEU 76 -5.514 -3.649 -3.649 555 2HD2 LEU 76 2HD2 LEU 76 -5.977 -4.370 -4.370 556 3HD2 LEU 76 1HD2 LEU 76 -7.051 -3.216 -3.216 557 H VAL 77 H VAL 77 -0.782 -3.079 -3.079 558 HA VAL 77 HA VAL 77 0.001 -4.166 -4.166 559 HB VAL 77 HB VAL 77 1.291 -2.500 -2.500 560 1HG1 VAL 77 1HG1 VAL 77 2.545 -4.000 -4.000 561 2HG1 VAL 77 3HG1 VAL 77 3.114 -2.355 -2.355 562 3HG1 VAL 77 2HG1 VAL 77 3.221 -3.563 -3.563 563 1HG2 VAL 77 1HG2 VAL 77 -0.360 -1.786 -1.786 564 2HG2 VAL 77 3HG2 VAL 77 0.891 -0.725 -0.725 565 3HG2 VAL 77 2HG2 VAL 77 1.201 -1.667 -1.667 566 H TYR 78 H TYR 78 0.476 -4.829 -4.829 567 HA TYR 78 HA TYR 78 2.490 -6.890 -6.890 568 1HB TYR 78 2HB TYR 78 1.204 -5.541 -5.541 569 2HB TYR 78 1HB TYR 78 1.630 -7.229 -7.229 570 HD1 TYR 78 HD2 TYR 78 4.016 -7.793 -7.793 571 HD2 TYR 78 HD1 TYR 78 2.864 -4.077 -4.077 572 HE1 TYR 78 HE2 TYR 78 6.404 -7.155 -7.155 573 HE2 TYR 78 HE1 TYR 78 5.252 -3.438 -3.438 574 HH TYR 78 HH TYR 78 7.539 -4.897 -4.897 575 H CYS 79 H CYS 79 -0.996 -6.761 -6.761 576 HA CYS 79 HA CYS 79 -1.285 -9.657 -9.657 577 1HB CYS 79 2HB CYS 79 -3.154 -7.316 -7.316 578 2HB CYS 79 1HB CYS 79 -3.737 -8.975 -8.975 579 HG CYS 79 HG CYS 79 -2.012 -8.249 -8.249 580 H ALA 80 H ALA 80 -0.969 -7.393 -7.393 581 HA ALA 80 HA ALA 80 -2.268 -8.995 -8.995 582 1HB ALA 80 2HB ALA 80 -1.640 -6.466 -6.466 583 2HB ALA 80 1HB ALA 80 -0.031 -7.007 -7.007 584 3HB ALA 80 3HB ALA 80 -1.405 -7.319 -7.319 585 H LEU 81 H LEU 81 0.650 -9.096 -9.096 586 HA LEU 81 HA LEU 81 2.145 -10.680 -10.680 587 1HB LEU 81 2HB LEU 81 2.834 -10.142 -10.142 588 2HB LEU 81 1HB LEU 81 3.939 -10.361 -10.361 589 HG LEU 81 HG LEU 81 2.197 -7.982 -7.982 590 1HD1 LEU 81 3HD1 LEU 81 4.841 -8.595 -8.595 591 2HD1 LEU 81 2HD1 LEU 81 4.961 -7.599 -7.599 592 3HD1 LEU 81 1HD1 LEU 81 4.146 -6.974 -6.974 593 1HD2 LEU 81 2HD2 LEU 81 3.458 -8.826 -8.826 594 2HD2 LEU 81 1HD2 LEU 81 1.826 -8.222 -8.222 595 3HD2 LEU 81 3HD2 LEU 81 3.202 -7.120 -7.120 596 H GLU 82 H GLU 82 0.711 -11.061 -11.061 597 HA GLU 82 HA GLU 82 0.800 -14.039 -14.039 598 1HB GLU 82 2HB GLU 82 1.001 -13.948 -13.948 599 2HB GLU 82 1HB GLU 82 2.416 -13.469 -13.469 600 1HG GLU 82 2HG GLU 82 2.234 -11.266 -11.266 601 2HG GLU 82 1HG GLU 82 0.471 -11.315 -11.315 602 H LYS 83 H LYS 83 -1.513 -12.257 -12.257 603 HA LYS 83 HA LYS 83 -3.447 -13.550 -13.550 604 1HB LYS 83 2HB LYS 83 -2.584 -10.982 -10.982 605 2HB LYS 83 1HB LYS 83 -4.036 -10.734 -10.734 606 1HG LYS 83 2HG LYS 83 -4.781 -10.755 -10.755 607 2HG LYS 83 1HG LYS 83 -5.207 -12.338 -12.338 608 1HD LYS 83 2HD LYS 83 -3.888 -13.381 -13.381 609 2HD LYS 83 1HD LYS 83 -2.509 -12.376 -12.376 610 1HE LYS 83 2HE LYS 83 -2.706 -11.250 -11.250 611 2HE LYS 83 1HE LYS 83 -4.350 -10.758 -10.758 612 1HZ LYS 83 2HZ LYS 83 -3.944 -13.532 -13.532 613 2HZ LYS 83 1HZ LYS 83 -3.908 -12.348 -12.348 614 3HZ LYS 83 3HZ LYS 83 -5.284 -12.516 -12.516 615 H GLU 84 H GLU 84 -3.669 -10.997 -10.997 616 HA GLU 84 HA GLU 84 -4.765 -12.710 -12.710 617 1HB GLU 84 2HB GLU 84 -6.459 -11.769 -11.769 618 2HB GLU 84 1HB GLU 84 -7.075 -11.258 -11.258 619 1HG GLU 84 2HG GLU 84 -6.443 -13.820 -13.820 620 2HG GLU 84 1HG GLU 84 -6.815 -13.992 -13.992 621 HA PRO 85 HA PRO 85 -4.415 -9.037 -9.037 622 1HB PRO 85 2HB PRO 85 -6.707 -8.929 -8.929 623 2HB PRO 85 1HB PRO 85 -5.408 -10.101 -10.101 624 1HG PRO 85 2HG PRO 85 -7.997 -10.473 -10.473 625 2HG PRO 85 1HG PRO 85 -7.152 -11.565 -11.565 626 1HD PRO 85 2HD PRO 85 -7.110 -11.872 -11.872 627 2HD PRO 85 1HD PRO 85 -5.776 -12.387 -12.387 628 H VAL 86 H VAL 86 -5.538 -6.824 -6.824 629 HA VAL 86 HA VAL 86 -7.191 -6.105 -6.105 630 HB VAL 86 HB VAL 86 -5.290 -4.495 -4.495 631 1HG1 VAL 86 2HG1 VAL 86 -7.251 -3.769 -3.769 632 2HG1 VAL 86 1HG1 VAL 86 -5.672 -2.988 -2.988 633 3HG1 VAL 86 3HG1 VAL 86 -6.665 -2.817 -2.817 634 1HG2 VAL 86 3HG2 VAL 86 -5.065 -5.961 -5.961 635 2HG2 VAL 86 2HG2 VAL 86 -3.854 -5.717 -5.717 636 3HG2 VAL 86 1HG2 VAL 86 -4.229 -4.413 -4.413 637 HA PRO 87 HA PRO 87 -10.228 -5.089 -5.089 638 1HB PRO 87 2HB PRO 87 -12.219 -4.434 -4.434 639 2HB PRO 87 1HB PRO 87 -11.757 -6.112 -6.112 640 1HG PRO 87 2HG PRO 87 -11.228 -4.471 -4.471 641 2HG PRO 87 1HG PRO 87 -11.323 -6.228 -6.228 642 1HD PRO 87 2HD PRO 87 -8.982 -4.646 -4.646 643 2HD PRO 87 1HD PRO 87 -9.080 -6.387 -6.387 644 H MET 88 H MET 88 -11.635 -3.052 -3.052 645 HA MET 88 HA MET 88 -10.051 -0.654 -0.654 646 1HB MET 88 2HB MET 88 -12.352 -0.642 -0.642 647 2HB MET 88 1HB MET 88 -10.861 0.291 0.291 648 1HG MET 88 2HG MET 88 -9.620 -1.832 -1.832 649 2HG MET 88 1HG MET 88 -11.171 -2.665 -2.665 650 1HE MET 88 2HE MET 88 -12.352 -3.003 -3.003 651 2HE MET 88 1HE MET 88 -13.050 -1.799 -1.799 652 3HE MET 88 3HE MET 88 -11.813 -2.913 -2.913 653 H SER 89 H SER 89 -12.466 -2.206 -2.206 654 HA SER 89 HA SER 89 -14.182 0.213 0.213 655 1HB SER 89 2HB SER 89 -14.589 -2.727 -2.727 656 2HB SER 89 1HB SER 89 -15.773 -1.488 -1.488 657 HG SER 89 HG SER 89 -15.266 -2.650 -2.650 658 H LEU 90 H LEU 90 -13.306 1.368 1.368 659 HA LEU 90 HA LEU 90 -11.923 0.481 0.481 660 1HB LEU 90 2HB LEU 90 -13.333 2.836 2.836 661 2HB LEU 90 1HB LEU 90 -13.564 2.640 2.640 662 HG LEU 90 HG LEU 90 -10.888 2.623 2.623 663 1HD1 LEU 90 3HD1 LEU 90 -12.280 4.831 4.831 664 2HD1 LEU 90 2HD1 LEU 90 -11.819 4.695 4.695 665 3HD1 LEU 90 1HD1 LEU 90 -10.575 4.826 4.826 666 1HD2 LEU 90 1HD2 LEU 90 -11.690 2.433 2.433 667 2HD2 LEU 90 3HD2 LEU 90 -10.802 1.236 1.236 668 3HD2 LEU 90 2HD2 LEU 90 -10.045 2.776 2.776 669 HA PRO 91 HA PRO 91 -15.468 -1.787 -1.787 670 1HB PRO 91 2HB PRO 91 -14.009 -3.261 -3.261 671 2HB PRO 91 1HB PRO 91 -14.166 -3.689 -3.689 672 1HG PRO 91 2HG PRO 91 -11.917 -2.377 -2.377 673 2HG PRO 91 1HG PRO 91 -11.886 -3.536 -3.536 674 1HD PRO 91 2HD PRO 91 -11.496 -0.838 -0.838 675 2HD PRO 91 1HD PRO 91 -12.092 -1.911 -1.911 676 HA PRO 92 HA PRO 92 -16.189 0.754 0.754 677 1HB PRO 92 2HB PRO 92 -18.078 -0.765 -0.765 678 2HB PRO 92 1HB PRO 92 -18.413 0.167 0.167 679 1HG PRO 92 2HG PRO 92 -17.842 -2.740 -2.740 680 2HG PRO 92 1HG PRO 92 -19.016 -1.929 -1.929 681 1HD PRO 92 2HD PRO 92 -16.644 -2.878 -2.878 682 2HD PRO 92 1HD PRO 92 -17.449 -1.459 -1.459 683 H ALA 93 H ALA 93 -14.732 -2.270 -2.270 684 HA ALA 93 HA ALA 93 -14.406 -2.181 -2.181 685 1HB ALA 93 3HB ALA 93 -14.615 -4.202 -4.202 686 2HB ALA 93 2HB ALA 93 -13.042 -4.358 -4.358 687 3HB ALA 93 1HB ALA 93 -14.521 -4.430 -4.430 688 H LEU 94 H LEU 94 -13.207 -0.380 -0.380 689 HA LEU 94 HA LEU 94 -10.429 -0.467 -0.467 690 1HB LEU 94 2HB LEU 94 -10.368 -2.096 -2.096 691 2HB LEU 94 1HB LEU 94 -11.411 -1.135 -1.135 692 HG LEU 94 HG LEU 94 -8.805 -1.306 -1.306 693 1HD1 LEU 94 2HD1 LEU 94 -10.919 0.459 0.459 694 2HD1 LEU 94 1HD1 LEU 94 -9.456 1.429 1.429 695 3HD1 LEU 94 3HD1 LEU 94 -9.472 0.072 0.072 696 1HD2 LEU 94 3HD2 LEU 94 -8.844 0.117 0.117 697 2HD2 LEU 94 2HD2 LEU 94 -7.470 -0.129 -0.129 698 3HD2 LEU 94 1HD2 LEU 94 -8.471 1.307 1.307 699 H VAL 95 H VAL 95 -12.721 1.399 1.399 700 HA VAL 95 HA VAL 95 -11.489 3.741 3.741 701 HB VAL 95 HB VAL 95 -14.097 4.428 4.428 702 1HG1 VAL 95 1HG1 VAL 95 -12.388 4.097 4.097 703 2HG1 VAL 95 3HG1 VAL 95 -13.266 2.587 2.587 704 3HG1 VAL 95 2HG1 VAL 95 -14.119 4.129 4.129 705 1HG2 VAL 95 1HG2 VAL 95 -14.521 2.085 2.085 706 2HG2 VAL 95 3HG2 VAL 95 -15.582 2.631 2.631 707 3HG2 VAL 95 2HG2 VAL 95 -14.282 1.489 1.489 708 HA PRO 96 HA PRO 96 -11.546 5.283 5.283 709 1HB PRO 96 2HB PRO 96 -10.819 7.860 7.860 710 2HB PRO 96 1HB PRO 96 -9.661 6.515 6.515 711 1HG PRO 96 2HG PRO 96 -10.980 7.758 7.758 712 2HG PRO 96 1HG PRO 96 -9.305 7.218 7.218 713 1HD PRO 96 2HD PRO 96 -11.143 5.755 5.755 714 2HD PRO 96 1HD PRO 96 -9.822 5.010 5.010 715 HA PRO 97 HA PRO 97 -15.403 7.323 7.323 716 1HB PRO 97 2HB PRO 97 -15.017 9.322 9.322 717 2HB PRO 97 1HB PRO 97 -15.051 7.601 7.601 718 1HG PRO 97 2HG PRO 97 -12.720 9.411 9.411 719 2HG PRO 97 1HG PRO 97 -12.968 8.124 8.124 720 1HD PRO 97 2HD PRO 97 -11.431 7.840 7.840 721 2HD PRO 97 1HD PRO 97 -12.250 6.488 6.488 722 H SER 98 H SER 98 -16.484 9.634 9.634 723 HA SER 98 HA SER 98 -16.786 11.733 11.733 724 1HB SER 98 2HB SER 98 -14.089 11.573 11.573 725 2HB SER 98 1HB SER 98 -14.101 11.885 11.885 726 HG SER 98 HG SER 98 -14.808 13.500 13.500 727 H LYS 99 H LYS 99 -14.664 9.668 9.668 728 HA LYS 99 HA LYS 99 -16.159 10.493 10.493 729 1HB LYS 99 2HB LYS 99 -13.807 10.305 10.305 730 2HB LYS 99 1HB LYS 99 -13.747 8.792 8.792 731 1HG LYS 99 2HG LYS 99 -15.455 8.770 8.770 732 2HG LYS 99 1HG LYS 99 -13.725 8.934 8.934 733 1HD LYS 99 2HD LYS 99 -15.084 6.735 6.735 734 2HD LYS 99 1HD LYS 99 -14.281 6.570 6.570 735 1HE LYS 99 2HE LYS 99 -12.472 5.968 5.968 736 2HE LYS 99 1HE LYS 99 -12.287 7.719 7.719 737 1HZ LYS 99 3HZ LYS 99 -14.299 6.836 6.836 738 2HZ LYS 99 2HZ LYS 99 -12.968 5.802 5.802 739 3HZ LYS 99 1HZ LYS 99 -12.780 7.474 7.474 740 H ARG 100 H ARG 100 -16.913 8.556 8.556 741 HA ARG 100 HA ARG 100 -17.793 6.184 6.184 742 1HB ARG 100 2HB ARG 100 -17.029 5.412 5.412 743 2HB ARG 100 1HB ARG 100 -17.270 6.967 6.967 744 1HG ARG 100 2HG ARG 100 -19.744 6.486 6.486 745 2HG ARG 100 1HG ARG 100 -19.379 4.864 4.864 746 1HD ARG 100 2HD ARG 100 -18.308 6.073 6.073 747 2HD ARG 100 1HD ARG 100 -19.603 4.866 4.866 748 HE ARG 100 HE ARG 100 -17.225 4.033 4.033 749 1HH1 ARG 100 1HH2 ARG 100 -19.366 3.113 3.113 750 2HH1 ARG 100 2HH2 ARG 100 -18.222 2.307 2.307 751 1HH2 ARG 100 2HH1 ARG 100 -15.453 3.487 3.487 752 2HH2 ARG 100 1HH1 ARG 100 -16.008 2.518 2.518 Start of MODEL 10 1 HA PRO 6 HA PRO 6 -14.714 -2.155 -2.155 2 1HB PRO 6 2HB PRO 6 -12.367 -3.297 -3.297 3 2HB PRO 6 1HB PRO 6 -13.867 -3.421 -3.421 4 1HG PRO 6 2HG PRO 6 -12.543 -5.433 -5.433 5 2HG PRO 6 1HG PRO 6 -13.524 -5.655 -5.655 6 1HD PRO 6 2HD PRO 6 -14.383 -6.044 -6.044 7 2HD PRO 6 1HD PRO 6 -15.432 -5.856 -5.856 8 H TRP 7 H TRP 7 -12.023 -1.624 -1.624 9 HA TRP 7 HA TRP 7 -11.738 -1.100 -1.100 10 1HB TRP 7 2HB TRP 7 -11.042 0.435 0.435 11 2HB TRP 7 1HB TRP 7 -9.808 -0.733 -0.733 12 HD1 TRP 7 HD1 TRP 7 -10.393 -0.508 -0.508 13 HE1 TRP 7 HE1 TRP 7 -8.438 0.729 0.729 14 HE3 TRP 7 HE3 TRP 7 -7.992 1.327 1.327 15 HZ2 TRP 7 HZ2 TRP 7 -6.161 2.290 2.290 16 HZ3 TRP 7 HZ3 TRP 7 -5.933 2.687 2.687 17 HH2 TRP 7 HH2 TRP 7 -5.016 3.169 3.169 18 H ALA 8 H ALA 8 -10.826 -2.490 -2.490 19 HA ALA 8 HA ALA 8 -9.893 -5.054 -5.054 20 1HB ALA 8 3HB ALA 8 -9.114 -2.949 -2.949 21 2HB ALA 8 2HB ALA 8 -8.622 -4.636 -4.636 22 3HB ALA 8 1HB ALA 8 -10.333 -4.212 -4.212 23 H VAL 9 H VAL 9 -8.195 -2.056 -2.056 24 HA VAL 9 HA VAL 9 -5.635 -3.529 -3.529 25 HB VAL 9 HB VAL 9 -6.375 -0.604 -0.604 26 1HG1 VAL 9 2HG1 VAL 9 -4.277 -1.492 -1.492 27 2HG1 VAL 9 1HG1 VAL 9 -3.535 -1.428 -1.428 28 3HG1 VAL 9 3HG1 VAL 9 -4.264 0.021 0.021 29 1HG2 VAL 9 2HG2 VAL 9 -5.005 -2.670 -2.670 30 2HG2 VAL 9 1HG2 VAL 9 -6.422 -1.692 -1.692 31 3HG2 VAL 9 3HG2 VAL 9 -4.830 -0.940 -0.940 32 H LYS 10 H LYS 10 -4.922 -3.871 -3.871 33 HA LYS 10 HA LYS 10 -6.489 -2.782 -2.782 34 1HB LYS 10 2HB LYS 10 -4.164 -4.733 -4.733 35 2HB LYS 10 1HB LYS 10 -5.453 -4.601 -4.601 36 1HG LYS 10 2HG LYS 10 -6.777 -5.017 -5.017 37 2HG LYS 10 1HG LYS 10 -5.404 -6.125 -6.125 38 1HD LYS 10 2HD LYS 10 -6.230 -7.398 -7.398 39 2HD LYS 10 1HD LYS 10 -6.832 -5.995 -5.995 40 1HE LYS 10 2HE LYS 10 -8.416 -6.118 -6.118 41 2HE LYS 10 1HE LYS 10 -8.295 -7.791 -7.791 42 1HZ LYS 10 2HZ LYS 10 -8.799 -5.517 -5.517 43 2HZ LYS 10 1HZ LYS 10 -10.068 -6.357 -6.357 44 3HZ LYS 10 3HZ LYS 10 -9.019 -7.174 -7.174 45 HA PRO 11 HA PRO 11 -3.406 0.083 0.083 46 1HB PRO 11 2HB PRO 11 -2.777 -0.594 -0.594 47 2HB PRO 11 1HB PRO 11 -4.293 0.210 0.210 48 1HG PRO 11 2HG PRO 11 -3.768 -2.681 -2.681 49 2HG PRO 11 1HG PRO 11 -5.136 -1.674 -1.674 50 1HD PRO 11 2HD PRO 11 -5.318 -3.365 -3.365 51 2HD PRO 11 1HD PRO 11 -6.175 -1.811 -1.811 52 H GLU 12 H GLU 12 -2.581 -3.282 -3.282 53 HA GLU 12 HA GLU 12 0.266 -2.915 -2.915 54 1HB GLU 12 2HB GLU 12 0.246 -5.392 -5.392 55 2HB GLU 12 1HB GLU 12 -0.943 -4.887 -4.887 56 1HG GLU 12 2HG GLU 12 -2.749 -5.172 -5.172 57 2HG GLU 12 1HG GLU 12 -1.706 -5.125 -5.125 58 H ASP 13 H ASP 13 -1.973 -3.195 -3.195 59 HA ASP 13 HA ASP 13 0.117 -3.702 -3.702 60 1HB ASP 13 2HB ASP 13 -2.788 -3.691 -3.691 61 2HB ASP 13 1HB ASP 13 -2.270 -2.857 -2.857 62 H LYS 14 H LYS 14 -1.885 -1.028 -1.028 63 HA LYS 14 HA LYS 14 -0.935 0.908 0.908 64 1HB LYS 14 2HB LYS 14 -3.075 1.144 1.144 65 2HB LYS 14 1HB LYS 14 -2.300 1.084 1.084 66 1HG LYS 14 2HG LYS 14 -2.367 3.353 3.353 67 2HG LYS 14 1HG LYS 14 -0.947 3.151 3.151 68 1HD LYS 14 2HD LYS 14 -2.250 3.264 3.264 69 2HD LYS 14 1HD LYS 14 -3.761 3.110 3.110 70 1HE LYS 14 2HE LYS 14 -1.890 5.421 5.421 71 2HE LYS 14 1HE LYS 14 -3.087 5.496 5.496 72 1HZ LYS 14 3HZ LYS 14 -4.709 4.629 4.629 73 2HZ LYS 14 2HZ LYS 14 -3.549 5.106 5.106 74 3HZ LYS 14 1HZ LYS 14 -4.246 6.257 6.257 75 H ALA 15 H ALA 15 0.337 -0.469 -0.469 76 HA ALA 15 HA ALA 15 2.043 1.752 1.752 77 1HB ALA 15 3HB ALA 15 1.553 -1.098 -1.098 78 2HB ALA 15 2HB ALA 15 3.186 -0.521 -0.521 79 3HB ALA 15 1HB ALA 15 1.799 0.278 0.278 80 H LYS 16 H LYS 16 2.344 -1.122 -1.122 81 HA LYS 16 HA LYS 16 5.172 -0.650 -0.650 82 1HB LYS 16 2HB LYS 16 3.257 -2.406 -2.406 83 2HB LYS 16 1HB LYS 16 4.951 -2.709 -2.709 84 1HG LYS 16 2HG LYS 16 3.775 -2.465 -2.465 85 2HG LYS 16 1HG LYS 16 2.530 -3.293 -3.293 86 1HD LYS 16 2HD LYS 16 5.215 -4.354 -4.354 87 2HD LYS 16 1HD LYS 16 4.729 -4.510 -4.510 88 1HE LYS 16 2HE LYS 16 2.693 -5.688 -5.688 89 2HE LYS 16 1HE LYS 16 3.033 -5.416 -5.416 90 1HZ LYS 16 3HZ LYS 16 5.189 -6.572 -6.572 91 2HZ LYS 16 2HZ LYS 16 3.850 -7.584 -7.584 92 3HZ LYS 16 1HZ LYS 16 4.693 -6.925 -6.925 93 H TYR 17 H TYR 17 1.975 -0.235 -0.235 94 HA TYR 17 HA TYR 17 2.830 0.809 0.809 95 1HB TYR 17 2HB TYR 17 0.332 1.324 1.324 96 2HB TYR 17 1HB TYR 17 0.499 1.612 1.612 97 HD1 TYR 17 HD1 TYR 17 2.390 -1.252 -1.252 98 HD2 TYR 17 HD2 TYR 17 -1.699 0.056 0.056 99 HE1 TYR 17 HE1 TYR 17 1.662 -3.573 -3.573 100 HE2 TYR 17 HE2 TYR 17 -2.429 -2.265 -2.265 101 HH TYR 17 HH TYR 17 -0.206 -4.751 -4.751 102 H ASP 18 H ASP 18 2.592 2.006 2.006 103 HA ASP 18 HA ASP 18 2.678 4.858 4.858 104 1HB ASP 18 2HB ASP 18 1.441 4.313 4.313 105 2HB ASP 18 1HB ASP 18 2.727 3.270 3.270 106 H ALA 19 H ALA 19 4.910 2.290 2.290 107 HA ALA 19 HA ALA 19 7.161 4.116 4.116 108 1HB ALA 19 3HB ALA 19 6.720 1.142 1.142 109 2HB ALA 19 2HB ALA 19 8.356 1.797 1.797 110 3HB ALA 19 1HB ALA 19 7.266 2.029 2.029 111 H ILE 20 H ILE 20 5.676 2.375 2.375 112 HA ILE 20 HA ILE 20 7.842 2.786 2.786 113 HB ILE 20 HB ILE 20 5.020 1.697 1.697 114 1HG1 ILE 20 2HG1 ILE 20 7.461 0.259 0.259 115 2HG1 ILE 20 1HG1 ILE 20 7.244 0.479 0.479 116 1HG2 ILE 20 2HG2 ILE 20 5.491 2.949 2.949 117 2HG2 ILE 20 1HG2 ILE 20 6.764 1.770 1.770 118 3HG2 ILE 20 3HG2 ILE 20 5.087 1.245 1.245 119 1HD1 ILE 20 1HD1 ILE 20 5.081 -0.656 -0.656 120 2HD1 ILE 20 3HD1 ILE 20 6.264 -1.670 -1.670 121 3HD1 ILE 20 2HD1 ILE 20 5.143 -0.676 -0.676 122 H PHE 21 H PHE 21 4.798 4.227 4.227 123 HA PHE 21 HA PHE 21 4.563 6.100 6.100 124 1HB PHE 21 2HB PHE 21 2.526 5.721 5.721 125 2HB PHE 21 1HB PHE 21 3.263 5.445 5.445 126 HD1 PHE 21 HD2 PHE 21 4.190 7.480 7.480 127 HD2 PHE 21 HD1 PHE 21 1.537 7.801 7.801 128 HE1 PHE 21 HE2 PHE 21 3.598 9.786 9.786 129 HE2 PHE 21 HE1 PHE 21 0.943 10.107 10.107 130 HZ PHE 21 HZ PHE 21 1.979 11.100 11.100 131 H ASP 22 H ASP 22 5.808 6.190 6.190 132 HA ASP 22 HA ASP 22 6.640 9.000 9.000 133 1HB ASP 22 2HB ASP 22 5.868 8.282 8.282 134 2HB ASP 22 1HB ASP 22 6.794 6.780 6.780 135 H SER 23 H SER 23 7.847 6.151 6.151 136 HA SER 23 HA SER 23 10.710 6.689 6.689 137 1HB SER 23 2HB SER 23 10.524 4.421 4.421 138 2HB SER 23 1HB SER 23 8.978 4.527 4.527 139 HG SER 23 HG SER 23 11.518 4.257 4.257 140 H LEU 24 H LEU 24 8.325 7.729 7.729 141 HA LEU 24 HA LEU 24 10.223 8.277 8.277 142 1HB LEU 24 2HB LEU 24 7.281 8.829 8.829 143 2HB LEU 24 1HB LEU 24 8.337 8.217 8.217 144 HG LEU 24 HG LEU 24 7.513 6.620 6.620 145 1HD1 LEU 24 1HD1 LEU 24 5.575 7.184 7.184 146 2HD1 LEU 24 3HD1 LEU 24 6.434 6.496 6.496 147 3HD1 LEU 24 2HD1 LEU 24 5.951 5.462 5.462 148 1HD2 LEU 24 1HD2 LEU 24 9.189 6.149 6.149 149 2HD2 LEU 24 3HD2 LEU 24 9.402 5.541 5.541 150 3HD2 LEU 24 2HD2 LEU 24 8.200 4.809 4.809 151 H SER 25 H SER 25 8.758 9.642 9.642 152 HA SER 25 HA SER 25 8.965 11.862 11.862 153 1HB SER 25 2HB SER 25 10.453 13.202 13.202 154 2HB SER 25 1HB SER 25 10.685 11.830 11.830 155 HG SER 25 HG SER 25 10.068 13.990 13.990 156 HA PRO 26 HA PRO 26 4.768 12.312 12.312 157 1HB PRO 26 2HB PRO 26 3.645 12.888 12.888 158 2HB PRO 26 1HB PRO 26 3.971 11.230 11.230 159 1HG PRO 26 2HG PRO 26 5.501 12.940 12.940 160 2HG PRO 26 1HG PRO 26 5.184 11.200 11.200 161 1HD PRO 26 2HD PRO 26 7.554 12.299 12.299 162 2HD PRO 26 1HD PRO 26 6.962 10.705 10.705 163 H VAL 27 H VAL 27 3.568 14.205 14.205 164 HA VAL 27 HA VAL 27 4.801 16.753 16.753 165 HB VAL 27 HB VAL 27 3.366 16.182 16.182 166 1HG1 VAL 27 3HG1 VAL 27 4.973 18.575 18.575 167 2HG1 VAL 27 2HG1 VAL 27 4.275 18.388 18.388 168 3HG1 VAL 27 1HG1 VAL 27 3.221 18.529 18.529 169 1HG2 VAL 27 3HG2 VAL 27 6.031 15.564 15.564 170 2HG2 VAL 27 2HG2 VAL 27 5.327 15.366 15.366 171 3HG2 VAL 27 1HG2 VAL 27 6.123 16.878 16.878 172 H ASN 28 H ASN 28 3.377 17.212 17.212 173 HA ASN 28 HA ASN 28 1.357 17.962 17.962 174 1HB ASN 28 2HB ASN 28 1.365 19.156 19.156 175 2HB ASN 28 1HB ASN 28 0.238 17.904 17.904 176 1HD2 ASN 28 1HD2 ASN 28 -1.543 17.560 17.560 177 2HD2 ASN 28 2HD2 ASN 28 -2.277 19.012 19.012 178 H GLY 29 H GLY 29 2.016 15.078 15.078 179 1HA GLY 29 2HA GLY 29 0.887 13.084 13.084 180 2HA GLY 29 1HA GLY 29 -0.636 13.976 13.976 181 H PHE 30 H PHE 30 1.687 13.945 13.945 182 HA PHE 30 HA PHE 30 -0.038 12.156 12.156 183 1HB PHE 30 2HB PHE 30 0.572 15.064 15.064 184 2HB PHE 30 1HB PHE 30 -0.141 13.952 13.952 185 HD1 PHE 30 HD2 PHE 30 -2.316 12.827 12.827 186 HD2 PHE 30 HD1 PHE 30 -0.737 16.049 16.049 187 HE1 PHE 30 HE2 PHE 30 -4.564 13.204 13.204 188 HE2 PHE 30 HE1 PHE 30 -2.968 16.423 16.423 189 HZ PHE 30 HZ PHE 30 -4.888 15.003 15.003 190 H LEU 31 H LEU 31 1.009 11.520 11.520 191 HA LEU 31 HA LEU 31 3.929 12.154 12.154 192 1HB LEU 31 2HB LEU 31 2.552 9.460 9.460 193 2HB LEU 31 1HB LEU 31 4.208 9.688 9.688 194 HG LEU 31 HG LEU 31 3.472 10.820 10.820 195 1HD1 LEU 31 3HD1 LEU 31 4.043 7.890 7.890 196 2HD1 LEU 31 2HD1 LEU 31 4.025 8.639 8.639 197 3HD1 LEU 31 1HD1 LEU 31 2.544 8.558 8.558 198 1HD2 LEU 31 1HD2 LEU 31 5.862 10.029 10.029 199 2HD2 LEU 31 3HD2 LEU 31 5.679 11.276 11.276 200 3HD2 LEU 31 2HD2 LEU 31 5.919 9.590 9.590 201 H SER 32 H SER 32 4.455 12.722 12.722 202 HA SER 32 HA SER 32 2.459 12.754 12.754 203 1HB SER 32 2HB SER 32 4.792 13.354 13.354 204 2HB SER 32 1HB SER 32 3.918 14.505 14.505 205 HG SER 32 HG SER 32 5.430 14.356 14.356 206 H GLY 33 H GLY 33 2.230 11.360 11.360 207 1HA GLY 33 2HA GLY 33 2.954 8.691 8.691 208 2HA GLY 33 1HA GLY 33 2.717 9.554 9.554 209 H ASP 34 H ASP 34 4.930 11.416 11.416 210 HA ASP 34 HA ASP 34 7.065 10.041 10.041 211 1HB ASP 34 2HB ASP 34 6.600 12.529 12.529 212 2HB ASP 34 1HB ASP 34 7.248 12.451 12.451 213 H LYS 35 H LYS 35 6.052 9.994 9.994 214 HA LYS 35 HA LYS 35 8.680 8.853 8.853 215 1HB LYS 35 2HB LYS 35 6.488 9.709 9.709 216 2HB LYS 35 1HB LYS 35 8.237 9.774 9.774 217 1HG LYS 35 2HG LYS 35 8.413 11.613 11.613 218 2HG LYS 35 1HG LYS 35 6.683 11.513 11.513 219 1HD LYS 35 2HD LYS 35 7.300 13.339 13.339 220 2HD LYS 35 1HD LYS 35 6.147 12.171 12.171 221 1HE LYS 35 2HE LYS 35 7.879 12.599 12.599 222 2HE LYS 35 1HE LYS 35 8.081 10.948 10.948 223 1HZ LYS 35 2HZ LYS 35 9.409 13.225 13.225 224 2HZ LYS 35 1HZ LYS 35 10.124 12.490 12.490 225 3HZ LYS 35 3HZ LYS 35 9.824 11.579 11.579 226 H VAL 36 H VAL 36 5.194 8.412 8.412 227 HA VAL 36 HA VAL 36 5.367 5.746 5.746 228 HB VAL 36 HB VAL 36 3.091 7.379 7.379 229 1HG1 VAL 36 1HG1 VAL 36 3.265 4.689 4.689 230 2HG1 VAL 36 3HG1 VAL 36 1.942 5.717 5.717 231 3HG1 VAL 36 2HG1 VAL 36 2.100 5.319 5.319 232 1HG2 VAL 36 1HG2 VAL 36 4.098 6.996 6.996 233 2HG2 VAL 36 3HG2 VAL 36 4.147 8.490 8.490 234 3HG2 VAL 36 2HG2 VAL 36 2.598 7.821 7.821 235 H LYS 37 H LYS 37 4.359 7.171 7.171 236 HA LYS 37 HA LYS 37 3.552 4.909 4.909 237 1HB LYS 37 2HB LYS 37 3.770 7.365 7.365 238 2HB LYS 37 1HB LYS 37 5.432 6.975 6.975 239 1HG LYS 37 2HG LYS 37 4.248 4.941 4.941 240 2HG LYS 37 1HG LYS 37 2.879 6.052 6.052 241 1HD LYS 37 2HD LYS 37 3.793 7.087 7.087 242 2HD LYS 37 1HD LYS 37 5.117 7.603 7.603 243 1HE LYS 37 2HE LYS 37 6.349 5.527 5.527 244 2HE LYS 37 1HE LYS 37 5.014 4.976 4.976 245 1HZ LYS 37 3HZ LYS 37 6.064 7.668 7.668 246 2HZ LYS 37 2HZ LYS 37 7.013 6.363 6.363 247 3HZ LYS 37 1HZ LYS 37 5.429 6.558 6.558 248 HA PRO 38 HA PRO 38 8.121 3.773 3.773 249 1HB PRO 38 2HB PRO 38 10.023 4.784 4.784 250 2HB PRO 38 1HB PRO 38 9.563 5.579 5.579 251 1HG PRO 38 2HG PRO 38 8.714 6.185 6.185 252 2HG PRO 38 1HG PRO 38 9.118 7.294 7.294 253 1HD PRO 38 2HD PRO 38 6.578 6.744 6.744 254 2HD PRO 38 1HD PRO 38 7.038 7.129 7.129 255 H VAL 39 H VAL 39 7.144 4.409 4.409 256 HA VAL 39 HA VAL 39 8.469 2.218 2.218 257 HB VAL 39 HB VAL 39 6.280 4.175 4.175 258 1HG1 VAL 39 3HG1 VAL 39 6.455 1.501 1.501 259 2HG1 VAL 39 2HG1 VAL 39 6.026 2.911 2.911 260 3HG1 VAL 39 1HG1 VAL 39 5.031 2.455 2.455 261 1HG2 VAL 39 3HG2 VAL 39 8.963 3.887 3.887 262 2HG2 VAL 39 2HG2 VAL 39 7.835 5.038 5.038 263 3HG2 VAL 39 1HG2 VAL 39 8.112 3.479 3.479 264 H LEU 40 H LEU 40 5.433 2.500 2.500 265 HA LEU 40 HA LEU 40 4.498 -0.166 -0.166 266 1HB LEU 40 2HB LEU 40 3.597 1.628 1.628 267 2HB LEU 40 1HB LEU 40 2.662 0.359 0.359 268 HG LEU 40 HG LEU 40 3.584 2.971 2.971 269 1HD1 LEU 40 1HD1 LEU 40 0.948 1.755 1.755 270 2HD1 LEU 40 3HD1 LEU 40 1.018 2.952 2.952 271 3HD1 LEU 40 2HD1 LEU 40 1.562 3.376 3.376 272 1HD2 LEU 40 3HD2 LEU 40 2.349 0.539 0.539 273 2HD2 LEU 40 2HD2 LEU 40 3.936 1.230 1.230 274 3HD2 LEU 40 1HD2 LEU 40 2.473 2.121 2.121 275 H LEU 41 H LEU 41 6.695 1.132 1.132 276 HA LEU 41 HA LEU 41 6.437 -0.937 -0.937 277 1HB LEU 41 2HB LEU 41 8.395 1.241 1.241 278 2HB LEU 41 1HB LEU 41 8.762 0.092 0.092 279 HG LEU 41 HG LEU 41 6.204 1.704 1.704 280 1HD1 LEU 41 3HD1 LEU 41 8.702 2.789 2.789 281 2HD1 LEU 41 2HD1 LEU 41 8.266 2.383 2.383 282 3HD1 LEU 41 1HD1 LEU 41 7.227 3.446 3.446 283 1HD2 LEU 41 3HD2 LEU 41 6.647 -0.544 -0.544 284 2HD2 LEU 41 2HD2 LEU 41 5.760 0.798 0.798 285 3HD2 LEU 41 1HD2 LEU 41 7.468 0.564 0.564 286 H ASN 42 H ASN 42 8.139 -0.476 -0.476 287 HA ASN 42 HA ASN 42 10.202 -2.430 -2.430 288 1HB ASN 42 2HB ASN 42 8.662 -1.422 -1.422 289 2HB ASN 42 1HB ASN 42 10.163 -2.346 -2.346 290 1HD2 ASN 42 1HD2 ASN 42 8.776 0.762 0.762 291 2HD2 ASN 42 2HD2 ASN 42 10.255 1.586 1.586 292 H SER 43 H SER 43 6.787 -2.762 -2.762 293 HA SER 43 HA SER 43 6.786 -5.391 -5.391 294 1HB SER 43 2HB SER 43 4.451 -4.685 -4.685 295 2HB SER 43 1HB SER 43 4.584 -4.901 -4.901 296 HG SER 43 HG SER 43 4.353 -2.646 -2.646 297 H LYS 44 H LYS 44 7.846 -4.459 -4.459 298 HA LYS 44 HA LYS 44 8.318 -5.693 -5.693 299 1HB LYS 44 2HB LYS 44 8.766 -7.389 -7.389 300 2HB LYS 44 1HB LYS 44 7.173 -8.049 -8.049 301 1HG LYS 44 2HG LYS 44 7.831 -8.526 -8.526 302 2HG LYS 44 1HG LYS 44 9.373 -7.699 -7.699 303 1HD LYS 44 2HD LYS 44 9.394 -9.518 -9.518 304 2HD LYS 44 1HD LYS 44 8.570 -10.419 -10.419 305 1HE LYS 44 2HE LYS 44 10.851 -8.972 -8.972 306 2HE LYS 44 1HE LYS 44 11.343 -10.058 -10.058 307 1HZ LYS 44 2HZ LYS 44 9.330 -11.092 -11.092 308 2HZ LYS 44 1HZ LYS 44 10.884 -10.906 -10.906 309 3HZ LYS 44 3HZ LYS 44 10.657 -11.880 -11.880 310 H LEU 45 H LEU 45 5.403 -4.822 -4.822 311 HA LEU 45 HA LEU 45 3.707 -6.500 -6.500 312 1HB LEU 45 2HB LEU 45 3.385 -4.235 -4.235 313 2HB LEU 45 1HB LEU 45 2.066 -4.606 -4.606 314 HG LEU 45 HG LEU 45 3.378 -6.563 -6.563 315 1HD1 LEU 45 3HD1 LEU 45 1.338 -4.630 -4.630 316 2HD1 LEU 45 2HD1 LEU 45 0.543 -6.203 -6.203 317 3HD1 LEU 45 1HD1 LEU 45 1.833 -5.912 -5.912 318 1HD2 LEU 45 1HD2 LEU 45 1.980 -7.011 -7.011 319 2HD2 LEU 45 3HD2 LEU 45 2.421 -8.208 -8.208 320 3HD2 LEU 45 2HD2 LEU 45 0.856 -7.400 -7.400 321 HA PRO 46 HA PRO 46 3.945 -3.894 -3.894 322 1HB PRO 46 2HB PRO 46 1.432 -4.202 -4.202 323 2HB PRO 46 1HB PRO 46 2.681 -5.459 -5.459 324 1HG PRO 46 2HG PRO 46 0.335 -5.233 -5.233 325 2HG PRO 46 1HG PRO 46 1.096 -6.669 -6.669 326 1HD PRO 46 2HD PRO 46 1.442 -5.820 -5.820 327 2HD PRO 46 1HD PRO 46 2.572 -6.869 -6.869 328 H VAL 47 H VAL 47 3.125 -1.874 -1.874 329 HA VAL 47 HA VAL 47 2.434 0.115 0.115 330 HB VAL 47 HB VAL 47 2.276 -0.092 -0.092 331 1HG1 VAL 47 1HG1 VAL 47 1.703 2.261 2.261 332 2HG1 VAL 47 3HG1 VAL 47 2.178 2.461 2.461 333 3HG1 VAL 47 2HG1 VAL 47 0.685 1.613 1.613 334 1HG2 VAL 47 3HG2 VAL 47 4.349 0.379 0.379 335 2HG2 VAL 47 2HG2 VAL 47 4.488 0.296 0.296 336 3HG2 VAL 47 1HG2 VAL 47 4.135 1.836 1.836 337 H ASP 48 H ASP 48 0.397 -2.247 -2.247 338 HA ASP 48 HA ASP 48 -2.052 -0.688 -0.688 339 1HB ASP 48 2HB ASP 48 -1.097 -3.255 -3.255 340 2HB ASP 48 1HB ASP 48 -2.427 -3.502 -3.502 341 H ILE 49 H ILE 49 -0.495 -2.924 -2.924 342 HA ILE 49 HA ILE 49 -2.516 -2.924 -2.924 343 HB ILE 49 HB ILE 49 0.494 -3.105 -3.105 344 1HG1 ILE 49 2HG1 ILE 49 -0.071 -4.614 -4.614 345 2HG1 ILE 49 1HG1 ILE 49 0.060 -5.593 -5.593 346 1HG2 ILE 49 3HG2 ILE 49 -1.864 -3.740 -3.740 347 2HG2 ILE 49 2HG2 ILE 49 -0.570 -4.939 -4.939 348 3HG2 ILE 49 1HG2 ILE 49 -0.233 -3.274 -3.274 349 1HD1 ILE 49 1HD1 ILE 49 -2.547 -4.498 -4.498 350 2HD1 ILE 49 3HD1 ILE 49 -1.966 -6.144 -6.144 351 3HD1 ILE 49 2HD1 ILE 49 -2.360 -5.590 -5.590 352 H LEU 50 H LEU 50 0.326 -0.918 -0.918 353 HA LEU 50 HA LEU 50 0.061 0.790 0.790 354 1HB LEU 50 2HB LEU 50 1.274 1.375 1.375 355 2HB LEU 50 1HB LEU 50 1.724 2.114 2.114 356 HG LEU 50 HG LEU 50 2.192 -0.726 -0.726 357 1HD1 LEU 50 2HD1 LEU 50 3.835 1.158 1.158 358 2HD1 LEU 50 1HD1 LEU 50 4.072 1.281 1.281 359 3HD1 LEU 50 3HD1 LEU 50 4.496 -0.208 -0.208 360 1HD2 LEU 50 3HD2 LEU 50 1.744 0.315 0.315 361 2HD2 LEU 50 2HD2 LEU 50 1.703 -1.346 -1.346 362 3HD2 LEU 50 1HD2 LEU 50 3.245 -0.591 -0.591 363 H GLY 51 H GLY 51 -1.539 0.647 0.647 364 1HA GLY 51 2HA GLY 51 -2.531 3.412 3.412 365 2HA GLY 51 1HA GLY 51 -2.991 2.213 2.213 366 H ARG 52 H ARG 52 -3.452 0.229 0.229 367 HA ARG 52 HA ARG 52 -6.223 1.087 1.087 368 1HB ARG 52 2HB ARG 52 -4.876 -1.300 -1.300 369 2HB ARG 52 1HB ARG 52 -5.592 -1.589 -1.589 370 1HG ARG 52 2HG ARG 52 -7.713 -0.470 -0.470 371 2HG ARG 52 1HG ARG 52 -6.957 -0.799 -0.799 372 1HD ARG 52 2HD ARG 52 -6.884 -3.084 -3.084 373 2HD ARG 52 1HD ARG 52 -8.516 -2.608 -2.608 374 HE ARG 52 HE ARG 52 -7.945 -3.508 -3.508 375 1HH1 ARG 52 1HH2 ARG 52 -5.445 -4.803 -4.803 376 2HH1 ARG 52 2HH2 ARG 52 -4.246 -4.002 -4.002 377 1HH2 ARG 52 2HH1 ARG 52 -6.299 -1.320 -1.320 378 2HH2 ARG 52 1HH1 ARG 52 -4.731 -2.025 -2.025 379 H VAL 53 H VAL 53 -3.586 -0.712 -0.712 380 HA VAL 53 HA VAL 53 -4.500 -0.568 -0.568 381 HB VAL 53 HB VAL 53 -1.727 -0.330 -0.330 382 1HG1 VAL 53 3HG1 VAL 53 -2.272 0.466 0.466 383 2HG1 VAL 53 2HG1 VAL 53 -2.008 -1.259 -1.259 384 3HG1 VAL 53 1HG1 VAL 53 -0.748 -0.272 -0.272 385 1HG2 VAL 53 2HG2 VAL 53 -3.464 -2.428 -2.428 386 2HG2 VAL 53 1HG2 VAL 53 -1.712 -2.614 -2.614 387 3HG2 VAL 53 3HG2 VAL 53 -2.615 -2.704 -2.704 388 H TRP 54 H TRP 54 -2.918 1.977 1.977 389 HA TRP 54 HA TRP 54 -2.711 3.868 3.868 390 1HB TRP 54 2HB TRP 54 -1.278 4.086 4.086 391 2HB TRP 54 1HB TRP 54 -2.666 4.113 4.113 392 HD1 TRP 54 HD1 TRP 54 -4.383 6.255 6.255 393 HE1 TRP 54 HE1 TRP 54 -3.847 8.700 8.700 394 HE3 TRP 54 HE3 TRP 54 0.270 5.635 5.635 395 HZ2 TRP 54 HZ2 TRP 54 -1.707 10.193 10.193 396 HZ3 TRP 54 HZ3 TRP 54 1.537 7.583 7.583 397 HH2 TRP 54 HH2 TRP 54 0.554 9.858 9.858 398 H GLU 55 H GLU 55 -4.816 3.854 3.854 399 HA GLU 55 HA GLU 55 -6.524 5.938 5.938 400 1HB GLU 55 2HB GLU 55 -7.049 3.204 3.204 401 2HB GLU 55 1HB GLU 55 -8.253 4.492 4.492 402 1HG GLU 55 2HG GLU 55 -5.451 4.771 4.771 403 2HG GLU 55 1HG GLU 55 -6.867 4.380 4.380 404 H LEU 56 H LEU 56 -6.829 2.606 2.606 405 HA LEU 56 HA LEU 56 -9.103 3.346 3.346 406 1HB LEU 56 2HB LEU 56 -7.369 0.859 0.859 407 2HB LEU 56 1HB LEU 56 -9.002 0.993 0.993 408 HG LEU 56 HG LEU 56 -8.729 1.831 1.831 409 1HD1 LEU 56 2HD1 LEU 56 -7.153 -0.150 -0.150 410 2HD1 LEU 56 1HD1 LEU 56 -8.565 -1.111 -1.111 411 3HD1 LEU 56 3HD1 LEU 56 -8.466 -0.366 -0.366 412 1HD2 LEU 56 1HD2 LEU 56 -10.778 1.120 1.120 413 2HD2 LEU 56 3HD2 LEU 56 -10.941 1.265 1.265 414 3HD2 LEU 56 2HD2 LEU 56 -10.622 -0.309 -0.309 415 H SER 57 H SER 57 -5.679 3.431 3.431 416 HA SER 57 HA SER 57 -5.600 3.332 3.332 417 1HB SER 57 2HB SER 57 -3.716 2.378 2.378 418 2HB SER 57 1HB SER 57 -3.663 3.615 3.615 419 HG SER 57 HG SER 57 -3.202 4.100 4.100 420 H ASP 58 H ASP 58 -5.711 5.673 5.673 421 HA ASP 58 HA ASP 58 -4.913 7.927 7.927 422 1HB ASP 58 2HB ASP 58 -4.602 7.466 7.466 423 2HB ASP 58 1HB ASP 58 -6.216 8.171 8.171 424 H ILE 59 H ILE 59 -6.620 7.583 7.583 425 HA ILE 59 HA ILE 59 -9.367 7.521 7.521 426 HB ILE 59 HB ILE 59 -7.687 9.079 9.079 427 1HG1 ILE 59 2HG1 ILE 59 -7.270 6.605 6.605 428 2HG1 ILE 59 1HG1 ILE 59 -7.901 7.100 7.100 429 1HG2 ILE 59 2HG2 ILE 59 -10.124 9.749 9.749 430 2HG2 ILE 59 1HG2 ILE 59 -10.529 8.096 8.096 431 3HG2 ILE 59 3HG2 ILE 59 -9.611 9.120 9.120 432 1HD1 ILE 59 1HD1 ILE 59 -9.644 6.077 6.077 433 2HD1 ILE 59 3HD1 ILE 59 -9.019 5.054 5.054 434 3HD1 ILE 59 2HD1 ILE 59 -10.127 6.374 6.374 435 H ASP 60 H ASP 60 -7.194 10.286 10.286 436 HA ASP 60 HA ASP 60 -9.579 12.014 12.014 437 1HB ASP 60 2HB ASP 60 -8.185 13.820 13.820 438 2HB ASP 60 1HB ASP 60 -7.633 12.531 12.531 439 H HIS 61 H HIS 61 -7.044 10.354 10.354 440 HA HIS 61 HA HIS 61 -6.446 10.351 10.351 441 1HB HIS 61 2HB HIS 61 -9.152 11.699 11.699 442 2HB HIS 61 1HB HIS 61 -8.339 10.710 10.710 443 HD1 HIS 61 HD1 HIS 61 -8.625 8.193 8.193 444 HD2 HIS 61 HD2 HIS 61 -10.099 10.169 10.169 445 HE1 HIS 61 HE1 HIS 61 -9.854 6.454 6.454 446 H ASP 62 H ASP 62 -5.501 12.573 12.573 447 HA ASP 62 HA ASP 62 -5.874 14.930 14.930 448 1HB ASP 62 2HB ASP 62 -5.234 16.178 16.178 449 2HB ASP 62 1HB ASP 62 -6.074 14.806 14.806 450 H GLY 63 H GLY 63 -3.721 12.351 12.351 451 1HA GLY 63 2HA GLY 63 -1.899 12.164 12.164 452 2HA GLY 63 1HA GLY 63 -1.532 13.855 13.855 453 H MET 64 H MET 64 -2.431 12.244 12.244 454 HA MET 64 HA MET 64 0.339 11.372 11.372 455 1HB MET 64 2HB MET 64 -1.055 13.101 13.101 456 2HB MET 64 1HB MET 64 0.670 12.934 12.934 457 1HG MET 64 2HG MET 64 0.162 14.089 14.089 458 2HG MET 64 1HG MET 64 -1.374 14.542 14.542 459 1HE MET 64 1HE MET 64 2.156 13.946 13.946 460 2HE MET 64 3HE MET 64 2.557 15.321 15.321 461 3HE MET 64 2HE MET 64 2.769 15.440 15.440 462 H LEU 65 H LEU 65 0.404 10.105 10.105 463 HA LEU 65 HA LEU 65 -2.266 8.871 8.871 464 1HB LEU 65 2HB LEU 65 0.559 7.835 7.835 465 2HB LEU 65 1HB LEU 65 -0.599 6.940 6.940 466 HG LEU 65 HG LEU 65 -0.912 7.687 7.687 467 1HD1 LEU 65 1HD1 LEU 65 0.170 5.389 5.389 468 2HD1 LEU 65 3HD1 LEU 65 -1.206 4.926 4.926 469 3HD1 LEU 65 2HD1 LEU 65 0.182 5.735 5.735 470 1HD2 LEU 65 2HD2 LEU 65 -2.783 6.427 6.427 471 2HD2 LEU 65 1HD2 LEU 65 -3.085 7.803 7.803 472 3HD2 LEU 65 3HD2 LEU 65 -2.979 6.178 6.178 473 H ASP 66 H ASP 66 -2.809 9.908 9.908 474 HA ASP 66 HA ASP 66 -0.833 10.778 10.778 475 1HB ASP 66 2HB ASP 66 -2.814 11.939 11.939 476 2HB ASP 66 1HB ASP 66 -3.799 10.531 10.531 477 H ARG 67 H ARG 67 -1.003 9.955 9.955 478 HA ARG 67 HA ARG 67 0.074 7.407 7.407 479 1HB ARG 67 2HB ARG 67 -0.463 7.688 7.688 480 2HB ARG 67 1HB ARG 67 -0.123 9.284 9.284 481 1HG ARG 67 2HG ARG 67 -2.639 9.491 9.491 482 2HG ARG 67 1HG ARG 67 -2.820 8.066 8.066 483 1HD ARG 67 2HD ARG 67 -1.584 10.726 10.726 484 2HD ARG 67 1HD ARG 67 -3.077 10.005 10.005 485 HE ARG 67 HE ARG 67 -0.354 8.820 8.820 486 1HH1 ARG 67 1HH2 ARG 67 -3.026 10.148 10.148 487 2HH1 ARG 67 2HH2 ARG 67 -3.215 8.887 8.887 488 1HH2 ARG 67 2HH1 ARG 67 -0.861 6.805 6.805 489 2HH2 ARG 67 1HH1 ARG 67 -1.993 6.998 6.998 490 H ASP 68 H ASP 68 -3.376 8.272 8.272 491 HA ASP 68 HA ASP 68 -4.193 5.495 5.495 492 1HB ASP 68 2HB ASP 68 -5.478 8.180 8.180 493 2HB ASP 68 1HB ASP 68 -6.476 6.730 6.730 494 H GLU 69 H GLU 69 -3.962 7.693 7.693 495 HA GLU 69 HA GLU 69 -5.435 5.967 5.967 496 1HB GLU 69 2HB GLU 69 -3.450 8.174 8.174 497 2HB GLU 69 1HB GLU 69 -4.819 7.661 7.661 498 1HG GLU 69 2HG GLU 69 -6.324 8.339 8.339 499 2HG GLU 69 1HG GLU 69 -4.912 9.073 9.073 500 H PHE 70 H PHE 70 -2.020 6.728 6.728 501 HA PHE 70 HA PHE 70 -0.894 5.009 5.009 502 1HB PHE 70 2HB PHE 70 0.236 6.873 6.873 503 2HB PHE 70 1HB PHE 70 0.174 5.903 5.903 504 HD1 PHE 70 HD2 PHE 70 1.565 3.920 3.920 505 HD2 PHE 70 HD1 PHE 70 1.727 6.273 6.273 506 HE1 PHE 70 HE2 PHE 70 3.659 2.770 2.770 507 HE2 PHE 70 HE1 PHE 70 3.822 5.123 5.123 508 HZ PHE 70 HZ PHE 70 4.784 3.373 3.373 509 H ALA 71 H ALA 71 -2.115 4.474 4.474 510 HA ALA 71 HA ALA 71 -0.916 1.938 1.938 511 1HB ALA 71 3HB ALA 71 -2.341 3.638 3.638 512 2HB ALA 71 2HB ALA 71 -3.697 2.659 2.659 513 3HB ALA 71 1HB ALA 71 -2.404 1.917 1.917 514 H VAL 72 H VAL 72 -4.098 2.728 2.728 515 HA VAL 72 HA VAL 72 -4.999 0.096 0.096 516 HB VAL 72 HB VAL 72 -5.410 2.617 2.617 517 1HG1 VAL 72 1HG1 VAL 72 -6.265 0.127 0.127 518 2HG1 VAL 72 3HG1 VAL 72 -7.571 0.629 0.629 519 3HG1 VAL 72 2HG1 VAL 72 -7.201 1.577 1.577 520 1HG2 VAL 72 3HG2 VAL 72 -5.847 2.365 2.365 521 2HG2 VAL 72 2HG2 VAL 72 -6.778 3.431 3.431 522 3HG2 VAL 72 1HG2 VAL 72 -7.396 1.830 1.830 523 H ALA 73 H ALA 73 -2.581 2.015 2.015 524 HA ALA 73 HA ALA 73 -2.565 0.335 0.335 525 1HB ALA 73 3HB ALA 73 -1.546 2.878 2.878 526 2HB ALA 73 2HB ALA 73 -0.283 1.966 1.966 527 3HB ALA 73 1HB ALA 73 -1.799 2.332 2.332 528 H MET 74 H MET 74 -1.136 0.089 0.089 529 HA MET 74 HA MET 74 1.307 -1.244 -1.244 530 1HB MET 74 2HB MET 74 0.312 -1.109 -1.109 531 2HB MET 74 1HB MET 74 1.976 -1.211 -1.211 532 1HG MET 74 2HG MET 74 0.135 1.157 1.157 533 2HG MET 74 1HG MET 74 1.819 1.048 1.048 534 1HE MET 74 1HE MET 74 3.078 -0.428 -0.428 535 2HE MET 74 3HE MET 74 2.929 -0.207 -0.207 536 3HE MET 74 2HE MET 74 3.939 0.883 0.883 537 H PHE 75 H PHE 75 -1.732 -2.174 -2.174 538 HA PHE 75 HA PHE 75 -0.936 -4.993 -4.993 539 1HB PHE 75 2HB PHE 75 -2.943 -5.269 -5.269 540 2HB PHE 75 1HB PHE 75 -2.597 -3.573 -3.573 541 HD1 PHE 75 HD1 PHE 75 -4.629 -5.910 -5.910 542 HD2 PHE 75 HD2 PHE 75 -3.938 -1.809 -1.809 543 HE1 PHE 75 HE1 PHE 75 -6.775 -5.277 -5.277 544 HE2 PHE 75 HE2 PHE 75 -6.081 -1.172 -1.172 545 HZ PHE 75 HZ PHE 75 -7.501 -2.910 -2.910 546 H LEU 76 H LEU 76 -2.367 -2.804 -2.804 547 HA LEU 76 HA LEU 76 -3.669 -4.809 -4.809 548 1HB LEU 76 2HB LEU 76 -3.132 -1.876 -1.876 549 2HB LEU 76 1HB LEU 76 -3.476 -2.606 -2.606 550 HG LEU 76 HG LEU 76 -5.224 -3.058 -3.058 551 1HD1 LEU 76 1HD1 LEU 76 -4.877 -0.611 -0.611 552 2HD1 LEU 76 3HD1 LEU 76 -6.233 -1.293 -1.293 553 3HD1 LEU 76 2HD1 LEU 76 -6.337 -1.116 -1.116 554 1HD2 LEU 76 3HD2 LEU 76 -5.172 -4.565 -4.565 555 2HD2 LEU 76 2HD2 LEU 76 -6.728 -4.039 -4.039 556 3HD2 LEU 76 1HD2 LEU 76 -6.024 -3.214 -3.214 557 H VAL 77 H VAL 77 -0.523 -3.337 -3.337 558 HA VAL 77 HA VAL 77 0.403 -4.325 -4.325 559 HB VAL 77 HB VAL 77 1.650 -2.761 -2.761 560 1HG1 VAL 77 1HG1 VAL 77 2.839 -3.985 -3.985 561 2HG1 VAL 77 3HG1 VAL 77 3.313 -2.321 -2.321 562 3HG1 VAL 77 2HG1 VAL 77 3.595 -3.590 -3.590 563 1HG2 VAL 77 1HG2 VAL 77 -0.156 -1.885 -1.885 564 2HG2 VAL 77 3HG2 VAL 77 1.163 -0.864 -0.864 565 3HG2 VAL 77 2HG2 VAL 77 1.295 -1.690 -1.690 566 H TYR 78 H TYR 78 0.585 -5.169 -5.169 567 HA TYR 78 HA TYR 78 2.746 -7.122 -7.122 568 1HB TYR 78 2HB TYR 78 1.328 -5.845 -5.845 569 2HB TYR 78 1HB TYR 78 1.735 -7.541 -7.541 570 HD1 TYR 78 HD2 TYR 78 4.183 -8.081 -8.081 571 HD2 TYR 78 HD1 TYR 78 2.929 -4.405 -4.405 572 HE1 TYR 78 HE2 TYR 78 6.558 -7.445 -7.445 573 HE2 TYR 78 HE1 TYR 78 5.297 -3.766 -3.766 574 HH TYR 78 HH TYR 78 7.644 -5.443 -5.443 575 H CYS 79 H CYS 79 -0.757 -7.062 -7.062 576 HA CYS 79 HA CYS 79 -0.978 -9.984 -9.984 577 1HB CYS 79 2HB CYS 79 -2.534 -7.998 -7.998 578 2HB CYS 79 1HB CYS 79 -3.206 -8.128 -8.128 579 HG CYS 79 HG CYS 79 -4.509 -10.037 -10.037 580 H ALA 80 H ALA 80 -0.537 -7.659 -7.659 581 HA ALA 80 HA ALA 80 -1.816 -9.255 -9.255 582 1HB ALA 80 2HB ALA 80 -1.656 -6.710 -6.710 583 2HB ALA 80 1HB ALA 80 0.063 -6.885 -6.885 584 3HB ALA 80 3HB ALA 80 -1.136 -7.399 -7.399 585 H LEU 81 H LEU 81 1.072 -9.323 -9.323 586 HA LEU 81 HA LEU 81 2.780 -10.273 -10.273 587 1HB LEU 81 2HB LEU 81 3.376 -10.278 -10.278 588 2HB LEU 81 1HB LEU 81 4.502 -10.059 -10.059 589 HG LEU 81 HG LEU 81 2.550 -8.105 -8.105 590 1HD1 LEU 81 2HD1 LEU 81 5.275 -8.472 -8.472 591 2HD1 LEU 81 1HD1 LEU 81 5.152 -7.222 -7.222 592 3HD1 LEU 81 3HD1 LEU 81 4.426 -6.966 -6.966 593 1HD2 LEU 81 1HD2 LEU 81 3.445 -8.323 -8.323 594 2HD2 LEU 81 3HD2 LEU 81 1.908 -7.748 -7.748 595 3HD2 LEU 81 2HD2 LEU 81 3.335 -6.716 -6.716 596 H GLU 82 H GLU 82 1.538 -11.513 -11.513 597 HA GLU 82 HA GLU 82 2.478 -14.190 -14.190 598 1HB GLU 82 2HB GLU 82 0.921 -14.686 -14.686 599 2HB GLU 82 1HB GLU 82 2.182 -13.495 -13.495 600 1HG GLU 82 2HG GLU 82 0.568 -12.079 -12.079 601 2HG GLU 82 1HG GLU 82 0.011 -12.016 -12.016 602 H LYS 83 H LYS 83 -0.811 -12.767 -12.767 603 HA LYS 83 HA LYS 83 -1.571 -14.187 -14.187 604 1HB LYS 83 2HB LYS 83 -1.193 -15.885 -15.885 605 2HB LYS 83 1HB LYS 83 -2.919 -15.561 -15.561 606 1HG LYS 83 2HG LYS 83 -3.142 -17.177 -17.177 607 2HG LYS 83 1HG LYS 83 -2.611 -15.932 -15.932 608 1HD LYS 83 2HD LYS 83 -0.348 -16.680 -16.680 609 2HD LYS 83 1HD LYS 83 -0.659 -17.697 -17.697 610 1HE LYS 83 2HE LYS 83 -1.658 -19.367 -19.367 611 2HE LYS 83 1HE LYS 83 -2.260 -18.227 -18.227 612 1HZ LYS 83 3HZ LYS 83 0.627 -18.354 -18.354 613 2HZ LYS 83 2HZ LYS 83 -0.095 -19.727 -19.727 614 3HZ LYS 83 1HZ LYS 83 -0.299 -18.199 -18.199 615 H GLU 84 H GLU 84 -2.505 -11.887 -11.887 616 HA GLU 84 HA GLU 84 -5.333 -11.992 -11.992 617 1HB GLU 84 2HB GLU 84 -3.722 -11.350 -11.350 618 2HB GLU 84 1HB GLU 84 -3.870 -9.748 -9.748 619 1HG GLU 84 2HG GLU 84 -5.676 -9.837 -9.837 620 2HG GLU 84 1HG GLU 84 -6.416 -10.228 -10.228 621 HA PRO 85 HA PRO 85 -4.906 -9.207 -9.207 622 1HB PRO 85 2HB PRO 85 -7.545 -9.313 -9.313 623 2HB PRO 85 1HB PRO 85 -6.383 -10.588 -10.588 624 1HG PRO 85 2HG PRO 85 -8.432 -10.527 -10.527 625 2HG PRO 85 1HG PRO 85 -7.894 -11.876 -11.876 626 1HD PRO 85 2HD PRO 85 -7.097 -11.489 -11.489 627 2HD PRO 85 1HD PRO 85 -6.157 -12.389 -12.389 628 H VAL 86 H VAL 86 -5.851 -7.011 -7.011 629 HA VAL 86 HA VAL 86 -7.108 -5.863 -5.863 630 HB VAL 86 HB VAL 86 -5.257 -4.595 -4.595 631 1HG1 VAL 86 1HG1 VAL 86 -6.930 -3.145 -3.145 632 2HG1 VAL 86 3HG1 VAL 86 -5.959 -3.562 -3.562 633 3HG1 VAL 86 2HG1 VAL 86 -5.227 -2.688 -2.688 634 1HG2 VAL 86 2HG2 VAL 86 -4.813 -5.974 -5.974 635 2HG2 VAL 86 1HG2 VAL 86 -3.861 -6.072 -6.072 636 3HG2 VAL 86 3HG2 VAL 86 -3.760 -4.637 -4.637 637 HA PRO 87 HA PRO 87 -10.257 -4.679 -4.679 638 1HB PRO 87 2HB PRO 87 -12.135 -4.053 -4.053 639 2HB PRO 87 1HB PRO 87 -11.742 -5.724 -5.724 640 1HG PRO 87 2HG PRO 87 -11.114 -4.247 -4.247 641 2HG PRO 87 1HG PRO 87 -11.147 -5.990 -5.990 642 1HD PRO 87 2HD PRO 87 -8.864 -4.251 -4.251 643 2HD PRO 87 1HD PRO 87 -8.899 -6.009 -6.009 644 H MET 88 H MET 88 -11.004 -2.592 -2.592 645 HA MET 88 HA MET 88 -9.597 -0.271 -0.271 646 1HB MET 88 2HB MET 88 -11.785 -0.051 -0.051 647 2HB MET 88 1HB MET 88 -10.234 0.778 0.778 648 1HG MET 88 2HG MET 88 -9.204 -1.561 -1.561 649 2HG MET 88 1HG MET 88 -10.830 -2.029 -2.029 650 1HE MET 88 2HE MET 88 -12.270 -0.577 -0.577 651 2HE MET 88 1HE MET 88 -11.729 1.013 1.013 652 3HE MET 88 3HE MET 88 -11.671 0.582 0.582 653 H SER 89 H SER 89 -12.171 -1.810 -1.810 654 HA SER 89 HA SER 89 -13.801 0.655 0.655 655 1HB SER 89 2HB SER 89 -14.340 -2.291 -2.291 656 2HB SER 89 1HB SER 89 -15.499 -1.033 -1.033 657 HG SER 89 HG SER 89 -15.090 -2.120 -2.120 658 H LEU 90 H LEU 90 -13.054 1.716 1.716 659 HA LEU 90 HA LEU 90 -11.768 0.670 0.670 660 1HB LEU 90 2HB LEU 90 -13.035 3.120 3.120 661 2HB LEU 90 1HB LEU 90 -13.349 2.852 2.852 662 HG LEU 90 HG LEU 90 -10.624 2.736 2.736 663 1HD1 LEU 90 1HD1 LEU 90 -11.583 5.029 5.029 664 2HD1 LEU 90 3HD1 LEU 90 -11.834 4.844 4.844 665 3HD1 LEU 90 2HD1 LEU 90 -10.198 4.858 4.858 666 1HD2 LEU 90 1HD2 LEU 90 -11.445 1.498 1.498 667 2HD2 LEU 90 3HD2 LEU 90 -9.794 2.046 2.046 668 3HD2 LEU 90 2HD2 LEU 90 -10.911 3.059 3.059 669 HA PRO 91 HA PRO 91 -15.385 -1.590 -1.590 670 1HB PRO 91 2HB PRO 91 -13.997 -2.987 -2.987 671 2HB PRO 91 1HB PRO 91 -14.042 -3.459 -3.459 672 1HG PRO 91 2HG PRO 91 -11.932 -1.975 -1.975 673 2HG PRO 91 1HG PRO 91 -11.765 -3.247 -3.247 674 1HD PRO 91 2HD PRO 91 -11.407 -0.625 -0.625 675 2HD PRO 91 1HD PRO 91 -12.050 -1.784 -1.784 676 HA PRO 92 HA PRO 92 -16.321 0.881 0.881 677 1HB PRO 92 2HB PRO 92 -18.072 -0.725 -0.725 678 2HB PRO 92 1HB PRO 92 -18.483 0.085 0.085 679 1HG PRO 92 2HG PRO 92 -17.744 -2.745 -2.745 680 2HG PRO 92 1HG PRO 92 -18.882 -2.062 -2.062 681 1HD PRO 92 2HD PRO 92 -16.337 -2.932 -2.932 682 2HD PRO 92 1HD PRO 92 -17.269 -1.769 -1.769 683 H ALA 93 H ALA 93 -14.951 -2.279 -2.279 684 HA ALA 93 HA ALA 93 -14.516 -1.829 -1.829 685 1HB ALA 93 1HB ALA 93 -14.065 -3.996 -3.996 686 2HB ALA 93 3HB ALA 93 -13.177 -4.060 -4.060 687 3HB ALA 93 2HB ALA 93 -14.941 -4.072 -4.072 688 H LEU 94 H LEU 94 -13.211 -0.307 -0.307 689 HA LEU 94 HA LEU 94 -10.382 -0.649 -0.649 690 1HB LEU 94 2HB LEU 94 -11.731 -0.286 -0.286 691 2HB LEU 94 1HB LEU 94 -10.189 0.548 0.548 692 HG LEU 94 HG LEU 94 -9.929 -1.760 -1.760 693 1HD1 LEU 94 1HD1 LEU 94 -8.723 -0.769 -0.769 694 2HD1 LEU 94 3HD1 LEU 94 -8.445 -2.471 -2.471 695 3HD1 LEU 94 2HD1 LEU 94 -7.945 -1.225 -1.225 696 1HD2 LEU 94 2HD2 LEU 94 -11.917 -2.600 -2.600 697 2HD2 LEU 94 1HD2 LEU 94 -10.518 -3.668 -3.668 698 3HD2 LEU 94 3HD2 LEU 94 -10.767 -2.698 -2.698 699 H VAL 95 H VAL 95 -13.018 1.574 1.574 700 HA VAL 95 HA VAL 95 -11.439 4.014 4.014 701 HB VAL 95 HB VAL 95 -14.383 3.469 3.469 702 1HG1 VAL 95 1HG1 VAL 95 -12.755 5.959 5.959 703 2HG1 VAL 95 3HG1 VAL 95 -14.447 5.897 5.897 704 3HG1 VAL 95 2HG1 VAL 95 -14.016 5.668 5.668 705 1HG2 VAL 95 2HG2 VAL 95 -13.110 2.798 2.798 706 2HG2 VAL 95 1HG2 VAL 95 -14.711 3.535 3.535 707 3HG2 VAL 95 3HG2 VAL 95 -13.279 4.522 4.522 708 HA PRO 96 HA PRO 96 -10.964 4.063 4.063 709 1HB PRO 96 2HB PRO 96 -10.051 6.644 6.644 710 2HB PRO 96 1HB PRO 96 -9.028 5.291 5.291 711 1HG PRO 96 2HG PRO 96 -10.438 7.344 7.344 712 2HG PRO 96 1HG PRO 96 -8.816 6.661 6.661 713 1HD PRO 96 2HD PRO 96 -10.926 5.865 5.865 714 2HD PRO 96 1HD PRO 96 -9.593 4.768 4.768 715 HA PRO 97 HA PRO 97 -14.537 6.136 6.136 716 1HB PRO 97 2HB PRO 97 -13.741 7.278 7.278 717 2HB PRO 97 1HB PRO 97 -13.960 5.528 5.528 718 1HG PRO 97 2HG PRO 97 -11.455 7.135 7.135 719 2HG PRO 97 1HG PRO 97 -11.766 5.527 5.527 720 1HD PRO 97 2HD PRO 97 -10.474 5.952 5.952 721 2HD PRO 97 1HD PRO 97 -11.392 4.476 4.476 722 H SER 98 H SER 98 -15.500 8.284 8.284 723 HA SER 98 HA SER 98 -15.687 10.622 10.622 724 1HB SER 98 2HB SER 98 -13.217 10.288 10.288 725 2HB SER 98 1HB SER 98 -12.783 10.828 10.828 726 HG SER 98 HG SER 98 -13.174 12.443 12.443 727 H LYS 99 H LYS 99 -13.309 9.333 9.333 728 HA LYS 99 HA LYS 99 -14.484 10.994 10.994 729 1HB LYS 99 2HB LYS 99 -12.154 10.853 10.853 730 2HB LYS 99 1HB LYS 99 -12.129 9.189 9.189 731 1HG LYS 99 2HG LYS 99 -11.550 9.364 9.364 732 2HG LYS 99 1HG LYS 99 -12.998 8.401 8.401 733 1HD LYS 99 2HD LYS 99 -13.860 9.759 9.759 734 2HD LYS 99 1HD LYS 99 -14.097 10.870 10.870 735 1HE LYS 99 2HE LYS 99 -11.385 10.982 10.982 736 2HE LYS 99 1HE LYS 99 -12.671 11.495 11.495 737 1HZ LYS 99 2HZ LYS 99 -12.658 12.375 12.375 738 2HZ LYS 99 1HZ LYS 99 -11.759 13.216 13.216 739 3HZ LYS 99 3HZ LYS 99 -13.443 13.081 13.081 740 H ARG 100 H ARG 100 -15.562 8.353 8.353 741 HA ARG 100 HA ARG 100 -15.985 6.509 6.509 742 1HB ARG 100 2HB ARG 100 -17.293 5.298 5.298 743 2HB ARG 100 1HB ARG 100 -15.838 5.919 5.919 744 1HG ARG 100 2HG ARG 100 -17.202 7.918 7.918 745 2HG ARG 100 1HG ARG 100 -18.634 7.068 7.068 746 1HD ARG 100 2HD ARG 100 -16.782 6.271 6.271 747 2HD ARG 100 1HD ARG 100 -18.546 6.462 6.462 748 HE ARG 100 HE ARG 100 -17.082 4.184 4.184 749 1HH1 ARG 100 1HH2 ARG 100 -19.494 4.462 4.462 750 2HH1 ARG 100 2HH2 ARG 100 -20.742 3.735 3.735 751 1HH2 ARG 100 2HH1 ARG 100 -18.917 3.846 3.846 752 2HH2 ARG 100 1HH1 ARG 100 -20.415 3.385 3.385 Start of MODEL 11 1 HA PRO 6 HA PRO 6 -14.303 -2.782 -2.782 2 1HB PRO 6 2HB PRO 6 -12.160 -4.478 -4.478 3 2HB PRO 6 1HB PRO 6 -13.510 -4.534 -4.534 4 1HG PRO 6 2HG PRO 6 -12.951 -6.271 -6.271 5 2HG PRO 6 1HG PRO 6 -13.627 -6.692 -6.692 6 1HD PRO 6 2HD PRO 6 -15.126 -6.385 -6.385 7 2HD PRO 6 1HD PRO 6 -15.755 -6.145 -6.145 8 H TRP 7 H TRP 7 -11.842 -2.237 -2.237 9 HA TRP 7 HA TRP 7 -11.782 -1.618 -1.618 10 1HB TRP 7 2HB TRP 7 -11.142 -0.038 -0.038 11 2HB TRP 7 1HB TRP 7 -9.823 -1.115 -1.115 12 HD1 TRP 7 HD1 TRP 7 -10.540 -0.801 -0.801 13 HE1 TRP 7 HE1 TRP 7 -8.660 0.545 0.545 14 HE3 TRP 7 HE3 TRP 7 -8.058 0.901 0.901 15 HZ2 TRP 7 HZ2 TRP 7 -6.402 2.139 2.139 16 HZ3 TRP 7 HZ3 TRP 7 -6.049 2.330 2.330 17 HH2 TRP 7 HH2 TRP 7 -5.219 2.952 2.952 18 H ALA 8 H ALA 8 -10.864 -3.015 -3.015 19 HA ALA 8 HA ALA 8 -9.714 -5.474 -5.474 20 1HB ALA 8 3HB ALA 8 -9.158 -3.328 -3.328 21 2HB ALA 8 2HB ALA 8 -8.426 -4.926 -4.926 22 3HB ALA 8 1HB ALA 8 -10.183 -4.753 -4.753 23 H VAL 9 H VAL 9 -8.176 -2.348 -2.348 24 HA VAL 9 HA VAL 9 -5.555 -3.660 -3.660 25 HB VAL 9 HB VAL 9 -6.510 -0.826 -0.826 26 1HG1 VAL 9 2HG1 VAL 9 -3.813 -1.820 -1.820 27 2HG1 VAL 9 1HG1 VAL 9 -4.038 -0.245 -0.245 28 3HG1 VAL 9 3HG1 VAL 9 -4.847 -0.612 -0.612 29 1HG2 VAL 9 2HG2 VAL 9 -4.797 -2.828 -2.828 30 2HG2 VAL 9 1HG2 VAL 9 -6.183 -1.916 -1.916 31 3HG2 VAL 9 3HG2 VAL 9 -4.642 -1.103 -1.103 32 H LYS 10 H LYS 10 -4.597 -3.495 -3.495 33 HA LYS 10 HA LYS 10 -6.384 -2.455 -2.455 34 1HB LYS 10 2HB LYS 10 -4.971 -4.982 -4.982 35 2HB LYS 10 1HB LYS 10 -4.674 -4.339 -4.339 36 1HG LYS 10 2HG LYS 10 -7.375 -3.931 -3.931 37 2HG LYS 10 1HG LYS 10 -7.156 -5.432 -5.432 38 1HD LYS 10 2HD LYS 10 -6.221 -4.919 -4.919 39 2HD LYS 10 1HD LYS 10 -7.605 -5.907 -5.907 40 1HE LYS 10 2HE LYS 10 -6.263 -7.610 -7.610 41 2HE LYS 10 1HE LYS 10 -4.888 -6.520 -6.520 42 1HZ LYS 10 1HZ LYS 10 -5.786 -6.633 -6.633 43 2HZ LYS 10 3HZ LYS 10 -5.185 -8.112 -8.112 44 3HZ LYS 10 2HZ LYS 10 -4.210 -6.722 -6.722 45 HA PRO 11 HA PRO 11 -3.122 0.007 0.007 46 1HB PRO 11 2HB PRO 11 -2.684 -0.853 -0.853 47 2HB PRO 11 1HB PRO 11 -4.100 0.104 0.104 48 1HG PRO 11 2HG PRO 11 -3.858 -2.850 -2.850 49 2HG PRO 11 1HG PRO 11 -5.150 -1.752 -1.752 50 1HD PRO 11 2HD PRO 11 -5.409 -3.290 -3.290 51 2HD PRO 11 1HD PRO 11 -6.095 -1.653 -1.653 52 H GLU 12 H GLU 12 -2.629 -3.458 -3.458 53 HA GLU 12 HA GLU 12 0.222 -3.337 -3.337 54 1HB GLU 12 2HB GLU 12 0.071 -5.731 -5.731 55 2HB GLU 12 1HB GLU 12 -1.411 -5.215 -5.215 56 1HG GLU 12 2HG GLU 12 -2.623 -5.262 -5.262 57 2HG GLU 12 1HG GLU 12 -1.142 -5.668 -5.668 58 H ASP 13 H ASP 13 -1.876 -3.620 -3.620 59 HA ASP 13 HA ASP 13 0.378 -3.945 -3.945 60 1HB ASP 13 2HB ASP 13 -2.620 -3.539 -3.539 61 2HB ASP 13 1HB ASP 13 -1.589 -3.587 -3.587 62 H LYS 14 H LYS 14 -1.761 -1.404 -1.404 63 HA LYS 14 HA LYS 14 -0.880 0.641 0.641 64 1HB LYS 14 2HB LYS 14 -2.962 0.987 0.987 65 2HB LYS 14 1HB LYS 14 -2.335 0.515 0.515 66 1HG LYS 14 2HG LYS 14 -2.677 2.968 2.968 67 2HG LYS 14 1HG LYS 14 -0.981 2.559 2.559 68 1HD LYS 14 2HD LYS 14 -0.841 4.117 4.117 69 2HD LYS 14 1HD LYS 14 -0.859 2.588 2.588 70 1HE LYS 14 2HE LYS 14 -2.468 4.026 4.026 71 2HE LYS 14 1HE LYS 14 -3.408 2.858 2.858 72 1HZ LYS 14 1HZ LYS 14 -2.835 4.778 4.778 73 2HZ LYS 14 3HZ LYS 14 -3.071 5.695 5.695 74 3HZ LYS 14 2HZ LYS 14 -4.299 4.661 4.661 75 H ALA 15 H ALA 15 0.392 -0.799 -0.799 76 HA ALA 15 HA ALA 15 2.099 1.373 1.373 77 1HB ALA 15 3HB ALA 15 1.300 -1.067 -1.067 78 2HB ALA 15 2HB ALA 15 2.942 -1.439 -1.439 79 3HB ALA 15 1HB ALA 15 2.664 -0.162 -0.162 80 H LYS 16 H LYS 16 2.499 -1.410 -1.410 81 HA LYS 16 HA LYS 16 5.280 -0.728 -0.728 82 1HB LYS 16 2HB LYS 16 5.237 -2.774 -2.774 83 2HB LYS 16 1HB LYS 16 3.882 -3.006 -3.006 84 1HG LYS 16 2HG LYS 16 2.453 -1.979 -1.979 85 2HG LYS 16 1HG LYS 16 3.823 -2.334 -2.334 86 1HD LYS 16 2HD LYS 16 2.163 -4.285 -4.285 87 2HD LYS 16 1HD LYS 16 2.385 -4.246 -4.246 88 1HE LYS 16 2HE LYS 16 4.742 -4.651 -4.651 89 2HE LYS 16 1HE LYS 16 3.754 -6.012 -6.012 90 1HZ LYS 16 1HZ LYS 16 4.392 -4.147 -4.147 91 2HZ LYS 16 3HZ LYS 16 5.774 -4.858 -4.858 92 3HZ LYS 16 2HZ LYS 16 4.548 -5.839 -5.839 93 H TYR 17 H TYR 17 2.087 0.011 0.011 94 HA TYR 17 HA TYR 17 2.828 0.994 0.994 95 1HB TYR 17 2HB TYR 17 0.489 1.549 1.549 96 2HB TYR 17 1HB TYR 17 0.546 2.036 2.036 97 HD1 TYR 17 HD2 TYR 17 2.309 -0.933 -0.933 98 HD2 TYR 17 HD1 TYR 17 -1.712 0.519 0.519 99 HE1 TYR 17 HE2 TYR 17 1.437 -3.154 -3.154 100 HE2 TYR 17 HE1 TYR 17 -2.586 -1.703 -1.703 101 HH TYR 17 HH TYR 17 -1.987 -3.914 -3.914 102 H ASP 18 H ASP 18 2.485 2.332 2.332 103 HA ASP 18 HA ASP 18 2.858 5.116 5.116 104 1HB ASP 18 2HB ASP 18 1.662 4.405 4.405 105 2HB ASP 18 1HB ASP 18 3.092 3.553 3.553 106 H ALA 19 H ALA 19 4.997 2.481 2.481 107 HA ALA 19 HA ALA 19 7.343 4.160 4.160 108 1HB ALA 19 2HB ALA 19 6.607 1.293 1.293 109 2HB ALA 19 1HB ALA 19 8.260 1.652 1.652 110 3HB ALA 19 3HB ALA 19 7.708 2.109 2.109 111 H ILE 20 H ILE 20 5.976 2.245 2.245 112 HA ILE 20 HA ILE 20 8.036 2.844 2.844 113 HB ILE 20 HB ILE 20 5.177 1.822 1.822 114 1HG1 ILE 20 2HG1 ILE 20 7.550 0.207 0.207 115 2HG1 ILE 20 1HG1 ILE 20 7.357 0.547 0.547 116 1HG2 ILE 20 2HG2 ILE 20 6.279 3.026 3.026 117 2HG2 ILE 20 1HG2 ILE 20 6.926 1.400 1.400 118 3HG2 ILE 20 3HG2 ILE 20 5.185 1.654 1.654 119 1HD1 ILE 20 2HD1 ILE 20 4.801 -0.159 -0.159 120 2HD1 ILE 20 1HD1 ILE 20 5.752 -1.192 -1.192 121 3HD1 ILE 20 3HD1 ILE 20 5.990 -1.273 -1.273 122 H PHE 21 H PHE 21 5.047 4.231 4.231 123 HA PHE 21 HA PHE 21 4.637 6.141 6.141 124 1HB PHE 21 2HB PHE 21 2.726 5.752 5.752 125 2HB PHE 21 1HB PHE 21 3.637 5.523 5.523 126 HD1 PHE 21 HD2 PHE 21 4.690 7.581 7.581 127 HD2 PHE 21 HD1 PHE 21 1.693 7.822 7.822 128 HE1 PHE 21 HE2 PHE 21 4.180 9.910 9.910 129 HE2 PHE 21 HE1 PHE 21 1.181 10.150 10.150 130 HZ PHE 21 HZ PHE 21 2.429 11.191 11.191 131 H ASP 22 H ASP 22 6.255 6.179 6.179 132 HA ASP 22 HA ASP 22 7.103 8.985 8.985 133 1HB ASP 22 2HB ASP 22 6.416 8.247 8.247 134 2HB ASP 22 1HB ASP 22 7.482 6.841 6.841 135 H SER 23 H SER 23 8.124 6.144 6.144 136 HA SER 23 HA SER 23 11.039 6.589 6.589 137 1HB SER 23 2HB SER 23 9.220 4.511 4.511 138 2HB SER 23 1HB SER 23 10.909 4.555 4.555 139 HG SER 23 HG SER 23 10.809 3.246 3.246 140 H LEU 24 H LEU 24 8.543 7.757 7.757 141 HA LEU 24 HA LEU 24 10.264 8.266 8.266 142 1HB LEU 24 2HB LEU 24 7.340 8.857 8.857 143 2HB LEU 24 1HB LEU 24 8.310 8.142 8.142 144 HG LEU 24 HG LEU 24 7.572 6.685 6.685 145 1HD1 LEU 24 2HD1 LEU 24 5.886 7.386 7.386 146 2HD1 LEU 24 1HD1 LEU 24 6.257 5.671 5.671 147 3HD1 LEU 24 3HD1 LEU 24 5.530 6.272 6.272 148 1HD2 LEU 24 3HD2 LEU 24 8.839 5.930 5.930 149 2HD2 LEU 24 2HD2 LEU 24 9.476 5.679 5.679 150 3HD2 LEU 24 1HD2 LEU 24 8.111 4.720 4.720 151 H SER 25 H SER 25 9.089 9.625 9.625 152 HA SER 25 HA SER 25 9.361 11.845 11.845 153 1HB SER 25 2HB SER 25 10.942 11.862 11.862 154 2HB SER 25 1HB SER 25 9.672 12.923 12.923 155 HG SER 25 HG SER 25 11.640 13.498 13.498 156 HA PRO 26 HA PRO 26 5.010 12.262 12.262 157 1HB PRO 26 2HB PRO 26 4.212 12.942 12.942 158 2HB PRO 26 1HB PRO 26 4.468 11.260 11.260 159 1HG PRO 26 2HG PRO 26 6.246 13.051 13.051 160 2HG PRO 26 1HG PRO 26 5.920 11.323 11.323 161 1HD PRO 26 2HD PRO 26 8.174 12.300 12.300 162 2HD PRO 26 1HD PRO 26 7.469 10.716 10.716 163 H VAL 27 H VAL 27 3.825 14.134 14.134 164 HA VAL 27 HA VAL 27 5.143 16.722 16.722 165 HB VAL 27 HB VAL 27 3.427 16.040 16.040 166 1HG1 VAL 27 1HG1 VAL 27 3.572 18.458 18.458 167 2HG1 VAL 27 3HG1 VAL 27 5.265 18.406 18.406 168 3HG1 VAL 27 2HG1 VAL 27 3.992 18.194 18.194 169 1HG2 VAL 27 2HG2 VAL 27 6.312 15.733 15.733 170 2HG2 VAL 27 1HG2 VAL 27 5.319 14.947 14.947 171 3HG2 VAL 27 3HG2 VAL 27 5.947 16.570 16.570 172 H ASN 28 H ASN 28 3.903 17.339 17.339 173 HA ASN 28 HA ASN 28 1.996 18.126 18.126 174 1HB ASN 28 2HB ASN 28 1.807 19.276 19.276 175 2HB ASN 28 1HB ASN 28 0.678 17.998 17.998 176 1HD2 ASN 28 1HD2 ASN 28 -1.258 17.739 17.739 177 2HD2 ASN 28 2HD2 ASN 28 -1.886 19.148 19.148 178 H GLY 29 H GLY 29 2.501 15.181 15.181 179 1HA GLY 29 2HA GLY 29 1.392 13.258 13.258 180 2HA GLY 29 1HA GLY 29 -0.109 14.184 14.184 181 H PHE 30 H PHE 30 1.994 13.991 13.991 182 HA PHE 30 HA PHE 30 0.116 12.129 12.129 183 1HB PHE 30 2HB PHE 30 0.674 15.000 15.000 184 2HB PHE 30 1HB PHE 30 -0.150 13.840 13.840 185 HD1 PHE 30 HD2 PHE 30 -2.287 12.800 12.800 186 HD2 PHE 30 HD1 PHE 30 -0.443 16.017 16.017 187 HE1 PHE 30 HE2 PHE 30 -4.432 13.239 13.239 188 HE2 PHE 30 HE1 PHE 30 -2.574 16.453 16.453 189 HZ PHE 30 HZ PHE 30 -4.573 15.065 15.065 190 H LEU 31 H LEU 31 0.950 11.417 11.417 191 HA LEU 31 HA LEU 31 3.898 11.891 11.891 192 1HB LEU 31 2HB LEU 31 2.260 9.349 9.349 193 2HB LEU 31 1HB LEU 31 3.865 9.454 9.454 194 HG LEU 31 HG LEU 31 3.378 10.279 10.279 195 1HD1 LEU 31 2HD1 LEU 31 3.955 7.535 7.535 196 2HD1 LEU 31 1HD1 LEU 31 4.338 7.964 7.964 197 3HD1 LEU 31 3HD1 LEU 31 2.665 7.996 7.996 198 1HD2 LEU 31 3HD2 LEU 31 5.698 9.814 9.814 199 2HD2 LEU 31 2HD2 LEU 31 5.489 11.028 11.028 200 3HD2 LEU 31 1HD2 LEU 31 5.901 9.364 9.364 201 H SER 32 H SER 32 4.449 12.475 12.475 202 HA SER 32 HA SER 32 2.341 12.829 12.829 203 1HB SER 32 2HB SER 32 5.129 13.195 13.195 204 2HB SER 32 1HB SER 32 3.805 14.352 14.352 205 HG SER 32 HG SER 32 5.149 15.079 15.079 206 H GLY 33 H GLY 33 2.000 11.617 11.617 207 1HA GLY 33 2HA GLY 33 2.595 8.934 8.934 208 2HA GLY 33 1HA GLY 33 2.396 9.953 9.953 209 H ASP 34 H ASP 34 4.796 11.596 11.596 210 HA ASP 34 HA ASP 34 6.797 10.250 10.250 211 1HB ASP 34 2HB ASP 34 6.789 12.542 12.542 212 2HB ASP 34 1HB ASP 34 8.233 12.078 12.078 213 H LYS 35 H LYS 35 5.895 9.914 9.914 214 HA LYS 35 HA LYS 35 8.480 8.509 8.509 215 1HB LYS 35 2HB LYS 35 7.091 8.834 8.834 216 2HB LYS 35 1HB LYS 35 8.445 9.813 9.813 217 1HG LYS 35 2HG LYS 35 6.686 11.217 11.217 218 2HG LYS 35 1HG LYS 35 5.493 10.379 10.379 219 1HD LYS 35 2HD LYS 35 5.908 11.862 11.862 220 2HD LYS 35 1HD LYS 35 7.537 11.192 11.192 221 1HE LYS 35 2HE LYS 35 8.472 12.976 12.976 222 2HE LYS 35 1HE LYS 35 7.161 13.051 13.051 223 1HZ LYS 35 1HZ LYS 35 6.637 13.732 13.732 224 2HZ LYS 35 3HZ LYS 35 7.318 14.894 14.894 225 3HZ LYS 35 2HZ LYS 35 5.800 14.226 14.226 226 H VAL 36 H VAL 36 4.970 8.262 8.262 227 HA VAL 36 HA VAL 36 5.028 5.575 5.575 228 HB VAL 36 HB VAL 36 2.862 7.189 7.189 229 1HG1 VAL 36 2HG1 VAL 36 2.906 4.478 4.478 230 2HG1 VAL 36 1HG1 VAL 36 2.019 5.258 5.258 231 3HG1 VAL 36 3HG1 VAL 36 1.479 5.445 5.445 232 1HG2 VAL 36 1HG2 VAL 36 3.985 7.099 7.099 233 2HG2 VAL 36 3HG2 VAL 36 3.321 8.464 8.464 234 3HG2 VAL 36 2HG2 VAL 36 2.238 7.282 7.282 235 H LYS 37 H LYS 37 4.048 6.898 6.898 236 HA LYS 37 HA LYS 37 3.472 4.636 4.636 237 1HB LYS 37 2HB LYS 37 3.697 7.130 7.130 238 2HB LYS 37 1HB LYS 37 5.363 6.727 6.727 239 1HG LYS 37 2HG LYS 37 3.886 4.672 4.672 240 2HG LYS 37 1HG LYS 37 2.918 6.117 6.117 241 1HD LYS 37 2HD LYS 37 5.614 6.855 6.855 242 2HD LYS 37 1HD LYS 37 5.372 5.312 5.312 243 1HE LYS 37 2HE LYS 37 4.041 6.258 6.258 244 2HE LYS 37 1HE LYS 37 3.124 7.174 7.174 245 1HZ LYS 37 3HZ LYS 37 5.923 7.875 7.875 246 2HZ LYS 37 2HZ LYS 37 4.660 8.469 8.469 247 3HZ LYS 37 1HZ LYS 37 4.711 8.842 8.842 248 HA PRO 38 HA PRO 38 8.130 3.664 3.664 249 1HB PRO 38 2HB PRO 38 9.907 4.789 4.789 250 2HB PRO 38 1HB PRO 38 9.481 5.538 5.538 251 1HG PRO 38 2HG PRO 38 8.461 6.146 6.146 252 2HG PRO 38 1HG PRO 38 8.904 7.254 7.254 253 1HD PRO 38 2HD PRO 38 6.348 6.642 6.642 254 2HD PRO 38 1HD PRO 38 6.907 6.978 6.978 255 H VAL 39 H VAL 39 6.980 4.333 4.333 256 HA VAL 39 HA VAL 39 8.333 2.199 2.199 257 HB VAL 39 HB VAL 39 6.072 4.097 4.097 258 1HG1 VAL 39 1HG1 VAL 39 6.240 1.437 1.437 259 2HG1 VAL 39 3HG1 VAL 39 6.108 2.773 2.773 260 3HG1 VAL 39 2HG1 VAL 39 4.876 2.552 2.552 261 1HG2 VAL 39 2HG2 VAL 39 8.721 4.131 4.131 262 2HG2 VAL 39 1HG2 VAL 39 7.516 5.042 5.042 263 3HG2 VAL 39 3HG2 VAL 39 8.077 3.480 3.480 264 H LEU 40 H LEU 40 5.318 2.400 2.400 265 HA LEU 40 HA LEU 40 4.405 -0.262 -0.262 266 1HB LEU 40 2HB LEU 40 3.551 1.354 1.354 267 2HB LEU 40 1HB LEU 40 2.598 0.184 0.184 268 HG LEU 40 HG LEU 40 3.487 2.927 2.927 269 1HD1 LEU 40 3HD1 LEU 40 1.073 1.782 1.782 270 2HD1 LEU 40 2HD1 LEU 40 0.771 2.398 2.398 271 3HD1 LEU 40 1HD1 LEU 40 1.422 3.468 3.468 272 1HD2 LEU 40 1HD2 LEU 40 2.319 0.642 0.642 273 2HD2 LEU 40 3HD2 LEU 40 3.864 1.450 1.450 274 3HD2 LEU 40 2HD2 LEU 40 2.351 2.313 2.313 275 H LEU 41 H LEU 41 6.656 1.032 1.032 276 HA LEU 41 HA LEU 41 6.528 -1.090 -1.090 277 1HB LEU 41 2HB LEU 41 8.324 1.203 1.203 278 2HB LEU 41 1HB LEU 41 8.909 -0.015 -0.015 279 HG LEU 41 HG LEU 41 6.222 1.311 1.311 280 1HD1 LEU 41 3HD1 LEU 41 8.667 2.665 2.665 281 2HD1 LEU 41 2HD1 LEU 41 8.349 2.278 2.278 282 3HD1 LEU 41 1HD1 LEU 41 7.166 3.197 3.197 283 1HD2 LEU 41 2HD2 LEU 41 7.812 -0.695 -0.695 284 2HD2 LEU 41 1HD2 LEU 41 6.145 -0.203 -0.203 285 3HD2 LEU 41 3HD2 LEU 41 7.476 0.668 0.668 286 H ASN 42 H ASN 42 8.053 -0.580 -0.580 287 HA ASN 42 HA ASN 42 10.173 -2.511 -2.511 288 1HB ASN 42 2HB ASN 42 8.594 -1.447 -1.447 289 2HB ASN 42 1HB ASN 42 10.103 -2.352 -2.352 290 1HD2 ASN 42 1HD2 ASN 42 8.698 0.715 0.715 291 2HD2 ASN 42 2HD2 ASN 42 10.175 1.546 1.546 292 H SER 43 H SER 43 6.748 -2.818 -2.818 293 HA SER 43 HA SER 43 6.732 -5.413 -5.413 294 1HB SER 43 2HB SER 43 4.676 -4.498 -4.498 295 2HB SER 43 1HB SER 43 4.883 -3.446 -3.446 296 HG SER 43 HG SER 43 4.204 -5.062 -5.062 297 H LYS 44 H LYS 44 7.811 -4.541 -4.541 298 HA LYS 44 HA LYS 44 8.396 -5.881 -5.881 299 1HB LYS 44 2HB LYS 44 8.095 -7.582 -7.582 300 2HB LYS 44 1HB LYS 44 7.175 -8.352 -8.352 301 1HG LYS 44 2HG LYS 44 9.797 -7.273 -7.273 302 2HG LYS 44 1HG LYS 44 9.878 -8.611 -8.611 303 1HD LYS 44 2HD LYS 44 8.445 -9.973 -9.973 304 2HD LYS 44 1HD LYS 44 8.304 -8.631 -8.631 305 1HE LYS 44 2HE LYS 44 10.864 -10.098 -10.098 306 2HE LYS 44 1HE LYS 44 10.030 -10.141 -10.141 307 1HZ LYS 44 1HZ LYS 44 10.209 -7.639 -7.639 308 2HZ LYS 44 3HZ LYS 44 11.318 -7.821 -7.821 309 3HZ LYS 44 2HZ LYS 44 11.663 -8.480 -8.480 310 H LEU 45 H LEU 45 5.349 -5.076 -5.076 311 HA LEU 45 HA LEU 45 3.767 -6.707 -6.707 312 1HB LEU 45 2HB LEU 45 3.362 -4.359 -4.359 313 2HB LEU 45 1HB LEU 45 2.117 -4.745 -4.745 314 HG LEU 45 HG LEU 45 3.239 -6.674 -6.674 315 1HD1 LEU 45 1HD1 LEU 45 1.429 -4.627 -4.627 316 2HD1 LEU 45 3HD1 LEU 45 0.380 -6.000 -6.000 317 3HD1 LEU 45 2HD1 LEU 45 1.535 -6.090 -6.090 318 1HD2 LEU 45 3HD2 LEU 45 2.021 -7.202 -7.202 319 2HD2 LEU 45 2HD2 LEU 45 2.188 -8.332 -8.332 320 3HD2 LEU 45 1HD2 LEU 45 0.720 -7.368 -7.368 321 HA PRO 46 HA PRO 46 4.231 -4.235 -4.235 322 1HB PRO 46 2HB PRO 46 1.750 -4.483 -4.483 323 2HB PRO 46 1HB PRO 46 2.951 -5.788 -5.788 324 1HG PRO 46 2HG PRO 46 0.542 -5.416 -5.416 325 2HG PRO 46 1HG PRO 46 1.276 -6.902 -6.902 326 1HD PRO 46 2HD PRO 46 1.548 -5.977 -5.977 327 2HD PRO 46 1HD PRO 46 2.670 -7.099 -7.099 328 H VAL 47 H VAL 47 3.450 -2.214 -2.214 329 HA VAL 47 HA VAL 47 2.794 -0.165 -0.165 330 HB VAL 47 HB VAL 47 2.826 -0.423 -0.423 331 1HG1 VAL 47 1HG1 VAL 47 2.172 2.013 2.013 332 2HG1 VAL 47 3HG1 VAL 47 2.666 2.103 2.103 333 3HG1 VAL 47 2HG1 VAL 47 1.169 1.278 1.278 334 1HG2 VAL 47 1HG2 VAL 47 4.784 -0.051 -0.051 335 2HG2 VAL 47 3HG2 VAL 47 4.999 0.133 0.133 336 3HG2 VAL 47 2HG2 VAL 47 4.580 1.532 1.532 337 H ASP 48 H ASP 48 0.770 -2.458 -2.458 338 HA ASP 48 HA ASP 48 -1.619 -0.832 -0.832 339 1HB ASP 48 2HB ASP 48 -0.840 -3.715 -3.715 340 2HB ASP 48 1HB ASP 48 -2.546 -3.314 -3.314 341 H ILE 49 H ILE 49 -0.221 -3.001 -3.001 342 HA ILE 49 HA ILE 49 -2.380 -2.885 -2.885 343 HB ILE 49 HB ILE 49 0.593 -3.147 -3.147 344 1HG1 ILE 49 2HG1 ILE 49 0.059 -4.706 -4.706 345 2HG1 ILE 49 1HG1 ILE 49 0.155 -5.616 -5.616 346 1HG2 ILE 49 1HG2 ILE 49 -1.780 -3.324 -3.324 347 2HG2 ILE 49 3HG2 ILE 49 -0.990 -4.900 -4.900 348 3HG2 ILE 49 2HG2 ILE 49 -0.094 -3.483 -3.483 349 1HD1 ILE 49 2HD1 ILE 49 -2.413 -4.596 -4.596 350 2HD1 ILE 49 1HD1 ILE 49 -1.830 -6.257 -6.257 351 3HD1 ILE 49 3HD1 ILE 49 -2.281 -5.572 -5.572 352 H LEU 50 H LEU 50 0.595 -1.031 -1.031 353 HA LEU 50 HA LEU 50 0.288 0.786 0.786 354 1HB LEU 50 2HB LEU 50 1.550 1.238 1.238 355 2HB LEU 50 1HB LEU 50 1.977 2.056 2.056 356 HG LEU 50 HG LEU 50 2.445 -0.833 -0.833 357 1HD1 LEU 50 3HD1 LEU 50 4.210 1.421 1.421 358 2HD1 LEU 50 2HD1 LEU 50 4.761 -0.232 -0.232 359 3HD1 LEU 50 1HD1 LEU 50 4.195 0.742 0.742 360 1HD2 LEU 50 2HD2 LEU 50 1.965 0.366 0.366 361 2HD2 LEU 50 1HD2 LEU 50 1.901 -1.325 -1.325 362 3HD2 LEU 50 3HD2 LEU 50 3.451 -0.576 -0.576 363 H GLY 51 H GLY 51 -1.383 0.474 0.474 364 1HA GLY 51 2HA GLY 51 -2.313 3.281 3.281 365 2HA GLY 51 1HA GLY 51 -2.748 2.051 2.051 366 H ARG 52 H ARG 52 -3.338 0.099 0.099 367 HA ARG 52 HA ARG 52 -6.103 1.027 1.027 368 1HB ARG 52 2HB ARG 52 -5.027 -1.298 -1.298 369 2HB ARG 52 1HB ARG 52 -5.171 -1.673 -1.673 370 1HG ARG 52 2HG ARG 52 -7.493 -1.427 -1.427 371 2HG ARG 52 1HG ARG 52 -7.483 -0.406 -0.406 372 1HD ARG 52 2HD ARG 52 -6.389 -3.125 -3.125 373 2HD ARG 52 1HD ARG 52 -8.124 -3.060 -3.060 374 HE ARG 52 HE ARG 52 -7.683 -0.998 -0.998 375 1HH1 ARG 52 1HH2 ARG 52 -6.072 -3.906 -3.906 376 2HH1 ARG 52 2HH2 ARG 52 -6.795 -4.380 -4.380 377 1HH2 ARG 52 2HH1 ARG 52 -9.135 -1.821 -1.821 378 2HH2 ARG 52 1HH1 ARG 52 -8.530 -3.200 -3.200 379 H VAL 53 H VAL 53 -3.421 -0.630 -0.630 380 HA VAL 53 HA VAL 53 -4.373 -0.497 -0.497 381 HB VAL 53 HB VAL 53 -1.608 -0.160 -0.160 382 1HG1 VAL 53 2HG1 VAL 53 -2.071 0.753 0.753 383 2HG1 VAL 53 1HG1 VAL 53 -2.006 -0.964 -0.964 384 3HG1 VAL 53 3HG1 VAL 53 -0.621 -0.179 -0.179 385 1HG2 VAL 53 3HG2 VAL 53 -3.091 -2.321 -2.321 386 2HG2 VAL 53 2HG2 VAL 53 -1.392 -2.466 -2.466 387 3HG2 VAL 53 1HG2 VAL 53 -2.641 -2.504 -2.504 388 H TRP 54 H TRP 54 -2.985 2.077 2.077 389 HA TRP 54 HA TRP 54 -2.845 4.013 4.013 390 1HB TRP 54 2HB TRP 54 -1.371 4.226 4.226 391 2HB TRP 54 1HB TRP 54 -2.734 4.206 4.206 392 HD1 TRP 54 HD1 TRP 54 -4.498 6.304 6.304 393 HE1 TRP 54 HE1 TRP 54 -4.046 8.765 8.765 394 HE3 TRP 54 HE3 TRP 54 0.102 5.838 5.838 395 HZ2 TRP 54 HZ2 TRP 54 -1.996 10.333 10.333 396 HZ3 TRP 54 HZ3 TRP 54 1.283 7.831 7.831 397 HH2 TRP 54 HH2 TRP 54 0.240 10.076 10.076 398 H GLU 55 H GLU 55 -4.896 3.882 3.882 399 HA GLU 55 HA GLU 55 -6.695 5.916 5.916 400 1HB GLU 55 2HB GLU 55 -7.209 3.156 3.156 401 2HB GLU 55 1HB GLU 55 -8.323 4.515 4.515 402 1HG GLU 55 2HG GLU 55 -5.445 4.669 4.669 403 2HG GLU 55 1HG GLU 55 -6.752 4.152 4.152 404 H LEU 56 H LEU 56 -6.749 2.597 2.597 405 HA LEU 56 HA LEU 56 -9.142 3.092 3.092 406 1HB LEU 56 2HB LEU 56 -7.161 0.791 0.791 407 2HB LEU 56 1HB LEU 56 -8.758 0.739 0.739 408 HG LEU 56 HG LEU 56 -8.410 1.523 1.523 409 1HD1 LEU 56 2HD1 LEU 56 -8.765 -1.266 -1.266 410 2HD1 LEU 56 1HD1 LEU 56 -8.931 -0.845 -0.845 411 3HD1 LEU 56 3HD1 LEU 56 -7.370 -0.676 -0.676 412 1HD2 LEU 56 1HD2 LEU 56 -10.638 0.837 0.837 413 2HD2 LEU 56 3HD2 LEU 56 -10.610 1.973 1.973 414 3HD2 LEU 56 2HD2 LEU 56 -10.791 0.245 0.245 415 H SER 57 H SER 57 -5.725 3.467 3.467 416 HA SER 57 HA SER 57 -5.754 3.435 3.435 417 1HB SER 57 2HB SER 57 -3.826 2.467 2.467 418 2HB SER 57 1HB SER 57 -3.693 3.755 3.755 419 HG SER 57 HG SER 57 -3.539 4.312 4.312 420 H ASP 58 H ASP 58 -5.883 5.650 5.650 421 HA ASP 58 HA ASP 58 -5.144 8.002 8.002 422 1HB ASP 58 2HB ASP 58 -4.792 7.461 7.461 423 2HB ASP 58 1HB ASP 58 -6.457 8.018 8.018 424 H ILE 59 H ILE 59 -7.013 7.216 7.216 425 HA ILE 59 HA ILE 59 -9.719 7.328 7.328 426 HB ILE 59 HB ILE 59 -8.049 8.726 8.726 427 1HG1 ILE 59 2HG1 ILE 59 -7.613 6.293 6.293 428 2HG1 ILE 59 1HG1 ILE 59 -8.417 6.650 6.650 429 1HG2 ILE 59 2HG2 ILE 59 -10.465 9.454 9.454 430 2HG2 ILE 59 1HG2 ILE 59 -10.919 7.779 7.779 431 3HG2 ILE 59 3HG2 ILE 59 -10.011 8.697 8.697 432 1HD1 ILE 59 1HD1 ILE 59 -10.591 6.050 6.050 433 2HD1 ILE 59 3HD1 ILE 59 -9.748 5.641 5.641 434 3HD1 ILE 59 2HD1 ILE 59 -9.451 4.700 4.700 435 H ASP 60 H ASP 60 -7.473 10.037 10.037 436 HA ASP 60 HA ASP 60 -9.704 11.972 11.972 437 1HB ASP 60 2HB ASP 60 -6.703 12.397 12.397 438 2HB ASP 60 1HB ASP 60 -7.947 13.621 13.621 439 H HIS 61 H HIS 61 -7.261 10.262 10.262 440 HA HIS 61 HA HIS 61 -6.886 10.176 10.176 441 1HB HIS 61 2HB HIS 61 -9.611 11.521 11.521 442 2HB HIS 61 1HB HIS 61 -8.874 10.695 10.695 443 HD1 HIS 61 HD1 HIS 61 -8.920 8.132 8.132 444 HD2 HIS 61 HD2 HIS 61 -10.462 9.761 9.761 445 HE1 HIS 61 HE1 HIS 61 -10.029 6.227 6.227 446 H ASP 62 H ASP 62 -5.612 12.274 12.274 447 HA ASP 62 HA ASP 62 -6.030 14.595 14.595 448 1HB ASP 62 2HB ASP 62 -5.453 15.995 15.995 449 2HB ASP 62 1HB ASP 62 -6.450 14.735 14.735 450 H GLY 63 H GLY 63 -3.887 12.082 12.082 451 1HA GLY 63 2HA GLY 63 -1.943 11.761 11.761 452 2HA GLY 63 1HA GLY 63 -1.647 13.496 13.496 453 H MET 64 H MET 64 -2.642 12.239 12.239 454 HA MET 64 HA MET 64 0.124 11.612 11.612 455 1HB MET 64 2HB MET 64 -1.528 13.986 13.986 456 2HB MET 64 1HB MET 64 -0.884 13.245 13.245 457 1HG MET 64 2HG MET 64 1.361 13.309 13.309 458 2HG MET 64 1HG MET 64 0.745 13.951 13.951 459 1HE MET 64 1HE MET 64 3.006 15.236 15.236 460 2HE MET 64 3HE MET 64 2.853 16.579 16.579 461 3HE MET 64 2HE MET 64 2.753 14.912 14.912 462 H LEU 65 H LEU 65 0.095 10.557 10.557 463 HA LEU 65 HA LEU 65 -2.566 9.296 9.296 464 1HB LEU 65 2HB LEU 65 0.265 8.224 8.224 465 2HB LEU 65 1HB LEU 65 -1.038 7.355 7.355 466 HG LEU 65 HG LEU 65 -1.174 8.257 8.257 467 1HD1 LEU 65 1HD1 LEU 65 0.513 6.307 6.307 468 2HD1 LEU 65 3HD1 LEU 65 -0.921 5.383 5.383 469 3HD1 LEU 65 2HD1 LEU 65 -0.091 6.373 6.373 470 1HD2 LEU 65 3HD2 LEU 65 -2.883 6.595 6.595 471 2HD2 LEU 65 2HD2 LEU 65 -3.371 7.882 7.882 472 3HD2 LEU 65 1HD2 LEU 65 -2.919 6.303 6.303 473 H ASP 66 H ASP 66 -3.229 10.042 10.042 474 HA ASP 66 HA ASP 66 -1.380 11.173 11.173 475 1HB ASP 66 2HB ASP 66 -3.334 11.778 11.778 476 2HB ASP 66 1HB ASP 66 -4.003 11.441 11.441 477 H ARG 67 H ARG 67 -1.042 10.258 10.258 478 HA ARG 67 HA ARG 67 0.107 7.771 7.771 479 1HB ARG 67 2HB ARG 67 -0.643 7.924 7.924 480 2HB ARG 67 1HB ARG 67 0.288 9.272 9.272 481 1HG ARG 67 2HG ARG 67 -1.670 10.612 10.612 482 2HG ARG 67 1HG ARG 67 -2.734 9.234 9.234 483 1HD ARG 67 2HD ARG 67 -0.879 10.474 10.474 484 2HD ARG 67 1HD ARG 67 -2.648 10.614 10.614 485 HE ARG 67 HE ARG 67 -2.297 7.902 7.902 486 1HH1 ARG 67 1HH2 ARG 67 -1.910 10.411 10.411 487 2HH1 ARG 67 2HH2 ARG 67 -1.296 9.403 9.403 488 1HH2 ARG 67 2HH1 ARG 67 -1.080 6.575 6.575 489 2HH2 ARG 67 1HH1 ARG 67 -0.826 7.231 7.231 490 H ASP 68 H ASP 68 -3.383 8.412 8.412 491 HA ASP 68 HA ASP 68 -3.980 5.603 5.603 492 1HB ASP 68 2HB ASP 68 -5.602 8.085 8.085 493 2HB ASP 68 1HB ASP 68 -6.352 6.524 6.524 494 H GLU 69 H GLU 69 -3.899 7.695 7.695 495 HA GLU 69 HA GLU 69 -5.304 5.910 5.910 496 1HB GLU 69 2HB GLU 69 -3.779 8.444 8.444 497 2HB GLU 69 1HB GLU 69 -3.777 7.568 7.568 498 1HG GLU 69 2HG GLU 69 -6.223 7.445 7.445 499 2HG GLU 69 1HG GLU 69 -6.232 8.328 8.328 500 H PHE 70 H PHE 70 -1.891 6.726 6.726 501 HA PHE 70 HA PHE 70 -0.729 4.955 4.955 502 1HB PHE 70 2HB PHE 70 0.302 6.838 6.838 503 2HB PHE 70 1HB PHE 70 0.363 5.682 5.682 504 HD1 PHE 70 HD1 PHE 70 1.487 6.274 6.274 505 HD2 PHE 70 HD2 PHE 70 2.037 4.011 4.011 506 HE1 PHE 70 HE1 PHE 70 3.565 5.296 5.296 507 HE2 PHE 70 HE2 PHE 70 4.109 3.036 3.036 508 HZ PHE 70 HZ PHE 70 4.871 3.682 3.682 509 H ALA 71 H ALA 71 -2.377 4.394 4.394 510 HA ALA 71 HA ALA 71 -1.156 1.847 1.847 511 1HB ALA 71 1HB ALA 71 -3.143 3.682 3.682 512 2HB ALA 71 3HB ALA 71 -3.861 2.071 2.071 513 3HB ALA 71 2HB ALA 71 -2.388 2.352 2.352 514 H VAL 72 H VAL 72 -4.214 2.753 2.753 515 HA VAL 72 HA VAL 72 -5.117 0.114 0.114 516 HB VAL 72 HB VAL 72 -5.538 2.718 2.718 517 1HG1 VAL 72 2HG1 VAL 72 -6.389 0.128 0.128 518 2HG1 VAL 72 1HG1 VAL 72 -7.777 0.861 0.861 519 3HG1 VAL 72 3HG1 VAL 72 -7.081 1.625 1.625 520 1HG2 VAL 72 3HG2 VAL 72 -5.989 2.692 2.692 521 2HG2 VAL 72 2HG2 VAL 72 -7.331 3.187 3.187 522 3HG2 VAL 72 1HG2 VAL 72 -7.290 1.557 1.557 523 H ALA 73 H ALA 73 -2.649 2.100 2.100 524 HA ALA 73 HA ALA 73 -2.593 0.521 0.521 525 1HB ALA 73 2HB ALA 73 -1.685 3.075 3.075 526 2HB ALA 73 1HB ALA 73 -0.355 2.226 2.226 527 3HB ALA 73 3HB ALA 73 -1.852 2.547 2.547 528 H MET 74 H MET 74 -1.347 0.132 0.132 529 HA MET 74 HA MET 74 1.233 -1.043 -1.043 530 1HB MET 74 2HB MET 74 -0.210 -0.824 -0.824 531 2HB MET 74 1HB MET 74 1.448 -1.396 -1.396 532 1HG MET 74 2HG MET 74 0.902 1.170 1.170 533 2HG MET 74 1HG MET 74 0.746 1.230 1.230 534 1HE MET 74 2HE MET 74 2.450 0.371 0.371 535 2HE MET 74 1HE MET 74 4.130 0.856 0.856 536 3HE MET 74 3HE MET 74 3.636 -0.801 -0.801 537 H PHE 75 H PHE 75 -1.823 -2.182 -2.182 538 HA PHE 75 HA PHE 75 -0.987 -4.971 -4.971 539 1HB PHE 75 2HB PHE 75 -3.050 -5.375 -5.375 540 2HB PHE 75 1HB PHE 75 -2.726 -3.717 -3.717 541 HD1 PHE 75 HD1 PHE 75 -4.516 -5.775 -5.775 542 HD2 PHE 75 HD2 PHE 75 -4.169 -1.949 -1.949 543 HE1 PHE 75 HE1 PHE 75 -6.613 -5.037 -5.037 544 HE2 PHE 75 HE2 PHE 75 -6.265 -1.212 -1.212 545 HZ PHE 75 HZ PHE 75 -7.488 -2.759 -2.759 546 H LEU 76 H LEU 76 -2.809 -2.682 -2.682 547 HA LEU 76 HA LEU 76 -3.897 -4.467 -4.467 548 1HB LEU 76 2HB LEU 76 -2.944 -1.602 -1.602 549 2HB LEU 76 1HB LEU 76 -3.596 -2.329 -2.329 550 HG LEU 76 HG LEU 76 -5.038 -2.196 -2.196 551 1HD1 LEU 76 2HD1 LEU 76 -4.629 -0.054 -0.054 552 2HD1 LEU 76 1HD1 LEU 76 -5.886 -0.767 -0.767 553 3HD1 LEU 76 3HD1 LEU 76 -6.229 -0.368 -0.368 554 1HD2 LEU 76 2HD2 LEU 76 -5.384 -3.925 -3.925 555 2HD2 LEU 76 1HD2 LEU 76 -6.543 -3.627 -3.627 556 3HD2 LEU 76 3HD2 LEU 76 -6.628 -2.692 -2.692 557 H VAL 77 H VAL 77 -0.700 -3.158 -3.158 558 HA VAL 77 HA VAL 77 0.349 -4.242 -4.242 559 HB VAL 77 HB VAL 77 1.545 -2.695 -2.695 560 1HG1 VAL 77 3HG1 VAL 77 2.723 -3.806 -3.806 561 2HG1 VAL 77 2HG1 VAL 77 3.291 -2.239 -2.239 562 3HG1 VAL 77 1HG1 VAL 77 3.447 -3.667 -3.667 563 1HG2 VAL 77 2HG2 VAL 77 -0.232 -1.717 -1.717 564 2HG2 VAL 77 1HG2 VAL 77 1.183 -0.769 -0.769 565 3HG2 VAL 77 3HG2 VAL 77 1.161 -1.635 -1.635 566 H TYR 78 H TYR 78 0.800 -4.694 -4.694 567 HA TYR 78 HA TYR 78 2.677 -6.870 -6.870 568 1HB TYR 78 2HB TYR 78 1.278 -5.392 -5.392 569 2HB TYR 78 1HB TYR 78 1.614 -7.077 -7.077 570 HD1 TYR 78 HD2 TYR 78 4.066 -7.765 -7.765 571 HD2 TYR 78 HD1 TYR 78 2.915 -3.988 -3.988 572 HE1 TYR 78 HE2 TYR 78 6.459 -7.193 -7.193 573 HE2 TYR 78 HE1 TYR 78 5.298 -3.417 -3.417 574 HH TYR 78 HH TYR 78 7.828 -5.084 -5.084 575 H CYS 79 H CYS 79 -0.826 -6.677 -6.677 576 HA CYS 79 HA CYS 79 -1.141 -9.559 -9.559 577 1HB CYS 79 2HB CYS 79 -3.076 -7.352 -7.352 578 2HB CYS 79 1HB CYS 79 -3.546 -8.974 -8.974 579 HG CYS 79 HG CYS 79 -3.554 -7.329 -7.329 580 H ALA 80 H ALA 80 -0.714 -7.462 -7.462 581 HA ALA 80 HA ALA 80 -2.023 -9.203 -9.203 582 1HB ALA 80 3HB ALA 80 -0.618 -6.627 -6.627 583 2HB ALA 80 2HB ALA 80 -0.287 -7.513 -7.513 584 3HB ALA 80 1HB ALA 80 -1.948 -7.114 -7.114 585 H LEU 81 H LEU 81 0.960 -9.215 -9.215 586 HA LEU 81 HA LEU 81 2.460 -10.607 -10.607 587 1HB LEU 81 2HB LEU 81 3.017 -9.799 -9.799 588 2HB LEU 81 1HB LEU 81 4.197 -10.625 -10.625 589 HG LEU 81 HG LEU 81 3.028 -8.387 -8.387 590 1HD1 LEU 81 2HD1 LEU 81 2.853 -7.759 -7.759 591 2HD1 LEU 81 1HD1 LEU 81 4.611 -7.613 -7.613 592 3HD1 LEU 81 3HD1 LEU 81 3.598 -6.599 -6.599 593 1HD2 LEU 81 2HD2 LEU 81 5.584 -9.682 -9.682 594 2HD2 LEU 81 1HD2 LEU 81 5.073 -8.766 -8.766 595 3HD2 LEU 81 3HD2 LEU 81 5.733 -7.923 -7.923 596 H GLU 82 H GLU 82 1.271 -11.252 -11.252 597 HA GLU 82 HA GLU 82 2.075 -14.005 -14.005 598 1HB GLU 82 2HB GLU 82 0.680 -14.060 -14.060 599 2HB GLU 82 1HB GLU 82 1.584 -12.547 -12.547 600 1HG GLU 82 2HG GLU 82 -0.420 -11.455 -11.455 601 2HG GLU 82 1HG GLU 82 -1.312 -12.956 -12.956 602 H LYS 83 H LYS 83 -1.020 -12.396 -12.396 603 HA LYS 83 HA LYS 83 -1.768 -14.355 -14.355 604 1HB LYS 83 2HB LYS 83 -1.830 -15.956 -15.956 605 2HB LYS 83 1HB LYS 83 -2.640 -14.838 -14.838 606 1HG LYS 83 2HG LYS 83 -4.670 -14.922 -14.922 607 2HG LYS 83 1HG LYS 83 -3.868 -15.905 -15.905 608 1HD LYS 83 2HD LYS 83 -3.619 -17.061 -17.061 609 2HD LYS 83 1HD LYS 83 -5.303 -16.871 -16.871 610 1HE LYS 83 2HE LYS 83 -5.076 -18.733 -18.733 611 2HE LYS 83 1HE LYS 83 -3.914 -17.845 -17.845 612 1HZ LYS 83 2HZ LYS 83 -2.181 -18.375 -18.375 613 2HZ LYS 83 1HZ LYS 83 -3.292 -19.283 -19.283 614 3HZ LYS 83 3HZ LYS 83 -2.862 -19.789 -19.789 615 H GLU 84 H GLU 84 -3.026 -12.115 -12.115 616 HA GLU 84 HA GLU 84 -5.560 -11.767 -11.767 617 1HB GLU 84 2HB GLU 84 -4.250 -10.811 -10.811 618 2HB GLU 84 1HB GLU 84 -5.587 -9.852 -9.852 619 1HG GLU 84 2HG GLU 84 -6.869 -12.072 -12.072 620 2HG GLU 84 1HG GLU 84 -5.610 -12.753 -12.753 621 HA PRO 85 HA PRO 85 -3.584 -8.653 -8.653 622 1HB PRO 85 2HB PRO 85 -5.650 -8.518 -8.518 623 2HB PRO 85 1HB PRO 85 -4.415 -9.791 -9.791 624 1HG PRO 85 2HG PRO 85 -7.184 -9.882 -9.882 625 2HG PRO 85 1HG PRO 85 -6.287 -11.109 -11.109 626 1HD PRO 85 2HD PRO 85 -6.618 -11.203 -11.203 627 2HD PRO 85 1HD PRO 85 -5.212 -11.891 -11.891 628 H VAL 86 H VAL 86 -5.193 -6.774 -6.774 629 HA VAL 86 HA VAL 86 -6.359 -5.299 -5.299 630 HB VAL 86 HB VAL 86 -5.370 -4.356 -4.356 631 1HG1 VAL 86 2HG1 VAL 86 -6.122 -2.916 -2.916 632 2HG1 VAL 86 1HG1 VAL 86 -5.230 -2.153 -2.153 633 3HG1 VAL 86 3HG1 VAL 86 -6.870 -2.740 -2.740 634 1HG2 VAL 86 3HG2 VAL 86 -3.794 -5.472 -5.472 635 2HG2 VAL 86 2HG2 VAL 86 -3.256 -4.145 -4.145 636 3HG2 VAL 86 1HG2 VAL 86 -3.851 -3.818 -3.818 637 HA PRO 87 HA PRO 87 -10.176 -5.644 -5.644 638 1HB PRO 87 2HB PRO 87 -11.618 -3.750 -3.750 639 2HB PRO 87 1HB PRO 87 -11.172 -5.315 -5.315 640 1HG PRO 87 2HG PRO 87 -10.129 -2.646 -2.646 641 2HG PRO 87 1HG PRO 87 -10.063 -4.123 -4.123 642 1HD PRO 87 2HD PRO 87 -7.999 -2.973 -2.973 643 2HD PRO 87 1HD PRO 87 -7.929 -4.461 -4.461 644 H MET 88 H MET 88 -11.991 -3.681 -3.681 645 HA MET 88 HA MET 88 -10.377 -1.806 -1.806 646 1HB MET 88 2HB MET 88 -12.949 -3.307 -3.307 647 2HB MET 88 1HB MET 88 -12.202 -2.163 -2.163 648 1HG MET 88 2HG MET 88 -10.161 -3.555 -3.555 649 2HG MET 88 1HG MET 88 -10.919 -4.708 -4.708 650 1HE MET 88 3HE MET 88 -11.376 -2.617 -2.617 651 2HE MET 88 2HE MET 88 -12.231 -3.579 -3.579 652 3HE MET 88 1HE MET 88 -13.122 -2.865 -2.865 653 H SER 89 H SER 89 -12.212 -1.701 -1.701 654 HA SER 89 HA SER 89 -13.072 1.029 1.029 655 1HB SER 89 2HB SER 89 -14.664 -0.888 -0.888 656 2HB SER 89 1HB SER 89 -15.345 -0.752 -0.752 657 HG SER 89 HG SER 89 -15.640 1.457 1.457 658 H LEU 90 H LEU 90 -11.730 -0.764 -0.764 659 HA LEU 90 HA LEU 90 -11.498 -0.844 -0.844 660 1HB LEU 90 2HB LEU 90 -12.218 1.728 1.728 661 2HB LEU 90 1HB LEU 90 -13.120 1.469 1.469 662 HG LEU 90 HG LEU 90 -10.142 1.030 1.030 663 1HD1 LEU 90 3HD1 LEU 90 -11.704 3.298 3.298 664 2HD1 LEU 90 2HD1 LEU 90 -9.955 3.091 3.091 665 3HD1 LEU 90 1HD1 LEU 90 -10.711 3.409 3.409 666 1HD2 LEU 90 1HD2 LEU 90 -12.137 0.464 0.464 667 2HD2 LEU 90 3HD2 LEU 90 -10.526 -0.216 -0.216 668 3HD2 LEU 90 2HD2 LEU 90 -10.720 1.339 1.339 669 HA PRO 91 HA PRO 91 -15.411 -2.748 -2.748 670 1HB PRO 91 2HB PRO 91 -14.409 -4.142 -4.142 671 2HB PRO 91 1HB PRO 91 -14.227 -4.683 -4.683 672 1HG PRO 91 2HG PRO 91 -12.269 -3.330 -3.330 673 2HG PRO 91 1HG PRO 91 -12.010 -4.590 -4.590 674 1HD PRO 91 2HD PRO 91 -11.453 -1.934 -1.934 675 2HD PRO 91 1HD PRO 91 -11.814 -3.082 -3.082 676 HA PRO 92 HA PRO 92 -16.742 -0.194 -0.194 677 1HB PRO 92 2HB PRO 92 -18.376 -1.829 -1.829 678 2HB PRO 92 1HB PRO 92 -18.810 -1.203 -1.203 679 1HG PRO 92 2HG PRO 92 -17.767 -3.883 -3.883 680 2HG PRO 92 1HG PRO 92 -18.996 -3.450 -3.450 681 1HD PRO 92 2HD PRO 92 -16.424 -4.088 -4.088 682 2HD PRO 92 1HD PRO 92 -17.445 -3.013 -3.013 683 H ALA 93 H ALA 93 -14.991 -3.082 -3.082 684 HA ALA 93 HA ALA 93 -14.811 -2.345 -2.345 685 1HB ALA 93 3HB ALA 93 -14.756 -4.691 -4.691 686 2HB ALA 93 2HB ALA 93 -13.072 -4.468 -4.468 687 3HB ALA 93 1HB ALA 93 -14.338 -4.553 -4.553 688 H LEU 94 H LEU 94 -13.423 -0.987 -0.987 689 HA LEU 94 HA LEU 94 -10.659 -0.986 -0.986 690 1HB LEU 94 2HB LEU 94 -11.869 -0.783 -0.783 691 2HB LEU 94 1HB LEU 94 -10.309 -0.009 -0.009 692 HG LEU 94 HG LEU 94 -10.240 -2.444 -2.444 693 1HD1 LEU 94 2HD1 LEU 94 -8.917 -1.505 -1.505 694 2HD1 LEU 94 1HD1 LEU 94 -8.455 -2.997 -2.997 695 3HD1 LEU 94 3HD1 LEU 94 -8.263 -1.444 -1.444 696 1HD2 LEU 94 3HD2 LEU 94 -12.129 -3.073 -3.073 697 2HD2 LEU 94 2HD2 LEU 94 -10.746 -4.166 -4.166 698 3HD2 LEU 94 1HD2 LEU 94 -10.907 -3.003 -3.003 699 H VAL 95 H VAL 95 -13.429 1.010 1.010 700 HA VAL 95 HA VAL 95 -11.968 3.537 3.537 701 HB VAL 95 HB VAL 95 -14.903 3.118 3.118 702 1HG1 VAL 95 1HG1 VAL 95 -13.949 5.423 5.423 703 2HG1 VAL 95 3HG1 VAL 95 -13.397 5.204 5.204 704 3HG1 VAL 95 2HG1 VAL 95 -15.124 5.211 5.211 705 1HG2 VAL 95 1HG2 VAL 95 -13.327 2.379 2.379 706 2HG2 VAL 95 3HG2 VAL 95 -14.933 1.843 1.843 707 3HG2 VAL 95 2HG2 VAL 95 -14.736 3.385 3.385 708 HA PRO 96 HA PRO 96 -11.627 3.827 3.827 709 1HB PRO 96 2HB PRO 96 -10.551 6.354 6.354 710 2HB PRO 96 1HB PRO 96 -9.606 4.903 4.903 711 1HG PRO 96 2HG PRO 96 -10.803 6.931 6.931 712 2HG PRO 96 1HG PRO 96 -9.244 6.098 6.098 713 1HD PRO 96 2HD PRO 96 -11.411 5.397 5.397 714 2HD PRO 96 1HD PRO 96 -10.145 4.247 4.247 715 HA PRO 97 HA PRO 97 -15.077 6.240 6.240 716 1HB PRO 97 2HB PRO 97 -14.179 7.833 7.833 717 2HB PRO 97 1HB PRO 97 -14.438 6.084 6.084 718 1HG PRO 97 2HG PRO 97 -11.902 7.580 7.580 719 2HG PRO 97 1HG PRO 97 -12.211 6.216 6.216 720 1HD PRO 97 2HD PRO 97 -11.017 5.886 5.886 721 2HD PRO 97 1HD PRO 97 -12.101 4.657 4.657 722 H SER 98 H SER 98 -15.952 8.535 8.535 723 HA SER 98 HA SER 98 -16.098 10.768 10.768 724 1HB SER 98 2HB SER 98 -14.145 11.882 11.882 725 2HB SER 98 1HB SER 98 -13.400 10.313 10.313 726 HG SER 98 HG SER 98 -12.372 11.488 11.488 727 H LYS 99 H LYS 99 -13.866 8.939 8.939 728 HA LYS 99 HA LYS 99 -15.222 10.005 10.005 729 1HB LYS 99 2HB LYS 99 -12.797 8.333 8.333 730 2HB LYS 99 1HB LYS 99 -13.412 8.388 8.388 731 1HG LYS 99 2HG LYS 99 -13.065 10.985 10.985 732 2HG LYS 99 1HG LYS 99 -11.610 10.156 10.156 733 1HD LYS 99 2HD LYS 99 -13.110 9.904 9.904 734 2HD LYS 99 1HD LYS 99 -13.800 11.398 11.398 735 1HE LYS 99 2HE LYS 99 -10.813 11.160 11.160 736 2HE LYS 99 1HE LYS 99 -11.647 11.466 11.466 737 1HZ LYS 99 2HZ LYS 99 -12.963 13.185 13.185 738 2HZ LYS 99 1HZ LYS 99 -11.760 13.055 13.055 739 3HZ LYS 99 3HZ LYS 99 -11.352 13.578 13.578 740 H ARG 100 H ARG 100 -16.241 7.925 7.925 741 HA ARG 100 HA ARG 100 -16.551 5.357 5.357 742 1HB ARG 100 2HB ARG 100 -18.392 7.190 7.190 743 2HB ARG 100 1HB ARG 100 -18.801 5.503 5.503 744 1HG ARG 100 2HG ARG 100 -16.080 5.682 5.682 745 2HG ARG 100 1HG ARG 100 -17.154 6.511 6.511 746 1HD ARG 100 2HD ARG 100 -17.044 4.165 4.165 747 2HD ARG 100 1HD ARG 100 -18.645 4.451 4.451 748 HE ARG 100 HE ARG 100 -16.687 3.702 3.702 749 1HH1 ARG 100 1HH2 ARG 100 -19.565 2.885 2.885 750 2HH1 ARG 100 2HH2 ARG 100 -19.441 1.181 1.181 751 1HH2 ARG 100 2HH1 ARG 100 -16.184 1.346 1.346 752 2HH2 ARG 100 1HH1 ARG 100 -17.527 0.311 0.311 Start of MODEL 12 1 HA PRO 6 HA PRO 6 -14.592 -1.439 -1.439 2 1HB PRO 6 2HB PRO 6 -12.573 -3.234 -3.234 3 2HB PRO 6 1HB PRO 6 -14.055 -3.199 -3.199 4 1HG PRO 6 2HG PRO 6 -13.316 -5.004 -5.004 5 2HG PRO 6 1HG PRO 6 -14.161 -5.374 -5.374 6 1HD PRO 6 2HD PRO 6 -15.434 -5.063 -5.063 7 2HD PRO 6 1HD PRO 6 -16.195 -4.707 -4.707 8 H TRP 7 H TRP 7 -11.871 -1.409 -1.409 9 HA TRP 7 HA TRP 7 -11.561 -0.655 -0.655 10 1HB TRP 7 2HB TRP 7 -10.787 0.713 0.713 11 2HB TRP 7 1HB TRP 7 -9.599 -0.546 -0.546 12 HD1 TRP 7 HD1 TRP 7 -10.177 -0.175 -0.175 13 HE1 TRP 7 HE1 TRP 7 -8.242 1.116 1.116 14 HE3 TRP 7 HE3 TRP 7 -7.834 1.598 1.598 15 HZ2 TRP 7 HZ2 TRP 7 -5.986 2.704 2.704 16 HZ3 TRP 7 HZ3 TRP 7 -5.795 2.998 2.998 17 HH2 TRP 7 HH2 TRP 7 -4.870 3.551 3.551 18 H ALA 8 H ALA 8 -10.830 -2.120 -2.120 19 HA ALA 8 HA ALA 8 -10.038 -4.742 -4.742 20 1HB ALA 8 1HB ALA 8 -10.188 -2.880 -2.880 21 2HB ALA 8 3HB ALA 8 -8.510 -3.419 -3.419 22 3HB ALA 8 2HB ALA 8 -9.819 -4.594 -4.594 23 H VAL 9 H VAL 9 -8.145 -1.825 -1.825 24 HA VAL 9 HA VAL 9 -5.624 -3.353 -3.353 25 HB VAL 9 HB VAL 9 -6.423 -0.435 -0.435 26 1HG1 VAL 9 2HG1 VAL 9 -3.678 -1.609 -1.609 27 2HG1 VAL 9 1HG1 VAL 9 -4.019 0.098 0.098 28 3HG1 VAL 9 3HG1 VAL 9 -4.659 -0.706 -0.706 29 1HG2 VAL 9 2HG2 VAL 9 -6.131 -1.878 -1.878 30 2HG2 VAL 9 1HG2 VAL 9 -5.199 -0.382 -0.382 31 3HG2 VAL 9 3HG2 VAL 9 -4.416 -1.925 -1.925 32 H LYS 10 H LYS 10 -4.892 -3.959 -3.959 33 HA LYS 10 HA LYS 10 -6.411 -3.114 -3.114 34 1HB LYS 10 2HB LYS 10 -4.840 -5.387 -5.387 35 2HB LYS 10 1HB LYS 10 -4.393 -4.926 -4.926 36 1HG LYS 10 2HG LYS 10 -7.163 -4.772 -4.772 37 2HG LYS 10 1HG LYS 10 -6.852 -6.183 -6.183 38 1HD LYS 10 2HD LYS 10 -5.060 -6.240 -6.240 39 2HD LYS 10 1HD LYS 10 -6.710 -6.019 -6.019 40 1HE LYS 10 2HE LYS 10 -7.464 -8.029 -8.029 41 2HE LYS 10 1HE LYS 10 -6.065 -8.112 -8.112 42 1HZ LYS 10 1HZ LYS 10 -4.658 -8.219 -8.219 43 2HZ LYS 10 3HZ LYS 10 -6.078 -8.444 -8.444 44 3HZ LYS 10 2HZ LYS 10 -5.622 -9.592 -9.592 45 HA PRO 11 HA PRO 11 -3.249 -0.583 -0.583 46 1HB PRO 11 2HB PRO 11 -2.601 -1.714 -1.714 47 2HB PRO 11 1HB PRO 11 -4.119 -0.836 -0.836 48 1HG PRO 11 2HG PRO 11 -3.605 -3.775 -3.775 49 2HG PRO 11 1HG PRO 11 -4.969 -2.865 -2.865 50 1HD PRO 11 2HD PRO 11 -5.142 -4.188 -4.188 51 2HD PRO 11 1HD PRO 11 -6.026 -2.676 -2.676 52 H GLU 12 H GLU 12 -2.470 -4.044 -4.044 53 HA GLU 12 HA GLU 12 0.409 -3.655 -3.655 54 1HB GLU 12 2HB GLU 12 0.391 -6.108 -6.108 55 2HB GLU 12 1HB GLU 12 -0.762 -5.660 -5.660 56 1HG GLU 12 2HG GLU 12 -2.331 -6.731 -6.731 57 2HG GLU 12 1HG GLU 12 -2.213 -5.397 -5.397 58 H ASP 13 H ASP 13 -1.934 -3.866 -3.866 59 HA ASP 13 HA ASP 13 0.116 -4.270 -4.270 60 1HB ASP 13 2HB ASP 13 -2.860 -4.070 -4.070 61 2HB ASP 13 1HB ASP 13 -2.146 -3.710 -3.710 62 H LYS 14 H LYS 14 -1.940 -1.705 -1.705 63 HA LYS 14 HA LYS 14 -1.075 0.303 0.303 64 1HB LYS 14 2HB LYS 14 -3.178 -0.007 -0.007 65 2HB LYS 14 1HB LYS 14 -2.163 1.043 1.043 66 1HG LYS 14 2HG LYS 14 -2.645 1.701 1.701 67 2HG LYS 14 1HG LYS 14 -3.841 2.140 2.140 68 1HD LYS 14 2HD LYS 14 -1.356 2.894 2.894 69 2HD LYS 14 1HD LYS 14 -1.309 3.409 3.409 70 1HE LYS 14 2HE LYS 14 -2.773 5.091 5.091 71 2HE LYS 14 1HE LYS 14 -3.900 3.984 3.984 72 1HZ LYS 14 3HZ LYS 14 -2.278 3.990 3.990 73 2HZ LYS 14 2HZ LYS 14 -1.505 5.303 5.303 74 3HZ LYS 14 1HZ LYS 14 -3.119 5.445 5.445 75 H ALA 15 H ALA 15 0.268 -1.128 -1.128 76 HA ALA 15 HA ALA 15 1.814 1.145 1.145 77 1HB ALA 15 1HB ALA 15 1.372 -1.688 -1.688 78 2HB ALA 15 3HB ALA 15 3.071 -1.245 -1.245 79 3HB ALA 15 2HB ALA 15 1.836 -0.392 -0.392 80 H LYS 16 H LYS 16 2.411 -1.620 -1.620 81 HA LYS 16 HA LYS 16 5.170 -0.821 -0.821 82 1HB LYS 16 2HB LYS 16 5.202 -2.963 -2.963 83 2HB LYS 16 1HB LYS 16 3.523 -3.092 -3.092 84 1HG LYS 16 2HG LYS 16 2.703 -2.628 -2.628 85 2HG LYS 16 1HG LYS 16 4.231 -1.936 -1.936 86 1HD LYS 16 2HD LYS 16 3.854 -4.210 -4.210 87 2HD LYS 16 1HD LYS 16 5.292 -4.138 -4.138 88 1HE LYS 16 2HE LYS 16 4.354 -5.981 -5.981 89 2HE LYS 16 1HE LYS 16 3.363 -4.778 -4.778 90 1HZ LYS 16 2HZ LYS 16 2.575 -5.593 -5.593 91 2HZ LYS 16 1HZ LYS 16 2.241 -6.654 -6.654 92 3HZ LYS 16 3HZ LYS 16 1.606 -5.081 -5.081 93 H TYR 17 H TYR 17 1.975 -0.199 -0.199 94 HA TYR 17 HA TYR 17 2.761 0.864 0.864 95 1HB TYR 17 2HB TYR 17 0.333 1.267 1.267 96 2HB TYR 17 1HB TYR 17 0.423 1.779 1.779 97 HD1 TYR 17 HD1 TYR 17 2.342 -1.127 -1.127 98 HD2 TYR 17 HD2 TYR 17 -1.750 0.166 0.166 99 HE1 TYR 17 HE1 TYR 17 1.627 -3.382 -3.382 100 HE2 TYR 17 HE2 TYR 17 -2.472 -2.090 -2.090 101 HH TYR 17 HH TYR 17 -0.109 -4.576 -4.576 102 H ASP 18 H ASP 18 2.521 2.085 2.085 103 HA ASP 18 HA ASP 18 2.671 4.922 4.922 104 1HB ASP 18 2HB ASP 18 2.087 3.267 3.267 105 2HB ASP 18 1HB ASP 18 3.404 4.344 4.344 106 H ALA 19 H ALA 19 4.896 2.359 2.359 107 HA ALA 19 HA ALA 19 7.189 4.134 4.134 108 1HB ALA 19 3HB ALA 19 6.964 1.862 1.862 109 2HB ALA 19 2HB ALA 19 6.979 1.162 1.162 110 3HB ALA 19 1HB ALA 19 8.413 1.980 1.980 111 H ILE 20 H ILE 20 5.765 2.221 2.221 112 HA ILE 20 HA ILE 20 7.826 2.751 2.751 113 HB ILE 20 HB ILE 20 4.943 1.799 1.799 114 1HG1 ILE 20 2HG1 ILE 20 7.546 0.273 0.273 115 2HG1 ILE 20 1HG1 ILE 20 6.607 0.334 0.334 116 1HG2 ILE 20 1HG2 ILE 20 7.037 1.843 1.843 117 2HG2 ILE 20 3HG2 ILE 20 5.487 1.016 1.016 118 3HG2 ILE 20 2HG2 ILE 20 5.542 2.771 2.771 119 1HD1 ILE 20 1HD1 ILE 20 5.533 -0.642 -0.642 120 2HD1 ILE 20 3HD1 ILE 20 6.109 -1.697 -1.697 121 3HD1 ILE 20 2HD1 ILE 20 4.690 -0.680 -0.680 122 H PHE 21 H PHE 21 4.763 4.124 4.124 123 HA PHE 21 HA PHE 21 4.381 6.014 6.014 124 1HB PHE 21 2HB PHE 21 2.485 5.701 5.701 125 2HB PHE 21 1HB PHE 21 3.415 5.490 5.490 126 HD1 PHE 21 HD2 PHE 21 4.477 7.535 7.535 127 HD2 PHE 21 HD1 PHE 21 1.543 7.811 7.811 128 HE1 PHE 21 HE2 PHE 21 4.034 9.892 9.892 129 HE2 PHE 21 HE1 PHE 21 1.098 10.170 10.170 130 HZ PHE 21 HZ PHE 21 2.350 11.209 11.209 131 H ASP 22 H ASP 22 6.073 6.107 6.107 132 HA ASP 22 HA ASP 22 6.965 8.889 8.889 133 1HB ASP 22 2HB ASP 22 6.357 8.321 8.321 134 2HB ASP 22 1HB ASP 22 7.220 6.781 6.781 135 H SER 23 H SER 23 7.893 5.983 5.983 136 HA SER 23 HA SER 23 10.826 6.399 6.399 137 1HB SER 23 2HB SER 23 8.933 4.242 4.242 138 2HB SER 23 1HB SER 23 10.357 4.262 4.262 139 HG SER 23 HG SER 23 11.645 4.102 4.102 140 H LEU 24 H LEU 24 8.373 7.610 7.610 141 HA LEU 24 HA LEU 24 10.028 7.857 7.857 142 1HB LEU 24 2HB LEU 24 7.152 8.536 8.536 143 2HB LEU 24 1HB LEU 24 8.087 7.554 7.554 144 HG LEU 24 HG LEU 24 7.179 6.610 6.610 145 1HD1 LEU 24 3HD1 LEU 24 5.446 7.149 7.149 146 2HD1 LEU 24 2HD1 LEU 24 5.985 5.563 5.563 147 3HD1 LEU 24 1HD1 LEU 24 5.258 5.741 5.741 148 1HD2 LEU 24 1HD2 LEU 24 9.074 5.620 5.620 149 2HD2 LEU 24 3HD2 LEU 24 8.447 4.794 4.794 150 3HD2 LEU 24 2HD2 LEU 24 7.658 4.578 4.578 151 H SER 25 H SER 25 9.033 9.432 9.432 152 HA SER 25 HA SER 25 9.362 11.698 11.698 153 1HB SER 25 2HB SER 25 10.647 11.487 11.487 154 2HB SER 25 1HB SER 25 9.488 12.782 12.782 155 HG SER 25 HG SER 25 11.779 12.949 12.949 156 HA PRO 26 HA PRO 26 4.947 12.125 12.125 157 1HB PRO 26 2HB PRO 26 4.206 12.633 12.633 158 2HB PRO 26 1HB PRO 26 4.432 10.987 10.987 159 1HG PRO 26 2HG PRO 26 6.235 12.633 12.633 160 2HG PRO 26 1HG PRO 26 5.927 10.891 10.891 161 1HD PRO 26 2HD PRO 26 8.149 12.045 12.045 162 2HD PRO 26 1HD PRO 26 7.504 10.454 10.454 163 H VAL 27 H VAL 27 3.767 14.046 14.046 164 HA VAL 27 HA VAL 27 5.174 16.544 16.544 165 HB VAL 27 HB VAL 27 3.369 16.043 16.043 166 1HG1 VAL 27 2HG1 VAL 27 3.618 18.410 18.410 167 2HG1 VAL 27 1HG1 VAL 27 5.236 18.374 18.374 168 3HG1 VAL 27 3HG1 VAL 27 3.818 18.249 18.249 169 1HG2 VAL 27 1HG2 VAL 27 6.320 15.861 15.861 170 2HG2 VAL 27 3HG2 VAL 27 5.283 14.922 14.922 171 3HG2 VAL 27 2HG2 VAL 27 5.759 16.562 16.562 172 H ASN 28 H ASN 28 4.020 17.222 17.222 173 HA ASN 28 HA ASN 28 2.162 17.898 17.898 174 1HB ASN 28 2HB ASN 28 1.896 19.404 19.404 175 2HB ASN 28 1HB ASN 28 1.102 18.137 18.137 176 1HD2 ASN 28 1HD2 ASN 28 -1.151 17.900 17.900 177 2HD2 ASN 28 2HD2 ASN 28 -2.067 18.748 18.748 178 H GLY 29 H GLY 29 2.484 14.994 14.994 179 1HA GLY 29 2HA GLY 29 1.241 13.101 13.101 180 2HA GLY 29 1HA GLY 29 -0.213 14.101 14.101 181 H PHE 30 H PHE 30 2.011 13.928 13.928 182 HA PHE 30 HA PHE 30 0.133 12.209 12.209 183 1HB PHE 30 2HB PHE 30 0.794 15.104 15.104 184 2HB PHE 30 1HB PHE 30 0.190 14.058 14.058 185 HD1 PHE 30 HD2 PHE 30 -2.034 13.063 13.063 186 HD2 PHE 30 HD1 PHE 30 -0.603 15.729 15.729 187 HE1 PHE 30 HE2 PHE 30 -4.352 13.331 13.331 188 HE2 PHE 30 HE1 PHE 30 -2.899 15.993 15.993 189 HZ PHE 30 HZ PHE 30 -4.788 14.800 14.800 190 H LEU 31 H LEU 31 1.087 11.270 11.270 191 HA LEU 31 HA LEU 31 4.031 11.765 11.765 192 1HB LEU 31 2HB LEU 31 2.348 9.264 9.264 193 2HB LEU 31 1HB LEU 31 3.917 9.326 9.326 194 HG LEU 31 HG LEU 31 3.524 10.077 10.077 195 1HD1 LEU 31 2HD1 LEU 31 3.587 7.465 7.465 196 2HD1 LEU 31 1HD1 LEU 31 4.984 7.682 7.682 197 3HD1 LEU 31 3HD1 LEU 31 3.356 7.875 7.875 198 1HD2 LEU 31 3HD2 LEU 31 5.831 9.812 9.812 199 2HD2 LEU 31 2HD2 LEU 31 5.542 11.024 11.024 200 3HD2 LEU 31 1HD2 LEU 31 6.088 9.405 9.405 201 H SER 32 H SER 32 4.613 12.432 12.432 202 HA SER 32 HA SER 32 2.611 12.848 12.848 203 1HB SER 32 2HB SER 32 5.197 13.326 13.326 204 2HB SER 32 1HB SER 32 4.086 14.517 14.517 205 HG SER 32 HG SER 32 5.429 14.680 14.680 206 H GLY 33 H GLY 33 2.323 11.680 11.680 207 1HA GLY 33 2HA GLY 33 2.988 8.996 8.996 208 2HA GLY 33 1HA GLY 33 2.737 10.037 10.037 209 H ASP 34 H ASP 34 5.046 11.770 11.770 210 HA ASP 34 HA ASP 34 7.117 10.590 10.590 211 1HB ASP 34 2HB ASP 34 6.969 12.964 12.964 212 2HB ASP 34 1HB ASP 34 7.014 12.767 12.767 213 H LYS 35 H LYS 35 6.171 10.058 10.058 214 HA LYS 35 HA LYS 35 8.757 8.647 8.647 215 1HB LYS 35 2HB LYS 35 7.379 8.923 8.923 216 2HB LYS 35 1HB LYS 35 8.721 9.925 9.925 217 1HG LYS 35 2HG LYS 35 6.882 11.305 11.305 218 2HG LYS 35 1HG LYS 35 5.768 10.494 10.494 219 1HD LYS 35 2HD LYS 35 6.313 12.327 12.327 220 2HD LYS 35 1HD LYS 35 7.605 11.238 11.238 221 1HE LYS 35 2HE LYS 35 8.606 12.413 12.413 222 2HE LYS 35 1HE LYS 35 7.788 13.748 13.748 223 1HZ LYS 35 2HZ LYS 35 9.304 11.917 11.917 224 2HZ LYS 35 1HZ LYS 35 10.226 12.918 12.918 225 3HZ LYS 35 3HZ LYS 35 9.151 13.605 13.605 226 H VAL 36 H VAL 36 5.242 8.436 8.436 227 HA VAL 36 HA VAL 36 5.226 5.724 5.724 228 HB VAL 36 HB VAL 36 3.145 7.427 7.427 229 1HG1 VAL 36 3HG1 VAL 36 3.133 4.644 4.644 230 2HG1 VAL 36 2HG1 VAL 36 1.879 5.591 5.591 231 3HG1 VAL 36 1HG1 VAL 36 1.941 5.522 5.522 232 1HG2 VAL 36 1HG2 VAL 36 3.931 6.977 6.977 233 2HG2 VAL 36 3HG2 VAL 36 3.726 8.507 8.507 234 3HG2 VAL 36 2HG2 VAL 36 2.315 7.537 7.537 235 H LYS 37 H LYS 37 4.476 7.141 7.141 236 HA LYS 37 HA LYS 37 3.935 4.890 4.890 237 1HB LYS 37 2HB LYS 37 4.089 7.308 7.308 238 2HB LYS 37 1HB LYS 37 5.834 7.098 7.098 239 1HG LYS 37 2HG LYS 37 5.145 4.986 4.986 240 2HG LYS 37 1HG LYS 37 3.669 5.920 5.920 241 1HD LYS 37 2HD LYS 37 4.987 7.831 7.831 242 2HD LYS 37 1HD LYS 37 6.479 6.928 6.928 243 1HE LYS 37 2HE LYS 37 5.582 5.158 5.158 244 2HE LYS 37 1HE LYS 37 4.286 6.300 6.300 245 1HZ LYS 37 2HZ LYS 37 6.874 7.534 7.534 246 2HZ LYS 37 1HZ LYS 37 6.790 6.289 6.289 247 3HZ LYS 37 3HZ LYS 37 5.689 7.577 7.577 248 HA PRO 38 HA PRO 38 8.635 3.919 3.919 249 1HB PRO 38 2HB PRO 38 10.300 4.987 4.987 250 2HB PRO 38 1HB PRO 38 9.982 5.780 5.780 251 1HG PRO 38 2HG PRO 38 8.786 6.320 6.320 252 2HG PRO 38 1HG PRO 38 9.322 7.462 7.462 253 1HD PRO 38 2HD PRO 38 6.730 6.861 6.861 254 2HD PRO 38 1HD PRO 38 7.403 7.224 7.224 255 H VAL 39 H VAL 39 7.256 4.528 4.528 256 HA VAL 39 HA VAL 39 8.453 2.258 2.258 257 HB VAL 39 HB VAL 39 6.329 4.340 4.340 258 1HG1 VAL 39 1HG1 VAL 39 6.513 1.736 1.736 259 2HG1 VAL 39 3HG1 VAL 39 6.296 3.164 3.164 260 3HG1 VAL 39 2HG1 VAL 39 5.122 2.793 2.793 261 1HG2 VAL 39 3HG2 VAL 39 8.970 4.369 4.369 262 2HG2 VAL 39 2HG2 VAL 39 7.822 5.258 5.258 263 3HG2 VAL 39 1HG2 VAL 39 8.430 3.688 3.688 264 H LEU 40 H LEU 40 5.959 2.613 2.613 265 HA LEU 40 HA LEU 40 4.517 0.179 0.179 266 1HB LEU 40 2HB LEU 40 4.001 2.266 2.266 267 2HB LEU 40 1HB LEU 40 2.948 0.882 0.882 268 HG LEU 40 HG LEU 40 3.672 2.943 2.943 269 1HD1 LEU 40 2HD1 LEU 40 1.151 2.627 2.627 270 2HD1 LEU 40 1HD1 LEU 40 1.354 3.755 3.755 271 3HD1 LEU 40 3HD1 LEU 40 2.312 3.948 3.948 272 1HD2 LEU 40 2HD2 LEU 40 2.676 0.350 0.350 273 2HD2 LEU 40 1HD2 LEU 40 2.557 1.627 1.627 274 3HD2 LEU 40 3HD2 LEU 40 1.233 1.362 1.362 275 H LEU 41 H LEU 41 6.949 1.251 1.251 276 HA LEU 41 HA LEU 41 6.603 -0.889 -0.889 277 1HB LEU 41 2HB LEU 41 8.730 1.202 1.202 278 2HB LEU 41 1HB LEU 41 8.764 0.116 0.116 279 HG LEU 41 HG LEU 41 6.245 1.631 1.631 280 1HD1 LEU 41 1HD1 LEU 41 8.841 2.898 2.898 281 2HD1 LEU 41 3HD1 LEU 41 7.856 3.287 3.287 282 3HD1 LEU 41 2HD1 LEU 41 7.257 3.643 3.643 283 1HD2 LEU 41 1HD2 LEU 41 7.456 0.061 0.061 284 2HD2 LEU 41 3HD2 LEU 41 5.917 0.920 0.920 285 3HD2 LEU 41 2HD2 LEU 41 7.403 1.710 1.710 286 H ASN 42 H ASN 42 8.597 -0.177 -0.177 287 HA ASN 42 HA ASN 42 10.429 -2.376 -2.376 288 1HB ASN 42 2HB ASN 42 11.214 -1.763 -1.763 289 2HB ASN 42 1HB ASN 42 10.701 -0.263 -0.263 290 1HD2 ASN 42 1HD2 ASN 42 8.683 0.697 0.697 291 2HD2 ASN 42 2HD2 ASN 42 7.971 0.275 0.275 292 H SER 43 H SER 43 7.162 -2.381 -2.381 293 HA SER 43 HA SER 43 7.053 -4.575 -4.575 294 1HB SER 43 2HB SER 43 4.920 -3.488 -3.488 295 2HB SER 43 1HB SER 43 4.680 -4.312 -4.312 296 HG SER 43 HG SER 43 5.198 -1.700 -1.700 297 H LYS 44 H LYS 44 8.076 -4.546 -4.546 298 HA LYS 44 HA LYS 44 8.350 -6.266 -6.266 299 1HB LYS 44 2HB LYS 44 8.334 -7.450 -7.450 300 2HB LYS 44 1HB LYS 44 6.911 -8.215 -8.215 301 1HG LYS 44 2HG LYS 44 8.365 -8.699 -8.699 302 2HG LYS 44 1HG LYS 44 9.746 -8.239 -8.239 303 1HD LYS 44 2HD LYS 44 9.258 -9.990 -9.990 304 2HD LYS 44 1HD LYS 44 7.742 -10.373 -10.373 305 1HE LYS 44 2HE LYS 44 8.935 -11.143 -11.143 306 2HE LYS 44 1HE LYS 44 10.484 -10.624 -10.624 307 1HZ LYS 44 3HZ LYS 44 9.945 -12.073 -12.073 308 2HZ LYS 44 2HZ LYS 44 8.646 -12.705 -12.705 309 3HZ LYS 44 1HZ LYS 44 10.242 -12.918 -12.918 310 H LEU 45 H LEU 45 5.601 -4.798 -4.798 311 HA LEU 45 HA LEU 45 3.768 -6.614 -6.614 312 1HB LEU 45 2HB LEU 45 3.545 -4.251 -4.251 313 2HB LEU 45 1HB LEU 45 2.213 -4.591 -4.591 314 HG LEU 45 HG LEU 45 3.408 -6.603 -6.603 315 1HD1 LEU 45 2HD1 LEU 45 1.878 -4.463 -4.463 316 2HD1 LEU 45 1HD1 LEU 45 0.625 -5.635 -5.635 317 3HD1 LEU 45 3HD1 LEU 45 1.823 -6.009 -6.009 318 1HD2 LEU 45 3HD2 LEU 45 2.057 -7.103 -7.103 319 2HD2 LEU 45 2HD2 LEU 45 1.974 -8.147 -8.147 320 3HD2 LEU 45 1HD2 LEU 45 0.714 -6.950 -6.950 321 HA PRO 46 HA PRO 46 4.117 -4.187 -4.187 322 1HB PRO 46 2HB PRO 46 1.614 -4.518 -4.518 323 2HB PRO 46 1HB PRO 46 2.856 -5.785 -5.785 324 1HG PRO 46 2HG PRO 46 0.486 -5.479 -5.479 325 2HG PRO 46 1HG PRO 46 1.248 -6.945 -6.945 326 1HD PRO 46 2HD PRO 46 1.565 -6.010 -6.010 327 2HD PRO 46 1HD PRO 46 2.707 -7.088 -7.088 328 H VAL 47 H VAL 47 3.218 -2.209 -2.209 329 HA VAL 47 HA VAL 47 2.528 -0.182 -0.182 330 HB VAL 47 HB VAL 47 2.557 -0.446 -0.446 331 1HG1 VAL 47 3HG1 VAL 47 1.525 1.820 1.820 332 2HG1 VAL 47 2HG1 VAL 47 2.363 2.172 2.172 333 3HG1 VAL 47 1HG1 VAL 47 0.897 1.189 1.189 334 1HG2 VAL 47 1HG2 VAL 47 4.220 0.965 0.965 335 2HG2 VAL 47 3HG2 VAL 47 4.729 -0.310 -0.310 336 3HG2 VAL 47 2HG2 VAL 47 4.384 1.305 1.305 337 H ASP 48 H ASP 48 0.552 -2.584 -2.584 338 HA ASP 48 HA ASP 48 -1.902 -1.033 -1.033 339 1HB ASP 48 2HB ASP 48 -0.964 -3.832 -3.832 340 2HB ASP 48 1HB ASP 48 -2.654 -3.619 -3.619 341 H ILE 49 H ILE 49 -0.377 -3.163 -3.163 342 HA ILE 49 HA ILE 49 -2.500 -3.091 -3.091 343 HB ILE 49 HB ILE 49 0.479 -3.309 -3.309 344 1HG1 ILE 49 2HG1 ILE 49 0.118 -4.818 -4.818 345 2HG1 ILE 49 1HG1 ILE 49 0.048 -5.810 -5.810 346 1HG2 ILE 49 3HG2 ILE 49 -1.955 -3.763 -3.763 347 2HG2 ILE 49 2HG2 ILE 49 -0.916 -5.189 -5.189 348 3HG2 ILE 49 1HG2 ILE 49 -0.285 -3.647 -3.647 349 1HD1 ILE 49 2HD1 ILE 49 -2.394 -4.647 -4.647 350 2HD1 ILE 49 1HD1 ILE 49 -1.795 -6.283 -6.283 351 3HD1 ILE 49 3HD1 ILE 49 -2.370 -5.814 -5.814 352 H LEU 50 H LEU 50 0.433 -1.226 -1.226 353 HA LEU 50 HA LEU 50 0.167 0.575 0.575 354 1HB LEU 50 2HB LEU 50 1.470 1.140 1.140 355 2HB LEU 50 1HB LEU 50 1.984 1.698 1.698 356 HG LEU 50 HG LEU 50 2.279 -1.026 -1.026 357 1HD1 LEU 50 1HD1 LEU 50 4.078 0.819 0.819 358 2HD1 LEU 50 3HD1 LEU 50 4.550 -0.780 -0.780 359 3HD1 LEU 50 2HD1 LEU 50 4.164 0.494 0.494 360 1HD2 LEU 50 1HD2 LEU 50 1.724 -0.402 -0.402 361 2HD2 LEU 50 3HD2 LEU 50 1.442 -1.891 -1.891 362 3HD2 LEU 50 2HD2 LEU 50 3.057 -1.511 -1.511 363 H GLY 51 H GLY 51 -1.373 0.366 0.366 364 1HA GLY 51 2HA GLY 51 -2.283 3.180 3.180 365 2HA GLY 51 1HA GLY 51 -2.657 2.010 2.010 366 H ARG 52 H ARG 52 -3.396 -0.041 -0.041 367 HA ARG 52 HA ARG 52 -6.175 0.896 0.896 368 1HB ARG 52 2HB ARG 52 -4.932 -1.460 -1.460 369 2HB ARG 52 1HB ARG 52 -5.508 -1.835 -1.835 370 1HG ARG 52 2HG ARG 52 -7.721 -0.694 -0.694 371 2HG ARG 52 1HG ARG 52 -7.092 -0.989 -0.989 372 1HD ARG 52 2HD ARG 52 -7.134 -3.219 -3.219 373 2HD ARG 52 1HD ARG 52 -8.581 -2.838 -2.838 374 HE ARG 52 HE ARG 52 -6.605 -2.887 -2.887 375 1HH1 ARG 52 1HH2 ARG 52 -8.742 -5.080 -5.080 376 2HH1 ARG 52 2HH2 ARG 52 -7.728 -6.484 -6.484 377 1HH2 ARG 52 2HH1 ARG 52 -4.771 -4.677 -4.677 378 2HH2 ARG 52 1HH1 ARG 52 -5.480 -6.257 -6.257 379 H VAL 53 H VAL 53 -3.492 -0.652 -0.652 380 HA VAL 53 HA VAL 53 -4.702 -0.654 -0.654 381 HB VAL 53 HB VAL 53 -1.840 -0.392 -0.392 382 1HG1 VAL 53 2HG1 VAL 53 -2.833 0.163 0.163 383 2HG1 VAL 53 1HG1 VAL 53 -2.050 -1.415 -1.415 384 3HG1 VAL 53 3HG1 VAL 53 -1.150 -0.011 -0.011 385 1HG2 VAL 53 3HG2 VAL 53 -3.178 -2.504 -2.504 386 2HG2 VAL 53 2HG2 VAL 53 -1.717 -2.746 -2.746 387 3HG2 VAL 53 1HG2 VAL 53 -3.292 -2.714 -2.714 388 H TRP 54 H TRP 54 -2.887 1.878 1.878 389 HA TRP 54 HA TRP 54 -2.835 3.778 3.778 390 1HB TRP 54 2HB TRP 54 -1.292 4.032 4.032 391 2HB TRP 54 1HB TRP 54 -2.580 3.932 3.932 392 HD1 TRP 54 HD1 TRP 54 -4.360 6.017 6.017 393 HE1 TRP 54 HE1 TRP 54 -3.976 8.516 8.516 394 HE3 TRP 54 HE3 TRP 54 0.050 5.726 5.726 395 HZ2 TRP 54 HZ2 TRP 54 -2.043 10.173 10.173 396 HZ3 TRP 54 HZ3 TRP 54 1.141 7.776 7.776 397 HH2 TRP 54 HH2 TRP 54 0.103 9.996 9.996 398 H GLU 55 H GLU 55 -4.885 3.595 3.595 399 HA GLU 55 HA GLU 55 -6.593 5.746 5.746 400 1HB GLU 55 2HB GLU 55 -6.917 3.003 3.003 401 2HB GLU 55 1HB GLU 55 -8.315 4.074 4.074 402 1HG GLU 55 2HG GLU 55 -5.842 5.312 5.312 403 2HG GLU 55 1HG GLU 55 -6.582 4.087 4.087 404 H LEU 56 H LEU 56 -7.026 2.428 2.428 405 HA LEU 56 HA LEU 56 -9.298 3.190 3.190 406 1HB LEU 56 2HB LEU 56 -7.503 0.739 0.739 407 2HB LEU 56 1HB LEU 56 -9.112 0.858 0.858 408 HG LEU 56 HG LEU 56 -8.927 1.578 1.578 409 1HD1 LEU 56 1HD1 LEU 56 -7.626 -0.754 -0.754 410 2HD1 LEU 56 3HD1 LEU 56 -9.188 -1.301 -1.301 411 3HD1 LEU 56 2HD1 LEU 56 -8.110 -0.378 -0.378 412 1HD2 LEU 56 2HD2 LEU 56 -11.022 1.405 1.405 413 2HD2 LEU 56 1HD2 LEU 56 -11.096 0.541 0.541 414 3HD2 LEU 56 3HD2 LEU 56 -10.788 -0.342 -0.342 415 H SER 57 H SER 57 -5.959 3.611 3.611 416 HA SER 57 HA SER 57 -5.917 3.531 3.531 417 1HB SER 57 2HB SER 57 -4.005 2.521 2.521 418 2HB SER 57 1HB SER 57 -3.982 3.507 3.507 419 HG SER 57 HG SER 57 -2.792 4.911 4.911 420 H ASP 58 H ASP 58 -5.827 5.749 5.749 421 HA ASP 58 HA ASP 58 -5.015 8.055 8.055 422 1HB ASP 58 2HB ASP 58 -4.677 7.430 7.430 423 2HB ASP 58 1HB ASP 58 -6.234 8.246 8.246 424 H ILE 59 H ILE 59 -6.711 8.125 8.125 425 HA ILE 59 HA ILE 59 -9.467 7.990 7.990 426 HB ILE 59 HB ILE 59 -7.846 9.719 9.719 427 1HG1 ILE 59 2HG1 ILE 59 -7.348 7.291 7.291 428 2HG1 ILE 59 1HG1 ILE 59 -8.166 7.841 7.841 429 1HG2 ILE 59 1HG2 ILE 59 -10.522 9.951 9.951 430 2HG2 ILE 59 3HG2 ILE 59 -10.507 8.714 8.714 431 3HG2 ILE 59 2HG2 ILE 59 -9.758 10.283 10.283 432 1HD1 ILE 59 3HD1 ILE 59 -10.341 7.085 7.085 433 2HD1 ILE 59 2HD1 ILE 59 -9.407 6.372 6.372 434 3HD1 ILE 59 1HD1 ILE 59 -9.207 5.773 5.773 435 H ASP 60 H ASP 60 -7.256 10.694 10.694 436 HA ASP 60 HA ASP 60 -9.580 12.368 12.368 437 1HB ASP 60 2HB ASP 60 -8.137 14.232 14.232 438 2HB ASP 60 1HB ASP 60 -7.904 13.117 13.117 439 H HIS 61 H HIS 61 -6.949 10.525 10.525 440 HA HIS 61 HA HIS 61 -6.124 10.266 10.266 441 1HB HIS 61 2HB HIS 61 -8.852 11.511 11.511 442 2HB HIS 61 1HB HIS 61 -7.867 11.053 11.053 443 HD1 HIS 61 HD1 HIS 61 -7.390 8.511 8.511 444 HD2 HIS 61 HD2 HIS 61 -9.932 9.329 9.329 445 HE1 HIS 61 HE1 HIS 61 -8.441 6.304 6.304 446 H ASP 62 H ASP 62 -5.128 12.536 12.536 447 HA ASP 62 HA ASP 62 -5.135 14.713 14.713 448 1HB ASP 62 2HB ASP 62 -4.643 16.141 16.141 449 2HB ASP 62 1HB ASP 62 -5.671 14.921 14.921 450 H GLY 63 H GLY 63 -3.527 12.024 12.024 451 1HA GLY 63 2HA GLY 63 -1.425 11.483 11.483 452 2HA GLY 63 1HA GLY 63 -1.004 13.200 13.200 453 H MET 64 H MET 64 -2.286 12.200 12.200 454 HA MET 64 HA MET 64 0.394 11.583 11.583 455 1HB MET 64 2HB MET 64 -1.335 13.933 13.933 456 2HB MET 64 1HB MET 64 -0.791 13.245 13.245 457 1HG MET 64 2HG MET 64 1.528 13.329 13.329 458 2HG MET 64 1HG MET 64 0.994 13.984 13.984 459 1HE MET 64 3HE MET 64 3.100 15.536 15.536 460 2HE MET 64 2HE MET 64 2.875 16.697 16.697 461 3HE MET 64 1HE MET 64 2.930 14.974 14.974 462 H LEU 65 H LEU 65 0.227 10.644 10.644 463 HA LEU 65 HA LEU 65 -2.453 9.403 9.403 464 1HB LEU 65 2HB LEU 65 0.343 8.235 8.235 465 2HB LEU 65 1HB LEU 65 -0.984 7.408 7.408 466 HG LEU 65 HG LEU 65 -1.056 8.289 8.289 467 1HD1 LEU 65 3HD1 LEU 65 0.112 5.938 5.938 468 2HD1 LEU 65 2HD1 LEU 65 -1.053 5.521 5.521 469 3HD1 LEU 65 1HD1 LEU 65 0.344 6.526 6.526 470 1HD2 LEU 65 3HD2 LEU 65 -2.826 6.453 6.453 471 2HD2 LEU 65 2HD2 LEU 65 -3.256 8.073 8.073 472 3HD2 LEU 65 1HD2 LEU 65 -3.019 6.780 6.780 473 H ASP 66 H ASP 66 -3.066 10.101 10.101 474 HA ASP 66 HA ASP 66 -1.082 11.136 11.136 475 1HB ASP 66 2HB ASP 66 -2.959 12.300 12.300 476 2HB ASP 66 1HB ASP 66 -3.955 11.167 11.167 477 H ARG 67 H ARG 67 -1.070 10.261 10.261 478 HA ARG 67 HA ARG 67 -0.086 7.695 7.695 479 1HB ARG 67 2HB ARG 67 -1.056 7.889 7.889 480 2HB ARG 67 1HB ARG 67 0.041 9.156 9.156 481 1HG ARG 67 2HG ARG 67 -1.615 10.732 10.732 482 2HG ARG 67 1HG ARG 67 -2.835 9.562 9.562 483 1HD ARG 67 2HD ARG 67 -3.570 9.926 9.926 484 2HD ARG 67 1HD ARG 67 -2.379 8.655 8.655 485 HE ARG 67 HE ARG 67 -0.972 11.113 11.113 486 1HH1 ARG 67 1HH2 ARG 67 -3.501 12.003 12.003 487 2HH1 ARG 67 2HH2 ARG 67 -3.089 11.728 11.728 488 1HH2 ARG 67 2HH1 ARG 67 -0.395 9.673 9.673 489 2HH2 ARG 67 1HH1 ARG 67 -1.327 10.410 10.410 490 H ASP 68 H ASP 68 -3.497 8.580 8.580 491 HA ASP 68 HA ASP 68 -4.364 5.830 5.830 492 1HB ASP 68 2HB ASP 68 -5.898 8.309 8.309 493 2HB ASP 68 1HB ASP 68 -6.595 6.845 6.845 494 H GLU 69 H GLU 69 -3.989 7.968 7.968 495 HA GLU 69 HA GLU 69 -5.423 6.239 6.239 496 1HB GLU 69 2HB GLU 69 -3.330 8.331 8.331 497 2HB GLU 69 1HB GLU 69 -4.712 7.868 7.868 498 1HG GLU 69 2HG GLU 69 -6.156 8.653 8.653 499 2HG GLU 69 1HG GLU 69 -4.694 9.468 9.468 500 H PHE 70 H PHE 70 -2.044 6.810 6.810 501 HA PHE 70 HA PHE 70 -0.900 5.063 5.063 502 1HB PHE 70 2HB PHE 70 0.213 6.944 6.944 503 2HB PHE 70 1HB PHE 70 0.196 5.902 5.902 504 HD1 PHE 70 HD1 PHE 70 1.474 6.232 6.232 505 HD2 PHE 70 HD2 PHE 70 1.738 4.092 4.092 506 HE1 PHE 70 HE1 PHE 70 3.525 5.093 5.093 507 HE2 PHE 70 HE2 PHE 70 3.786 2.950 2.950 508 HZ PHE 70 HZ PHE 70 4.676 3.454 3.454 509 H ALA 71 H ALA 71 -2.332 4.593 4.593 510 HA ALA 71 HA ALA 71 -1.163 2.016 2.016 511 1HB ALA 71 1HB ALA 71 -2.450 3.753 3.753 512 2HB ALA 71 3HB ALA 71 -3.900 2.956 2.956 513 3HB ALA 71 2HB ALA 71 -2.715 2.039 2.039 514 H VAL 72 H VAL 72 -4.147 3.057 3.057 515 HA VAL 72 HA VAL 72 -5.302 0.477 0.477 516 HB VAL 72 HB VAL 72 -5.462 3.037 3.037 517 1HG1 VAL 72 1HG1 VAL 72 -7.321 0.649 0.649 518 2HG1 VAL 72 3HG1 VAL 72 -7.720 2.161 2.161 519 3HG1 VAL 72 2HG1 VAL 72 -6.407 1.153 1.153 520 1HG2 VAL 72 3HG2 VAL 72 -5.992 2.997 2.997 521 2HG2 VAL 72 2HG2 VAL 72 -7.123 3.786 3.786 522 3HG2 VAL 72 1HG2 VAL 72 -7.462 2.161 2.161 523 H ALA 73 H ALA 73 -2.805 2.260 2.260 524 HA ALA 73 HA ALA 73 -2.823 0.346 0.346 525 1HB ALA 73 1HB ALA 73 -1.855 3.020 3.020 526 2HB ALA 73 3HB ALA 73 -0.613 2.059 2.059 527 3HB ALA 73 2HB ALA 73 -2.184 2.297 2.297 528 H MET 74 H MET 74 -1.472 0.395 0.395 529 HA MET 74 HA MET 74 1.131 -0.779 -0.779 530 1HB MET 74 2HB MET 74 -0.418 -0.184 -0.184 531 2HB MET 74 1HB MET 74 1.093 -1.094 -1.094 532 1HG MET 74 2HG MET 74 1.021 1.476 1.476 533 2HG MET 74 1HG MET 74 1.115 1.543 1.543 534 1HE MET 74 3HE MET 74 2.426 1.021 1.021 535 2HE MET 74 2HE MET 74 4.162 0.748 0.748 536 3HE MET 74 1HE MET 74 3.057 -0.624 -0.624 537 H PHE 75 H PHE 75 -1.901 -1.906 -1.906 538 HA PHE 75 HA PHE 75 -0.996 -4.683 -4.683 539 1HB PHE 75 2HB PHE 75 -3.019 -5.038 -5.038 540 2HB PHE 75 1HB PHE 75 -2.730 -3.337 -3.337 541 HD1 PHE 75 HD1 PHE 75 -4.700 -5.724 -5.724 542 HD2 PHE 75 HD2 PHE 75 -4.061 -1.590 -1.590 543 HE1 PHE 75 HE1 PHE 75 -6.847 -5.137 -5.137 544 HE2 PHE 75 HE2 PHE 75 -6.205 -1.003 -1.003 545 HZ PHE 75 HZ PHE 75 -7.600 -2.776 -2.776 546 H LEU 76 H LEU 76 -2.613 -2.520 -2.520 547 HA LEU 76 HA LEU 76 -3.793 -4.523 -4.523 548 1HB LEU 76 2HB LEU 76 -3.167 -1.581 -1.581 549 2HB LEU 76 1HB LEU 76 -3.686 -2.388 -2.388 550 HG LEU 76 HG LEU 76 -5.183 -2.365 -2.365 551 1HD1 LEU 76 2HD1 LEU 76 -5.128 -0.538 -0.538 552 2HD1 LEU 76 1HD1 LEU 76 -6.692 -1.353 -1.353 553 3HD1 LEU 76 3HD1 LEU 76 -6.141 -0.485 -0.485 554 1HD2 LEU 76 2HD2 LEU 76 -5.315 -4.094 -4.094 555 2HD2 LEU 76 1HD2 LEU 76 -6.124 -4.265 -4.265 556 3HD2 LEU 76 3HD2 LEU 76 -6.850 -3.275 -3.275 557 H VAL 77 H VAL 77 -0.667 -3.040 -3.040 558 HA VAL 77 HA VAL 77 0.358 -4.057 -4.057 559 HB VAL 77 HB VAL 77 1.456 -2.414 -2.414 560 1HG1 VAL 77 3HG1 VAL 77 2.869 -3.434 -3.434 561 2HG1 VAL 77 2HG1 VAL 77 3.491 -2.133 -2.133 562 3HG1 VAL 77 1HG1 VAL 77 3.310 -3.756 -3.756 563 1HG2 VAL 77 1HG2 VAL 77 -0.104 -1.345 -1.345 564 2HG2 VAL 77 3HG2 VAL 77 1.510 -0.634 -0.634 565 3HG2 VAL 77 2HG2 VAL 77 1.025 -1.760 -1.760 566 H TYR 78 H TYR 78 0.588 -4.707 -4.707 567 HA TYR 78 HA TYR 78 2.652 -6.758 -6.758 568 1HB TYR 78 2HB TYR 78 1.113 -5.414 -5.414 569 2HB TYR 78 1HB TYR 78 1.516 -7.095 -7.095 570 HD1 TYR 78 HD2 TYR 78 4.051 -7.646 -7.646 571 HD2 TYR 78 HD1 TYR 78 2.648 -3.926 -3.926 572 HE1 TYR 78 HE2 TYR 78 6.390 -6.979 -6.979 573 HE2 TYR 78 HE1 TYR 78 4.981 -3.262 -3.262 574 HH TYR 78 HH TYR 78 7.114 -4.066 -4.066 575 H CYS 79 H CYS 79 -0.856 -6.628 -6.628 576 HA CYS 79 HA CYS 79 -1.182 -9.527 -9.527 577 1HB CYS 79 2HB CYS 79 -2.986 -7.191 -7.191 578 2HB CYS 79 1HB CYS 79 -3.585 -8.847 -8.847 579 HG CYS 79 HG CYS 79 -2.134 -7.618 -7.618 580 H ALA 80 H ALA 80 -0.413 -7.410 -7.410 581 HA ALA 80 HA ALA 80 -1.592 -9.078 -9.078 582 1HB ALA 80 2HB ALA 80 0.117 -6.597 -6.597 583 2HB ALA 80 1HB ALA 80 -0.183 -7.370 -7.370 584 3HB ALA 80 3HB ALA 80 -1.531 -6.739 -6.739 585 H LEU 81 H LEU 81 1.226 -8.985 -8.985 586 HA LEU 81 HA LEU 81 2.982 -10.315 -10.315 587 1HB LEU 81 2HB LEU 81 3.478 -9.921 -9.921 588 2HB LEU 81 1HB LEU 81 4.654 -9.920 -9.920 589 HG LEU 81 HG LEU 81 2.709 -7.770 -7.770 590 1HD1 LEU 81 2HD1 LEU 81 4.999 -7.749 -7.749 591 2HD1 LEU 81 1HD1 LEU 81 5.653 -7.779 -7.779 592 3HD1 LEU 81 3HD1 LEU 81 4.735 -6.380 -6.380 593 1HD2 LEU 81 1HD2 LEU 81 3.859 -8.339 -8.339 594 2HD2 LEU 81 3HD2 LEU 81 2.244 -7.775 -7.775 595 3HD2 LEU 81 2HD2 LEU 81 3.615 -6.669 -6.669 596 H GLU 82 H GLU 82 1.331 -11.000 -11.000 597 HA GLU 82 HA GLU 82 2.196 -13.737 -13.737 598 1HB GLU 82 2HB GLU 82 1.373 -12.374 -12.374 599 2HB GLU 82 1HB GLU 82 -0.199 -12.217 -12.217 600 1HG GLU 82 2HG GLU 82 -0.844 -14.109 -14.109 601 2HG GLU 82 1HG GLU 82 0.363 -14.983 -14.983 602 H LYS 83 H LYS 83 -0.932 -12.309 -12.309 603 HA LYS 83 HA LYS 83 -1.328 -14.024 -14.024 604 1HB LYS 83 2HB LYS 83 -1.350 -15.474 -15.474 605 2HB LYS 83 1HB LYS 83 -3.049 -15.012 -15.012 606 1HG LYS 83 2HG LYS 83 -3.299 -15.940 -15.940 607 2HG LYS 83 1HG LYS 83 -1.566 -16.253 -16.253 608 1HD LYS 83 2HD LYS 83 -1.653 -18.000 -18.000 609 2HD LYS 83 1HD LYS 83 -3.193 -17.452 -17.452 610 1HE LYS 83 2HE LYS 83 -4.397 -18.201 -18.201 611 2HE LYS 83 1HE LYS 83 -2.889 -18.498 -18.498 612 1HZ LYS 83 2HZ LYS 83 -2.251 -20.091 -20.091 613 2HZ LYS 83 1HZ LYS 83 -3.745 -19.857 -19.857 614 3HZ LYS 83 3HZ LYS 83 -3.692 -20.555 -20.555 615 H GLU 84 H GLU 84 -2.726 -12.032 -12.032 616 HA GLU 84 HA GLU 84 -5.379 -11.834 -11.834 617 1HB GLU 84 2HB GLU 84 -3.795 -10.796 -10.796 618 2HB GLU 84 1HB GLU 84 -4.841 -9.551 -9.551 619 1HG GLU 84 2HG GLU 84 -6.438 -10.478 -10.478 620 2HG GLU 84 1HG GLU 84 -6.541 -11.693 -11.693 621 HA PRO 85 HA PRO 85 -4.017 -9.029 -9.029 622 1HB PRO 85 2HB PRO 85 -6.346 -9.175 -9.175 623 2HB PRO 85 1HB PRO 85 -5.086 -10.423 -10.423 624 1HG PRO 85 2HG PRO 85 -7.662 -10.432 -10.432 625 2HG PRO 85 1HG PRO 85 -6.820 -11.759 -11.759 626 1HD PRO 85 2HD PRO 85 -6.819 -11.343 -11.343 627 2HD PRO 85 1HD PRO 85 -5.569 -12.250 -12.250 628 H VAL 86 H VAL 86 -5.544 -7.106 -7.106 629 HA VAL 86 HA VAL 86 -7.062 -5.852 -5.852 630 HB VAL 86 HB VAL 86 -5.060 -4.533 -4.533 631 1HG1 VAL 86 3HG1 VAL 86 -6.998 -3.566 -3.566 632 2HG1 VAL 86 2HG1 VAL 86 -5.386 -2.855 -2.855 633 3HG1 VAL 86 1HG1 VAL 86 -6.333 -2.735 -2.735 634 1HG2 VAL 86 2HG2 VAL 86 -4.750 -6.030 -6.030 635 2HG2 VAL 86 1HG2 VAL 86 -3.507 -5.360 -5.360 636 3HG2 VAL 86 3HG2 VAL 86 -4.225 -4.359 -4.359 637 HA PRO 87 HA PRO 87 -9.876 -5.241 -5.241 638 1HB PRO 87 2HB PRO 87 -11.973 -4.384 -4.384 639 2HB PRO 87 1HB PRO 87 -11.503 -6.090 -6.090 640 1HG PRO 87 2HG PRO 87 -11.121 -4.174 -4.174 641 2HG PRO 87 1HG PRO 87 -11.237 -5.937 -5.937 642 1HD PRO 87 2HD PRO 87 -8.884 -4.376 -4.376 643 2HD PRO 87 1HD PRO 87 -8.990 -6.142 -6.142 644 H MET 88 H MET 88 -11.639 -3.190 -3.190 645 HA MET 88 HA MET 88 -9.944 -0.732 -0.732 646 1HB MET 88 2HB MET 88 -11.686 -1.848 -1.848 647 2HB MET 88 1HB MET 88 -11.738 -0.099 -0.099 648 1HG MET 88 2HG MET 88 -9.160 -0.221 -0.221 649 2HG MET 88 1HG MET 88 -9.375 -1.821 -1.821 650 1HE MET 88 3HE MET 88 -7.714 -0.209 -0.209 651 2HE MET 88 2HE MET 88 -8.285 0.723 0.723 652 3HE MET 88 1HE MET 88 -8.297 1.446 1.446 653 H SER 89 H SER 89 -12.335 -2.111 -2.111 654 HA SER 89 HA SER 89 -14.035 0.347 0.347 655 1HB SER 89 2HB SER 89 -14.693 -2.410 -2.410 656 2HB SER 89 1HB SER 89 -15.811 -1.098 -1.098 657 HG SER 89 HG SER 89 -15.296 -2.948 -2.948 658 H LEU 90 H LEU 90 -13.147 1.574 1.574 659 HA LEU 90 HA LEU 90 -11.898 0.709 0.709 660 1HB LEU 90 2HB LEU 90 -12.724 3.108 3.108 661 2HB LEU 90 1HB LEU 90 -13.411 3.142 3.142 662 HG LEU 90 HG LEU 90 -10.545 2.359 2.359 663 1HD1 LEU 90 1HD1 LEU 90 -11.044 4.638 4.638 664 2HD1 LEU 90 3HD1 LEU 90 -11.520 5.159 5.159 665 3HD1 LEU 90 2HD1 LEU 90 -9.861 4.649 4.649 666 1HD2 LEU 90 2HD2 LEU 90 -11.762 1.927 1.927 667 2HD2 LEU 90 1HD2 LEU 90 -10.304 2.910 2.910 668 3HD2 LEU 90 3HD2 LEU 90 -11.891 3.676 3.676 669 HA PRO 91 HA PRO 91 -15.732 -0.816 -0.816 670 1HB PRO 91 2HB PRO 91 -14.529 -2.489 -2.489 671 2HB PRO 91 1HB PRO 91 -14.774 -2.916 -2.916 672 1HG PRO 91 2HG PRO 91 -12.312 -2.085 -2.085 673 2HG PRO 91 1HG PRO 91 -12.515 -3.144 -3.144 674 1HD PRO 91 2HD PRO 91 -11.689 -0.473 -0.473 675 2HD PRO 91 1HD PRO 91 -12.236 -1.431 -1.431 676 HA PRO 92 HA PRO 92 -15.828 1.777 1.777 677 1HB PRO 92 2HB PRO 92 -17.803 0.572 0.572 678 2HB PRO 92 1HB PRO 92 -18.122 1.510 1.510 679 1HG PRO 92 2HG PRO 92 -18.002 -1.434 -1.434 680 2HG PRO 92 1HG PRO 92 -19.064 -0.470 -0.470 681 1HD PRO 92 2HD PRO 92 -16.873 -1.847 -1.847 682 2HD PRO 92 1HD PRO 92 -17.556 -0.417 -0.417 683 H ALA 93 H ALA 93 -14.935 -1.514 -1.514 684 HA ALA 93 HA ALA 93 -14.456 -1.524 -1.524 685 1HB ALA 93 1HB ALA 93 -14.376 -3.362 -3.362 686 2HB ALA 93 3HB ALA 93 -13.103 -3.657 -3.657 687 3HB ALA 93 2HB ALA 93 -14.797 -3.693 -3.693 688 H LEU 94 H LEU 94 -12.947 -0.064 -0.064 689 HA LEU 94 HA LEU 94 -10.238 -0.364 -0.364 690 1HB LEU 94 2HB LEU 94 -11.286 -0.071 -0.071 691 2HB LEU 94 1HB LEU 94 -9.669 0.522 0.522 692 HG LEU 94 HG LEU 94 -9.497 -1.752 -1.752 693 1HD1 LEU 94 1HD1 LEU 94 -9.100 -1.619 -1.619 694 2HD1 LEU 94 3HD1 LEU 94 -8.422 -2.852 -2.852 695 3HD1 LEU 94 2HD1 LEU 94 -7.930 -1.168 -1.168 696 1HD2 LEU 94 1HD2 LEU 94 -11.122 -3.248 -3.248 697 2HD2 LEU 94 3HD2 LEU 94 -10.740 -3.248 -3.248 698 3HD2 LEU 94 2HD2 LEU 94 -11.925 -2.113 -2.113 699 H VAL 95 H VAL 95 -12.824 1.784 1.784 700 HA VAL 95 HA VAL 95 -11.059 4.189 4.189 701 HB VAL 95 HB VAL 95 -12.947 3.808 3.808 702 1HG1 VAL 95 3HG1 VAL 95 -14.426 3.003 3.003 703 2HG1 VAL 95 2HG1 VAL 95 -14.814 4.721 4.721 704 3HG1 VAL 95 1HG1 VAL 95 -15.160 3.817 3.817 705 1HG2 VAL 95 3HG2 VAL 95 -11.914 6.070 6.070 706 2HG2 VAL 95 2HG2 VAL 95 -13.380 6.100 6.100 707 3HG2 VAL 95 1HG2 VAL 95 -13.486 6.271 6.271 708 HA PRO 96 HA PRO 96 -12.061 4.407 4.407 709 1HB PRO 96 2HB PRO 96 -10.697 6.731 6.731 710 2HB PRO 96 1HB PRO 96 -9.895 5.153 5.153 711 1HG PRO 96 2HG PRO 96 -10.143 7.341 7.341 712 2HG PRO 96 1HG PRO 96 -8.769 6.281 6.281 713 1HD PRO 96 2HD PRO 96 -10.433 5.924 5.924 714 2HD PRO 96 1HD PRO 96 -9.566 4.590 4.590 715 HA PRO 97 HA PRO 97 -15.474 7.171 7.171 716 1HB PRO 97 2HB PRO 97 -15.907 7.574 7.574 717 2HB PRO 97 1HB PRO 97 -16.316 6.058 6.058 718 1HG PRO 97 2HG PRO 97 -13.965 6.708 6.708 719 2HG PRO 97 1HG PRO 97 -14.907 5.213 5.213 720 1HD PRO 97 2HD PRO 97 -12.474 5.546 5.546 721 2HD PRO 97 1HD PRO 97 -13.721 4.433 4.433 722 H SER 98 H SER 98 -12.519 8.096 8.096 723 HA SER 98 HA SER 98 -13.313 10.828 10.828 724 1HB SER 98 2HB SER 98 -11.163 9.073 9.073 725 2HB SER 98 1HB SER 98 -10.469 10.417 10.417 726 HG SER 98 HG SER 98 -11.815 11.724 11.724 727 H LYS 99 H LYS 99 -12.544 9.184 9.184 728 HA LYS 99 HA LYS 99 -11.646 11.686 11.686 729 1HB LYS 99 2HB LYS 99 -11.645 8.737 8.737 730 2HB LYS 99 1HB LYS 99 -11.163 9.996 9.996 731 1HG LYS 99 2HG LYS 99 -9.598 10.794 10.794 732 2HG LYS 99 1HG LYS 99 -9.832 9.164 9.164 733 1HD LYS 99 2HD LYS 99 -8.556 8.224 8.224 734 2HD LYS 99 1HD LYS 99 -9.212 9.280 9.280 735 1HE LYS 99 2HE LYS 99 -7.332 10.381 10.381 736 2HE LYS 99 1HE LYS 99 -6.710 9.596 9.596 737 1HZ LYS 99 1HZ LYS 99 -8.902 11.491 11.491 738 2HZ LYS 99 3HZ LYS 99 -7.386 12.150 12.150 739 3HZ LYS 99 2HZ LYS 99 -7.568 11.187 11.187 740 H ARG 100 H ARG 100 -14.511 10.398 10.398 741 HA ARG 100 HA ARG 100 -15.896 10.256 10.256 742 1HB ARG 100 2HB ARG 100 -16.727 10.531 10.531 743 2HB ARG 100 1HB ARG 100 -17.899 10.385 10.385 744 1HG ARG 100 2HG ARG 100 -15.772 8.386 8.386 745 2HG ARG 100 1HG ARG 100 -16.685 8.268 8.268 746 1HD ARG 100 2HD ARG 100 -18.438 7.349 7.349 747 2HD ARG 100 1HD ARG 100 -18.494 8.722 8.722 748 HE ARG 100 HE ARG 100 -16.331 6.754 6.754 749 1HH1 ARG 100 1HH2 ARG 100 -19.245 5.755 5.755 750 2HH1 ARG 100 2HH2 ARG 100 -19.390 6.008 6.008 751 1HH2 ARG 100 2HH1 ARG 100 -16.594 8.050 8.050 752 2HH2 ARG 100 1HH1 ARG 100 -17.888 7.306 7.306 Start of MODEL 13 1 HA PRO 6 HA PRO 6 -13.620 -1.969 -1.969 2 1HB PRO 6 2HB PRO 6 -11.363 -3.500 -3.500 3 2HB PRO 6 1HB PRO 6 -12.542 -3.654 -3.654 4 1HG PRO 6 2HG PRO 6 -12.146 -5.365 -5.365 5 2HG PRO 6 1HG PRO 6 -12.608 -5.815 -5.815 6 1HD PRO 6 2HD PRO 6 -14.364 -5.615 -5.615 7 2HD PRO 6 1HD PRO 6 -14.824 -5.471 -5.471 8 H TRP 7 H TRP 7 -11.075 -1.659 -1.659 9 HA TRP 7 HA TRP 7 -11.495 -0.706 -0.706 10 1HB TRP 7 2HB TRP 7 -10.336 0.603 0.603 11 2HB TRP 7 1HB TRP 7 -9.124 -0.667 -0.667 12 HD1 TRP 7 HD1 TRP 7 -10.270 -0.051 -0.051 13 HE1 TRP 7 HE1 TRP 7 -8.440 1.202 1.202 14 HE3 TRP 7 HE3 TRP 7 -7.151 1.240 1.240 15 HZ2 TRP 7 HZ2 TRP 7 -5.980 2.574 2.574 16 HZ3 TRP 7 HZ3 TRP 7 -5.075 2.518 2.518 17 HH2 TRP 7 HH2 TRP 7 -4.485 3.186 3.186 18 H ALA 8 H ALA 8 -10.856 -1.848 -1.848 19 HA ALA 8 HA ALA 8 -10.096 -4.489 -4.489 20 1HB ALA 8 1HB ALA 8 -9.631 -2.046 -2.046 21 2HB ALA 8 3HB ALA 8 -8.712 -3.485 -3.485 22 3HB ALA 8 2HB ALA 8 -10.475 -3.536 -3.536 23 H VAL 9 H VAL 9 -8.010 -1.746 -1.746 24 HA VAL 9 HA VAL 9 -5.582 -3.436 -3.436 25 HB VAL 9 HB VAL 9 -6.180 -0.516 -0.516 26 1HG1 VAL 9 3HG1 VAL 9 -3.827 -2.147 -2.147 27 2HG1 VAL 9 2HG1 VAL 9 -3.445 -0.782 -0.782 28 3HG1 VAL 9 1HG1 VAL 9 -4.217 -0.504 -0.504 29 1HG2 VAL 9 3HG2 VAL 9 -6.302 -1.433 -1.433 30 2HG2 VAL 9 2HG2 VAL 9 -5.149 -0.121 -0.121 31 3HG2 VAL 9 1HG2 VAL 9 -4.579 -1.788 -1.788 32 H LYS 10 H LYS 10 -4.347 -3.778 -3.778 33 HA LYS 10 HA LYS 10 -6.032 -3.827 -3.827 34 1HB LYS 10 2HB LYS 10 -3.313 -5.065 -5.065 35 2HB LYS 10 1HB LYS 10 -4.506 -5.556 -5.556 36 1HG LYS 10 2HG LYS 10 -5.698 -5.586 -5.586 37 2HG LYS 10 1HG LYS 10 -4.223 -6.551 -6.551 38 1HD LYS 10 2HD LYS 10 -5.021 -7.809 -7.809 39 2HD LYS 10 1HD LYS 10 -6.476 -6.812 -6.812 40 1HE LYS 10 2HE LYS 10 -6.987 -7.577 -7.577 41 2HE LYS 10 1HE LYS 10 -5.678 -8.761 -8.761 42 1HZ LYS 10 3HZ LYS 10 -7.767 -8.466 -8.466 43 2HZ LYS 10 2HZ LYS 10 -8.032 -9.451 -9.451 44 3HZ LYS 10 1HZ LYS 10 -6.748 -9.789 -9.789 45 HA PRO 11 HA PRO 11 -3.734 -0.704 -0.704 46 1HB PRO 11 2HB PRO 11 -3.193 -1.822 -1.822 47 2HB PRO 11 1HB PRO 11 -4.804 -1.234 -1.234 48 1HG PRO 11 2HG PRO 11 -3.729 -4.018 -4.018 49 2HG PRO 11 1HG PRO 11 -5.315 -3.427 -3.427 50 1HD PRO 11 2HD PRO 11 -4.962 -4.611 -4.611 51 2HD PRO 11 1HD PRO 11 -6.130 -3.292 -3.292 52 H GLU 12 H GLU 12 -2.351 -3.951 -3.951 53 HA GLU 12 HA GLU 12 0.374 -3.065 -3.065 54 1HB GLU 12 2HB GLU 12 0.867 -5.437 -5.437 55 2HB GLU 12 1HB GLU 12 -0.566 -5.304 -5.304 56 1HG GLU 12 2HG GLU 12 -1.713 -5.207 -5.207 57 2HG GLU 12 1HG GLU 12 -0.321 -6.235 -6.235 58 H ASP 13 H ASP 13 -1.632 -3.458 -3.458 59 HA ASP 13 HA ASP 13 0.600 -3.464 -3.464 60 1HB ASP 13 2HB ASP 13 -2.392 -3.550 -3.550 61 2HB ASP 13 1HB ASP 13 -1.589 -3.004 -3.004 62 H LYS 14 H LYS 14 -1.819 -1.219 -1.219 63 HA LYS 14 HA LYS 14 -1.168 1.027 1.027 64 1HB LYS 14 2HB LYS 14 -3.229 0.972 0.972 65 2HB LYS 14 1HB LYS 14 -2.403 0.638 0.638 66 1HG LYS 14 2HG LYS 14 -2.948 2.936 2.936 67 2HG LYS 14 1HG LYS 14 -1.249 2.924 2.924 68 1HD LYS 14 2HD LYS 14 -2.353 2.873 2.873 69 2HD LYS 14 1HD LYS 14 -3.651 3.695 3.695 70 1HE LYS 14 2HE LYS 14 -0.744 4.564 4.564 71 2HE LYS 14 1HE LYS 14 -1.939 5.282 5.282 72 1HZ LYS 14 3HZ LYS 14 -2.639 4.953 4.953 73 2HZ LYS 14 2HZ LYS 14 -1.611 6.236 6.236 74 3HZ LYS 14 1HZ LYS 14 -3.165 6.124 6.124 75 H ALA 15 H ALA 15 0.379 -0.470 -0.470 76 HA ALA 15 HA ALA 15 1.936 1.844 1.844 77 1HB ALA 15 3HB ALA 15 1.303 -0.747 -0.747 78 2HB ALA 15 2HB ALA 15 3.039 -0.792 -0.792 79 3HB ALA 15 1HB ALA 15 2.372 0.400 0.400 80 H LYS 16 H LYS 16 2.510 -1.039 -1.039 81 HA LYS 16 HA LYS 16 5.222 -0.171 -0.171 82 1HB LYS 16 2HB LYS 16 5.370 -2.311 -2.311 83 2HB LYS 16 1HB LYS 16 3.874 -2.551 -2.551 84 1HG LYS 16 2HG LYS 16 2.546 -2.182 -2.182 85 2HG LYS 16 1HG LYS 16 3.960 -1.660 -1.660 86 1HD LYS 16 2HD LYS 16 3.843 -3.861 -3.861 87 2HD LYS 16 1HD LYS 16 4.871 -4.056 -4.056 88 1HE LYS 16 2HE LYS 16 3.062 -4.841 -4.841 89 2HE LYS 16 1HE LYS 16 1.853 -4.275 -4.275 90 1HZ LYS 16 1HZ LYS 16 2.824 -5.794 -5.794 91 2HZ LYS 16 3HZ LYS 16 3.894 -6.385 -6.385 92 3HZ LYS 16 2HZ LYS 16 2.222 -6.633 -6.633 93 H TYR 17 H TYR 17 1.974 0.258 0.258 94 HA TYR 17 HA TYR 17 2.654 1.151 1.151 95 1HB TYR 17 2HB TYR 17 0.236 1.474 1.474 96 2HB TYR 17 1HB TYR 17 0.263 2.002 2.002 97 HD1 TYR 17 HD1 TYR 17 2.301 -0.885 -0.885 98 HD2 TYR 17 HD2 TYR 17 -1.785 0.365 0.365 99 HE1 TYR 17 HE1 TYR 17 1.676 -3.172 -3.172 100 HE2 TYR 17 HE2 TYR 17 -2.414 -1.925 -1.925 101 HH TYR 17 HH TYR 17 -0.241 -4.198 -4.198 102 H ASP 18 H ASP 18 2.166 2.576 2.576 103 HA ASP 18 HA ASP 18 2.336 5.355 5.355 104 1HB ASP 18 2HB ASP 18 1.079 4.422 4.422 105 2HB ASP 18 1HB ASP 18 2.645 4.166 4.166 106 H ALA 19 H ALA 19 4.587 2.875 2.875 107 HA ALA 19 HA ALA 19 6.786 4.718 4.718 108 1HB ALA 19 2HB ALA 19 6.183 2.196 2.196 109 2HB ALA 19 1HB ALA 19 7.180 1.830 1.830 110 3HB ALA 19 3HB ALA 19 7.849 2.770 2.770 111 H ILE 20 H ILE 20 5.612 2.662 2.662 112 HA ILE 20 HA ILE 20 7.811 3.186 3.186 113 HB ILE 20 HB ILE 20 5.008 2.037 2.037 114 1HG1 ILE 20 2HG1 ILE 20 7.562 0.582 0.582 115 2HG1 ILE 20 1HG1 ILE 20 7.113 0.858 0.858 116 1HG2 ILE 20 1HG2 ILE 20 5.731 3.191 3.191 117 2HG2 ILE 20 3HG2 ILE 20 7.034 2.010 2.010 118 3HG2 ILE 20 2HG2 ILE 20 5.353 1.477 1.477 119 1HD1 ILE 20 3HD1 ILE 20 4.882 -0.172 -0.172 120 2HD1 ILE 20 2HD1 ILE 20 5.433 -0.540 -0.540 121 3HD1 ILE 20 1HD1 ILE 20 6.218 -1.296 -1.296 122 H PHE 21 H PHE 21 4.766 4.597 4.597 123 HA PHE 21 HA PHE 21 4.458 6.349 6.349 124 1HB PHE 21 2HB PHE 21 2.435 6.005 6.005 125 2HB PHE 21 1HB PHE 21 3.191 5.778 5.778 126 HD1 PHE 21 HD2 PHE 21 4.125 7.854 7.854 127 HD2 PHE 21 HD1 PHE 21 1.418 8.069 8.069 128 HE1 PHE 21 HE2 PHE 21 3.537 10.179 10.179 129 HE2 PHE 21 HE1 PHE 21 0.830 10.396 10.396 130 HZ PHE 21 HZ PHE 21 1.890 11.450 11.450 131 H ASP 22 H ASP 22 5.844 6.554 6.554 132 HA ASP 22 HA ASP 22 6.606 9.389 9.389 133 1HB ASP 22 2HB ASP 22 5.827 8.795 8.795 134 2HB ASP 22 1HB ASP 22 6.772 7.305 7.305 135 H SER 23 H SER 23 7.821 6.518 6.518 136 HA SER 23 HA SER 23 10.684 7.128 7.128 137 1HB SER 23 2HB SER 23 9.023 4.850 4.850 138 2HB SER 23 1HB SER 23 10.689 4.938 4.938 139 HG SER 23 HG SER 23 11.033 5.366 5.366 140 H LEU 24 H LEU 24 8.318 8.075 8.075 141 HA LEU 24 HA LEU 24 10.181 8.400 8.400 142 1HB LEU 24 2HB LEU 24 7.288 8.899 8.899 143 2HB LEU 24 1HB LEU 24 8.375 7.953 7.953 144 HG LEU 24 HG LEU 24 7.245 7.030 7.030 145 1HD1 LEU 24 2HD1 LEU 24 5.911 7.280 7.280 146 2HD1 LEU 24 1HD1 LEU 24 6.418 5.591 5.591 147 3HD1 LEU 24 3HD1 LEU 24 5.429 6.242 6.242 148 1HD2 LEU 24 1HD2 LEU 24 9.289 6.023 6.023 149 2HD2 LEU 24 3HD2 LEU 24 8.951 5.545 5.545 150 3HD2 LEU 24 2HD2 LEU 24 8.028 4.838 4.838 151 H SER 25 H SER 25 8.884 9.981 9.981 152 HA SER 25 HA SER 25 9.050 12.288 12.288 153 1HB SER 25 2HB SER 25 9.338 12.986 12.986 154 2HB SER 25 1HB SER 25 10.056 13.768 13.768 155 HG SER 25 HG SER 25 11.082 11.509 11.509 156 HA PRO 26 HA PRO 26 4.675 12.384 12.384 157 1HB PRO 26 2HB PRO 26 3.741 12.948 12.948 158 2HB PRO 26 1HB PRO 26 4.110 11.299 11.299 159 1HG PRO 26 2HG PRO 26 5.689 13.120 13.120 160 2HG PRO 26 1HG PRO 26 5.495 11.363 11.363 161 1HD PRO 26 2HD PRO 26 7.703 12.629 12.629 162 2HD PRO 26 1HD PRO 26 7.201 10.979 10.979 163 H VAL 27 H VAL 27 3.381 14.201 14.201 164 HA VAL 27 HA VAL 27 4.523 16.835 16.835 165 HB VAL 27 HB VAL 27 3.086 15.996 15.996 166 1HG1 VAL 27 3HG1 VAL 27 2.540 18.316 18.316 167 2HG1 VAL 27 2HG1 VAL 27 4.265 18.685 18.685 168 3HG1 VAL 27 1HG1 VAL 27 3.487 18.286 18.286 169 1HG2 VAL 27 2HG2 VAL 27 5.623 15.440 15.440 170 2HG2 VAL 27 1HG2 VAL 27 5.159 16.045 16.045 171 3HG2 VAL 27 3HG2 VAL 27 5.857 17.141 17.141 172 H ASN 28 H ASN 28 3.150 17.529 17.529 173 HA ASN 28 HA ASN 28 1.129 18.118 18.118 174 1HB ASN 28 2HB ASN 28 0.920 19.483 19.483 175 2HB ASN 28 1HB ASN 28 0.301 18.101 18.101 176 1HD2 ASN 28 1HD2 ASN 28 -1.925 17.493 17.493 177 2HD2 ASN 28 2HD2 ASN 28 -2.996 18.414 18.414 178 H GLY 29 H GLY 29 1.791 15.211 15.211 179 1HA GLY 29 2HA GLY 29 0.653 13.247 13.247 180 2HA GLY 29 1HA GLY 29 -0.877 14.122 14.122 181 H PHE 30 H PHE 30 1.552 13.987 13.987 182 HA PHE 30 HA PHE 30 -0.090 12.075 12.075 183 1HB PHE 30 2HB PHE 30 0.395 14.979 14.979 184 2HB PHE 30 1HB PHE 30 -0.196 13.786 13.786 185 HD1 PHE 30 HD2 PHE 30 -2.337 12.608 12.608 186 HD2 PHE 30 HD1 PHE 30 -1.025 15.860 15.860 187 HE1 PHE 30 HE2 PHE 30 -4.642 12.859 12.859 188 HE2 PHE 30 HE1 PHE 30 -3.315 16.113 16.113 189 HZ PHE 30 HZ PHE 30 -5.133 14.614 14.614 190 H LEU 31 H LEU 31 1.032 11.206 11.206 191 HA LEU 31 HA LEU 31 3.944 11.939 11.939 192 1HB LEU 31 2HB LEU 31 2.510 9.284 9.284 193 2HB LEU 31 1HB LEU 31 4.107 9.460 9.460 194 HG LEU 31 HG LEU 31 3.507 10.343 10.343 195 1HD1 LEU 31 2HD1 LEU 31 3.587 7.688 7.688 196 2HD1 LEU 31 1HD1 LEU 31 5.136 7.969 7.969 197 3HD1 LEU 31 3HD1 LEU 31 3.631 8.211 8.211 198 1HD2 LEU 31 1HD2 LEU 31 5.907 10.126 10.126 199 2HD2 LEU 31 3HD2 LEU 31 5.496 11.369 11.369 200 3HD2 LEU 31 2HD2 LEU 31 6.123 9.808 9.808 201 H SER 32 H SER 32 4.498 12.603 12.603 202 HA SER 32 HA SER 32 2.506 12.591 12.591 203 1HB SER 32 2HB SER 32 5.208 13.319 13.319 204 2HB SER 32 1HB SER 32 3.767 14.328 14.328 205 HG SER 32 HG SER 32 5.659 14.740 14.740 206 H GLY 33 H GLY 33 2.439 11.269 11.269 207 1HA GLY 33 2HA GLY 33 3.372 8.692 8.692 208 2HA GLY 33 1HA GLY 33 3.177 9.641 9.641 209 H ASP 34 H ASP 34 5.245 11.584 11.584 210 HA ASP 34 HA ASP 34 7.524 10.521 10.521 211 1HB ASP 34 2HB ASP 34 7.064 12.909 12.909 212 2HB ASP 34 1HB ASP 34 7.328 12.607 12.607 213 H LYS 35 H LYS 35 6.381 10.022 10.022 214 HA LYS 35 HA LYS 35 8.952 8.681 8.681 215 1HB LYS 35 2HB LYS 35 6.711 9.568 9.568 216 2HB LYS 35 1HB LYS 35 8.402 9.273 9.273 217 1HG LYS 35 2HG LYS 35 9.097 11.189 11.189 218 2HG LYS 35 1HG LYS 35 7.428 11.464 11.464 219 1HD LYS 35 2HD LYS 35 7.094 11.466 11.466 220 2HD LYS 35 1HD LYS 35 8.753 12.061 12.061 221 1HE LYS 35 2HE LYS 35 6.760 13.271 13.271 222 2HE LYS 35 1HE LYS 35 6.699 13.755 13.755 223 1HZ LYS 35 1HZ LYS 35 9.222 13.943 13.943 224 2HZ LYS 35 3HZ LYS 35 8.965 13.951 13.951 225 3HZ LYS 35 2HZ LYS 35 8.286 15.171 15.171 226 H VAL 36 H VAL 36 5.428 8.419 8.419 227 HA VAL 36 HA VAL 36 5.417 5.677 5.677 228 HB VAL 36 HB VAL 36 3.342 7.435 7.435 229 1HG1 VAL 36 3HG1 VAL 36 3.040 4.842 4.842 230 2HG1 VAL 36 2HG1 VAL 36 2.754 5.064 5.064 231 3HG1 VAL 36 1HG1 VAL 36 1.707 5.859 5.859 232 1HG2 VAL 36 1HG2 VAL 36 3.938 6.820 6.820 233 2HG2 VAL 36 3HG2 VAL 36 4.190 8.365 8.365 234 3HG2 VAL 36 2HG2 VAL 36 2.553 7.754 7.754 235 H LYS 37 H LYS 37 5.117 7.276 7.276 236 HA LYS 37 HA LYS 37 4.261 5.165 5.165 237 1HB LYS 37 2HB LYS 37 4.655 7.470 7.470 238 2HB LYS 37 1HB LYS 37 6.391 7.256 7.256 239 1HG LYS 37 2HG LYS 37 6.455 5.557 5.557 240 2HG LYS 37 1HG LYS 37 4.695 5.571 5.571 241 1HD LYS 37 2HD LYS 37 4.867 7.190 7.190 242 2HD LYS 37 1HD LYS 37 5.530 8.254 8.254 243 1HE LYS 37 2HE LYS 37 7.739 6.770 6.770 244 2HE LYS 37 1HE LYS 37 6.934 6.791 6.791 245 1HZ LYS 37 1HZ LYS 37 6.638 9.194 9.194 246 2HZ LYS 37 3HZ LYS 37 7.487 9.158 9.158 247 3HZ LYS 37 2HZ LYS 37 8.283 8.770 8.770 248 HA PRO 38 HA PRO 38 8.792 3.592 3.592 249 1HB PRO 38 2HB PRO 38 10.497 4.345 4.345 250 2HB PRO 38 1HB PRO 38 10.364 5.233 5.233 251 1HG PRO 38 2HG PRO 38 9.117 5.823 5.823 252 2HG PRO 38 1HG PRO 38 9.873 6.932 6.932 253 1HD PRO 38 2HD PRO 38 7.212 6.697 6.697 254 2HD PRO 38 1HD PRO 38 8.014 6.999 6.999 255 H VAL 39 H VAL 39 7.319 4.241 4.241 256 HA VAL 39 HA VAL 39 8.191 1.833 1.833 257 HB VAL 39 HB VAL 39 6.195 4.052 4.052 258 1HG1 VAL 39 2HG1 VAL 39 6.102 1.380 1.380 259 2HG1 VAL 39 1HG1 VAL 39 5.956 2.764 2.764 260 3HG1 VAL 39 3HG1 VAL 39 4.815 2.562 2.562 261 1HG2 VAL 39 1HG2 VAL 39 8.627 4.284 4.284 262 2HG2 VAL 39 3HG2 VAL 39 7.538 4.544 4.544 263 3HG2 VAL 39 2HG2 VAL 39 8.406 3.015 3.015 264 H LEU 40 H LEU 40 5.831 2.455 2.455 265 HA LEU 40 HA LEU 40 4.223 0.067 0.067 266 1HB LEU 40 2HB LEU 40 3.915 2.221 2.221 267 2HB LEU 40 1HB LEU 40 2.759 0.920 0.920 268 HG LEU 40 HG LEU 40 3.562 3.004 3.004 269 1HD1 LEU 40 3HD1 LEU 40 1.387 2.749 2.749 270 2HD1 LEU 40 2HD1 LEU 40 0.863 3.193 3.193 271 3HD1 LEU 40 1HD1 LEU 40 2.040 4.195 4.195 272 1HD2 LEU 40 3HD2 LEU 40 2.150 0.418 0.418 273 2HD2 LEU 40 2HD2 LEU 40 2.938 1.365 1.365 274 3HD2 LEU 40 1HD2 LEU 40 1.300 1.772 1.772 275 H LEU 41 H LEU 41 6.810 1.048 1.048 276 HA LEU 41 HA LEU 41 6.409 -0.999 -0.999 277 1HB LEU 41 2HB LEU 41 8.675 0.912 0.912 278 2HB LEU 41 1HB LEU 41 8.494 0.002 0.002 279 HG LEU 41 HG LEU 41 6.297 1.807 1.807 280 1HD1 LEU 41 1HD1 LEU 41 8.863 2.708 2.708 281 2HD1 LEU 41 3HD1 LEU 41 8.020 2.924 2.924 282 3HD1 LEU 41 2HD1 LEU 41 7.393 3.681 3.681 283 1HD2 LEU 41 2HD2 LEU 41 6.403 -0.015 -0.015 284 2HD2 LEU 41 1HD2 LEU 41 5.394 1.430 1.430 285 3HD2 LEU 41 3HD2 LEU 41 6.969 1.420 1.420 286 H ASN 42 H ASN 42 8.612 -0.347 -0.347 287 HA ASN 42 HA ASN 42 10.385 -2.502 -2.502 288 1HB ASN 42 2HB ASN 42 10.888 -2.135 -2.135 289 2HB ASN 42 1HB ASN 42 10.295 -0.579 -0.579 290 1HD2 ASN 42 1HD2 ASN 42 7.543 -0.865 -0.865 291 2HD2 ASN 42 2HD2 ASN 42 6.997 -1.225 -1.225 292 H SER 43 H SER 43 7.019 -2.522 -2.522 293 HA SER 43 HA SER 43 6.799 -5.021 -5.021 294 1HB SER 43 2HB SER 43 4.697 -4.072 -4.072 295 2HB SER 43 1HB SER 43 4.539 -4.589 -4.589 296 HG SER 43 HG SER 43 4.342 -2.250 -2.250 297 H LYS 44 H LYS 44 7.724 -4.374 -4.374 298 HA LYS 44 HA LYS 44 8.223 -5.862 -5.862 299 1HB LYS 44 2HB LYS 44 8.914 -7.841 -7.841 300 2HB LYS 44 1HB LYS 44 8.211 -7.357 -7.357 301 1HG LYS 44 2HG LYS 44 6.051 -8.369 -8.369 302 2HG LYS 44 1HG LYS 44 6.781 -8.881 -8.881 303 1HD LYS 44 2HD LYS 44 6.801 -10.729 -10.729 304 2HD LYS 44 1HD LYS 44 8.448 -10.214 -10.214 305 1HE LYS 44 2HE LYS 44 8.824 -9.548 -9.548 306 2HE LYS 44 1HE LYS 44 7.249 -8.738 -8.738 307 1HZ LYS 44 3HZ LYS 44 6.188 -10.900 -10.900 308 2HZ LYS 44 2HZ LYS 44 7.698 -11.673 -11.673 309 3HZ LYS 44 1HZ LYS 44 7.316 -10.678 -10.678 310 H LEU 45 H LEU 45 5.306 -4.960 -4.960 311 HA LEU 45 HA LEU 45 3.603 -6.775 -6.775 312 1HB LEU 45 2HB LEU 45 3.296 -4.459 -4.459 313 2HB LEU 45 1HB LEU 45 1.953 -4.863 -4.863 314 HG LEU 45 HG LEU 45 3.339 -6.909 -6.909 315 1HD1 LEU 45 1HD1 LEU 45 2.183 -4.970 -4.970 316 2HD1 LEU 45 3HD1 LEU 45 0.677 -5.608 -5.608 317 3HD1 LEU 45 2HD1 LEU 45 1.663 -6.604 -6.604 318 1HD2 LEU 45 3HD2 LEU 45 1.865 -7.406 -7.406 319 2HD2 LEU 45 2HD2 LEU 45 1.656 -8.369 -8.369 320 3HD2 LEU 45 1HD2 LEU 45 0.529 -7.063 -7.063 321 HA PRO 46 HA PRO 46 3.634 -4.287 -4.287 322 1HB PRO 46 2HB PRO 46 1.067 -4.627 -4.627 323 2HB PRO 46 1HB PRO 46 2.313 -5.885 -5.885 324 1HG PRO 46 2HG PRO 46 0.074 -5.606 -5.606 325 2HG PRO 46 1HG PRO 46 0.783 -7.061 -7.061 326 1HD PRO 46 2HD PRO 46 1.302 -6.185 -6.185 327 2HD PRO 46 1HD PRO 46 2.390 -7.221 -7.221 328 H VAL 47 H VAL 47 2.963 -2.200 -2.200 329 HA VAL 47 HA VAL 47 2.279 -0.243 -0.243 330 HB VAL 47 HB VAL 47 2.209 -0.473 -0.473 331 1HG1 VAL 47 1HG1 VAL 47 1.380 1.953 1.953 332 2HG1 VAL 47 3HG1 VAL 47 1.723 1.972 1.972 333 3HG1 VAL 47 2HG1 VAL 47 0.357 1.042 1.042 334 1HG2 VAL 47 1HG2 VAL 47 3.974 0.575 0.575 335 2HG2 VAL 47 3HG2 VAL 47 4.383 -0.031 -0.031 336 3HG2 VAL 47 2HG2 VAL 47 3.819 1.629 1.629 337 H ASP 48 H ASP 48 0.167 -2.528 -2.528 338 HA ASP 48 HA ASP 48 -2.257 -0.965 -0.965 339 1HB ASP 48 2HB ASP 48 -1.329 -3.677 -3.677 340 2HB ASP 48 1HB ASP 48 -2.880 -3.649 -3.649 341 H ILE 49 H ILE 49 -0.639 -3.141 -3.141 342 HA ILE 49 HA ILE 49 -2.672 -3.081 -3.081 343 HB ILE 49 HB ILE 49 0.304 -3.356 -3.356 344 1HG1 ILE 49 2HG1 ILE 49 0.007 -4.771 -4.771 345 2HG1 ILE 49 1HG1 ILE 49 -0.167 -5.850 -5.850 346 1HG2 ILE 49 2HG2 ILE 49 -2.055 -3.772 -3.772 347 2HG2 ILE 49 1HG2 ILE 49 -1.256 -5.327 -5.327 348 3HG2 ILE 49 3HG2 ILE 49 -0.371 -3.978 -3.978 349 1HD1 ILE 49 2HD1 ILE 49 -2.504 -4.539 -4.539 350 2HD1 ILE 49 1HD1 ILE 49 -1.928 -6.168 -6.168 351 3HD1 ILE 49 3HD1 ILE 49 -2.577 -5.785 -5.785 352 H LEU 50 H LEU 50 0.331 -1.326 -1.326 353 HA LEU 50 HA LEU 50 0.175 0.430 0.430 354 1HB LEU 50 2HB LEU 50 1.406 1.094 1.094 355 2HB LEU 50 1HB LEU 50 1.988 1.535 1.535 356 HG LEU 50 HG LEU 50 2.142 -1.129 -1.129 357 1HD1 LEU 50 2HD1 LEU 50 4.027 0.833 0.833 358 2HD1 LEU 50 1HD1 LEU 50 4.499 -0.858 -0.858 359 3HD1 LEU 50 3HD1 LEU 50 4.104 0.086 0.086 360 1HD2 LEU 50 1HD2 LEU 50 1.158 -1.366 -1.366 361 2HD2 LEU 50 3HD2 LEU 50 2.634 -2.266 -2.266 362 3HD2 LEU 50 2HD2 LEU 50 2.703 -0.762 -0.762 363 H GLY 51 H GLY 51 -1.474 0.355 0.355 364 1HA GLY 51 2HA GLY 51 -2.281 3.193 3.193 365 2HA GLY 51 1HA GLY 51 -2.768 2.050 2.050 366 H ARG 52 H ARG 52 -3.477 0.011 0.011 367 HA ARG 52 HA ARG 52 -6.193 1.029 1.029 368 1HB ARG 52 2HB ARG 52 -5.021 -1.383 -1.383 369 2HB ARG 52 1HB ARG 52 -5.611 -1.713 -1.713 370 1HG ARG 52 2HG ARG 52 -7.818 -0.720 -0.720 371 2HG ARG 52 1HG ARG 52 -7.212 -0.594 -0.594 372 1HD ARG 52 2HD ARG 52 -6.736 -3.257 -3.257 373 2HD ARG 52 1HD ARG 52 -8.461 -2.840 -2.840 374 HE ARG 52 HE ARG 52 -7.817 -1.948 -1.948 375 1HH1 ARG 52 1HH2 ARG 52 -9.044 -4.736 -4.736 376 2HH1 ARG 52 2HH2 ARG 52 -8.107 -5.760 -5.760 377 1HH2 ARG 52 2HH1 ARG 52 -5.748 -3.325 -3.325 378 2HH2 ARG 52 1HH1 ARG 52 -6.242 -4.963 -4.963 379 H VAL 53 H VAL 53 -3.617 -0.832 -0.832 380 HA VAL 53 HA VAL 53 -4.570 -0.753 -0.753 381 HB VAL 53 HB VAL 53 -1.779 -0.458 -0.458 382 1HG1 VAL 53 3HG1 VAL 53 -2.601 -0.011 -0.011 383 2HG1 VAL 53 2HG1 VAL 53 -1.854 -1.609 -1.609 384 3HG1 VAL 53 1HG1 VAL 53 -0.953 -0.205 -0.205 385 1HG2 VAL 53 1HG2 VAL 53 -3.219 -2.542 -2.542 386 2HG2 VAL 53 3HG2 VAL 53 -1.633 -2.821 -2.821 387 3HG2 VAL 53 2HG2 VAL 53 -3.080 -2.860 -2.860 388 H TRP 54 H TRP 54 -2.713 1.764 1.764 389 HA TRP 54 HA TRP 54 -2.579 3.639 3.639 390 1HB TRP 54 2HB TRP 54 -1.128 3.895 3.895 391 2HB TRP 54 1HB TRP 54 -2.478 3.841 3.841 392 HD1 TRP 54 HD1 TRP 54 -4.259 5.951 5.951 393 HE1 TRP 54 HE1 TRP 54 -3.767 8.439 8.439 394 HE3 TRP 54 HE3 TRP 54 0.350 5.522 5.522 395 HZ2 TRP 54 HZ2 TRP 54 -1.692 10.028 10.028 396 HZ3 TRP 54 HZ3 TRP 54 1.563 7.534 7.534 397 HH2 TRP 54 HH2 TRP 54 0.546 9.784 9.784 398 H GLU 55 H GLU 55 -4.721 3.642 3.642 399 HA GLU 55 HA GLU 55 -6.388 5.761 5.761 400 1HB GLU 55 2HB GLU 55 -7.584 5.002 5.002 401 2HB GLU 55 1HB GLU 55 -6.262 3.853 3.853 402 1HG GLU 55 2HG GLU 55 -7.480 2.155 2.155 403 2HG GLU 55 1HG GLU 55 -8.715 3.301 3.301 404 H LEU 56 H LEU 56 -6.857 2.351 2.351 405 HA LEU 56 HA LEU 56 -9.099 2.906 2.906 406 1HB LEU 56 2HB LEU 56 -7.130 0.594 0.594 407 2HB LEU 56 1HB LEU 56 -8.686 0.561 0.561 408 HG LEU 56 HG LEU 56 -8.831 1.448 1.448 409 1HD1 LEU 56 1HD1 LEU 56 -7.014 -0.439 -0.439 410 2HD1 LEU 56 3HD1 LEU 56 -8.406 -1.493 -1.493 411 3HD1 LEU 56 2HD1 LEU 56 -8.263 -0.568 -0.568 412 1HD2 LEU 56 1HD2 LEU 56 -10.427 0.117 0.117 413 2HD2 LEU 56 3HD2 LEU 56 -10.963 0.894 0.894 414 3HD2 LEU 56 2HD2 LEU 56 -10.465 -0.797 -0.797 415 H SER 57 H SER 57 -5.770 3.491 3.491 416 HA SER 57 HA SER 57 -5.682 3.336 3.336 417 1HB SER 57 2HB SER 57 -3.732 2.421 2.421 418 2HB SER 57 1HB SER 57 -3.796 3.362 3.362 419 HG SER 57 HG SER 57 -2.434 4.634 4.634 420 H ASP 58 H ASP 58 -5.413 5.624 5.624 421 HA ASP 58 HA ASP 58 -4.827 7.924 7.924 422 1HB ASP 58 2HB ASP 58 -4.302 7.370 7.370 423 2HB ASP 58 1HB ASP 58 -5.905 8.058 8.058 424 H ILE 59 H ILE 59 -6.636 7.761 7.761 425 HA ILE 59 HA ILE 59 -9.348 7.623 7.623 426 HB ILE 59 HB ILE 59 -7.896 9.254 9.254 427 1HG1 ILE 59 2HG1 ILE 59 -7.412 6.775 6.775 428 2HG1 ILE 59 1HG1 ILE 59 -8.158 7.302 7.302 429 1HG2 ILE 59 2HG2 ILE 59 -10.350 9.809 9.809 430 2HG2 ILE 59 1HG2 ILE 59 -10.718 8.177 8.177 431 3HG2 ILE 59 3HG2 ILE 59 -9.945 9.330 9.330 432 1HD1 ILE 59 1HD1 ILE 59 -9.713 6.176 6.176 433 2HD1 ILE 59 3HD1 ILE 59 -9.173 5.211 5.211 434 3HD1 ILE 59 2HD1 ILE 59 -10.329 6.524 6.524 435 H ASP 60 H ASP 60 -7.157 10.388 10.388 436 HA ASP 60 HA ASP 60 -9.464 12.146 12.146 437 1HB ASP 60 2HB ASP 60 -6.528 12.820 12.820 438 2HB ASP 60 1HB ASP 60 -7.886 13.944 13.944 439 H HIS 61 H HIS 61 -6.888 10.360 10.360 440 HA HIS 61 HA HIS 61 -6.235 10.224 10.224 441 1HB HIS 61 2HB HIS 61 -9.052 11.224 11.224 442 2HB HIS 61 1HB HIS 61 -8.199 11.265 11.265 443 HD1 HIS 61 HD1 HIS 61 -7.862 9.070 9.070 444 HD2 HIS 61 HD2 HIS 61 -9.273 8.536 8.536 445 HE1 HIS 61 HE1 HIS 61 -8.447 6.616 6.616 446 H ASP 62 H ASP 62 -5.557 12.580 12.580 447 HA ASP 62 HA ASP 62 -5.664 14.889 14.889 448 1HB ASP 62 2HB ASP 62 -4.873 16.072 16.072 449 2HB ASP 62 1HB ASP 62 -6.029 14.877 14.877 450 H GLY 63 H GLY 63 -3.595 12.239 12.239 451 1HA GLY 63 2HA GLY 63 -1.689 12.007 12.007 452 2HA GLY 63 1HA GLY 63 -1.341 13.713 13.713 453 H MET 64 H MET 64 -2.322 12.177 12.177 454 HA MET 64 HA MET 64 0.405 11.320 11.320 455 1HB MET 64 2HB MET 64 -0.978 13.256 13.256 456 2HB MET 64 1HB MET 64 0.746 12.953 12.953 457 1HG MET 64 2HG MET 64 0.559 14.002 14.002 458 2HG MET 64 1HG MET 64 -1.079 14.485 14.485 459 1HE MET 64 3HE MET 64 2.371 14.154 14.154 460 2HE MET 64 2HE MET 64 2.866 15.815 15.815 461 3HE MET 64 1HE MET 64 2.682 15.256 15.256 462 H LEU 65 H LEU 65 0.442 10.138 10.138 463 HA LEU 65 HA LEU 65 -2.250 9.034 9.034 464 1HB LEU 65 2HB LEU 65 0.554 7.892 7.892 465 2HB LEU 65 1HB LEU 65 -0.724 7.058 7.058 466 HG LEU 65 HG LEU 65 -0.832 7.862 7.862 467 1HD1 LEU 65 2HD1 LEU 65 0.690 5.902 5.902 468 2HD1 LEU 65 1HD1 LEU 65 -0.831 5.058 5.058 469 3HD1 LEU 65 3HD1 LEU 65 -0.415 5.606 5.606 470 1HD2 LEU 65 1HD2 LEU 65 -2.765 6.423 6.423 471 2HD2 LEU 65 3HD2 LEU 65 -3.039 7.923 7.923 472 3HD2 LEU 65 2HD2 LEU 65 -2.905 6.400 6.400 473 H ASP 66 H ASP 66 -2.801 9.796 9.796 474 HA ASP 66 HA ASP 66 -0.821 10.856 10.856 475 1HB ASP 66 2HB ASP 66 -2.947 11.894 11.894 476 2HB ASP 66 1HB ASP 66 -3.792 10.352 10.352 477 H ARG 67 H ARG 67 -0.946 10.024 10.024 478 HA ARG 67 HA ARG 67 0.161 7.487 7.487 479 1HB ARG 67 2HB ARG 67 -0.507 7.742 7.742 480 2HB ARG 67 1HB ARG 67 0.087 9.262 9.262 481 1HG ARG 67 2HG ARG 67 -2.444 9.656 9.656 482 2HG ARG 67 1HG ARG 67 -2.722 8.466 8.466 483 1HD ARG 67 2HD ARG 67 -0.872 10.800 10.800 484 2HD ARG 67 1HD ARG 67 -2.627 10.975 10.975 485 HE ARG 67 HE ARG 67 -0.927 9.020 9.020 486 1HH1 ARG 67 1HH2 ARG 67 -4.104 9.850 9.850 487 2HH1 ARG 67 2HH2 ARG 67 -4.710 9.785 9.785 488 1HH2 ARG 67 2HH1 ARG 67 -1.589 9.316 9.316 489 2HH2 ARG 67 1HH1 ARG 67 -3.288 9.479 9.479 490 H ASP 68 H ASP 68 -3.310 8.302 8.302 491 HA ASP 68 HA ASP 68 -4.078 5.527 5.527 492 1HB ASP 68 2HB ASP 68 -5.247 8.206 8.206 493 2HB ASP 68 1HB ASP 68 -6.324 6.999 6.999 494 H GLU 69 H GLU 69 -3.961 7.672 7.672 495 HA GLU 69 HA GLU 69 -5.422 5.877 5.877 496 1HB GLU 69 2HB GLU 69 -3.412 8.055 8.055 497 2HB GLU 69 1HB GLU 69 -4.696 7.457 7.457 498 1HG GLU 69 2HG GLU 69 -6.397 8.395 8.395 499 2HG GLU 69 1HG GLU 69 -5.255 8.712 8.712 500 H PHE 70 H PHE 70 -1.986 6.728 6.728 501 HA PHE 70 HA PHE 70 -0.836 4.950 4.950 502 1HB PHE 70 2HB PHE 70 0.250 6.732 6.732 503 2HB PHE 70 1HB PHE 70 0.172 5.588 5.588 504 HD1 PHE 70 HD1 PHE 70 1.568 6.152 6.152 505 HD2 PHE 70 HD2 PHE 70 1.704 3.758 3.758 506 HE1 PHE 70 HE1 PHE 70 3.637 5.060 5.060 507 HE2 PHE 70 HE2 PHE 70 3.775 2.669 2.669 508 HZ PHE 70 HZ PHE 70 4.743 3.323 3.323 509 H ALA 71 H ALA 71 -2.162 4.392 4.392 510 HA ALA 71 HA ALA 71 -1.203 1.776 1.776 511 1HB ALA 71 1HB ALA 71 -2.827 3.591 3.591 512 2HB ALA 71 3HB ALA 71 -4.029 2.426 2.426 513 3HB ALA 71 2HB ALA 71 -2.726 1.908 1.908 514 H VAL 72 H VAL 72 -4.269 2.726 2.726 515 HA VAL 72 HA VAL 72 -5.199 0.152 0.152 516 HB VAL 72 HB VAL 72 -5.440 2.855 2.855 517 1HG1 VAL 72 1HG1 VAL 72 -6.917 0.259 0.259 518 2HG1 VAL 72 3HG1 VAL 72 -7.582 1.828 1.828 519 3HG1 VAL 72 2HG1 VAL 72 -6.077 1.261 1.261 520 1HG2 VAL 72 3HG2 VAL 72 -6.252 2.355 2.355 521 2HG2 VAL 72 2HG2 VAL 72 -7.354 3.170 3.170 522 3HG2 VAL 72 1HG2 VAL 72 -7.534 1.443 1.443 523 H ALA 73 H ALA 73 -2.658 2.080 2.080 524 HA ALA 73 HA ALA 73 -2.566 0.429 0.429 525 1HB ALA 73 1HB ALA 73 -1.727 3.010 3.010 526 2HB ALA 73 3HB ALA 73 -0.311 2.145 2.145 527 3HB ALA 73 2HB ALA 73 -1.723 2.380 2.380 528 H MET 74 H MET 74 -1.345 0.076 0.076 529 HA MET 74 HA MET 74 1.191 -1.181 -1.181 530 1HB MET 74 2HB MET 74 -0.002 -1.020 -1.020 531 2HB MET 74 1HB MET 74 1.683 -1.301 -1.301 532 1HG MET 74 2HG MET 74 0.150 1.243 1.243 533 2HG MET 74 1HG MET 74 1.843 0.940 0.940 534 1HE MET 74 3HE MET 74 2.986 -0.433 -0.433 535 2HE MET 74 2HE MET 74 2.849 -0.164 -0.164 536 3HE MET 74 1HE MET 74 3.841 0.917 0.917 537 H PHE 75 H PHE 75 -1.960 -2.130 -2.130 538 HA PHE 75 HA PHE 75 -1.170 -4.960 -4.960 539 1HB PHE 75 2HB PHE 75 -3.239 -5.231 -5.231 540 2HB PHE 75 1HB PHE 75 -2.881 -3.547 -3.547 541 HD1 PHE 75 HD1 PHE 75 -4.736 -5.762 -5.762 542 HD2 PHE 75 HD2 PHE 75 -4.265 -1.793 -1.793 543 HE1 PHE 75 HE1 PHE 75 -6.815 -5.060 -5.060 544 HE2 PHE 75 HE2 PHE 75 -6.337 -1.093 -1.093 545 HZ PHE 75 HZ PHE 75 -7.617 -2.723 -2.723 546 H LEU 76 H LEU 76 -2.626 -2.735 -2.735 547 HA LEU 76 HA LEU 76 -3.810 -4.738 -4.738 548 1HB LEU 76 2HB LEU 76 -3.488 -1.822 -1.822 549 2HB LEU 76 1HB LEU 76 -3.466 -2.405 -2.405 550 HG LEU 76 HG LEU 76 -5.571 -3.263 -3.263 551 1HD1 LEU 76 1HD1 LEU 76 -5.232 -0.707 -0.707 552 2HD1 LEU 76 3HD1 LEU 76 -6.716 -1.507 -1.507 553 3HD1 LEU 76 2HD1 LEU 76 -6.440 -1.186 -1.186 554 1HD2 LEU 76 3HD2 LEU 76 -4.914 -4.412 -4.412 555 2HD2 LEU 76 2HD2 LEU 76 -6.597 -4.271 -4.271 556 3HD2 LEU 76 1HD2 LEU 76 -5.921 -3.118 -3.118 557 H VAL 77 H VAL 77 -0.689 -3.260 -3.260 558 HA VAL 77 HA VAL 77 0.312 -4.131 -4.131 559 HB VAL 77 HB VAL 77 1.451 -2.668 -2.668 560 1HG1 VAL 77 2HG1 VAL 77 2.825 -3.911 -3.911 561 2HG1 VAL 77 1HG1 VAL 77 3.298 -2.254 -2.254 562 3HG1 VAL 77 3HG1 VAL 77 3.454 -3.524 -3.524 563 1HG2 VAL 77 2HG2 VAL 77 0.799 -1.864 -1.864 564 2HG2 VAL 77 1HG2 VAL 77 -0.062 -1.370 -1.370 565 3HG2 VAL 77 3HG2 VAL 77 1.586 -0.813 -0.813 566 H TYR 78 H TYR 78 0.466 -5.032 -5.032 567 HA TYR 78 HA TYR 78 2.495 -7.109 -7.109 568 1HB TYR 78 2HB TYR 78 1.039 -5.811 -5.811 569 2HB TYR 78 1HB TYR 78 1.338 -7.530 -7.530 570 HD1 TYR 78 HD2 TYR 78 3.813 -8.224 -8.224 571 HD2 TYR 78 HD1 TYR 78 2.680 -4.430 -4.430 572 HE1 TYR 78 HE2 TYR 78 6.193 -7.736 -7.736 573 HE2 TYR 78 HE1 TYR 78 5.055 -3.941 -3.941 574 HH TYR 78 HH TYR 78 7.159 -4.633 -4.633 575 H CYS 79 H CYS 79 -0.991 -6.840 -6.840 576 HA CYS 79 HA CYS 79 -1.412 -9.753 -9.753 577 1HB CYS 79 2HB CYS 79 -3.156 -7.305 -7.305 578 2HB CYS 79 1HB CYS 79 -3.817 -8.939 -8.939 579 HG CYS 79 HG CYS 79 -3.959 -8.475 -8.475 580 H ALA 80 H ALA 80 -0.680 -7.473 -7.473 581 HA ALA 80 HA ALA 80 -2.108 -8.866 -8.866 582 1HB ALA 80 2HB ALA 80 -0.389 -6.493 -6.493 583 2HB ALA 80 1HB ALA 80 -0.178 -7.268 -7.268 584 3HB ALA 80 3HB ALA 80 -1.771 -6.691 -6.691 585 H LEU 81 H LEU 81 0.853 -9.117 -9.117 586 HA LEU 81 HA LEU 81 2.251 -10.648 -10.648 587 1HB LEU 81 2HB LEU 81 3.063 -10.139 -10.139 588 2HB LEU 81 1HB LEU 81 4.113 -10.417 -10.417 589 HG LEU 81 HG LEU 81 2.265 -8.053 -8.053 590 1HD1 LEU 81 3HD1 LEU 81 3.485 -8.193 -8.193 591 2HD1 LEU 81 2HD1 LEU 81 4.972 -7.960 -7.960 592 3HD1 LEU 81 1HD1 LEU 81 3.719 -6.718 -6.718 593 1HD2 LEU 81 1HD2 LEU 81 5.009 -8.740 -8.740 594 2HD2 LEU 81 3HD2 LEU 81 3.530 -8.460 -8.460 595 3HD2 LEU 81 2HD2 LEU 81 4.322 -7.118 -7.118 596 H GLU 82 H GLU 82 0.846 -11.160 -11.160 597 HA GLU 82 HA GLU 82 1.115 -14.108 -14.108 598 1HB GLU 82 2HB GLU 82 2.610 -13.558 -13.558 599 2HB GLU 82 1HB GLU 82 1.525 -12.347 -12.347 600 1HG GLU 82 2HG GLU 82 0.234 -13.919 -13.919 601 2HG GLU 82 1HG GLU 82 0.609 -15.197 -15.197 602 H LYS 83 H LYS 83 -1.196 -11.598 -11.598 603 HA LYS 83 HA LYS 83 -3.094 -13.529 -13.529 604 1HB LYS 83 2HB LYS 83 -2.643 -11.075 -11.075 605 2HB LYS 83 1HB LYS 83 -3.671 -10.658 -10.658 606 1HG LYS 83 2HG LYS 83 -5.516 -11.157 -11.157 607 2HG LYS 83 1HG LYS 83 -4.901 -12.778 -12.778 608 1HD LYS 83 2HD LYS 83 -3.397 -10.994 -10.994 609 2HD LYS 83 1HD LYS 83 -5.090 -10.530 -10.530 610 1HE LYS 83 2HE LYS 83 -5.647 -12.488 -12.488 611 2HE LYS 83 1HE LYS 83 -4.534 -13.454 -13.454 612 1HZ LYS 83 1HZ LYS 83 -3.348 -11.440 -11.440 613 2HZ LYS 83 3HZ LYS 83 -3.990 -12.811 -12.811 614 3HZ LYS 83 2HZ LYS 83 -2.778 -12.985 -12.985 615 H GLU 84 H GLU 84 -3.684 -11.024 -11.024 616 HA GLU 84 HA GLU 84 -4.512 -12.937 -12.937 617 1HB GLU 84 2HB GLU 84 -6.286 -12.187 -12.187 618 2HB GLU 84 1HB GLU 84 -6.959 -11.654 -11.654 619 1HG GLU 84 2HG GLU 84 -6.934 -13.866 -13.866 620 2HG GLU 84 1HG GLU 84 -5.864 -14.446 -14.446 621 HA PRO 85 HA PRO 85 -4.572 -9.374 -9.374 622 1HB PRO 85 2HB PRO 85 -7.009 -9.297 -9.297 623 2HB PRO 85 1HB PRO 85 -5.735 -10.462 -10.462 624 1HG PRO 85 2HG PRO 85 -8.155 -10.827 -10.827 625 2HG PRO 85 1HG PRO 85 -7.432 -11.927 -11.927 626 1HD PRO 85 2HD PRO 85 -7.088 -12.228 -12.228 627 2HD PRO 85 1HD PRO 85 -5.846 -12.698 -12.698 628 H VAL 86 H VAL 86 -5.508 -7.154 -7.154 629 HA VAL 86 HA VAL 86 -7.049 -6.322 -6.322 630 HB VAL 86 HB VAL 86 -4.941 -5.026 -5.026 631 1HG1 VAL 86 1HG1 VAL 86 -6.841 -3.801 -3.801 632 2HG1 VAL 86 3HG1 VAL 86 -5.242 -3.109 -3.109 633 3HG1 VAL 86 2HG1 VAL 86 -6.391 -3.212 -3.212 634 1HG2 VAL 86 1HG2 VAL 86 -5.149 -6.005 -6.005 635 2HG2 VAL 86 3HG2 VAL 86 -3.887 -6.322 -6.322 636 3HG2 VAL 86 2HG2 VAL 86 -3.989 -4.742 -4.742 637 HA PRO 87 HA PRO 87 -10.055 -5.100 -5.100 638 1HB PRO 87 2HB PRO 87 -12.070 -4.600 -4.600 639 2HB PRO 87 1HB PRO 87 -11.630 -6.241 -6.241 640 1HG PRO 87 2HG PRO 87 -11.068 -4.837 -4.837 641 2HG PRO 87 1HG PRO 87 -11.289 -6.563 -6.563 642 1HD PRO 87 2HD PRO 87 -8.847 -5.250 -5.250 643 2HD PRO 87 1HD PRO 87 -9.070 -6.887 -6.887 644 H MET 88 H MET 88 -11.115 -2.996 -2.996 645 HA MET 88 HA MET 88 -9.635 -0.712 -0.712 646 1HB MET 88 2HB MET 88 -11.907 -0.743 -0.743 647 2HB MET 88 1HB MET 88 -10.680 0.502 0.502 648 1HG MET 88 2HG MET 88 -9.022 -0.764 -0.764 649 2HG MET 88 1HG MET 88 -9.804 -2.294 -2.294 650 1HE MET 88 2HE MET 88 -8.535 -1.026 -1.026 651 2HE MET 88 1HE MET 88 -9.725 -0.355 -0.355 652 3HE MET 88 3HE MET 88 -9.280 0.531 0.531 653 H SER 89 H SER 89 -11.987 -2.358 -2.358 654 HA SER 89 HA SER 89 -13.743 -0.012 -0.012 655 1HB SER 89 2HB SER 89 -14.044 -2.997 -2.997 656 2HB SER 89 1HB SER 89 -15.239 -1.829 -1.829 657 HG SER 89 HG SER 89 -14.953 -1.076 -1.076 658 H LEU 90 H LEU 90 -13.026 1.097 1.097 659 HA LEU 90 HA LEU 90 -11.708 -0.309 -0.309 660 1HB LEU 90 2HB LEU 90 -10.538 1.625 1.625 661 2HB LEU 90 1HB LEU 90 -11.855 2.374 2.374 662 HG LEU 90 HG LEU 90 -12.951 3.028 3.028 663 1HD1 LEU 90 2HD1 LEU 90 -11.767 0.820 0.820 664 2HD1 LEU 90 1HD1 LEU 90 -10.797 2.124 2.124 665 3HD1 LEU 90 3HD1 LEU 90 -12.542 2.108 2.108 666 1HD2 LEU 90 3HD2 LEU 90 -10.645 4.109 4.109 667 2HD2 LEU 90 2HD2 LEU 90 -11.527 4.755 4.755 668 3HD2 LEU 90 1HD2 LEU 90 -10.150 3.682 3.682 669 HA PRO 91 HA PRO 91 -15.981 -0.514 -0.514 670 1HB PRO 91 2HB PRO 91 -15.389 -2.345 -2.345 671 2HB PRO 91 1HB PRO 91 -15.727 -2.788 -2.788 672 1HG PRO 91 2HG PRO 91 -13.095 -2.430 -2.430 673 2HG PRO 91 1HG PRO 91 -13.622 -3.715 -3.715 674 1HD PRO 91 2HD PRO 91 -12.081 -1.706 -1.706 675 2HD PRO 91 1HD PRO 91 -13.375 -2.386 -2.386 676 HA PRO 92 HA PRO 92 -15.738 2.138 2.138 677 1HB PRO 92 2HB PRO 92 -17.761 1.227 1.227 678 2HB PRO 92 1HB PRO 92 -18.044 2.106 2.106 679 1HG PRO 92 2HG PRO 92 -18.178 -0.814 -0.814 680 2HG PRO 92 1HG PRO 92 -19.211 0.189 0.189 681 1HD PRO 92 2HD PRO 92 -17.234 -1.421 -1.421 682 2HD PRO 92 1HD PRO 92 -17.780 0.059 0.059 683 H ALA 93 H ALA 93 -15.113 -1.180 -1.180 684 HA ALA 93 HA ALA 93 -14.646 -1.194 -1.194 685 1HB ALA 93 1HB ALA 93 -14.731 -3.005 -3.005 686 2HB ALA 93 3HB ALA 93 -13.184 -3.218 -3.218 687 3HB ALA 93 2HB ALA 93 -14.692 -3.398 -3.398 688 H LEU 94 H LEU 94 -13.040 0.168 0.168 689 HA LEU 94 HA LEU 94 -10.396 0.028 0.028 690 1HB LEU 94 2HB LEU 94 -11.241 0.557 0.557 691 2HB LEU 94 1HB LEU 94 -9.574 0.699 0.699 692 HG LEU 94 HG LEU 94 -10.859 -1.824 -1.824 693 1HD1 LEU 94 2HD1 LEU 94 -11.732 -1.106 -1.106 694 2HD1 LEU 94 1HD1 LEU 94 -10.126 -1.645 -1.645 695 3HD1 LEU 94 3HD1 LEU 94 -11.222 -2.765 -2.765 696 1HD2 LEU 94 3HD2 LEU 94 -8.419 -1.245 -1.245 697 2HD2 LEU 94 2HD2 LEU 94 -8.719 -2.720 -2.720 698 3HD2 LEU 94 1HD2 LEU 94 -8.338 -1.220 -1.220 699 H VAL 95 H VAL 95 -13.015 2.021 2.021 700 HA VAL 95 HA VAL 95 -11.579 4.562 4.562 701 HB VAL 95 HB VAL 95 -14.420 3.723 3.723 702 1HG1 VAL 95 2HG1 VAL 95 -13.851 5.882 5.882 703 2HG1 VAL 95 1HG1 VAL 95 -13.424 6.561 6.561 704 3HG1 VAL 95 3HG1 VAL 95 -15.084 6.056 6.056 705 1HG2 VAL 95 2HG2 VAL 95 -12.948 4.929 4.929 706 2HG2 VAL 95 1HG2 VAL 95 -13.830 3.404 3.404 707 3HG2 VAL 95 3HG2 VAL 95 -14.709 4.932 4.932 708 HA PRO 96 HA PRO 96 -10.719 4.574 4.574 709 1HB PRO 96 2HB PRO 96 -8.972 6.683 6.683 710 2HB PRO 96 1HB PRO 96 -8.503 5.018 5.018 711 1HG PRO 96 2HG PRO 96 -9.186 7.279 7.279 712 2HG PRO 96 1HG PRO 96 -7.947 6.027 6.027 713 1HD PRO 96 2HD PRO 96 -10.330 5.979 5.979 714 2HD PRO 96 1HD PRO 96 -9.414 4.516 4.516 715 HA PRO 97 HA PRO 97 -13.244 7.937 7.937 716 1HB PRO 97 2HB PRO 97 -11.897 9.066 9.066 717 2HB PRO 97 1HB PRO 97 -12.699 7.485 7.485 718 1HG PRO 97 2HG PRO 97 -9.816 8.124 8.124 719 2HG PRO 97 1HG PRO 97 -10.566 6.847 6.847 720 1HD PRO 97 2HD PRO 97 -9.456 6.405 6.405 721 2HD PRO 97 1HD PRO 97 -10.797 5.436 5.436 722 H SER 98 H SER 98 -12.026 8.735 8.735 723 HA SER 98 HA SER 98 -11.288 11.566 11.566 724 1HB SER 98 2HB SER 98 -10.023 9.788 9.788 725 2HB SER 98 1HB SER 98 -9.511 11.410 11.410 726 HG SER 98 HG SER 98 -8.888 10.625 10.625 727 H LYS 99 H LYS 99 -12.453 9.177 9.177 728 HA LYS 99 HA LYS 99 -13.631 11.274 11.274 729 1HB LYS 99 2HB LYS 99 -12.502 8.884 8.884 730 2HB LYS 99 1HB LYS 99 -14.171 8.350 8.350 731 1HG LYS 99 2HG LYS 99 -14.582 10.507 10.507 732 2HG LYS 99 1HG LYS 99 -12.966 10.054 10.054 733 1HD LYS 99 2HD LYS 99 -15.406 8.253 8.253 734 2HD LYS 99 1HD LYS 99 -14.622 8.894 8.894 735 1HE LYS 99 2HE LYS 99 -12.846 7.409 7.409 736 2HE LYS 99 1HE LYS 99 -14.043 6.439 6.439 737 1HZ LYS 99 1HZ LYS 99 -12.752 8.508 8.508 738 2HZ LYS 99 3HZ LYS 99 -11.714 7.265 7.265 739 3HZ LYS 99 2HZ LYS 99 -13.098 6.896 6.896 740 H ARG 100 H ARG 100 -14.418 10.028 10.028 741 HA ARG 100 HA ARG 100 -17.003 8.967 8.967 742 1HB ARG 100 2HB ARG 100 -15.634 10.951 10.951 743 2HB ARG 100 1HB ARG 100 -17.228 10.292 10.292 744 1HG ARG 100 2HG ARG 100 -14.665 8.726 8.726 745 2HG ARG 100 1HG ARG 100 -15.565 8.909 8.909 746 1HD ARG 100 2HD ARG 100 -16.544 6.929 6.929 747 2HD ARG 100 1HD ARG 100 -17.508 7.945 7.945 748 HE ARG 100 HE ARG 100 -15.494 7.588 7.588 749 1HH1 ARG 100 1HH2 ARG 100 -14.542 5.582 5.582 750 2HH1 ARG 100 2HH2 ARG 100 -14.894 4.086 4.086 751 1HH2 ARG 100 2HH1 ARG 100 -16.849 5.552 5.552 752 2HH2 ARG 100 1HH1 ARG 100 -16.198 4.069 4.069 Start of MODEL 14 1 HA PRO 6 HA PRO 6 -14.211 -2.648 -2.648 2 1HB PRO 6 2HB PRO 6 -11.608 -3.417 -3.417 3 2HB PRO 6 1HB PRO 6 -12.881 -3.836 -3.836 4 1HG PRO 6 2HG PRO 6 -11.613 -5.503 -5.503 5 2HG PRO 6 1HG PRO 6 -12.203 -5.959 -5.959 6 1HD PRO 6 2HD PRO 6 -13.546 -6.432 -6.432 7 2HD PRO 6 1HD PRO 6 -14.306 -6.368 -6.368 8 H TRP 7 H TRP 7 -11.748 -1.644 -1.644 9 HA TRP 7 HA TRP 7 -12.027 -0.824 -0.824 10 1HB TRP 7 2HB TRP 7 -11.002 0.561 0.561 11 2HB TRP 7 1HB TRP 7 -9.754 -0.656 -0.656 12 HD1 TRP 7 HD1 TRP 7 -10.935 0.270 0.270 13 HE1 TRP 7 HE1 TRP 7 -8.981 1.362 1.362 14 HE3 TRP 7 HE3 TRP 7 -7.533 0.677 0.677 15 HZ2 TRP 7 HZ2 TRP 7 -6.324 2.290 2.290 16 HZ3 TRP 7 HZ3 TRP 7 -5.301 1.668 1.668 17 HH2 TRP 7 HH2 TRP 7 -4.691 2.473 2.473 18 H ALA 8 H ALA 8 -10.984 -1.585 -1.585 19 HA ALA 8 HA ALA 8 -10.175 -4.228 -4.228 20 1HB ALA 8 3HB ALA 8 -9.251 -1.697 -1.697 21 2HB ALA 8 2HB ALA 8 -8.981 -3.320 -3.320 22 3HB ALA 8 1HB ALA 8 -10.625 -2.709 -2.709 23 H VAL 9 H VAL 9 -8.296 -1.537 -1.537 24 HA VAL 9 HA VAL 9 -5.901 -3.332 -3.332 25 HB VAL 9 HB VAL 9 -6.202 -0.312 -0.312 26 1HG1 VAL 9 1HG1 VAL 9 -4.262 -1.449 -1.449 27 2HG1 VAL 9 3HG1 VAL 9 -3.609 -1.820 -1.820 28 3HG1 VAL 9 2HG1 VAL 9 -3.870 -0.142 -0.142 29 1HG2 VAL 9 2HG2 VAL 9 -5.592 -2.380 -2.380 30 2HG2 VAL 9 1HG2 VAL 9 -6.465 -0.855 -0.855 31 3HG2 VAL 9 3HG2 VAL 9 -4.703 -0.859 -0.859 32 H LYS 10 H LYS 10 -4.721 -3.338 -3.338 33 HA LYS 10 HA LYS 10 -6.380 -2.555 -2.555 34 1HB LYS 10 2HB LYS 10 -5.070 -4.956 -4.956 35 2HB LYS 10 1HB LYS 10 -4.354 -4.454 -4.454 36 1HG LYS 10 2HG LYS 10 -6.175 -5.158 -5.158 37 2HG LYS 10 1HG LYS 10 -7.208 -4.118 -4.118 38 1HD LYS 10 2HD LYS 10 -7.736 -5.802 -5.802 39 2HD LYS 10 1HD LYS 10 -6.201 -6.637 -6.637 40 1HE LYS 10 2HE LYS 10 -7.795 -6.548 -6.548 41 2HE LYS 10 1HE LYS 10 -8.619 -7.400 -7.400 42 1HZ LYS 10 3HZ LYS 10 -5.781 -7.837 -7.837 43 2HZ LYS 10 2HZ LYS 10 -7.063 -8.834 -8.834 44 3HZ LYS 10 1HZ LYS 10 -6.672 -8.712 -8.712 45 HA PRO 11 HA PRO 11 -3.083 -0.178 -0.178 46 1HB PRO 11 2HB PRO 11 -2.426 -1.307 -1.307 47 2HB PRO 11 1HB PRO 11 -3.926 -0.395 -0.395 48 1HG PRO 11 2HG PRO 11 -3.485 -3.341 -3.341 49 2HG PRO 11 1HG PRO 11 -4.827 -2.388 -2.388 50 1HD PRO 11 2HD PRO 11 -4.998 -3.760 -3.760 51 2HD PRO 11 1HD PRO 11 -5.903 -2.264 -2.264 52 H GLU 12 H GLU 12 -2.353 -3.662 -3.662 53 HA GLU 12 HA GLU 12 0.503 -3.374 -3.374 54 1HB GLU 12 2HB GLU 12 0.472 -5.762 -5.762 55 2HB GLU 12 1HB GLU 12 -0.956 -5.371 -5.371 56 1HG GLU 12 2HG GLU 12 -2.224 -5.223 -5.223 57 2HG GLU 12 1HG GLU 12 -0.812 -5.983 -5.983 58 H ASP 13 H ASP 13 -1.813 -3.422 -3.422 59 HA ASP 13 HA ASP 13 0.267 -3.708 -3.708 60 1HB ASP 13 2HB ASP 13 -2.663 -2.931 -2.931 61 2HB ASP 13 1HB ASP 13 -1.649 -3.561 -3.561 62 H LYS 14 H LYS 14 -1.832 -1.197 -1.197 63 HA LYS 14 HA LYS 14 -0.921 0.930 0.930 64 1HB LYS 14 2HB LYS 14 -3.050 0.897 0.897 65 2HB LYS 14 1HB LYS 14 -2.121 0.975 0.975 66 1HG LYS 14 2HG LYS 14 -2.592 3.227 3.227 67 2HG LYS 14 1HG LYS 14 -1.038 3.094 3.094 68 1HD LYS 14 2HD LYS 14 -2.015 3.805 3.805 69 2HD LYS 14 1HD LYS 14 -3.019 2.355 2.355 70 1HE LYS 14 2HE LYS 14 -4.528 4.242 4.242 71 2HE LYS 14 1HE LYS 14 -4.566 3.603 3.603 72 1HZ LYS 14 1HZ LYS 14 -2.800 5.796 5.796 73 2HZ LYS 14 3HZ LYS 14 -4.199 6.010 6.010 74 3HZ LYS 14 2HZ LYS 14 -2.863 5.186 5.186 75 H ALA 15 H ALA 15 0.478 -0.747 -0.747 76 HA ALA 15 HA ALA 15 2.157 1.436 1.436 77 1HB ALA 15 3HB ALA 15 1.429 -0.529 -0.529 78 2HB ALA 15 2HB ALA 15 2.337 -1.588 -1.588 79 3HB ALA 15 1HB ALA 15 3.188 -0.416 -0.416 80 H LYS 16 H LYS 16 2.473 -1.307 -1.307 81 HA LYS 16 HA LYS 16 5.278 -0.708 -0.708 82 1HB LYS 16 2HB LYS 16 3.416 -2.450 -2.450 83 2HB LYS 16 1HB LYS 16 5.121 -2.708 -2.708 84 1HG LYS 16 2HG LYS 16 3.926 -2.646 -2.646 85 2HG LYS 16 1HG LYS 16 2.745 -3.500 -3.500 86 1HD LYS 16 2HD LYS 16 5.680 -4.215 -4.215 87 2HD LYS 16 1HD LYS 16 4.589 -4.928 -4.928 88 1HE LYS 16 2HE LYS 16 3.113 -5.706 -5.706 89 2HE LYS 16 1HE LYS 16 4.309 -5.086 -5.086 90 1HZ LYS 16 2HZ LYS 16 5.347 -6.714 -6.714 91 2HZ LYS 16 1HZ LYS 16 4.423 -7.542 -7.542 92 3HZ LYS 16 3HZ LYS 16 5.800 -6.675 -6.675 93 H TYR 17 H TYR 17 2.050 -0.350 -0.350 94 HA TYR 17 HA TYR 17 2.839 0.835 0.835 95 1HB TYR 17 2HB TYR 17 0.355 1.229 1.229 96 2HB TYR 17 1HB TYR 17 0.485 1.607 1.607 97 HD1 TYR 17 HD1 TYR 17 2.434 -1.263 -1.263 98 HD2 TYR 17 HD2 TYR 17 -1.670 0.003 0.003 99 HE1 TYR 17 HE1 TYR 17 1.735 -3.571 -3.571 100 HE2 TYR 17 HE2 TYR 17 -2.371 -2.305 -2.305 101 HH TYR 17 HH TYR 17 -0.707 -4.476 -4.476 102 H ASP 18 H ASP 18 2.674 1.901 1.901 103 HA ASP 18 HA ASP 18 2.750 4.783 4.783 104 1HB ASP 18 2HB ASP 18 1.460 4.229 4.229 105 2HB ASP 18 1HB ASP 18 2.700 3.137 3.137 106 H ALA 19 H ALA 19 4.947 2.192 2.192 107 HA ALA 19 HA ALA 19 7.200 3.985 3.985 108 1HB ALA 19 3HB ALA 19 6.479 1.224 1.224 109 2HB ALA 19 2HB ALA 19 7.959 1.297 1.297 110 3HB ALA 19 1HB ALA 19 7.906 2.036 2.036 111 H ILE 20 H ILE 20 5.780 2.226 2.226 112 HA ILE 20 HA ILE 20 7.984 2.615 2.615 113 HB ILE 20 HB ILE 20 5.144 1.582 1.582 114 1HG1 ILE 20 2HG1 ILE 20 7.686 0.249 0.249 115 2HG1 ILE 20 1HG1 ILE 20 7.166 0.202 0.202 116 1HG2 ILE 20 2HG2 ILE 20 6.874 2.118 2.118 117 2HG2 ILE 20 1HG2 ILE 20 5.484 1.033 1.033 118 3HG2 ILE 20 3HG2 ILE 20 5.262 2.744 2.744 119 1HD1 ILE 20 2HD1 ILE 20 5.532 -0.753 -0.753 120 2HD1 ILE 20 1HD1 ILE 20 6.371 -1.794 -1.794 121 3HD1 ILE 20 3HD1 ILE 20 5.015 -0.799 -0.799 122 H PHE 21 H PHE 21 4.902 4.083 4.083 123 HA PHE 21 HA PHE 21 4.751 5.975 5.975 124 1HB PHE 21 2HB PHE 21 2.714 5.665 5.665 125 2HB PHE 21 1HB PHE 21 3.457 5.393 5.393 126 HD1 PHE 21 HD2 PHE 21 4.472 7.426 7.426 127 HD2 PHE 21 HD1 PHE 21 1.767 7.759 7.759 128 HE1 PHE 21 HE2 PHE 21 3.957 9.760 9.760 129 HE2 PHE 21 HE1 PHE 21 1.245 10.094 10.094 130 HZ PHE 21 HZ PHE 21 2.348 11.092 11.092 131 H ASP 22 H ASP 22 6.087 6.026 6.026 132 HA ASP 22 HA ASP 22 6.953 8.830 8.830 133 1HB ASP 22 2HB ASP 22 6.139 8.137 8.137 134 2HB ASP 22 1HB ASP 22 7.080 6.643 6.643 135 H SER 23 H SER 23 8.120 5.939 5.939 136 HA SER 23 HA SER 23 10.989 6.467 6.467 137 1HB SER 23 2HB SER 23 10.292 4.178 4.178 138 2HB SER 23 1HB SER 23 9.368 4.332 4.332 139 HG SER 23 HG SER 23 11.124 3.898 3.898 140 H LEU 24 H LEU 24 8.651 7.538 7.538 141 HA LEU 24 HA LEU 24 10.533 7.912 7.912 142 1HB LEU 24 2HB LEU 24 7.612 8.568 8.568 143 2HB LEU 24 1HB LEU 24 8.625 7.875 7.875 144 HG LEU 24 HG LEU 24 7.855 6.369 6.369 145 1HD1 LEU 24 3HD1 LEU 24 5.928 7.192 7.192 146 2HD1 LEU 24 2HD1 LEU 24 6.540 5.958 5.958 147 3HD1 LEU 24 1HD1 LEU 24 5.961 5.502 5.502 148 1HD2 LEU 24 1HD2 LEU 24 9.234 5.775 5.775 149 2HD2 LEU 24 3HD2 LEU 24 9.607 5.193 5.193 150 3HD2 LEU 24 2HD2 LEU 24 8.253 4.504 4.504 151 H SER 25 H SER 25 9.172 9.456 9.456 152 HA SER 25 HA SER 25 9.519 11.720 11.720 153 1HB SER 25 2HB SER 25 9.919 12.553 12.553 154 2HB SER 25 1HB SER 25 10.632 13.229 13.229 155 HG SER 25 HG SER 25 12.074 11.630 11.630 156 HA PRO 26 HA PRO 26 5.201 11.998 11.998 157 1HB PRO 26 2HB PRO 26 4.213 12.463 12.463 158 2HB PRO 26 1HB PRO 26 4.555 10.832 10.832 159 1HG PRO 26 2HG PRO 26 6.151 12.538 12.538 160 2HG PRO 26 1HG PRO 26 5.886 10.788 10.788 161 1HD PRO 26 2HD PRO 26 8.168 11.969 11.969 162 2HD PRO 26 1HD PRO 26 7.583 10.379 10.379 163 H VAL 27 H VAL 27 4.045 13.858 13.858 164 HA VAL 27 HA VAL 27 5.275 16.420 16.420 165 HB VAL 27 HB VAL 27 3.667 15.587 15.587 166 1HG1 VAL 27 1HG1 VAL 27 4.446 18.310 18.310 167 2HG1 VAL 27 3HG1 VAL 27 4.257 18.018 18.018 168 3HG1 VAL 27 2HG1 VAL 27 2.891 17.774 17.774 169 1HG2 VAL 27 2HG2 VAL 27 6.294 15.251 15.251 170 2HG2 VAL 27 1HG2 VAL 27 5.660 15.688 15.688 171 3HG2 VAL 27 3HG2 VAL 27 6.330 16.933 16.933 172 H ASN 28 H ASN 28 4.084 17.129 17.129 173 HA ASN 28 HA ASN 28 2.185 17.671 17.671 174 1HB ASN 28 2HB ASN 28 1.078 17.858 17.858 175 2HB ASN 28 1HB ASN 28 0.303 18.545 18.545 176 1HD2 ASN 28 1HD2 ASN 28 2.757 19.040 19.040 177 2HD2 ASN 28 2HD2 ASN 28 3.374 20.495 20.495 178 H GLY 29 H GLY 29 2.725 14.840 14.840 179 1HA GLY 29 2HA GLY 29 1.639 12.817 12.817 180 2HA GLY 29 1HA GLY 29 0.118 13.708 13.708 181 H PHE 30 H PHE 30 2.272 13.874 13.874 182 HA PHE 30 HA PHE 30 0.367 12.209 12.209 183 1HB PHE 30 2HB PHE 30 1.219 15.063 15.063 184 2HB PHE 30 1HB PHE 30 0.274 14.068 14.068 185 HD1 PHE 30 HD2 PHE 30 -1.789 12.844 12.844 186 HD2 PHE 30 HD1 PHE 30 0.049 16.470 16.470 187 HE1 PHE 30 HE2 PHE 30 -3.872 13.440 13.440 188 HE2 PHE 30 HE1 PHE 30 -2.016 17.067 17.067 189 HZ PHE 30 HZ PHE 30 -3.985 15.553 15.553 190 H LEU 31 H LEU 31 1.257 11.301 11.301 191 HA LEU 31 HA LEU 31 4.180 11.805 11.805 192 1HB LEU 31 2HB LEU 31 2.573 9.226 9.226 193 2HB LEU 31 1HB LEU 31 4.211 9.359 9.359 194 HG LEU 31 HG LEU 31 3.603 10.251 10.251 195 1HD1 LEU 31 1HD1 LEU 31 4.108 7.448 7.448 196 2HD1 LEU 31 3HD1 LEU 31 4.461 7.922 7.922 197 3HD1 LEU 31 2HD1 LEU 31 2.808 8.004 8.004 198 1HD2 LEU 31 3HD2 LEU 31 6.023 9.420 9.420 199 2HD2 LEU 31 2HD2 LEU 31 5.759 10.916 10.916 200 3HD2 LEU 31 1HD2 LEU 31 6.057 9.405 9.405 201 H SER 32 H SER 32 4.621 12.310 12.310 202 HA SER 32 HA SER 32 2.383 12.742 12.742 203 1HB SER 32 2HB SER 32 5.048 12.921 12.921 204 2HB SER 32 1HB SER 32 3.852 14.187 14.187 205 HG SER 32 HG SER 32 6.007 14.105 14.105 206 H GLY 33 H GLY 33 1.863 11.593 11.593 207 1HA GLY 33 2HA GLY 33 2.344 8.834 8.834 208 2HA GLY 33 1HA GLY 33 1.917 9.817 9.817 209 H ASP 34 H ASP 34 4.352 11.522 11.522 210 HA ASP 34 HA ASP 34 6.201 9.931 9.931 211 1HB ASP 34 2HB ASP 34 6.368 12.664 12.664 212 2HB ASP 34 1HB ASP 34 7.531 12.049 12.049 213 H LYS 35 H LYS 35 5.602 10.259 10.259 214 HA LYS 35 HA LYS 35 8.390 9.640 9.640 215 1HB LYS 35 2HB LYS 35 7.528 11.343 11.343 216 2HB LYS 35 1HB LYS 35 5.873 10.796 10.796 217 1HG LYS 35 2HG LYS 35 6.035 10.030 10.030 218 2HG LYS 35 1HG LYS 35 7.040 8.739 8.739 219 1HD LYS 35 2HD LYS 35 8.128 9.954 9.954 220 2HD LYS 35 1HD LYS 35 9.043 10.043 10.043 221 1HE LYS 35 2HE LYS 35 7.233 12.236 12.236 222 2HE LYS 35 1HE LYS 35 8.008 12.217 12.217 223 1HZ LYS 35 3HZ LYS 35 9.675 11.637 11.637 224 2HZ LYS 35 2HZ LYS 35 9.207 13.254 13.254 225 3HZ LYS 35 1HZ LYS 35 10.075 12.432 12.432 226 H VAL 36 H VAL 36 5.058 8.518 8.518 227 HA VAL 36 HA VAL 36 5.735 5.964 5.964 228 HB VAL 36 HB VAL 36 3.240 7.046 7.046 229 1HG1 VAL 36 3HG1 VAL 36 3.675 4.688 4.688 230 2HG1 VAL 36 2HG1 VAL 36 2.090 5.338 5.338 231 3HG1 VAL 36 1HG1 VAL 36 3.116 4.631 4.631 232 1HG2 VAL 36 1HG2 VAL 36 4.384 7.234 7.234 233 2HG2 VAL 36 3HG2 VAL 36 3.683 8.507 8.507 234 3HG2 VAL 36 2HG2 VAL 36 2.639 7.300 7.300 235 H LYS 37 H LYS 37 4.877 7.059 7.059 236 HA LYS 37 HA LYS 37 4.325 4.789 4.789 237 1HB LYS 37 2HB LYS 37 4.518 6.867 6.867 238 2HB LYS 37 1HB LYS 37 6.190 7.088 7.088 239 1HG LYS 37 2HG LYS 37 6.021 4.612 4.612 240 2HG LYS 37 1HG LYS 37 5.227 5.854 5.854 241 1HD LYS 37 2HD LYS 37 7.972 6.189 6.189 242 2HD LYS 37 1HD LYS 37 7.701 5.664 5.664 243 1HE LYS 37 2HE LYS 37 6.933 7.750 7.750 244 2HE LYS 37 1HE LYS 37 6.343 8.171 8.171 245 1HZ LYS 37 2HZ LYS 37 8.717 8.106 8.106 246 2HZ LYS 37 1HZ LYS 37 9.164 8.006 8.006 247 3HZ LYS 37 3HZ LYS 37 8.345 9.377 9.377 248 HA PRO 38 HA PRO 38 8.942 3.440 3.440 249 1HB PRO 38 2HB PRO 38 10.618 4.488 4.488 250 2HB PRO 38 1HB PRO 38 10.423 5.195 5.195 251 1HG PRO 38 2HG PRO 38 9.180 6.006 6.006 252 2HG PRO 38 1HG PRO 38 9.849 7.015 7.015 253 1HD PRO 38 2HD PRO 38 7.202 6.646 6.646 254 2HD PRO 38 1HD PRO 38 7.952 6.835 6.835 255 H VAL 39 H VAL 39 7.502 4.286 4.286 256 HA VAL 39 HA VAL 39 8.513 1.980 1.980 257 HB VAL 39 HB VAL 39 6.496 4.193 4.193 258 1HG1 VAL 39 1HG1 VAL 39 6.788 1.677 1.677 259 2HG1 VAL 39 3HG1 VAL 39 6.337 3.186 3.186 260 3HG1 VAL 39 2HG1 VAL 39 5.320 2.524 2.524 261 1HG2 VAL 39 1HG2 VAL 39 9.141 4.178 4.178 262 2HG2 VAL 39 3HG2 VAL 39 8.056 5.080 5.080 263 3HG2 VAL 39 2HG2 VAL 39 8.658 3.497 3.497 264 H LEU 40 H LEU 40 6.095 2.442 2.442 265 HA LEU 40 HA LEU 40 4.456 0.152 0.152 266 1HB LEU 40 2HB LEU 40 4.153 2.292 2.292 267 2HB LEU 40 1HB LEU 40 3.029 0.940 0.940 268 HG LEU 40 HG LEU 40 3.674 2.898 2.898 269 1HD1 LEU 40 2HD1 LEU 40 2.343 3.822 3.822 270 2HD1 LEU 40 1HD1 LEU 40 1.130 2.582 2.582 271 3HD1 LEU 40 3HD1 LEU 40 1.467 3.815 3.815 272 1HD2 LEU 40 2HD2 LEU 40 2.060 0.391 0.391 273 2HD2 LEU 40 1HD2 LEU 40 3.011 1.012 1.012 274 3HD2 LEU 40 3HD2 LEU 40 1.427 1.705 1.705 275 H LEU 41 H LEU 41 6.988 0.974 0.974 276 HA LEU 41 HA LEU 41 6.490 -1.187 -1.187 277 1HB LEU 41 2HB LEU 41 8.801 0.725 0.725 278 2HB LEU 41 1HB LEU 41 8.596 -0.299 -0.299 279 HG LEU 41 HG LEU 41 6.356 1.516 1.516 280 1HD1 LEU 41 3HD1 LEU 41 9.009 2.417 2.417 281 2HD1 LEU 41 2HD1 LEU 41 8.030 2.814 2.814 282 3HD1 LEU 41 1HD1 LEU 41 7.548 3.387 3.387 283 1HD2 LEU 41 3HD2 LEU 41 6.426 -0.260 -0.260 284 2HD2 LEU 41 2HD2 LEU 41 5.791 1.341 1.341 285 3HD2 LEU 41 1HD2 LEU 41 7.437 0.912 0.912 286 H ASN 42 H ASN 42 8.793 -0.406 -0.406 287 HA ASN 42 HA ASN 42 10.500 -2.621 -2.621 288 1HB ASN 42 2HB ASN 42 11.008 -2.177 -2.177 289 2HB ASN 42 1HB ASN 42 10.468 -0.628 -0.628 290 1HD2 ASN 42 1HD2 ASN 42 7.730 -0.779 -0.779 291 2HD2 ASN 42 2HD2 ASN 42 7.154 -1.082 -1.082 292 H SER 43 H SER 43 7.145 -2.480 -2.480 293 HA SER 43 HA SER 43 6.793 -4.917 -4.917 294 1HB SER 43 2HB SER 43 4.737 -4.059 -4.059 295 2HB SER 43 1HB SER 43 4.588 -4.333 -4.333 296 HG SER 43 HG SER 43 4.954 -2.291 -2.291 297 H LYS 44 H LYS 44 7.775 -4.393 -4.393 298 HA LYS 44 HA LYS 44 8.315 -5.965 -5.965 299 1HB LYS 44 2HB LYS 44 8.074 -7.432 -7.432 300 2HB LYS 44 1HB LYS 44 7.109 -8.311 -8.311 301 1HG LYS 44 2HG LYS 44 9.141 -7.988 -7.988 302 2HG LYS 44 1HG LYS 44 10.040 -7.617 -7.617 303 1HD LYS 44 2HD LYS 44 9.889 -9.771 -9.771 304 2HD LYS 44 1HD LYS 44 8.336 -10.066 -10.066 305 1HE LYS 44 2HE LYS 44 9.724 -9.886 -9.886 306 2HE LYS 44 1HE LYS 44 11.103 -10.250 -10.250 307 1HZ LYS 44 1HZ LYS 44 9.235 -11.956 -11.956 308 2HZ LYS 44 3HZ LYS 44 8.870 -11.932 -11.932 309 3HZ LYS 44 2HZ LYS 44 10.428 -12.366 -12.366 310 H LEU 45 H LEU 45 5.556 -4.678 -4.678 311 HA LEU 45 HA LEU 45 3.764 -6.502 -6.502 312 1HB LEU 45 2HB LEU 45 3.513 -4.131 -4.131 313 2HB LEU 45 1HB LEU 45 2.211 -4.448 -4.448 314 HG LEU 45 HG LEU 45 3.312 -6.507 -6.507 315 1HD1 LEU 45 3HD1 LEU 45 1.882 -4.315 -4.315 316 2HD1 LEU 45 2HD1 LEU 45 0.571 -5.416 -5.416 317 3HD1 LEU 45 1HD1 LEU 45 1.746 -5.875 -5.875 318 1HD2 LEU 45 1HD2 LEU 45 2.022 -6.979 -6.979 319 2HD2 LEU 45 3HD2 LEU 45 1.749 -7.962 -7.962 320 3HD2 LEU 45 2HD2 LEU 45 0.626 -6.668 -6.668 321 HA PRO 46 HA PRO 46 4.209 -4.064 -4.064 322 1HB PRO 46 2HB PRO 46 1.766 -4.473 -4.473 323 2HB PRO 46 1HB PRO 46 3.040 -5.706 -5.706 324 1HG PRO 46 2HG PRO 46 0.586 -5.461 -5.461 325 2HG PRO 46 1HG PRO 46 1.428 -6.906 -6.906 326 1HD PRO 46 2HD PRO 46 1.583 -5.898 -5.898 327 2HD PRO 46 1HD PRO 46 2.772 -6.989 -6.989 328 H VAL 47 H VAL 47 3.472 -2.054 -2.054 329 HA VAL 47 HA VAL 47 2.578 -0.060 -0.060 330 HB VAL 47 HB VAL 47 2.763 -0.328 -0.328 331 1HG1 VAL 47 2HG1 VAL 47 0.925 1.262 1.262 332 2HG1 VAL 47 1HG1 VAL 47 2.036 2.178 2.178 333 3HG1 VAL 47 3HG1 VAL 47 2.314 2.076 2.076 334 1HG2 VAL 47 1HG2 VAL 47 4.295 1.265 1.265 335 2HG2 VAL 47 3HG2 VAL 47 4.860 -0.197 -0.197 336 3HG2 VAL 47 2HG2 VAL 47 4.622 1.286 1.286 337 H ASP 48 H ASP 48 0.735 -2.455 -2.455 338 HA ASP 48 HA ASP 48 -1.730 -0.979 -0.979 339 1HB ASP 48 2HB ASP 48 -0.730 -3.769 -3.769 340 2HB ASP 48 1HB ASP 48 -2.456 -3.560 -3.560 341 H ILE 49 H ILE 49 -0.267 -2.968 -2.968 342 HA ILE 49 HA ILE 49 -2.535 -2.962 -2.962 343 HB ILE 49 HB ILE 49 0.410 -3.134 -3.134 344 1HG1 ILE 49 2HG1 ILE 49 0.039 -4.668 -4.668 345 2HG1 ILE 49 1HG1 ILE 49 0.099 -5.606 -5.606 346 1HG2 ILE 49 2HG2 ILE 49 -1.843 -3.195 -3.195 347 2HG2 ILE 49 1HG2 ILE 49 -1.517 -4.907 -4.907 348 3HG2 ILE 49 3HG2 ILE 49 -0.274 -3.873 -3.873 349 1HD1 ILE 49 3HD1 ILE 49 -2.501 -5.242 -5.242 350 2HD1 ILE 49 2HD1 ILE 49 -2.272 -4.941 -4.941 351 3HD1 ILE 49 1HD1 ILE 49 -1.797 -6.490 -6.490 352 H LEU 50 H LEU 50 0.414 -1.035 -1.035 353 HA LEU 50 HA LEU 50 -0.070 0.755 0.755 354 1HB LEU 50 2HB LEU 50 1.343 1.304 1.304 355 2HB LEU 50 1HB LEU 50 1.679 2.055 2.055 356 HG LEU 50 HG LEU 50 2.243 -0.773 -0.773 357 1HD1 LEU 50 2HD1 LEU 50 3.760 1.623 1.623 358 2HD1 LEU 50 1HD1 LEU 50 4.280 0.424 0.424 359 3HD1 LEU 50 3HD1 LEU 50 4.333 0.044 0.044 360 1HD2 LEU 50 3HD2 LEU 50 1.562 0.226 0.226 361 2HD2 LEU 50 2HD2 LEU 50 1.510 -1.418 -1.418 362 3HD2 LEU 50 1HD2 LEU 50 3.039 -0.731 -0.731 363 H GLY 51 H GLY 51 -1.484 0.469 0.469 364 1HA GLY 51 2HA GLY 51 -2.497 3.239 3.239 365 2HA GLY 51 1HA GLY 51 -2.863 1.994 1.994 366 H ARG 52 H ARG 52 -3.515 0.013 0.013 367 HA ARG 52 HA ARG 52 -6.289 0.901 0.901 368 1HB ARG 52 2HB ARG 52 -4.942 -1.493 -1.493 369 2HB ARG 52 1HB ARG 52 -5.697 -1.776 -1.776 370 1HG ARG 52 2HG ARG 52 -7.790 -0.662 -0.662 371 2HG ARG 52 1HG ARG 52 -6.999 -0.962 -0.962 372 1HD ARG 52 2HD ARG 52 -6.891 -3.328 -3.328 373 2HD ARG 52 1HD ARG 52 -8.562 -2.795 -2.795 374 HE ARG 52 HE ARG 52 -7.698 -2.584 -2.584 375 1HH1 ARG 52 1HH2 ARG 52 -8.462 -5.262 -5.262 376 2HH1 ARG 52 2HH2 ARG 52 -7.429 -6.362 -6.362 377 1HH2 ARG 52 2HH1 ARG 52 -5.662 -3.861 -3.861 378 2HH2 ARG 52 1HH1 ARG 52 -5.844 -5.569 -5.569 379 H VAL 53 H VAL 53 -3.740 -0.844 -0.844 380 HA VAL 53 HA VAL 53 -4.810 -0.677 -0.677 381 HB VAL 53 HB VAL 53 -2.025 -0.530 -0.530 382 1HG1 VAL 53 3HG1 VAL 53 -2.117 0.784 0.784 383 2HG1 VAL 53 2HG1 VAL 53 -2.633 -0.703 -0.703 384 3HG1 VAL 53 1HG1 VAL 53 -1.047 -0.617 -0.617 385 1HG2 VAL 53 2HG2 VAL 53 -3.522 -2.617 -2.617 386 2HG2 VAL 53 1HG2 VAL 53 -1.892 -2.779 -2.779 387 3HG2 VAL 53 3HG2 VAL 53 -3.271 -2.585 -2.585 388 H TRP 54 H TRP 54 -2.773 1.774 1.774 389 HA TRP 54 HA TRP 54 -2.842 3.739 3.739 390 1HB TRP 54 2HB TRP 54 -1.376 3.886 3.886 391 2HB TRP 54 1HB TRP 54 -2.759 3.935 3.935 392 HD1 TRP 54 HD1 TRP 54 -4.368 6.110 6.110 393 HE1 TRP 54 HE1 TRP 54 -3.825 8.534 8.534 394 HE3 TRP 54 HE3 TRP 54 0.111 5.387 5.387 395 HZ2 TRP 54 HZ2 TRP 54 -1.751 9.981 9.981 396 HZ3 TRP 54 HZ3 TRP 54 1.353 7.302 7.302 397 HH2 TRP 54 HH2 TRP 54 0.426 9.598 9.598 398 H GLU 55 H GLU 55 -4.913 3.625 3.625 399 HA GLU 55 HA GLU 55 -6.696 5.665 5.665 400 1HB GLU 55 2HB GLU 55 -7.140 2.888 2.888 401 2HB GLU 55 1HB GLU 55 -8.370 4.149 4.149 402 1HG GLU 55 2HG GLU 55 -5.572 4.598 4.598 403 2HG GLU 55 1HG GLU 55 -6.849 3.920 3.920 404 H LEU 56 H LEU 56 -7.247 2.279 2.279 405 HA LEU 56 HA LEU 56 -9.417 2.961 2.961 406 1HB LEU 56 2HB LEU 56 -7.603 0.526 0.526 407 2HB LEU 56 1HB LEU 56 -9.170 0.587 0.587 408 HG LEU 56 HG LEU 56 -9.166 1.481 1.481 409 1HD1 LEU 56 1HD1 LEU 56 -7.617 -0.681 -0.681 410 2HD1 LEU 56 3HD1 LEU 56 -9.194 -1.470 -1.470 411 3HD1 LEU 56 2HD1 LEU 56 -8.641 -0.511 -0.511 412 1HD2 LEU 56 2HD2 LEU 56 -10.998 0.531 0.531 413 2HD2 LEU 56 1HD2 LEU 56 -11.367 1.054 1.054 414 3HD2 LEU 56 3HD2 LEU 56 -11.007 -0.642 -0.642 415 H SER 57 H SER 57 -6.030 3.277 3.277 416 HA SER 57 HA SER 57 -5.973 3.073 3.073 417 1HB SER 57 2HB SER 57 -3.957 3.394 3.394 418 2HB SER 57 1HB SER 57 -3.499 3.586 3.586 419 HG SER 57 HG SER 57 -4.517 1.318 1.318 420 H ASP 58 H ASP 58 -5.921 5.460 5.460 421 HA ASP 58 HA ASP 58 -5.148 7.648 7.648 422 1HB ASP 58 2HB ASP 58 -4.626 7.254 7.254 423 2HB ASP 58 1HB ASP 58 -6.222 7.972 7.972 424 H ILE 59 H ILE 59 -6.999 7.338 7.338 425 HA ILE 59 HA ILE 59 -9.699 7.339 7.339 426 HB ILE 59 HB ILE 59 -8.149 8.946 8.946 427 1HG1 ILE 59 2HG1 ILE 59 -7.732 6.456 6.456 428 2HG1 ILE 59 1HG1 ILE 59 -8.436 7.006 7.006 429 1HG2 ILE 59 1HG2 ILE 59 -11.048 8.055 8.055 430 2HG2 ILE 59 3HG2 ILE 59 -10.230 8.824 8.824 431 3HG2 ILE 59 2HG2 ILE 59 -10.475 9.717 9.717 432 1HD1 ILE 59 1HD1 ILE 59 -10.078 5.931 5.931 433 2HD1 ILE 59 3HD1 ILE 59 -9.502 4.929 4.929 434 3HD1 ILE 59 2HD1 ILE 59 -10.625 6.252 6.252 435 H ASP 60 H ASP 60 -7.480 10.080 10.080 436 HA ASP 60 HA ASP 60 -9.786 11.805 11.805 437 1HB ASP 60 2HB ASP 60 -8.402 13.629 13.629 438 2HB ASP 60 1HB ASP 60 -8.066 12.396 12.396 439 H HIS 61 H HIS 61 -7.119 10.058 10.058 440 HA HIS 61 HA HIS 61 -6.267 9.939 9.939 441 1HB HIS 61 2HB HIS 61 -8.785 11.451 11.451 442 2HB HIS 61 1HB HIS 61 -7.936 10.234 10.234 443 HD1 HIS 61 HD1 HIS 61 -8.197 7.732 7.732 444 HD2 HIS 61 HD2 HIS 61 -10.536 10.416 10.416 445 HE1 HIS 61 HE1 HIS 61 -9.880 6.341 6.341 446 H ASP 62 H ASP 62 -5.391 12.164 12.164 447 HA ASP 62 HA ASP 62 -5.422 14.471 14.471 448 1HB ASP 62 2HB ASP 62 -4.898 15.746 15.746 449 2HB ASP 62 1HB ASP 62 -5.937 14.472 14.472 450 H GLY 63 H GLY 63 -3.735 11.785 11.785 451 1HA GLY 63 2HA GLY 63 -1.626 11.329 11.329 452 2HA GLY 63 1HA GLY 63 -1.277 13.061 13.061 453 H MET 64 H MET 64 -2.483 11.834 11.834 454 HA MET 64 HA MET 64 0.218 11.344 11.344 455 1HB MET 64 2HB MET 64 -1.579 13.668 13.668 456 2HB MET 64 1HB MET 64 -0.861 13.012 13.012 457 1HG MET 64 2HG MET 64 1.361 13.227 13.227 458 2HG MET 64 1HG MET 64 0.708 13.711 13.711 459 1HE MET 64 2HE MET 64 2.801 15.139 15.139 460 2HE MET 64 1HE MET 64 2.598 16.713 16.713 461 3HE MET 64 3HE MET 64 2.705 15.247 15.247 462 H LEU 65 H LEU 65 0.062 10.385 10.385 463 HA LEU 65 HA LEU 65 -2.631 9.185 9.185 464 1HB LEU 65 2HB LEU 65 0.156 7.970 7.970 465 2HB LEU 65 1HB LEU 65 -1.253 7.171 7.171 466 HG LEU 65 HG LEU 65 -1.261 8.142 8.142 467 1HD1 LEU 65 3HD1 LEU 65 0.172 5.837 5.837 468 2HD1 LEU 65 2HD1 LEU 65 -0.828 5.457 5.457 469 3HD1 LEU 65 1HD1 LEU 65 0.451 6.664 6.664 470 1HD2 LEU 65 1HD2 LEU 65 -3.376 7.451 7.451 471 2HD2 LEU 65 3HD2 LEU 65 -3.048 6.544 6.544 472 3HD2 LEU 65 2HD2 LEU 65 -2.693 5.828 5.828 473 H ASP 66 H ASP 66 -3.233 9.979 9.979 474 HA ASP 66 HA ASP 66 -1.364 11.215 11.215 475 1HB ASP 66 2HB ASP 66 -3.922 11.516 11.516 476 2HB ASP 66 1HB ASP 66 -4.070 10.122 10.122 477 H ARG 67 H ARG 67 -1.098 10.413 10.413 478 HA ARG 67 HA ARG 67 0.226 7.995 7.995 479 1HB ARG 67 2HB ARG 67 0.396 9.304 9.304 480 2HB ARG 67 1HB ARG 67 -1.288 9.819 9.819 481 1HG ARG 67 2HG ARG 67 -2.033 7.661 7.661 482 2HG ARG 67 1HG ARG 67 -0.377 7.055 7.055 483 1HD ARG 67 2HD ARG 67 -1.402 9.381 9.381 484 2HD ARG 67 1HD ARG 67 -0.972 7.768 7.768 485 HE ARG 67 HE ARG 67 1.331 8.354 8.354 486 1HH1 ARG 67 1HH2 ARG 67 -0.404 9.814 9.814 487 2HH1 ARG 67 2HH2 ARG 67 0.675 11.157 11.157 488 1HH2 ARG 67 2HH1 ARG 67 2.573 10.368 10.368 489 2HH2 ARG 67 1HH1 ARG 67 2.358 11.469 11.469 490 H ASP 68 H ASP 68 -3.260 8.510 8.510 491 HA ASP 68 HA ASP 68 -3.771 5.669 5.669 492 1HB ASP 68 2HB ASP 68 -5.746 7.855 7.855 493 2HB ASP 68 1HB ASP 68 -6.028 6.417 6.417 494 H GLU 69 H GLU 69 -3.769 7.846 7.846 495 HA GLU 69 HA GLU 69 -5.308 6.146 6.146 496 1HB GLU 69 2HB GLU 69 -4.523 8.754 8.754 497 2HB GLU 69 1HB GLU 69 -3.344 8.104 8.104 498 1HG GLU 69 2HG GLU 69 -4.989 7.435 7.435 499 2HG GLU 69 1HG GLU 69 -6.255 7.443 7.443 500 H PHE 70 H PHE 70 -1.874 6.742 6.742 501 HA PHE 70 HA PHE 70 -0.832 5.085 5.085 502 1HB PHE 70 2HB PHE 70 0.341 6.881 6.881 503 2HB PHE 70 1HB PHE 70 0.356 5.765 5.765 504 HD1 PHE 70 HD2 PHE 70 1.393 3.434 3.434 505 HD2 PHE 70 HD1 PHE 70 2.034 6.783 6.783 506 HE1 PHE 70 HE2 PHE 70 3.414 2.335 2.335 507 HE2 PHE 70 HE1 PHE 70 4.056 5.682 5.682 508 HZ PHE 70 HZ PHE 70 4.742 3.460 3.460 509 H ALA 71 H ALA 71 -2.338 4.430 4.430 510 HA ALA 71 HA ALA 71 -1.132 1.826 1.826 511 1HB ALA 71 2HB ALA 71 -2.425 3.560 3.560 512 2HB ALA 71 1HB ALA 71 -3.849 2.686 2.686 513 3HB ALA 71 3HB ALA 71 -2.583 1.832 1.832 514 H VAL 72 H VAL 72 -4.165 2.978 2.978 515 HA VAL 72 HA VAL 72 -5.334 0.440 0.440 516 HB VAL 72 HB VAL 72 -5.495 3.080 3.080 517 1HG1 VAL 72 1HG1 VAL 72 -6.605 0.574 0.574 518 2HG1 VAL 72 3HG1 VAL 72 -7.919 1.498 1.498 519 3HG1 VAL 72 2HG1 VAL 72 -7.062 2.139 2.139 520 1HG2 VAL 72 1HG2 VAL 72 -5.971 3.119 3.119 521 2HG2 VAL 72 3HG2 VAL 72 -7.324 3.621 3.621 522 3HG2 VAL 72 2HG2 VAL 72 -7.302 2.004 2.004 523 H ALA 73 H ALA 73 -2.785 2.239 2.239 524 HA ALA 73 HA ALA 73 -2.844 0.530 0.530 525 1HB ALA 73 2HB ALA 73 -2.038 3.138 3.138 526 2HB ALA 73 1HB ALA 73 -0.559 2.281 2.281 527 3HB ALA 73 3HB ALA 73 -1.901 2.385 2.385 528 H MET 74 H MET 74 -1.550 0.244 0.244 529 HA MET 74 HA MET 74 0.997 -1.020 -1.020 530 1HB MET 74 2HB MET 74 -0.474 -0.375 -0.375 531 2HB MET 74 1HB MET 74 0.883 -1.503 -1.503 532 1HG MET 74 2HG MET 74 1.204 1.128 1.128 533 2HG MET 74 1HG MET 74 1.317 1.069 1.069 534 1HE MET 74 1HE MET 74 2.467 0.707 0.707 535 2HE MET 74 3HE MET 74 4.222 0.751 0.751 536 3HE MET 74 2HE MET 74 3.413 -0.772 -0.772 537 H PHE 75 H PHE 75 -2.069 -2.049 -2.049 538 HA PHE 75 HA PHE 75 -1.320 -4.867 -4.867 539 1HB PHE 75 2HB PHE 75 -3.338 -5.181 -5.181 540 2HB PHE 75 1HB PHE 75 -2.940 -3.523 -3.523 541 HD1 PHE 75 HD1 PHE 75 -4.908 -5.567 -5.567 542 HD2 PHE 75 HD2 PHE 75 -4.369 -1.739 -1.739 543 HE1 PHE 75 HE1 PHE 75 -7.035 -4.780 -4.780 544 HE2 PHE 75 HE2 PHE 75 -6.486 -0.953 -0.953 545 HZ PHE 75 HZ PHE 75 -7.827 -2.473 -2.473 546 H LEU 76 H LEU 76 -2.868 -2.513 -2.513 547 HA LEU 76 HA LEU 76 -4.195 -4.353 -4.353 548 1HB LEU 76 2HB LEU 76 -3.497 -1.472 -1.472 549 2HB LEU 76 1HB LEU 76 -3.738 -2.089 -2.089 550 HG LEU 76 HG LEU 76 -5.701 -2.411 -2.411 551 1HD1 LEU 76 3HD1 LEU 76 -5.210 -0.114 -0.114 552 2HD1 LEU 76 2HD1 LEU 76 -6.426 -0.872 -0.872 553 3HD1 LEU 76 1HD1 LEU 76 -6.783 -0.542 -0.542 554 1HD2 LEU 76 3HD2 LEU 76 -5.564 -3.397 -3.397 555 2HD2 LEU 76 2HD2 LEU 76 -6.162 -4.220 -4.220 556 3HD2 LEU 76 1HD2 LEU 76 -7.141 -2.975 -2.975 557 H VAL 77 H VAL 77 -0.961 -3.161 -3.161 558 HA VAL 77 HA VAL 77 -0.036 -4.113 -4.113 559 HB VAL 77 HB VAL 77 1.234 -2.710 -2.710 560 1HG1 VAL 77 1HG1 VAL 77 2.445 -3.702 -3.702 561 2HG1 VAL 77 3HG1 VAL 77 3.157 -2.368 -2.368 562 3HG1 VAL 77 2HG1 VAL 77 3.031 -3.969 -3.969 563 1HG2 VAL 77 3HG2 VAL 77 -0.382 -1.486 -1.486 564 2HG2 VAL 77 2HG2 VAL 77 1.232 -0.782 -0.782 565 3HG2 VAL 77 1HG2 VAL 77 0.775 -1.748 -1.748 566 H TYR 78 H TYR 78 0.997 -4.579 -4.579 567 HA TYR 78 HA TYR 78 2.600 -6.820 -6.820 568 1HB TYR 78 2HB TYR 78 0.954 -5.563 -5.563 569 2HB TYR 78 1HB TYR 78 1.330 -7.261 -7.261 570 HD1 TYR 78 HD2 TYR 78 3.929 -7.720 -7.720 571 HD2 TYR 78 HD1 TYR 78 2.427 -4.189 -4.189 572 HE1 TYR 78 HE2 TYR 78 6.240 -7.089 -7.089 573 HE2 TYR 78 HE1 TYR 78 4.732 -3.558 -3.558 574 HH TYR 78 HH TYR 78 6.950 -4.853 -4.853 575 H CYS 79 H CYS 79 -0.870 -6.695 -6.695 576 HA CYS 79 HA CYS 79 -1.200 -9.603 -9.603 577 1HB CYS 79 2HB CYS 79 -2.891 -7.189 -7.189 578 2HB CYS 79 1HB CYS 79 -3.551 -8.763 -8.763 579 HG CYS 79 HG CYS 79 -3.422 -9.506 -9.506 580 H ALA 80 H ALA 80 -0.362 -7.442 -7.442 581 HA ALA 80 HA ALA 80 -1.366 -9.211 -9.211 582 1HB ALA 80 2HB ALA 80 0.003 -6.542 -6.542 583 2HB ALA 80 1HB ALA 80 -0.029 -7.370 -7.370 584 3HB ALA 80 3HB ALA 80 -1.540 -6.930 -6.930 585 H LEU 81 H LEU 81 1.355 -8.960 -8.960 586 HA LEU 81 HA LEU 81 3.290 -10.018 -10.018 587 1HB LEU 81 2HB LEU 81 3.315 -9.371 -9.371 588 2HB LEU 81 1HB LEU 81 4.710 -10.064 -10.064 589 HG LEU 81 HG LEU 81 4.432 -8.127 -8.127 590 1HD1 LEU 81 1HD1 LEU 81 2.639 -7.287 -7.287 591 2HD1 LEU 81 3HD1 LEU 81 3.407 -6.102 -6.102 592 3HD1 LEU 81 2HD1 LEU 81 2.296 -7.299 -7.299 593 1HD2 LEU 81 2HD2 LEU 81 6.167 -8.386 -8.386 594 2HD2 LEU 81 1HD2 LEU 81 5.886 -6.751 -6.751 595 3HD2 LEU 81 3HD2 LEU 81 5.153 -7.275 -7.275 596 H GLU 82 H GLU 82 1.558 -11.078 -11.078 597 HA GLU 82 HA GLU 82 2.594 -13.777 -13.777 598 1HB GLU 82 2HB GLU 82 0.368 -12.293 -12.293 599 2HB GLU 82 1HB GLU 82 0.526 -14.039 -14.039 600 1HG GLU 82 2HG GLU 82 2.865 -13.731 -13.731 601 2HG GLU 82 1HG GLU 82 2.671 -11.984 -11.984 602 H LYS 83 H LYS 83 -0.617 -12.417 -12.417 603 HA LYS 83 HA LYS 83 -0.968 -13.964 -13.964 604 1HB LYS 83 2HB LYS 83 -0.890 -15.658 -15.658 605 2HB LYS 83 1HB LYS 83 -2.536 -15.109 -15.109 606 1HG LYS 83 2HG LYS 83 -3.231 -16.546 -16.546 607 2HG LYS 83 1HG LYS 83 -2.388 -15.551 -15.551 608 1HD LYS 83 2HD LYS 83 -0.457 -17.171 -17.171 609 2HD LYS 83 1HD LYS 83 -1.765 -18.210 -18.210 610 1HE LYS 83 2HE LYS 83 -0.325 -16.182 -16.182 611 2HE LYS 83 1HE LYS 83 0.016 -17.925 -17.925 612 1HZ LYS 83 1HZ LYS 83 -2.513 -18.147 -18.147 613 2HZ LYS 83 3HZ LYS 83 -2.461 -16.535 -16.535 614 3HZ LYS 83 2HZ LYS 83 -1.591 -17.729 -17.729 615 H GLU 84 H GLU 84 -2.428 -12.255 -12.255 616 HA GLU 84 HA GLU 84 -5.092 -12.021 -12.021 617 1HB GLU 84 2HB GLU 84 -3.368 -10.595 -10.595 618 2HB GLU 84 1HB GLU 84 -4.965 -9.953 -9.953 619 1HG GLU 84 2HG GLU 84 -5.420 -11.395 -11.395 620 2HG GLU 84 1HG GLU 84 -5.772 -12.405 -12.405 621 HA PRO 85 HA PRO 85 -3.919 -9.110 -9.110 622 1HB PRO 85 2HB PRO 85 -6.307 -9.238 -9.238 623 2HB PRO 85 1HB PRO 85 -5.048 -10.476 -10.476 624 1HG PRO 85 2HG PRO 85 -7.548 -10.529 -10.529 625 2HG PRO 85 1HG PRO 85 -6.751 -11.831 -11.831 626 1HD PRO 85 2HD PRO 85 -6.603 -11.511 -11.511 627 2HD PRO 85 1HD PRO 85 -5.387 -12.364 -12.364 628 H VAL 86 H VAL 86 -5.473 -7.182 -7.182 629 HA VAL 86 HA VAL 86 -6.907 -5.949 -5.949 630 HB VAL 86 HB VAL 86 -4.838 -4.783 -4.783 631 1HG1 VAL 86 2HG1 VAL 86 -6.914 -3.502 -3.502 632 2HG1 VAL 86 1HG1 VAL 86 -5.294 -2.808 -2.808 633 3HG1 VAL 86 3HG1 VAL 86 -6.137 -2.907 -2.907 634 1HG2 VAL 86 3HG2 VAL 86 -4.455 -6.171 -6.171 635 2HG2 VAL 86 2HG2 VAL 86 -3.388 -4.871 -4.871 636 3HG2 VAL 86 1HG2 VAL 86 -4.654 -4.545 -4.545 637 HA PRO 87 HA PRO 87 -9.856 -5.448 -5.448 638 1HB PRO 87 2HB PRO 87 -11.946 -4.698 -4.698 639 2HB PRO 87 1HB PRO 87 -11.421 -6.384 -6.384 640 1HG PRO 87 2HG PRO 87 -11.019 -4.496 -4.496 641 2HG PRO 87 1HG PRO 87 -11.135 -6.260 -6.260 642 1HD PRO 87 2HD PRO 87 -8.784 -4.740 -4.740 643 2HD PRO 87 1HD PRO 87 -8.891 -6.489 -6.489 644 H MET 88 H MET 88 -11.768 -3.467 -3.467 645 HA MET 88 HA MET 88 -10.152 -0.942 -0.942 646 1HB MET 88 2HB MET 88 -12.287 -1.799 -1.799 647 2HB MET 88 1HB MET 88 -11.560 -0.194 -0.194 648 1HG MET 88 2HG MET 88 -9.313 -1.329 -1.329 649 2HG MET 88 1HG MET 88 -10.187 -2.822 -2.822 650 1HE MET 88 1HE MET 88 -11.992 -3.036 -3.036 651 2HE MET 88 3HE MET 88 -12.310 -2.219 -2.219 652 3HE MET 88 2HE MET 88 -10.954 -3.334 -3.334 653 H SER 89 H SER 89 -12.400 -2.405 -2.405 654 HA SER 89 HA SER 89 -14.221 -0.029 -0.029 655 1HB SER 89 2HB SER 89 -14.602 -2.949 -2.949 656 2HB SER 89 1HB SER 89 -15.788 -1.727 -1.727 657 HG SER 89 HG SER 89 -16.327 -2.496 -2.496 658 H LEU 90 H LEU 90 -13.129 1.165 1.165 659 HA LEU 90 HA LEU 90 -12.013 0.276 0.276 660 1HB LEU 90 2HB LEU 90 -12.594 2.682 2.682 661 2HB LEU 90 1HB LEU 90 -13.334 2.845 2.845 662 HG LEU 90 HG LEU 90 -10.462 2.017 2.017 663 1HD1 LEU 90 2HD1 LEU 90 -11.605 4.566 4.566 664 2HD1 LEU 90 1HD1 LEU 90 -10.914 4.512 4.512 665 3HD1 LEU 90 3HD1 LEU 90 -9.893 4.205 4.205 666 1HD2 LEU 90 1HD2 LEU 90 -11.890 1.321 1.321 667 2HD2 LEU 90 3HD2 LEU 90 -10.223 1.871 1.871 668 3HD2 LEU 90 2HD2 LEU 90 -11.556 2.984 2.984 669 HA PRO 91 HA PRO 91 -16.058 -0.895 -0.895 670 1HB PRO 91 2HB PRO 91 -15.085 -2.498 -2.498 671 2HB PRO 91 1HB PRO 91 -15.251 -3.045 -3.045 672 1HG PRO 91 2HG PRO 91 -12.837 -2.168 -2.168 673 2HG PRO 91 1HG PRO 91 -13.011 -3.424 -3.424 674 1HD PRO 91 2HD PRO 91 -11.974 -0.915 -0.915 675 2HD PRO 91 1HD PRO 91 -12.692 -1.956 -1.956 676 HA PRO 92 HA PRO 92 -16.241 1.835 1.835 677 1HB PRO 92 2HB PRO 92 -17.991 0.607 0.607 678 2HB PRO 92 1HB PRO 92 -18.498 1.364 1.364 679 1HG PRO 92 2HG PRO 92 -18.052 -1.507 -1.507 680 2HG PRO 92 1HG PRO 92 -19.283 -0.755 -0.755 681 1HD PRO 92 2HD PRO 92 -17.047 -1.996 -1.996 682 2HD PRO 92 1HD PRO 92 -17.915 -0.704 -0.704 683 H ALA 93 H ALA 93 -15.057 -1.340 -1.340 684 HA ALA 93 HA ALA 93 -14.333 -0.925 -0.925 685 1HB ALA 93 3HB ALA 93 -14.982 -3.103 -3.103 686 2HB ALA 93 2HB ALA 93 -13.273 -3.098 -3.098 687 3HB ALA 93 1HB ALA 93 -13.746 -3.190 -3.190 688 H LEU 94 H LEU 94 -13.222 0.455 0.455 689 HA LEU 94 HA LEU 94 -10.334 0.205 0.205 690 1HB LEU 94 2HB LEU 94 -11.887 0.375 0.375 691 2HB LEU 94 1HB LEU 94 -10.457 1.404 1.404 692 HG LEU 94 HG LEU 94 -9.787 -0.727 -0.727 693 1HD1 LEU 94 2HD1 LEU 94 -8.751 0.341 0.341 694 2HD1 LEU 94 1HD1 LEU 94 -8.691 -1.416 -1.416 695 3HD1 LEU 94 3HD1 LEU 94 -7.900 -0.604 -0.604 696 1HD2 LEU 94 1HD2 LEU 94 -11.710 -1.683 -1.683 697 2HD2 LEU 94 3HD2 LEU 94 -11.038 -2.513 -2.513 698 3HD2 LEU 94 2HD2 LEU 94 -10.182 -2.559 -2.559 699 H VAL 95 H VAL 95 -12.861 2.196 2.196 700 HA VAL 95 HA VAL 95 -11.187 4.669 4.669 701 HB VAL 95 HB VAL 95 -13.180 4.576 4.576 702 1HG1 VAL 95 1HG1 VAL 95 -14.310 3.320 3.320 703 2HG1 VAL 95 3HG1 VAL 95 -15.194 4.831 4.831 704 3HG1 VAL 95 2HG1 VAL 95 -15.104 3.666 3.666 705 1HG2 VAL 95 1HG2 VAL 95 -13.029 6.511 6.511 706 2HG2 VAL 95 3HG2 VAL 95 -12.775 6.796 6.796 707 3HG2 VAL 95 2HG2 VAL 95 -14.411 6.601 6.601 708 HA PRO 96 HA PRO 96 -11.451 4.565 4.565 709 1HB PRO 96 2HB PRO 96 -10.049 6.884 6.884 710 2HB PRO 96 1HB PRO 96 -9.266 5.339 5.339 711 1HG PRO 96 2HG PRO 96 -9.894 7.649 7.649 712 2HG PRO 96 1HG PRO 96 -8.457 6.614 6.614 713 1HD PRO 96 2HD PRO 96 -10.439 6.331 6.331 714 2HD PRO 96 1HD PRO 96 -9.442 4.974 4.974 715 HA PRO 97 HA PRO 97 -14.788 7.334 7.334 716 1HB PRO 97 2HB PRO 97 -14.529 7.749 7.749 717 2HB PRO 97 1HB PRO 97 -15.104 6.217 6.217 718 1HG PRO 97 2HG PRO 97 -12.418 6.926 6.926 719 2HG PRO 97 1HG PRO 97 -13.317 5.406 5.406 720 1HD PRO 97 2HD PRO 97 -11.261 5.830 5.830 721 2HD PRO 97 1HD PRO 97 -12.563 4.649 4.649 722 H SER 98 H SER 98 -11.614 8.338 8.338 723 HA SER 98 HA SER 98 -11.933 10.960 10.960 724 1HB SER 98 2HB SER 98 -9.658 11.100 11.100 725 2HB SER 98 1HB SER 98 -9.853 9.355 9.355 726 HG SER 98 HG SER 98 -9.549 9.472 9.472 727 H LYS 99 H LYS 99 -12.294 9.623 9.623 728 HA LYS 99 HA LYS 99 -12.504 12.304 12.304 729 1HB LYS 99 2HB LYS 99 -12.927 9.502 9.502 730 2HB LYS 99 1HB LYS 99 -12.734 10.973 10.973 731 1HG LYS 99 2HG LYS 99 -10.570 10.700 10.700 732 2HG LYS 99 1HG LYS 99 -10.682 9.270 9.270 733 1HD LYS 99 2HD LYS 99 -10.662 10.702 10.702 734 2HD LYS 99 1HD LYS 99 -10.555 12.136 12.136 735 1HE LYS 99 2HE LYS 99 -8.488 9.936 9.936 736 2HE LYS 99 1HE LYS 99 -8.298 11.669 11.669 737 1HZ LYS 99 2HZ LYS 99 -9.047 11.920 11.920 738 2HZ LYS 99 1HZ LYS 99 -8.534 10.308 10.308 739 3HZ LYS 99 3HZ LYS 99 -7.433 11.503 11.503 740 H ARG 100 H ARG 100 -14.478 10.640 10.640 741 HA ARG 100 HA ARG 100 -16.967 11.202 11.202 742 1HB ARG 100 2HB ARG 100 -16.697 9.539 9.539 743 2HB ARG 100 1HB ARG 100 -17.957 9.456 9.456 744 1HG ARG 100 2HG ARG 100 -16.056 8.816 8.816 745 2HG ARG 100 1HG ARG 100 -15.099 8.510 8.510 746 1HD ARG 100 2HD ARG 100 -16.424 6.706 6.706 747 2HD ARG 100 1HD ARG 100 -17.846 7.303 7.303 748 HE ARG 100 HE ARG 100 -15.430 6.137 6.137 749 1HH1 ARG 100 1HH2 ARG 100 -17.284 7.996 7.996 750 2HH1 ARG 100 2HH2 ARG 100 -18.320 6.847 6.847 751 1HH2 ARG 100 2HH1 ARG 100 -17.407 4.219 4.219 752 2HH2 ARG 100 1HH1 ARG 100 -18.389 4.710 4.710 Start of MODEL 15 1 HA PRO 6 HA PRO 6 -14.292 -1.522 -1.522 2 1HB PRO 6 2HB PRO 6 -12.325 -3.391 -3.391 3 2HB PRO 6 1HB PRO 6 -13.484 -3.434 -3.434 4 1HG PRO 6 2HG PRO 6 -13.408 -5.048 -5.048 5 2HG PRO 6 1HG PRO 6 -13.954 -5.492 -5.492 6 1HD PRO 6 2HD PRO 6 -15.615 -4.843 -4.843 7 2HD PRO 6 1HD PRO 6 -16.078 -4.801 -4.801 8 H TRP 7 H TRP 7 -11.762 -1.518 -1.518 9 HA TRP 7 HA TRP 7 -12.153 -0.585 -0.585 10 1HB TRP 7 2HB TRP 7 -11.188 0.965 0.965 11 2HB TRP 7 1HB TRP 7 -9.984 -0.228 -0.228 12 HD1 TRP 7 HD1 TRP 7 -10.930 0.391 0.391 13 HE1 TRP 7 HE1 TRP 7 -8.865 1.307 1.307 14 HE3 TRP 7 HE3 TRP 7 -7.742 1.022 1.022 15 HZ2 TRP 7 HZ2 TRP 7 -6.210 2.192 2.192 16 HZ3 TRP 7 HZ3 TRP 7 -5.452 1.902 1.902 17 HH2 TRP 7 HH2 TRP 7 -4.684 2.487 2.487 18 H ALA 8 H ALA 8 -11.262 -1.699 -1.699 19 HA ALA 8 HA ALA 8 -10.421 -4.309 -4.309 20 1HB ALA 8 1HB ALA 8 -9.671 -1.895 -1.895 21 2HB ALA 8 3HB ALA 8 -8.977 -3.470 -3.470 22 3HB ALA 8 2HB ALA 8 -10.725 -3.241 -3.241 23 H VAL 9 H VAL 9 -8.407 -1.513 -1.513 24 HA VAL 9 HA VAL 9 -6.109 -3.362 -3.362 25 HB VAL 9 HB VAL 9 -6.363 -0.386 -0.386 26 1HG1 VAL 9 3HG1 VAL 9 -4.518 -1.283 -1.283 27 2HG1 VAL 9 2HG1 VAL 9 -3.712 -1.762 -1.762 28 3HG1 VAL 9 1HG1 VAL 9 -4.119 -0.070 -0.070 29 1HG2 VAL 9 1HG2 VAL 9 -5.833 -2.773 -2.773 30 2HG2 VAL 9 3HG2 VAL 9 -6.225 -1.138 -1.138 31 3HG2 VAL 9 2HG2 VAL 9 -4.554 -1.570 -1.570 32 H LYS 10 H LYS 10 -5.218 -3.469 -3.469 33 HA LYS 10 HA LYS 10 -6.773 -2.174 -2.174 34 1HB LYS 10 2HB LYS 10 -5.514 -4.706 -4.706 35 2HB LYS 10 1HB LYS 10 -4.783 -4.002 -4.002 36 1HG LYS 10 2HG LYS 10 -7.405 -3.473 -3.473 37 2HG LYS 10 1HG LYS 10 -7.550 -4.972 -4.972 38 1HD LYS 10 2HD LYS 10 -5.539 -5.679 -5.679 39 2HD LYS 10 1HD LYS 10 -6.339 -4.497 -4.497 40 1HE LYS 10 2HE LYS 10 -8.458 -5.979 -5.979 41 2HE LYS 10 1HE LYS 10 -7.208 -7.194 -7.194 42 1HZ LYS 10 3HZ LYS 10 -7.648 -5.041 -5.041 43 2HZ LYS 10 2HZ LYS 10 -8.757 -6.327 -6.327 44 3HZ LYS 10 1HZ LYS 10 -7.112 -6.630 -6.630 45 HA PRO 11 HA PRO 11 -3.453 0.371 0.371 46 1HB PRO 11 2HB PRO 11 -2.849 -0.407 -0.407 47 2HB PRO 11 1HB PRO 11 -4.326 0.485 0.485 48 1HG PRO 11 2HG PRO 11 -3.948 -2.428 -2.428 49 2HG PRO 11 1HG PRO 11 -5.278 -1.364 -1.364 50 1HD PRO 11 2HD PRO 11 -5.448 -3.058 -3.058 51 2HD PRO 11 1HD PRO 11 -6.326 -1.517 -1.517 52 H GLU 12 H GLU 12 -2.873 -3.058 -3.058 53 HA GLU 12 HA GLU 12 0.003 -2.892 -2.892 54 1HB GLU 12 2HB GLU 12 -0.183 -5.345 -5.345 55 2HB GLU 12 1HB GLU 12 -1.417 -4.742 -4.742 56 1HG GLU 12 2HG GLU 12 -3.116 -4.866 -4.866 57 2HG GLU 12 1HG GLU 12 -1.919 -5.184 -5.184 58 H ASP 13 H ASP 13 -2.267 -3.047 -3.047 59 HA ASP 13 HA ASP 13 -0.201 -3.738 -3.738 60 1HB ASP 13 2HB ASP 13 -3.111 -2.882 -2.882 61 2HB ASP 13 1HB ASP 13 -2.141 -3.519 -3.519 62 H LYS 14 H LYS 14 -2.091 -0.930 -0.930 63 HA LYS 14 HA LYS 14 -0.955 0.869 0.869 64 1HB LYS 14 2HB LYS 14 -3.192 1.062 1.062 65 2HB LYS 14 1HB LYS 14 -2.284 1.506 1.506 66 1HG LYS 14 2HG LYS 14 -1.173 3.180 3.180 67 2HG LYS 14 1HG LYS 14 -2.841 3.089 3.089 68 1HD LYS 14 2HD LYS 14 -2.831 3.340 3.340 69 2HD LYS 14 1HD LYS 14 -1.837 4.619 4.619 70 1HE LYS 14 2HE LYS 14 -3.779 5.038 5.038 71 2HE LYS 14 1HE LYS 14 -4.752 4.015 4.015 72 1HZ LYS 14 2HZ LYS 14 -3.140 5.886 5.886 73 2HZ LYS 14 1HZ LYS 14 -4.210 6.669 6.669 74 3HZ LYS 14 3HZ LYS 14 -4.811 5.597 5.597 75 H ALA 15 H ALA 15 0.042 -0.447 -0.447 76 HA ALA 15 HA ALA 15 1.822 1.714 1.714 77 1HB ALA 15 1HB ALA 15 0.826 0.007 0.007 78 2HB ALA 15 3HB ALA 15 1.759 -1.243 -1.243 79 3HB ALA 15 2HB ALA 15 2.588 0.015 0.015 80 H LYS 16 H LYS 16 2.045 -1.172 -1.172 81 HA LYS 16 HA LYS 16 4.961 -0.895 -0.895 82 1HB LYS 16 2HB LYS 16 4.814 -3.025 -3.025 83 2HB LYS 16 1HB LYS 16 3.323 -3.008 -3.008 84 1HG LYS 16 2HG LYS 16 2.377 -3.608 -3.608 85 2HG LYS 16 1HG LYS 16 2.460 -1.880 -1.880 86 1HD LYS 16 2HD LYS 16 3.579 -2.559 -2.559 87 2HD LYS 16 1HD LYS 16 4.950 -2.599 -2.599 88 1HE LYS 16 2HE LYS 16 4.342 -5.030 -5.030 89 2HE LYS 16 1HE LYS 16 3.226 -4.930 -4.930 90 1HZ LYS 16 2HZ LYS 16 5.233 -3.900 -3.900 91 2HZ LYS 16 1HZ LYS 16 6.161 -4.621 -4.621 92 3HZ LYS 16 3HZ LYS 16 5.203 -5.584 -5.584 93 H TYR 17 H TYR 17 2.044 0.154 0.154 94 HA TYR 17 HA TYR 17 3.208 0.790 0.790 95 1HB TYR 17 2HB TYR 17 0.668 1.688 1.688 96 2HB TYR 17 1HB TYR 17 1.010 1.918 1.918 97 HD1 TYR 17 HD2 TYR 17 2.546 -0.993 -0.993 98 HD2 TYR 17 HD1 TYR 17 -1.427 0.508 0.508 99 HE1 TYR 17 HE2 TYR 17 1.621 -3.242 -3.242 100 HE2 TYR 17 HE1 TYR 17 -2.359 -1.739 -1.739 101 HH TYR 17 HH TYR 17 -1.754 -3.992 -3.992 102 H ASP 18 H ASP 18 2.579 2.374 2.374 103 HA ASP 18 HA ASP 18 3.129 5.083 5.083 104 1HB ASP 18 2HB ASP 18 2.587 3.518 3.518 105 2HB ASP 18 1HB ASP 18 3.783 4.777 4.777 106 H ALA 19 H ALA 19 5.163 2.352 2.352 107 HA ALA 19 HA ALA 19 7.573 3.966 3.966 108 1HB ALA 19 2HB ALA 19 6.684 1.290 1.290 109 2HB ALA 19 1HB ALA 19 8.030 1.219 1.219 110 3HB ALA 19 3HB ALA 19 8.260 1.949 1.949 111 H ILE 20 H ILE 20 5.988 2.252 2.252 112 HA ILE 20 HA ILE 20 8.116 2.657 2.657 113 HB ILE 20 HB ILE 20 5.265 1.651 1.651 114 1HG1 ILE 20 2HG1 ILE 20 7.684 0.167 0.167 115 2HG1 ILE 20 1HG1 ILE 20 7.402 0.330 0.330 116 1HG2 ILE 20 2HG2 ILE 20 5.663 2.874 2.874 117 2HG2 ILE 20 1HG2 ILE 20 7.031 1.810 1.810 118 3HG2 ILE 20 3HG2 ILE 20 5.401 1.148 1.148 119 1HD1 ILE 20 2HD1 ILE 20 4.970 -0.451 -0.451 120 2HD1 ILE 20 1HD1 ILE 20 5.725 -1.074 -1.074 121 3HD1 ILE 20 3HD1 ILE 20 6.258 -1.653 -1.653 122 H PHE 21 H PHE 21 5.035 4.078 4.078 123 HA PHE 21 HA PHE 21 4.797 5.978 5.978 124 1HB PHE 21 2HB PHE 21 2.796 5.667 5.667 125 2HB PHE 21 1HB PHE 21 3.590 5.346 5.346 126 HD1 PHE 21 HD2 PHE 21 4.697 7.367 7.367 127 HD2 PHE 21 HD1 PHE 21 1.768 7.742 7.742 128 HE1 PHE 21 HE2 PHE 21 4.189 9.672 9.672 129 HE2 PHE 21 HE1 PHE 21 1.258 10.048 10.048 130 HZ PHE 21 HZ PHE 21 2.474 11.011 11.011 131 H ASP 22 H ASP 22 6.330 5.975 5.975 132 HA ASP 22 HA ASP 22 7.142 8.802 8.802 133 1HB ASP 22 2HB ASP 22 6.468 8.085 8.085 134 2HB ASP 22 1HB ASP 22 7.434 6.609 6.609 135 H SER 23 H SER 23 8.248 5.913 5.913 136 HA SER 23 HA SER 23 11.144 6.498 6.498 137 1HB SER 23 2HB SER 23 9.442 4.233 4.233 138 2HB SER 23 1HB SER 23 10.593 4.394 4.394 139 HG SER 23 HG SER 23 10.992 3.763 3.763 140 H LEU 24 H LEU 24 8.636 7.557 7.557 141 HA LEU 24 HA LEU 24 10.276 7.919 7.919 142 1HB LEU 24 2HB LEU 24 7.400 8.639 8.639 143 2HB LEU 24 1HB LEU 24 8.289 7.716 7.716 144 HG LEU 24 HG LEU 24 7.411 6.659 6.659 145 1HD1 LEU 24 3HD1 LEU 24 5.960 7.027 7.027 146 2HD1 LEU 24 2HD1 LEU 24 6.195 5.298 5.298 147 3HD1 LEU 24 1HD1 LEU 24 5.407 6.278 6.278 148 1HD2 LEU 24 3HD2 LEU 24 9.242 5.712 5.712 149 2HD2 LEU 24 2HD2 LEU 24 8.934 5.050 5.050 150 3HD2 LEU 24 1HD2 LEU 24 7.917 4.577 4.577 151 H SER 25 H SER 25 9.339 9.450 9.450 152 HA SER 25 HA SER 25 9.724 11.699 11.699 153 1HB SER 25 2HB SER 25 10.980 11.535 11.535 154 2HB SER 25 1HB SER 25 9.813 12.831 12.831 155 HG SER 25 HG SER 25 11.725 12.611 12.611 156 HA PRO 26 HA PRO 26 5.281 12.071 12.071 157 1HB PRO 26 2HB PRO 26 4.583 12.528 12.528 158 2HB PRO 26 1HB PRO 26 4.818 10.897 10.897 159 1HG PRO 26 2HG PRO 26 6.665 12.555 12.555 160 2HG PRO 26 1HG PRO 26 6.344 10.815 10.815 161 1HD PRO 26 2HD PRO 26 8.548 11.878 11.878 162 2HD PRO 26 1HD PRO 26 7.814 10.340 10.340 163 H VAL 27 H VAL 27 4.077 13.970 13.970 164 HA VAL 27 HA VAL 27 5.444 16.485 16.485 165 HB VAL 27 HB VAL 27 3.616 15.925 15.925 166 1HG1 VAL 27 3HG1 VAL 27 5.005 18.413 18.413 167 2HG1 VAL 27 2HG1 VAL 27 4.508 18.241 18.241 168 3HG1 VAL 27 1HG1 VAL 27 3.300 18.201 18.201 169 1HG2 VAL 27 3HG2 VAL 27 6.125 15.070 15.070 170 2HG2 VAL 27 2HG2 VAL 27 5.515 15.824 15.824 171 3HG2 VAL 27 1HG2 VAL 27 6.491 16.761 16.761 172 H ASN 28 H ASN 28 4.326 17.040 17.040 173 HA ASN 28 HA ASN 28 2.492 17.647 17.647 174 1HB ASN 28 2HB ASN 28 2.121 19.183 19.183 175 2HB ASN 28 1HB ASN 28 1.285 17.917 17.917 176 1HD2 ASN 28 1HD2 ASN 28 -0.906 17.399 17.399 177 2HD2 ASN 28 2HD2 ASN 28 -1.771 18.319 18.319 178 H GLY 29 H GLY 29 2.924 14.804 14.804 179 1HA GLY 29 2HA GLY 29 1.803 12.813 12.813 180 2HA GLY 29 1HA GLY 29 0.321 13.750 13.750 181 H PHE 30 H PHE 30 2.366 13.773 13.773 182 HA PHE 30 HA PHE 30 0.399 12.139 12.139 183 1HB PHE 30 2HB PHE 30 1.060 15.055 15.055 184 2HB PHE 30 1HB PHE 30 0.253 14.050 14.050 185 HD1 PHE 30 HD2 PHE 30 -1.955 13.057 13.057 186 HD2 PHE 30 HD1 PHE 30 -0.076 15.794 15.794 187 HE1 PHE 30 HE2 PHE 30 -4.127 13.406 13.406 188 HE2 PHE 30 HE1 PHE 30 -2.230 16.138 16.138 189 HZ PHE 30 HZ PHE 30 -4.266 14.949 14.949 190 H LEU 31 H LEU 31 1.184 11.591 11.591 191 HA LEU 31 HA LEU 31 4.091 12.109 12.109 192 1HB LEU 31 2HB LEU 31 2.611 9.463 9.463 193 2HB LEU 31 1HB LEU 31 4.207 9.660 9.660 194 HG LEU 31 HG LEU 31 3.796 10.684 10.684 195 1HD1 LEU 31 2HD1 LEU 31 2.783 8.376 8.376 196 2HD1 LEU 31 1HD1 LEU 31 4.353 7.772 7.772 197 3HD1 LEU 31 3HD1 LEU 31 4.182 8.502 8.502 198 1HD2 LEU 31 1HD2 LEU 31 5.984 9.823 9.823 199 2HD2 LEU 31 3HD2 LEU 31 5.973 11.085 11.085 200 3HD2 LEU 31 2HD2 LEU 31 6.195 9.397 9.397 201 H SER 32 H SER 32 4.477 12.611 12.611 202 HA SER 32 HA SER 32 2.203 12.746 12.746 203 1HB SER 32 2HB SER 32 4.731 13.366 13.366 204 2HB SER 32 1HB SER 32 3.441 14.472 14.472 205 HG SER 32 HG SER 32 5.618 14.670 14.670 206 H GLY 33 H GLY 33 1.878 11.447 11.447 207 1HA GLY 33 2HA GLY 33 2.646 8.814 8.814 208 2HA GLY 33 1HA GLY 33 2.362 9.756 9.756 209 H ASP 34 H ASP 34 4.637 11.582 11.582 210 HA ASP 34 HA ASP 34 6.699 10.439 10.439 211 1HB ASP 34 2HB ASP 34 6.134 12.804 12.804 212 2HB ASP 34 1HB ASP 34 7.586 12.239 12.239 213 H LYS 35 H LYS 35 6.166 10.234 10.234 214 HA LYS 35 HA LYS 35 8.669 8.652 8.652 215 1HB LYS 35 2HB LYS 35 6.797 9.185 9.185 216 2HB LYS 35 1HB LYS 35 8.556 9.294 9.294 217 1HG LYS 35 2HG LYS 35 8.259 11.346 11.346 218 2HG LYS 35 1HG LYS 35 6.547 11.290 11.290 219 1HD LYS 35 2HD LYS 35 7.424 11.158 11.158 220 2HD LYS 35 1HD LYS 35 8.923 11.797 11.797 221 1HE LYS 35 2HE LYS 35 6.572 13.256 13.256 222 2HE LYS 35 1HE LYS 35 6.752 13.336 13.336 223 1HZ LYS 35 1HZ LYS 35 9.202 13.542 13.542 224 2HZ LYS 35 3HZ LYS 35 8.150 14.866 14.866 225 3HZ LYS 35 2HZ LYS 35 8.728 14.382 14.382 226 H VAL 36 H VAL 36 5.184 8.426 8.426 227 HA VAL 36 HA VAL 36 5.201 5.699 5.699 228 HB VAL 36 HB VAL 36 3.037 7.339 7.339 229 1HG1 VAL 36 1HG1 VAL 36 3.113 4.789 4.789 230 2HG1 VAL 36 3HG1 VAL 36 1.723 5.853 5.853 231 3HG1 VAL 36 2HG1 VAL 36 2.122 5.224 5.224 232 1HG2 VAL 36 3HG2 VAL 36 4.476 7.872 7.872 233 2HG2 VAL 36 2HG2 VAL 36 2.973 8.631 8.631 234 3HG2 VAL 36 1HG2 VAL 36 2.925 7.211 7.211 235 H LYS 37 H LYS 37 4.425 7.162 7.162 236 HA LYS 37 HA LYS 37 3.655 4.898 4.898 237 1HB LYS 37 2HB LYS 37 3.724 7.151 7.151 238 2HB LYS 37 1HB LYS 37 5.485 7.154 7.154 239 1HG LYS 37 2HG LYS 37 5.551 5.249 5.249 240 2HG LYS 37 1HG LYS 37 3.789 5.242 5.242 241 1HD LYS 37 2HD LYS 37 3.690 7.223 7.223 242 2HD LYS 37 1HD LYS 37 5.253 7.787 7.787 243 1HE LYS 37 2HE LYS 37 5.189 6.983 6.983 244 2HE LYS 37 1HE LYS 37 6.442 6.254 6.254 245 1HZ LYS 37 1HZ LYS 37 3.787 5.023 5.023 246 2HZ LYS 37 3HZ LYS 37 4.766 4.769 4.769 247 3HZ LYS 37 2HZ LYS 37 5.315 4.300 4.300 248 HA PRO 38 HA PRO 38 8.223 3.694 3.694 249 1HB PRO 38 2HB PRO 38 10.113 4.732 4.732 250 2HB PRO 38 1HB PRO 38 9.691 5.481 5.481 251 1HG PRO 38 2HG PRO 38 8.778 6.183 6.183 252 2HG PRO 38 1HG PRO 38 9.250 7.247 7.247 253 1HD PRO 38 2HD PRO 38 6.669 6.797 6.797 254 2HD PRO 38 1HD PRO 38 7.212 7.059 7.059 255 H VAL 39 H VAL 39 7.258 4.462 4.462 256 HA VAL 39 HA VAL 39 8.477 2.275 2.275 257 HB VAL 39 HB VAL 39 6.239 4.223 4.223 258 1HG1 VAL 39 1HG1 VAL 39 6.413 1.584 1.584 259 2HG1 VAL 39 3HG1 VAL 39 6.154 2.976 2.976 260 3HG1 VAL 39 2HG1 VAL 39 5.017 2.632 2.632 261 1HG2 VAL 39 1HG2 VAL 39 8.830 4.365 4.365 262 2HG2 VAL 39 3HG2 VAL 39 7.622 5.099 5.099 263 3HG2 VAL 39 2HG2 VAL 39 8.310 3.528 3.528 264 H LEU 40 H LEU 40 5.571 2.532 2.532 265 HA LEU 40 HA LEU 40 4.530 -0.078 -0.078 266 1HB LEU 40 2HB LEU 40 3.780 1.793 1.793 267 2HB LEU 40 1HB LEU 40 2.809 0.439 0.439 268 HG LEU 40 HG LEU 40 3.546 2.942 2.942 269 1HD1 LEU 40 2HD1 LEU 40 0.979 1.705 1.705 270 2HD1 LEU 40 1HD1 LEU 40 0.998 2.952 2.952 271 3HD1 LEU 40 3HD1 LEU 40 1.628 3.307 3.307 272 1HD2 LEU 40 2HD2 LEU 40 2.327 0.351 0.351 273 2HD2 LEU 40 1HD2 LEU 40 3.815 1.114 1.114 274 3HD2 LEU 40 3HD2 LEU 40 2.251 1.863 1.863 275 H LEU 41 H LEU 41 6.816 1.095 1.095 276 HA LEU 41 HA LEU 41 6.555 -1.064 -1.064 277 1HB LEU 41 2HB LEU 41 8.482 1.170 1.170 278 2HB LEU 41 1HB LEU 41 8.876 -0.043 -0.043 279 HG LEU 41 HG LEU 41 6.228 1.390 1.390 280 1HD1 LEU 41 2HD1 LEU 41 8.886 2.495 2.495 281 2HD1 LEU 41 1HD1 LEU 41 7.847 2.589 2.589 282 3HD1 LEU 41 3HD1 LEU 41 7.331 3.321 3.321 283 1HD2 LEU 41 3HD2 LEU 41 7.077 -0.743 -0.743 284 2HD2 LEU 41 2HD2 LEU 41 6.045 0.484 0.484 285 3HD2 LEU 41 1HD2 LEU 41 7.786 0.516 0.516 286 H ASN 42 H ASN 42 8.325 -0.408 -0.408 287 HA ASN 42 HA ASN 42 10.371 -2.373 -2.373 288 1HB ASN 42 2HB ASN 42 8.754 -1.373 -1.373 289 2HB ASN 42 1HB ASN 42 10.290 -2.232 -2.232 290 1HD2 ASN 42 1HD2 ASN 42 8.788 0.809 0.809 291 2HD2 ASN 42 2HD2 ASN 42 10.234 1.690 1.690 292 H SER 43 H SER 43 6.947 -2.614 -2.614 293 HA SER 43 HA SER 43 6.817 -5.230 -5.230 294 1HB SER 43 2HB SER 43 4.537 -4.899 -4.899 295 2HB SER 43 1HB SER 43 5.107 -3.241 -3.241 296 HG SER 43 HG SER 43 4.358 -5.078 -5.078 297 H LYS 44 H LYS 44 7.707 -4.170 -4.170 298 HA LYS 44 HA LYS 44 8.455 -5.430 -5.430 299 1HB LYS 44 2HB LYS 44 8.559 -7.174 -7.174 300 2HB LYS 44 1HB LYS 44 7.432 -8.001 -8.001 301 1HG LYS 44 2HG LYS 44 9.173 -8.688 -8.688 302 2HG LYS 44 1HG LYS 44 9.530 -7.004 -7.004 303 1HD LYS 44 2HD LYS 44 11.438 -7.192 -7.192 304 2HD LYS 44 1HD LYS 44 10.470 -7.418 -7.418 305 1HE LYS 44 2HE LYS 44 11.432 -9.484 -9.484 306 2HE LYS 44 1HE LYS 44 10.356 -9.914 -9.914 307 1HZ LYS 44 2HZ LYS 44 12.223 -8.596 -8.596 308 2HZ LYS 44 1HZ LYS 44 13.182 -9.191 -9.191 309 3HZ LYS 44 3HZ LYS 44 12.323 -10.268 -10.268 310 H LEU 45 H LEU 45 5.500 -4.672 -4.672 311 HA LEU 45 HA LEU 45 3.909 -6.438 -6.438 312 1HB LEU 45 2HB LEU 45 3.478 -4.100 -4.100 313 2HB LEU 45 1HB LEU 45 2.220 -4.510 -4.510 314 HG LEU 45 HG LEU 45 3.428 -6.465 -6.465 315 1HD1 LEU 45 1HD1 LEU 45 1.805 -4.389 -4.389 316 2HD1 LEU 45 3HD1 LEU 45 0.602 -5.592 -5.592 317 3HD1 LEU 45 2HD1 LEU 45 1.760 -5.943 -5.943 318 1HD2 LEU 45 3HD2 LEU 45 2.185 -7.009 -7.009 319 2HD2 LEU 45 2HD2 LEU 45 2.105 -8.064 -8.064 320 3HD2 LEU 45 1HD2 LEU 45 0.798 -6.926 -6.926 321 HA PRO 46 HA PRO 46 4.250 -3.927 -3.927 322 1HB PRO 46 2HB PRO 46 1.782 -4.307 -4.307 323 2HB PRO 46 1HB PRO 46 3.054 -5.544 -5.544 324 1HG PRO 46 2HG PRO 46 0.646 -5.312 -5.312 325 2HG PRO 46 1HG PRO 46 1.443 -6.752 -6.752 326 1HD PRO 46 2HD PRO 46 1.704 -5.867 -5.867 327 2HD PRO 46 1HD PRO 46 2.886 -6.894 -6.894 328 H VAL 47 H VAL 47 3.462 -1.902 -1.902 329 HA VAL 47 HA VAL 47 2.634 0.066 0.066 330 HB VAL 47 HB VAL 47 2.557 -0.105 -0.105 331 1HG1 VAL 47 3HG1 VAL 47 2.196 2.297 2.297 332 2HG1 VAL 47 2HG1 VAL 47 2.438 2.384 2.384 333 3HG1 VAL 47 1HG1 VAL 47 0.986 1.623 1.623 334 1HG2 VAL 47 2HG2 VAL 47 4.497 1.051 1.051 335 2HG2 VAL 47 1HG2 VAL 47 4.792 -0.266 -0.266 336 3HG2 VAL 47 3HG2 VAL 47 4.590 1.381 1.381 337 H ASP 48 H ASP 48 0.700 -2.327 -2.327 338 HA ASP 48 HA ASP 48 -1.766 -0.808 -0.808 339 1HB ASP 48 2HB ASP 48 -0.956 -3.049 -3.049 340 2HB ASP 48 1HB ASP 48 -1.533 -3.773 -3.773 341 H ILE 49 H ILE 49 -0.278 -3.005 -3.005 342 HA ILE 49 HA ILE 49 -2.407 -3.033 -3.033 343 HB ILE 49 HB ILE 49 0.575 -3.120 -3.120 344 1HG1 ILE 49 2HG1 ILE 49 0.266 -4.646 -4.646 345 2HG1 ILE 49 1HG1 ILE 49 0.226 -5.638 -5.638 346 1HG2 ILE 49 3HG2 ILE 49 -1.786 -3.551 -3.551 347 2HG2 ILE 49 2HG2 ILE 49 -0.879 -5.058 -5.058 348 3HG2 ILE 49 1HG2 ILE 49 -0.096 -3.604 -3.604 349 1HD1 ILE 49 3HD1 ILE 49 -2.300 -5.398 -5.398 350 2HD1 ILE 49 2HD1 ILE 49 -2.128 -4.685 -4.685 351 3HD1 ILE 49 1HD1 ILE 49 -1.617 -6.349 -6.349 352 H LEU 50 H LEU 50 0.450 -1.019 -1.019 353 HA LEU 50 HA LEU 50 0.073 0.721 0.721 354 1HB LEU 50 2HB LEU 50 1.288 1.322 1.322 355 2HB LEU 50 1HB LEU 50 1.710 2.080 2.080 356 HG LEU 50 HG LEU 50 2.282 -0.740 -0.740 357 1HD1 LEU 50 2HD1 LEU 50 3.798 1.725 1.725 358 2HD1 LEU 50 1HD1 LEU 50 4.510 0.218 0.218 359 3HD1 LEU 50 3HD1 LEU 50 4.180 0.434 0.434 360 1HD2 LEU 50 2HD2 LEU 50 1.769 0.271 0.271 361 2HD2 LEU 50 1HD2 LEU 50 1.747 -1.385 -1.385 362 3HD2 LEU 50 3HD2 LEU 50 3.280 -0.622 -0.622 363 H GLY 51 H GLY 51 -1.526 0.449 0.449 364 1HA GLY 51 2HA GLY 51 -2.596 3.189 3.189 365 2HA GLY 51 1HA GLY 51 -3.022 1.938 1.938 366 H ARG 52 H ARG 52 -3.494 -0.033 -0.033 367 HA ARG 52 HA ARG 52 -6.243 0.843 0.843 368 1HB ARG 52 2HB ARG 52 -4.895 -1.583 -1.583 369 2HB ARG 52 1HB ARG 52 -5.720 -1.827 -1.827 370 1HG ARG 52 2HG ARG 52 -7.798 -0.899 -0.899 371 2HG ARG 52 1HG ARG 52 -6.970 -0.730 -0.730 372 1HD ARG 52 2HD ARG 52 -6.937 -3.407 -3.407 373 2HD ARG 52 1HD ARG 52 -8.403 -2.899 -2.899 374 HE ARG 52 HE ARG 52 -5.757 -2.676 -2.676 375 1HH1 ARG 52 1HH2 ARG 52 -8.607 -4.525 -4.525 376 2HH1 ARG 52 2HH2 ARG 52 -8.766 -4.944 -4.944 377 1HH2 ARG 52 2HH1 ARG 52 -6.107 -2.972 -2.972 378 2HH2 ARG 52 1HH1 ARG 52 -7.353 -4.066 -4.066 379 H VAL 53 H VAL 53 -3.559 -0.907 -0.907 380 HA VAL 53 HA VAL 53 -4.426 -0.812 -0.812 381 HB VAL 53 HB VAL 53 -1.765 -0.680 -0.680 382 1HG1 VAL 53 2HG1 VAL 53 -1.697 0.637 0.637 383 2HG1 VAL 53 1HG1 VAL 53 -1.995 -0.915 -0.915 384 3HG1 VAL 53 3HG1 VAL 53 -0.547 -0.679 -0.679 385 1HG2 VAL 53 2HG2 VAL 53 -3.340 -2.724 -2.724 386 2HG2 VAL 53 1HG2 VAL 53 -1.628 -2.935 -2.935 387 3HG2 VAL 53 3HG2 VAL 53 -2.796 -2.714 -2.714 388 H TRP 54 H TRP 54 -2.987 1.789 1.789 389 HA TRP 54 HA TRP 54 -2.774 3.649 3.649 390 1HB TRP 54 2HB TRP 54 -1.343 3.964 3.964 391 2HB TRP 54 1HB TRP 54 -2.711 3.916 3.916 392 HD1 TRP 54 HD1 TRP 54 -4.538 5.959 5.959 393 HE1 TRP 54 HE1 TRP 54 -4.145 8.432 8.432 394 HE3 TRP 54 HE3 TRP 54 0.104 5.601 5.601 395 HZ2 TRP 54 HZ2 TRP 54 -2.127 10.034 10.034 396 HZ3 TRP 54 HZ3 TRP 54 1.240 7.617 7.617 397 HH2 TRP 54 HH2 TRP 54 0.131 9.833 9.833 398 H GLU 55 H GLU 55 -4.909 3.621 3.621 399 HA GLU 55 HA GLU 55 -6.667 5.652 5.652 400 1HB GLU 55 2HB GLU 55 -7.947 4.814 4.814 401 2HB GLU 55 1HB GLU 55 -6.472 3.896 3.896 402 1HG GLU 55 2HG GLU 55 -7.352 1.994 1.994 403 2HG GLU 55 1HG GLU 55 -8.775 2.913 2.913 404 H LEU 56 H LEU 56 -6.861 2.239 2.239 405 HA LEU 56 HA LEU 56 -9.164 2.668 2.668 406 1HB LEU 56 2HB LEU 56 -7.158 0.393 0.393 407 2HB LEU 56 1HB LEU 56 -8.713 0.305 0.305 408 HG LEU 56 HG LEU 56 -8.707 1.216 1.216 409 1HD1 LEU 56 3HD1 LEU 56 -7.449 -1.201 -1.201 410 2HD1 LEU 56 2HD1 LEU 56 -9.024 -1.641 -1.641 411 3HD1 LEU 56 1HD1 LEU 56 -7.892 -0.694 -0.694 412 1HD2 LEU 56 2HD2 LEU 56 -10.519 -0.305 -0.305 413 2HD2 LEU 56 1HD2 LEU 56 -10.850 1.180 1.180 414 3HD2 LEU 56 3HD2 LEU 56 -10.789 -0.362 -0.362 415 H SER 57 H SER 57 -5.815 3.244 3.244 416 HA SER 57 HA SER 57 -5.731 3.008 3.008 417 1HB SER 57 2HB SER 57 -3.784 2.171 2.171 418 2HB SER 57 1HB SER 57 -3.796 3.399 3.399 419 HG SER 57 HG SER 57 -2.724 4.683 4.683 420 H ASP 58 H ASP 58 -5.609 5.407 5.407 421 HA ASP 58 HA ASP 58 -5.087 7.668 7.668 422 1HB ASP 58 2HB ASP 58 -4.644 7.234 7.234 423 2HB ASP 58 1HB ASP 58 -6.281 7.868 7.868 424 H ILE 59 H ILE 59 -6.832 7.367 7.367 425 HA ILE 59 HA ILE 59 -9.542 7.048 7.048 426 HB ILE 59 HB ILE 59 -8.112 8.780 8.780 427 1HG1 ILE 59 2HG1 ILE 59 -7.449 6.360 6.360 428 2HG1 ILE 59 1HG1 ILE 59 -8.208 6.796 6.796 429 1HG2 ILE 59 1HG2 ILE 59 -10.956 7.773 7.773 430 2HG2 ILE 59 3HG2 ILE 59 -10.217 8.227 8.227 431 3HG2 ILE 59 2HG2 ILE 59 -10.397 9.425 9.425 432 1HD1 ILE 59 1HD1 ILE 59 -10.370 6.091 6.091 433 2HD1 ILE 59 3HD1 ILE 59 -9.126 4.942 4.942 434 3HD1 ILE 59 2HD1 ILE 59 -9.598 5.051 5.051 435 H ASP 60 H ASP 60 -7.626 10.012 10.012 436 HA ASP 60 HA ASP 60 -10.131 11.479 11.479 437 1HB ASP 60 2HB ASP 60 -8.787 13.471 13.471 438 2HB ASP 60 1HB ASP 60 -8.577 12.349 12.349 439 H HIS 61 H HIS 61 -7.370 10.029 10.029 440 HA HIS 61 HA HIS 61 -6.755 9.950 9.950 441 1HB HIS 61 2HB HIS 61 -9.155 11.600 11.600 442 2HB HIS 61 1HB HIS 61 -8.533 10.151 10.151 443 HD1 HIS 61 HD1 HIS 61 -11.332 11.164 11.164 444 HD2 HIS 61 HD2 HIS 61 -8.846 7.825 7.825 445 HE1 HIS 61 HE1 HIS 61 -12.626 9.382 9.382 446 H ASP 62 H ASP 62 -5.674 12.033 12.033 447 HA ASP 62 HA ASP 62 -5.787 14.442 14.442 448 1HB ASP 62 2HB ASP 62 -5.122 15.639 15.639 449 2HB ASP 62 1HB ASP 62 -6.305 14.454 14.454 450 H GLY 63 H GLY 63 -4.069 11.768 11.768 451 1HA GLY 63 2HA GLY 63 -1.968 11.374 11.374 452 2HA GLY 63 1HA GLY 63 -1.656 13.110 13.110 453 H MET 64 H MET 64 -2.750 12.037 12.037 454 HA MET 64 HA MET 64 -0.013 11.459 11.459 455 1HB MET 64 2HB MET 64 -1.706 13.829 13.829 456 2HB MET 64 1HB MET 64 -1.070 13.167 13.167 457 1HG MET 64 2HG MET 64 1.187 13.235 13.235 458 2HG MET 64 1HG MET 64 0.583 13.795 13.795 459 1HE MET 64 1HE MET 64 2.777 15.089 15.089 460 2HE MET 64 3HE MET 64 2.615 16.617 16.617 461 3HE MET 64 2HE MET 64 2.563 15.086 15.086 462 H LEU 65 H LEU 65 -0.078 10.518 10.518 463 HA LEU 65 HA LEU 65 -2.741 9.288 9.288 464 1HB LEU 65 2HB LEU 65 0.068 8.166 8.166 465 2HB LEU 65 1HB LEU 65 -1.216 7.342 7.342 466 HG LEU 65 HG LEU 65 -1.545 8.185 8.185 467 1HD1 LEU 65 2HD1 LEU 65 -0.112 5.840 5.840 468 2HD1 LEU 65 1HD1 LEU 65 -1.132 5.548 5.548 469 3HD1 LEU 65 3HD1 LEU 65 0.196 6.703 6.703 470 1HD2 LEU 65 1HD2 LEU 65 -3.503 7.562 7.562 471 2HD2 LEU 65 3HD2 LEU 65 -3.393 6.681 6.681 472 3HD2 LEU 65 2HD2 LEU 65 -2.850 5.926 5.926 473 H ASP 66 H ASP 66 -3.368 9.982 9.982 474 HA ASP 66 HA ASP 66 -1.566 11.270 11.270 475 1HB ASP 66 2HB ASP 66 -4.198 11.301 11.301 476 2HB ASP 66 1HB ASP 66 -4.144 9.992 9.992 477 H ARG 67 H ARG 67 -1.174 10.378 10.378 478 HA ARG 67 HA ARG 67 0.218 7.977 7.977 479 1HB ARG 67 2HB ARG 67 0.013 8.195 8.195 480 2HB ARG 67 1HB ARG 67 -0.057 9.832 9.832 481 1HG ARG 67 2HG ARG 67 -2.630 9.457 9.457 482 2HG ARG 67 1HG ARG 67 -2.302 8.142 8.142 483 1HD ARG 67 2HD ARG 67 -1.591 11.073 11.073 484 2HD ARG 67 1HD ARG 67 -2.760 10.129 10.129 485 HE ARG 67 HE ARG 67 -0.583 8.624 8.624 486 1HH1 ARG 67 1HH2 ARG 67 -1.454 11.747 11.747 487 2HH1 ARG 67 2HH2 ARG 67 0.095 12.190 12.190 488 1HH2 ARG 67 2HH1 ARG 67 1.673 9.316 9.316 489 2HH2 ARG 67 1HH1 ARG 67 1.866 10.815 10.815 490 H ASP 68 H ASP 68 -3.279 8.433 8.433 491 HA ASP 68 HA ASP 68 -3.752 5.602 5.602 492 1HB ASP 68 2HB ASP 68 -5.753 7.738 7.738 493 2HB ASP 68 1HB ASP 68 -6.011 6.333 6.333 494 H GLU 69 H GLU 69 -3.961 7.747 7.747 495 HA GLU 69 HA GLU 69 -5.398 5.887 5.887 496 1HB GLU 69 2HB GLU 69 -3.502 8.155 8.155 497 2HB GLU 69 1HB GLU 69 -4.731 7.473 7.473 498 1HG GLU 69 2HG GLU 69 -6.373 8.065 8.065 499 2HG GLU 69 1HG GLU 69 -5.091 9.160 9.160 500 H PHE 70 H PHE 70 -1.979 6.717 6.717 501 HA PHE 70 HA PHE 70 -0.864 5.008 5.008 502 1HB PHE 70 2HB PHE 70 0.229 6.820 6.820 503 2HB PHE 70 1HB PHE 70 0.278 5.622 5.622 504 HD1 PHE 70 HD1 PHE 70 1.538 6.491 6.491 505 HD2 PHE 70 HD2 PHE 70 1.774 3.720 3.720 506 HE1 PHE 70 HE1 PHE 70 3.587 5.501 5.501 507 HE2 PHE 70 HE2 PHE 70 3.826 2.729 2.729 508 HZ PHE 70 HZ PHE 70 4.726 3.625 3.625 509 H ALA 71 H ALA 71 -2.065 4.447 4.447 510 HA ALA 71 HA ALA 71 -1.031 1.852 1.852 511 1HB ALA 71 1HB ALA 71 -2.777 3.688 3.688 512 2HB ALA 71 3HB ALA 71 -3.811 2.295 2.295 513 3HB ALA 71 2HB ALA 71 -2.368 2.110 2.110 514 H VAL 72 H VAL 72 -4.079 2.802 2.802 515 HA VAL 72 HA VAL 72 -5.061 0.204 0.204 516 HB VAL 72 HB VAL 72 -5.355 2.846 2.846 517 1HG1 VAL 72 2HG1 VAL 72 -6.169 0.348 0.348 518 2HG1 VAL 72 1HG1 VAL 72 -7.600 0.962 0.962 519 3HG1 VAL 72 3HG1 VAL 72 -6.881 1.886 1.886 520 1HG2 VAL 72 1HG2 VAL 72 -5.961 2.618 2.618 521 2HG2 VAL 72 3HG2 VAL 72 -7.193 3.279 3.279 522 3HG2 VAL 72 2HG2 VAL 72 -7.287 1.597 1.597 523 H ALA 73 H ALA 73 -2.598 2.115 2.115 524 HA ALA 73 HA ALA 73 -2.612 0.434 0.434 525 1HB ALA 73 2HB ALA 73 -1.641 2.990 2.990 526 2HB ALA 73 1HB ALA 73 -0.310 2.083 2.083 527 3HB ALA 73 3HB ALA 73 -1.791 2.388 2.388 528 H MET 74 H MET 74 -1.260 0.078 0.078 529 HA MET 74 HA MET 74 1.213 -1.205 -1.205 530 1HB MET 74 2HB MET 74 0.189 -1.124 -1.124 531 2HB MET 74 1HB MET 74 1.857 -1.245 -1.245 532 1HG MET 74 2HG MET 74 0.083 1.151 1.151 533 2HG MET 74 1HG MET 74 1.786 0.993 0.993 534 1HE MET 74 1HE MET 74 3.636 0.686 0.686 535 2HE MET 74 3HE MET 74 2.877 -0.468 -0.468 536 3HE MET 74 2HE MET 74 3.587 1.015 1.015 537 H PHE 75 H PHE 75 -1.811 -2.152 -2.152 538 HA PHE 75 HA PHE 75 -1.036 -4.977 -4.977 539 1HB PHE 75 2HB PHE 75 -2.991 -5.275 -5.275 540 2HB PHE 75 1HB PHE 75 -2.627 -3.590 -3.590 541 HD1 PHE 75 HD1 PHE 75 -4.714 -5.850 -5.850 542 HD2 PHE 75 HD2 PHE 75 -4.021 -1.814 -1.814 543 HE1 PHE 75 HE1 PHE 75 -6.899 -5.171 -5.171 544 HE2 PHE 75 HE2 PHE 75 -6.192 -1.136 -1.136 545 HZ PHE 75 HZ PHE 75 -7.640 -2.810 -2.810 546 H LEU 76 H LEU 76 -2.432 -2.711 -2.711 547 HA LEU 76 HA LEU 76 -3.825 -4.681 -4.681 548 1HB LEU 76 2HB LEU 76 -3.390 -1.756 -1.756 549 2HB LEU 76 1HB LEU 76 -3.575 -2.393 -2.393 550 HG LEU 76 HG LEU 76 -5.493 -2.945 -2.945 551 1HD1 LEU 76 3HD1 LEU 76 -5.478 -0.558 -0.558 552 2HD1 LEU 76 2HD1 LEU 76 -5.850 -1.132 -1.132 553 3HD1 LEU 76 1HD1 LEU 76 -7.003 -1.387 -1.387 554 1HD2 LEU 76 2HD2 LEU 76 -5.551 -3.572 -3.572 555 2HD2 LEU 76 1HD2 LEU 76 -5.491 -4.733 -4.733 556 3HD2 LEU 76 3HD2 LEU 76 -6.938 -3.757 -3.757 557 H VAL 77 H VAL 77 -0.657 -3.347 -3.347 558 HA VAL 77 HA VAL 77 0.231 -4.154 -4.154 559 HB VAL 77 HB VAL 77 1.544 -2.854 -2.854 560 1HG1 VAL 77 1HG1 VAL 77 2.669 -3.857 -3.857 561 2HG1 VAL 77 3HG1 VAL 77 3.285 -2.329 -2.329 562 3HG1 VAL 77 2HG1 VAL 77 3.415 -3.803 -3.803 563 1HG2 VAL 77 1HG2 VAL 77 -0.205 -1.690 -1.690 564 2HG2 VAL 77 3HG2 VAL 77 1.266 -0.834 -0.834 565 3HG2 VAL 77 2HG2 VAL 77 1.160 -1.612 -1.612 566 H TYR 78 H TYR 78 0.766 -5.038 -5.038 567 HA TYR 78 HA TYR 78 2.642 -7.158 -7.158 568 1HB TYR 78 2HB TYR 78 1.132 -6.049 -6.049 569 2HB TYR 78 1HB TYR 78 1.602 -7.744 -7.744 570 HD1 TYR 78 HD2 TYR 78 4.131 -8.081 -8.081 571 HD2 TYR 78 HD1 TYR 78 2.642 -4.612 -4.612 572 HE1 TYR 78 HE2 TYR 78 6.457 -7.381 -7.381 573 HE2 TYR 78 HE1 TYR 78 4.963 -3.911 -3.911 574 HH TYR 78 HH TYR 78 7.720 -5.511 -5.511 575 H CYS 79 H CYS 79 -0.825 -6.914 -6.914 576 HA CYS 79 HA CYS 79 -1.314 -9.797 -9.797 577 1HB CYS 79 2HB CYS 79 -2.833 -7.780 -7.780 578 2HB CYS 79 1HB CYS 79 -3.165 -7.688 -7.688 579 HG CYS 79 HG CYS 79 -3.621 -10.512 -10.512 580 H ALA 80 H ALA 80 -0.326 -7.613 -7.613 581 HA ALA 80 HA ALA 80 -1.353 -9.263 -9.263 582 1HB ALA 80 2HB ALA 80 -0.150 -6.598 -6.598 583 2HB ALA 80 1HB ALA 80 0.310 -7.373 -7.373 584 3HB ALA 80 3HB ALA 80 -1.392 -7.086 -7.086 585 H LEU 81 H LEU 81 1.378 -9.072 -9.072 586 HA LEU 81 HA LEU 81 3.261 -10.243 -10.243 587 1HB LEU 81 2HB LEU 81 3.668 -9.861 -9.861 588 2HB LEU 81 1HB LEU 81 4.879 -9.827 -9.827 589 HG LEU 81 HG LEU 81 2.943 -7.709 -7.709 590 1HD1 LEU 81 1HD1 LEU 81 5.717 -8.109 -8.109 591 2HD1 LEU 81 3HD1 LEU 81 5.456 -6.903 -6.903 592 3HD1 LEU 81 2HD1 LEU 81 4.860 -6.615 -6.615 593 1HD2 LEU 81 2HD2 LEU 81 3.722 -8.362 -8.362 594 2HD2 LEU 81 1HD2 LEU 81 2.243 -7.622 -7.622 595 3HD2 LEU 81 3HD2 LEU 81 3.716 -6.661 -6.661 596 H GLU 82 H GLU 82 1.353 -11.136 -11.136 597 HA GLU 82 HA GLU 82 2.474 -13.767 -13.767 598 1HB GLU 82 2HB GLU 82 1.277 -12.583 -12.583 599 2HB GLU 82 1HB GLU 82 -0.167 -12.482 -12.482 600 1HG GLU 82 2HG GLU 82 -0.371 -14.311 -14.311 601 2HG GLU 82 1HG GLU 82 -0.340 -14.944 -14.944 602 H LYS 83 H LYS 83 -0.602 -12.659 -12.659 603 HA LYS 83 HA LYS 83 -0.458 -14.422 -14.422 604 1HB LYS 83 2HB LYS 83 -0.921 -15.669 -15.669 605 2HB LYS 83 1HB LYS 83 -2.444 -15.737 -15.737 606 1HG LYS 83 2HG LYS 83 -1.420 -16.827 -16.827 607 2HG LYS 83 1HG LYS 83 0.201 -16.514 -16.514 608 1HD LYS 83 2HD LYS 83 -1.016 -17.854 -17.854 609 2HD LYS 83 1HD LYS 83 -1.671 -18.668 -18.668 610 1HE LYS 83 2HE LYS 83 1.059 -18.323 -18.323 611 2HE LYS 83 1HE LYS 83 1.004 -18.846 -18.846 612 1HZ LYS 83 1HZ LYS 83 -0.601 -20.572 -20.572 613 2HZ LYS 83 3HZ LYS 83 -0.374 -20.134 -20.134 614 3HZ LYS 83 2HZ LYS 83 0.920 -20.778 -20.778 615 H GLU 84 H GLU 84 -2.403 -12.436 -12.436 616 HA GLU 84 HA GLU 84 -4.739 -12.636 -12.636 617 1HB GLU 84 2HB GLU 84 -4.216 -11.431 -11.431 618 2HB GLU 84 1HB GLU 84 -5.734 -11.175 -11.175 619 1HG GLU 84 2HG GLU 84 -4.550 -13.841 -13.841 620 2HG GLU 84 1HG GLU 84 -6.005 -13.085 -13.085 621 HA PRO 85 HA PRO 85 -3.314 -8.883 -8.883 622 1HB PRO 85 2HB PRO 85 -5.354 -8.741 -8.741 623 2HB PRO 85 1HB PRO 85 -3.971 -9.837 -9.837 624 1HG PRO 85 2HG PRO 85 -6.729 -10.415 -10.415 625 2HG PRO 85 1HG PRO 85 -5.657 -11.391 -11.391 626 1HD PRO 85 2HD PRO 85 -6.066 -11.857 -11.857 627 2HD PRO 85 1HD PRO 85 -4.581 -12.310 -12.310 628 H VAL 86 H VAL 86 -5.011 -6.940 -6.940 629 HA VAL 86 HA VAL 86 -6.793 -6.305 -6.305 630 HB VAL 86 HB VAL 86 -4.854 -4.500 -4.500 631 1HG1 VAL 86 3HG1 VAL 86 -6.863 -3.322 -3.322 632 2HG1 VAL 86 2HG1 VAL 86 -6.595 -3.993 -3.993 633 3HG1 VAL 86 1HG1 VAL 86 -5.434 -2.856 -2.856 634 1HG2 VAL 86 3HG2 VAL 86 -4.774 -5.769 -5.769 635 2HG2 VAL 86 2HG2 VAL 86 -3.648 -6.049 -6.049 636 3HG2 VAL 86 1HG2 VAL 86 -3.687 -4.482 -4.482 637 HA PRO 87 HA PRO 87 -9.572 -5.313 -5.313 638 1HB PRO 87 2HB PRO 87 -11.668 -4.535 -4.535 639 2HB PRO 87 1HB PRO 87 -11.201 -6.234 -6.234 640 1HG PRO 87 2HG PRO 87 -10.845 -4.457 -4.457 641 2HG PRO 87 1HG PRO 87 -10.908 -6.223 -6.223 642 1HD PRO 87 2HD PRO 87 -8.600 -4.574 -4.574 643 2HD PRO 87 1HD PRO 87 -8.658 -6.340 -6.340 644 H MET 88 H MET 88 -11.374 -3.273 -3.273 645 HA MET 88 HA MET 88 -9.687 -0.811 -0.811 646 1HB MET 88 2HB MET 88 -11.805 -1.698 -1.698 647 2HB MET 88 1HB MET 88 -11.399 0.005 0.005 648 1HG MET 88 2HG MET 88 -8.963 -0.703 -0.703 649 2HG MET 88 1HG MET 88 -9.614 -2.245 -2.245 650 1HE MET 88 3HE MET 88 -8.816 1.162 1.162 651 2HE MET 88 2HE MET 88 -8.022 0.567 0.567 652 3HE MET 88 1HE MET 88 -9.332 1.737 1.737 653 H SER 89 H SER 89 -12.152 -2.346 -2.346 654 HA SER 89 HA SER 89 -13.701 0.185 0.185 655 1HB SER 89 2HB SER 89 -14.344 -2.732 -2.732 656 2HB SER 89 1HB SER 89 -15.374 -1.606 -1.606 657 HG SER 89 HG SER 89 -15.696 -0.477 -0.477 658 H LEU 90 H LEU 90 -12.829 1.148 1.148 659 HA LEU 90 HA LEU 90 -11.695 -0.101 -0.101 660 1HB LEU 90 2HB LEU 90 -12.267 2.489 2.489 661 2HB LEU 90 1HB LEU 90 -13.008 2.405 2.405 662 HG LEU 90 HG LEU 90 -10.155 1.590 1.590 663 1HD1 LEU 90 3HD1 LEU 90 -11.344 4.177 4.177 664 2HD1 LEU 90 2HD1 LEU 90 -9.662 3.736 3.736 665 3HD1 LEU 90 1HD1 LEU 90 -10.245 3.960 3.960 666 1HD2 LEU 90 1HD2 LEU 90 -11.294 0.542 0.542 667 2HD2 LEU 90 3HD2 LEU 90 -9.929 1.564 1.564 668 3HD2 LEU 90 2HD2 LEU 90 -11.578 2.159 2.159 669 HA PRO 91 HA PRO 91 -15.686 -1.667 -1.667 670 1HB PRO 91 2HB PRO 91 -14.627 -3.224 -3.224 671 2HB PRO 91 1HB PRO 91 -14.693 -3.733 -3.733 672 1HG PRO 91 2HG PRO 91 -12.423 -2.566 -2.566 673 2HG PRO 91 1HG PRO 91 -12.422 -3.903 -3.903 674 1HD PRO 91 2HD PRO 91 -11.599 -1.425 -1.425 675 2HD PRO 91 1HD PRO 91 -12.427 -2.493 -2.493 676 HA PRO 92 HA PRO 92 -16.415 0.972 0.972 677 1HB PRO 92 2HB PRO 92 -18.122 -0.471 -0.471 678 2HB PRO 92 1HB PRO 92 -18.602 0.237 0.237 679 1HG PRO 92 2HG PRO 92 -17.852 -2.568 -2.568 680 2HG PRO 92 1HG PRO 92 -19.105 -1.961 -1.961 681 1HD PRO 92 2HD PRO 92 -16.692 -2.905 -2.905 682 2HD PRO 92 1HD PRO 92 -17.640 -1.691 -1.691 683 H ALA 93 H ALA 93 -14.888 -2.042 -2.042 684 HA ALA 93 HA ALA 93 -14.478 -1.558 -1.558 685 1HB ALA 93 3HB ALA 93 -14.791 -3.807 -3.807 686 2HB ALA 93 2HB ALA 93 -13.153 -3.592 -3.592 687 3HB ALA 93 1HB ALA 93 -13.430 -3.711 -3.711 688 H LEU 94 H LEU 94 -13.191 -0.191 -0.191 689 HA LEU 94 HA LEU 94 -10.412 -0.100 -0.100 690 1HB LEU 94 2HB LEU 94 -11.712 0.051 0.051 691 2HB LEU 94 1HB LEU 94 -10.277 1.051 1.051 692 HG LEU 94 HG LEU 94 -9.593 -1.121 -1.121 693 1HD1 LEU 94 1HD1 LEU 94 -8.739 0.003 0.003 694 2HD1 LEU 94 3HD1 LEU 94 -8.694 -1.752 -1.752 695 3HD1 LEU 94 2HD1 LEU 94 -7.804 -0.969 -0.969 696 1HD2 LEU 94 1HD2 LEU 94 -11.723 -2.024 -2.024 697 2HD2 LEU 94 3HD2 LEU 94 -10.743 -2.974 -2.974 698 3HD2 LEU 94 2HD2 LEU 94 -10.241 -2.800 -2.800 699 H VAL 95 H VAL 95 -13.220 1.709 1.709 700 HA VAL 95 HA VAL 95 -11.795 4.328 4.328 701 HB VAL 95 HB VAL 95 -14.738 3.622 3.622 702 1HG1 VAL 95 1HG1 VAL 95 -13.263 6.217 6.217 703 2HG1 VAL 95 3HG1 VAL 95 -14.981 6.002 6.002 704 3HG1 VAL 95 2HG1 VAL 95 -14.381 5.864 5.864 705 1HG2 VAL 95 1HG2 VAL 95 -12.837 3.854 3.854 706 2HG2 VAL 95 3HG2 VAL 95 -14.320 2.910 2.910 707 3HG2 VAL 95 2HG2 VAL 95 -14.401 4.636 4.636 708 HA PRO 96 HA PRO 96 -11.728 4.117 4.117 709 1HB PRO 96 2HB PRO 96 -10.358 6.470 6.470 710 2HB PRO 96 1HB PRO 96 -9.567 4.939 4.939 711 1HG PRO 96 2HG PRO 96 -10.343 7.225 7.225 712 2HG PRO 96 1HG PRO 96 -8.877 6.230 6.230 713 1HD PRO 96 2HD PRO 96 -10.921 5.871 5.871 714 2HD PRO 96 1HD PRO 96 -9.881 4.535 4.535 715 HA PRO 97 HA PRO 97 -14.963 6.863 6.863 716 1HB PRO 97 2HB PRO 97 -14.225 7.792 7.792 717 2HB PRO 97 1HB PRO 97 -14.765 6.125 6.125 718 1HG PRO 97 2HG PRO 97 -12.011 7.192 7.192 719 2HG PRO 97 1HG PRO 97 -12.708 5.664 5.664 720 1HD PRO 97 2HD PRO 97 -11.088 5.894 5.894 721 2HD PRO 97 1HD PRO 97 -12.288 4.602 4.602 722 H SER 98 H SER 98 -11.738 8.182 8.182 723 HA SER 98 HA SER 98 -12.302 10.930 10.930 724 1HB SER 98 2HB SER 98 -10.185 9.259 9.259 725 2HB SER 98 1HB SER 98 -10.308 10.748 10.748 726 HG SER 98 HG SER 98 -10.002 10.457 10.457 727 H LYS 99 H LYS 99 -13.085 8.900 8.900 728 HA LYS 99 HA LYS 99 -13.630 11.227 11.227 729 1HB LYS 99 2HB LYS 99 -12.583 8.792 8.792 730 2HB LYS 99 1HB LYS 99 -14.286 8.412 8.412 731 1HG LYS 99 2HG LYS 99 -14.016 10.808 10.808 732 2HG LYS 99 1HG LYS 99 -12.458 10.039 10.039 733 1HD LYS 99 2HD LYS 99 -14.236 7.954 7.954 734 2HD LYS 99 1HD LYS 99 -15.116 9.334 9.334 735 1HE LYS 99 2HE LYS 99 -12.369 9.496 9.496 736 2HE LYS 99 1HE LYS 99 -13.015 7.893 7.893 737 1HZ LYS 99 3HZ LYS 99 -14.706 10.257 10.257 738 2HZ LYS 99 2HZ LYS 99 -13.493 9.916 9.916 739 3HZ LYS 99 1HZ LYS 99 -14.710 8.774 8.774 740 H ARG 100 H ARG 100 -15.201 10.043 10.043 741 HA ARG 100 HA ARG 100 -17.822 9.371 9.371 742 1HB ARG 100 2HB ARG 100 -16.828 10.260 10.260 743 2HB ARG 100 1HB ARG 100 -18.448 9.634 9.634 744 1HG ARG 100 2HG ARG 100 -16.029 8.059 8.059 745 2HG ARG 100 1HG ARG 100 -16.602 7.977 7.977 746 1HD ARG 100 2HD ARG 100 -18.630 6.970 6.970 747 2HD ARG 100 1HD ARG 100 -18.550 7.587 7.587 748 HE ARG 100 HE ARG 100 -16.490 6.039 6.039 749 1HH1 ARG 100 1HH2 ARG 100 -18.072 5.462 5.462 750 2HH1 ARG 100 2HH2 ARG 100 -18.316 3.768 3.768 751 1HH2 ARG 100 2HH1 ARG 100 -17.248 3.855 3.855 752 2HH2 ARG 100 1HH1 ARG 100 -17.850 2.858 2.858 Start of MODEL 16 1 HA PRO 6 HA PRO 6 -14.334 -2.931 -2.931 2 1HB PRO 6 2HB PRO 6 -12.052 -4.431 -4.431 3 2HB PRO 6 1HB PRO 6 -13.352 -4.561 -4.561 4 1HG PRO 6 2HG PRO 6 -12.685 -6.352 -6.352 5 2HG PRO 6 1HG PRO 6 -13.342 -6.741 -6.741 6 1HD PRO 6 2HD PRO 6 -14.820 -6.610 -6.610 7 2HD PRO 6 1HD PRO 6 -15.490 -6.480 -6.480 8 H TRP 7 H TRP 7 -11.752 -2.541 -2.541 9 HA TRP 7 HA TRP 7 -11.895 -1.891 -1.891 10 1HB TRP 7 2HB TRP 7 -11.342 -0.188 -0.188 11 2HB TRP 7 1HB TRP 7 -9.985 -1.167 -1.167 12 HD1 TRP 7 HD1 TRP 7 -10.572 -1.091 -1.091 13 HE1 TRP 7 HE1 TRP 7 -8.724 0.309 0.309 14 HE3 TRP 7 HE3 TRP 7 -8.373 0.962 0.962 15 HZ2 TRP 7 HZ2 TRP 7 -6.597 2.068 2.068 16 HZ3 TRP 7 HZ3 TRP 7 -6.440 2.495 2.495 17 HH2 TRP 7 HH2 TRP 7 -5.549 3.049 3.049 18 H ALA 8 H ALA 8 -10.677 -3.034 -3.034 19 HA ALA 8 HA ALA 8 -9.453 -5.491 -5.491 20 1HB ALA 8 1HB ALA 8 -8.795 -3.291 -3.291 21 2HB ALA 8 3HB ALA 8 -8.205 -4.947 -4.947 22 3HB ALA 8 2HB ALA 8 -9.934 -4.616 -4.616 23 H VAL 9 H VAL 9 -8.108 -2.278 -2.278 24 HA VAL 9 HA VAL 9 -5.463 -3.459 -3.459 25 HB VAL 9 HB VAL 9 -6.458 -0.645 -0.645 26 1HG1 VAL 9 2HG1 VAL 9 -4.415 -1.206 -1.206 27 2HG1 VAL 9 1HG1 VAL 9 -3.552 -1.213 -1.213 28 3HG1 VAL 9 3HG1 VAL 9 -4.447 0.220 0.220 29 1HG2 VAL 9 1HG2 VAL 9 -5.036 -2.753 -2.753 30 2HG2 VAL 9 3HG2 VAL 9 -6.215 -1.559 -1.559 31 3HG2 VAL 9 2HG2 VAL 9 -4.542 -1.080 -1.080 32 H LYS 10 H LYS 10 -4.575 -3.054 -3.054 33 HA LYS 10 HA LYS 10 -6.486 -1.964 -1.964 34 1HB LYS 10 2HB LYS 10 -5.133 -3.783 -3.783 35 2HB LYS 10 1HB LYS 10 -6.556 -4.225 -4.225 36 1HG LYS 10 2HG LYS 10 -4.914 -4.743 -4.743 37 2HG LYS 10 1HG LYS 10 -3.648 -4.653 -4.653 38 1HD LYS 10 2HD LYS 10 -5.955 -6.588 -6.588 39 2HD LYS 10 1HD LYS 10 -4.233 -6.945 -6.945 40 1HE LYS 10 2HE LYS 10 -4.608 -7.250 -7.250 41 2HE LYS 10 1HE LYS 10 -4.724 -5.482 -5.482 42 1HZ LYS 10 1HZ LYS 10 -7.030 -7.088 -7.088 43 2HZ LYS 10 3HZ LYS 10 -6.731 -6.883 -6.883 44 3HZ LYS 10 2HZ LYS 10 -7.014 -5.528 -5.528 45 HA PRO 11 HA PRO 11 -3.264 0.554 0.554 46 1HB PRO 11 2HB PRO 11 -3.087 -0.076 -0.076 47 2HB PRO 11 1HB PRO 11 -4.394 0.908 0.908 48 1HG PRO 11 2HG PRO 11 -4.367 -2.009 -2.009 49 2HG PRO 11 1HG PRO 11 -5.624 -0.796 -0.796 50 1HD PRO 11 2HD PRO 11 -5.841 -2.493 -2.493 51 2HD PRO 11 1HD PRO 11 -6.368 -0.802 -0.802 52 H GLU 12 H GLU 12 -2.995 -2.852 -2.852 53 HA GLU 12 HA GLU 12 -0.146 -2.756 -2.756 54 1HB GLU 12 2HB GLU 12 -1.715 -5.183 -5.183 55 2HB GLU 12 1HB GLU 12 -0.402 -5.095 -5.095 56 1HG GLU 12 2HG GLU 12 -2.025 -3.555 -3.555 57 2HG GLU 12 1HG GLU 12 -3.276 -4.271 -4.271 58 H ASP 13 H ASP 13 -2.128 -3.469 -3.469 59 HA ASP 13 HA ASP 13 0.184 -4.226 -4.226 60 1HB ASP 13 2HB ASP 13 -2.254 -5.081 -5.081 61 2HB ASP 13 1HB ASP 13 -2.636 -3.539 -3.539 62 H LYS 14 H LYS 14 -2.048 -1.498 -1.498 63 HA LYS 14 HA LYS 14 -0.857 0.122 0.122 64 1HB LYS 14 2HB LYS 14 -3.164 0.372 0.372 65 2HB LYS 14 1HB LYS 14 -2.452 0.894 0.894 66 1HG LYS 14 2HG LYS 14 -1.236 2.459 2.459 67 2HG LYS 14 1HG LYS 14 -2.967 2.454 2.454 68 1HD LYS 14 2HD LYS 14 -2.796 2.755 2.755 69 2HD LYS 14 1HD LYS 14 -1.522 3.793 3.793 70 1HE LYS 14 2HE LYS 14 -3.041 5.300 5.300 71 2HE LYS 14 1HE LYS 14 -3.965 4.031 4.031 72 1HZ LYS 14 3HZ LYS 14 -4.750 3.343 3.343 73 2HZ LYS 14 2HZ LYS 14 -4.097 4.794 4.794 74 3HZ LYS 14 1HZ LYS 14 -5.353 4.830 4.830 75 H ALA 15 H ALA 15 0.055 -0.791 -0.791 76 HA ALA 15 HA ALA 15 1.577 1.525 1.525 77 1HB ALA 15 3HB ALA 15 1.482 -1.415 -1.415 78 2HB ALA 15 2HB ALA 15 2.749 -0.401 -0.401 79 3HB ALA 15 1HB ALA 15 1.054 -0.042 -0.042 80 H LYS 16 H LYS 16 2.325 -1.449 -1.449 81 HA LYS 16 HA LYS 16 5.129 -0.739 -0.739 82 1HB LYS 16 2HB LYS 16 5.216 -2.894 -2.894 83 2HB LYS 16 1HB LYS 16 3.595 -3.019 -3.019 84 1HG LYS 16 2HG LYS 16 2.574 -2.598 -2.598 85 2HG LYS 16 1HG LYS 16 4.106 -2.112 -2.112 86 1HD LYS 16 2HD LYS 16 3.800 -4.332 -4.332 87 2HD LYS 16 1HD LYS 16 4.917 -4.494 -4.494 88 1HE LYS 16 2HE LYS 16 3.246 -5.340 -5.340 89 2HE LYS 16 1HE LYS 16 1.932 -4.706 -4.706 90 1HZ LYS 16 1HZ LYS 16 3.248 -6.201 -6.201 91 2HZ LYS 16 3HZ LYS 16 3.551 -7.096 -7.096 92 3HZ LYS 16 2HZ LYS 16 1.950 -6.788 -6.788 93 H TYR 17 H TYR 17 2.074 -0.153 -0.153 94 HA TYR 17 HA TYR 17 3.095 0.690 0.690 95 1HB TYR 17 2HB TYR 17 0.528 1.242 1.242 96 2HB TYR 17 1HB TYR 17 0.771 1.631 1.631 97 HD1 TYR 17 HD1 TYR 17 2.650 -1.243 -1.243 98 HD2 TYR 17 HD2 TYR 17 -1.436 0.035 0.035 99 HE1 TYR 17 HE1 TYR 17 1.981 -3.543 -3.543 100 HE2 TYR 17 HE2 TYR 17 -2.110 -2.264 -2.264 101 HH TYR 17 HH TYR 17 0.318 -4.877 -4.877 102 H ASP 18 H ASP 18 2.404 2.212 2.212 103 HA ASP 18 HA ASP 18 2.747 4.959 4.959 104 1HB ASP 18 2HB ASP 18 1.866 3.538 3.538 105 2HB ASP 18 1HB ASP 18 3.290 4.420 4.420 106 H ALA 19 H ALA 19 4.899 2.386 2.386 107 HA ALA 19 HA ALA 19 7.182 4.107 4.107 108 1HB ALA 19 3HB ALA 19 6.498 1.214 1.214 109 2HB ALA 19 2HB ALA 19 8.189 1.626 1.626 110 3HB ALA 19 1HB ALA 19 7.418 2.062 2.062 111 H ILE 20 H ILE 20 5.881 2.270 2.270 112 HA ILE 20 HA ILE 20 8.096 2.758 2.758 113 HB ILE 20 HB ILE 20 5.271 1.689 1.689 114 1HG1 ILE 20 2HG1 ILE 20 7.796 0.335 0.335 115 2HG1 ILE 20 1HG1 ILE 20 7.368 0.372 0.372 116 1HG2 ILE 20 2HG2 ILE 20 7.094 2.126 2.126 117 2HG2 ILE 20 1HG2 ILE 20 5.592 1.202 1.202 118 3HG2 ILE 20 3HG2 ILE 20 5.554 2.932 2.932 119 1HD1 ILE 20 1HD1 ILE 20 5.078 -0.525 -0.525 120 2HD1 ILE 20 3HD1 ILE 20 5.769 -0.816 -0.816 121 3HD1 ILE 20 2HD1 ILE 20 6.424 -1.653 -1.653 122 H PHE 21 H PHE 21 4.967 4.139 4.139 123 HA PHE 21 HA PHE 21 4.823 6.062 6.062 124 1HB PHE 21 2HB PHE 21 2.746 5.723 5.723 125 2HB PHE 21 1HB PHE 21 3.415 5.279 5.279 126 HD1 PHE 21 HD2 PHE 21 4.437 7.226 7.226 127 HD2 PHE 21 HD1 PHE 21 1.673 7.789 7.789 128 HE1 PHE 21 HE2 PHE 21 3.832 9.452 9.452 129 HE2 PHE 21 HE1 PHE 21 1.063 10.017 10.017 130 HZ PHE 21 HZ PHE 21 2.148 10.847 10.847 131 H ASP 22 H ASP 22 6.153 6.021 6.021 132 HA ASP 22 HA ASP 22 6.859 8.883 8.883 133 1HB ASP 22 2HB ASP 22 6.047 7.831 7.831 134 2HB ASP 22 1HB ASP 22 7.351 6.643 6.643 135 H SER 23 H SER 23 8.154 6.067 6.067 136 HA SER 23 HA SER 23 10.997 6.671 6.671 137 1HB SER 23 2HB SER 23 9.354 4.584 4.584 138 2HB SER 23 1HB SER 23 11.056 4.734 4.734 139 HG SER 23 HG SER 23 10.108 3.433 3.433 140 H LEU 24 H LEU 24 8.550 7.593 7.593 141 HA LEU 24 HA LEU 24 10.436 8.368 8.368 142 1HB LEU 24 2HB LEU 24 7.452 8.787 8.787 143 2HB LEU 24 1HB LEU 24 8.487 8.457 8.457 144 HG LEU 24 HG LEU 24 8.089 6.421 6.421 145 1HD1 LEU 24 1HD1 LEU 24 6.326 7.082 7.082 146 2HD1 LEU 24 3HD1 LEU 24 6.402 5.439 5.439 147 3HD1 LEU 24 2HD1 LEU 24 5.857 6.760 6.760 148 1HD2 LEU 24 1HD2 LEU 24 9.950 6.152 6.152 149 2HD2 LEU 24 3HD2 LEU 24 8.745 4.869 4.869 150 3HD2 LEU 24 2HD2 LEU 24 8.758 6.188 6.188 151 H SER 25 H SER 25 8.875 9.540 9.540 152 HA SER 25 HA SER 25 9.082 11.711 11.711 153 1HB SER 25 2HB SER 25 10.861 11.930 11.930 154 2HB SER 25 1HB SER 25 9.610 12.946 12.946 155 HG SER 25 HG SER 25 11.290 13.428 13.428 156 HA PRO 26 HA PRO 26 4.843 12.162 12.162 157 1HB PRO 26 2HB PRO 26 3.825 12.691 12.691 158 2HB PRO 26 1HB PRO 26 4.159 11.046 11.046 159 1HG PRO 26 2HG PRO 26 5.720 12.752 12.752 160 2HG PRO 26 1HG PRO 26 5.471 11.001 11.001 161 1HD PRO 26 2HD PRO 26 7.757 12.247 12.247 162 2HD PRO 26 1HD PRO 26 7.238 10.622 10.622 163 H VAL 27 H VAL 27 3.617 14.013 14.013 164 HA VAL 27 HA VAL 27 4.838 16.588 16.588 165 HB VAL 27 HB VAL 27 3.339 15.868 15.868 166 1HG1 VAL 27 3HG1 VAL 27 3.686 18.368 18.368 167 2HG1 VAL 27 2HG1 VAL 27 4.894 18.317 18.317 168 3HG1 VAL 27 1HG1 VAL 27 3.190 18.076 18.076 169 1HG2 VAL 27 3HG2 VAL 27 5.650 14.903 14.903 170 2HG2 VAL 27 2HG2 VAL 27 5.509 16.050 16.050 171 3HG2 VAL 27 1HG2 VAL 27 6.269 16.545 16.545 172 H ASN 28 H ASN 28 3.501 17.259 17.259 173 HA ASN 28 HA ASN 28 1.520 17.918 17.918 174 1HB ASN 28 2HB ASN 28 1.238 19.417 19.417 175 2HB ASN 28 1HB ASN 28 0.888 18.114 18.114 176 1HD2 ASN 28 1HD2 ASN 28 -1.286 18.077 18.077 177 2HD2 ASN 28 2HD2 ASN 28 -2.564 18.463 18.463 178 H GLY 29 H GLY 29 2.042 15.005 15.005 179 1HA GLY 29 2HA GLY 29 0.872 13.061 13.061 180 2HA GLY 29 1HA GLY 29 -0.626 13.994 13.994 181 H PHE 30 H PHE 30 1.689 13.825 13.825 182 HA PHE 30 HA PHE 30 -0.108 12.032 12.032 183 1HB PHE 30 2HB PHE 30 0.523 14.919 14.919 184 2HB PHE 30 1HB PHE 30 -0.196 13.785 13.785 185 HD1 PHE 30 HD2 PHE 30 -2.406 12.769 12.769 186 HD2 PHE 30 HD1 PHE 30 -0.755 15.860 15.860 187 HE1 PHE 30 HE2 PHE 30 -4.655 13.191 13.191 188 HE2 PHE 30 HE1 PHE 30 -2.984 16.278 16.278 189 HZ PHE 30 HZ PHE 30 -4.944 14.948 14.948 190 H LEU 31 H LEU 31 0.881 11.346 11.346 191 HA LEU 31 HA LEU 31 3.827 11.883 11.883 192 1HB LEU 31 2HB LEU 31 2.302 9.272 9.272 193 2HB LEU 31 1HB LEU 31 3.923 9.429 9.429 194 HG LEU 31 HG LEU 31 3.320 10.306 10.306 195 1HD1 LEU 31 2HD1 LEU 31 4.145 7.557 7.557 196 2HD1 LEU 31 1HD1 LEU 31 4.209 8.076 8.076 197 3HD1 LEU 31 3HD1 LEU 31 2.658 7.965 7.965 198 1HD2 LEU 31 3HD2 LEU 31 5.712 9.855 9.855 199 2HD2 LEU 31 2HD2 LEU 31 5.423 11.102 11.102 200 3HD2 LEU 31 1HD2 LEU 31 5.869 9.467 9.467 201 H SER 32 H SER 32 4.334 12.517 12.517 202 HA SER 32 HA SER 32 2.239 12.646 12.646 203 1HB SER 32 2HB SER 32 3.778 14.012 14.012 204 2HB SER 32 1HB SER 32 4.201 14.257 14.257 205 HG SER 32 HG SER 32 5.679 13.242 13.242 206 H GLY 33 H GLY 33 2.017 11.376 11.376 207 1HA GLY 33 2HA GLY 33 2.781 8.725 8.725 208 2HA GLY 33 1HA GLY 33 2.520 9.686 9.686 209 H ASP 34 H ASP 34 4.756 11.518 11.518 210 HA ASP 34 HA ASP 34 6.872 10.251 10.251 211 1HB ASP 34 2HB ASP 34 6.305 12.734 12.734 212 2HB ASP 34 1HB ASP 34 7.227 12.476 12.476 213 H LYS 35 H LYS 35 5.848 9.827 9.827 214 HA LYS 35 HA LYS 35 8.524 8.726 8.726 215 1HB LYS 35 2HB LYS 35 6.237 9.585 9.585 216 2HB LYS 35 1HB LYS 35 7.931 9.357 9.357 217 1HG LYS 35 2HG LYS 35 8.607 11.264 11.264 218 2HG LYS 35 1HG LYS 35 7.000 11.413 11.413 219 1HD LYS 35 2HD LYS 35 7.312 13.077 13.077 220 2HD LYS 35 1HD LYS 35 6.061 11.913 11.913 221 1HE LYS 35 2HE LYS 35 7.359 11.989 11.989 222 2HE LYS 35 1HE LYS 35 8.080 10.610 10.610 223 1HZ LYS 35 3HZ LYS 35 9.358 12.670 12.670 224 2HZ LYS 35 2HZ LYS 35 9.149 13.271 13.271 225 3HZ LYS 35 1HZ LYS 35 9.964 11.802 11.802 226 H VAL 36 H VAL 36 5.050 8.239 8.239 227 HA VAL 36 HA VAL 36 5.183 5.550 5.550 228 HB VAL 36 HB VAL 36 3.021 7.169 7.169 229 1HG1 VAL 36 3HG1 VAL 36 2.979 4.486 4.486 230 2HG1 VAL 36 2HG1 VAL 36 2.359 4.957 4.957 231 3HG1 VAL 36 1HG1 VAL 36 1.530 5.482 5.482 232 1HG2 VAL 36 1HG2 VAL 36 4.233 7.291 7.291 233 2HG2 VAL 36 3HG2 VAL 36 2.948 8.299 8.299 234 3HG2 VAL 36 2HG2 VAL 36 2.549 6.794 6.794 235 H LYS 37 H LYS 37 4.809 7.054 7.054 236 HA LYS 37 HA LYS 37 4.050 4.864 4.864 237 1HB LYS 37 2HB LYS 37 4.440 7.228 7.228 238 2HB LYS 37 1HB LYS 37 6.176 6.923 6.923 239 1HG LYS 37 2HG LYS 37 6.147 5.774 5.774 240 2HG LYS 37 1HG LYS 37 4.694 4.883 4.883 241 1HD LYS 37 2HD LYS 37 3.345 6.300 6.300 242 2HD LYS 37 1HD LYS 37 4.180 7.724 7.724 243 1HE LYS 37 2HE LYS 37 5.255 7.965 7.965 244 2HE LYS 37 1HE LYS 37 5.936 6.333 6.333 245 1HZ LYS 37 3HZ LYS 37 3.159 6.895 6.895 246 2HZ LYS 37 2HZ LYS 37 4.447 6.597 6.597 247 3HZ LYS 37 1HZ LYS 37 3.941 5.390 5.390 248 HA PRO 38 HA PRO 38 8.642 3.442 3.442 249 1HB PRO 38 2HB PRO 38 10.256 4.285 4.285 250 2HB PRO 38 1HB PRO 38 10.143 5.136 5.136 251 1HG PRO 38 2HG PRO 38 8.819 5.755 5.755 252 2HG PRO 38 1HG PRO 38 9.554 6.855 6.855 253 1HD PRO 38 2HD PRO 38 6.894 6.504 6.504 254 2HD PRO 38 1HD PRO 38 7.702 6.846 6.846 255 H VAL 39 H VAL 39 7.077 4.098 4.098 256 HA VAL 39 HA VAL 39 7.971 1.692 1.692 257 HB VAL 39 HB VAL 39 5.995 3.918 3.918 258 1HG1 VAL 39 2HG1 VAL 39 4.796 1.795 1.795 259 2HG1 VAL 39 1HG1 VAL 39 6.062 1.513 1.513 260 3HG1 VAL 39 3HG1 VAL 39 5.021 2.929 2.929 261 1HG2 VAL 39 2HG2 VAL 39 8.592 3.408 3.408 262 2HG2 VAL 39 1HG2 VAL 39 7.517 4.637 4.637 263 3HG2 VAL 39 3HG2 VAL 39 7.629 3.051 3.051 264 H LEU 40 H LEU 40 5.761 2.258 2.258 265 HA LEU 40 HA LEU 40 4.087 -0.103 -0.103 266 1HB LEU 40 2HB LEU 40 3.915 2.033 2.033 267 2HB LEU 40 1HB LEU 40 2.751 0.726 0.726 268 HG LEU 40 HG LEU 40 3.399 2.808 2.808 269 1HD1 LEU 40 2HD1 LEU 40 1.387 2.617 2.617 270 2HD1 LEU 40 1HD1 LEU 40 0.747 3.060 3.060 271 3HD1 LEU 40 3HD1 LEU 40 2.009 4.041 4.041 272 1HD2 LEU 40 3HD2 LEU 40 1.451 0.486 0.486 273 2HD2 LEU 40 2HD2 LEU 40 2.780 0.725 0.725 274 3HD2 LEU 40 1HD2 LEU 40 1.372 1.786 1.786 275 H LEU 41 H LEU 41 6.753 0.886 0.886 276 HA LEU 41 HA LEU 41 6.464 -1.244 -1.244 277 1HB LEU 41 2HB LEU 41 8.687 0.738 0.738 278 2HB LEU 41 1HB LEU 41 8.458 -0.175 -0.175 279 HG LEU 41 HG LEU 41 6.205 1.525 1.525 280 1HD1 LEU 41 2HD1 LEU 41 8.785 2.559 2.559 281 2HD1 LEU 41 1HD1 LEU 41 7.957 2.945 2.945 282 3HD1 LEU 41 3HD1 LEU 41 7.283 3.482 3.482 283 1HD2 LEU 41 1HD2 LEU 41 7.337 0.757 0.757 284 2HD2 LEU 41 3HD2 LEU 41 5.865 0.130 0.130 285 3HD2 LEU 41 2HD2 LEU 41 5.944 1.814 1.814 286 H ASN 42 H ASN 42 8.490 -0.454 -0.454 287 HA ASN 42 HA ASN 42 10.389 -2.542 -2.542 288 1HB ASN 42 2HB ASN 42 10.850 -2.115 -2.115 289 2HB ASN 42 1HB ASN 42 10.351 -0.578 -0.578 290 1HD2 ASN 42 1HD2 ASN 42 8.115 0.141 0.141 291 2HD2 ASN 42 2HD2 ASN 42 7.282 -0.437 -0.437 292 H SER 43 H SER 43 7.022 -2.656 -2.656 293 HA SER 43 HA SER 43 6.970 -5.157 -5.157 294 1HB SER 43 2HB SER 43 4.652 -4.361 -4.361 295 2HB SER 43 1HB SER 43 4.742 -4.678 -4.678 296 HG SER 43 HG SER 43 4.566 -2.361 -2.361 297 H LYS 44 H LYS 44 7.849 -4.490 -4.490 298 HA LYS 44 HA LYS 44 8.244 -5.933 -5.933 299 1HB LYS 44 2HB LYS 44 7.989 -7.554 -7.554 300 2HB LYS 44 1HB LYS 44 7.184 -8.384 -8.384 301 1HG LYS 44 2HG LYS 44 9.570 -8.992 -8.992 302 2HG LYS 44 1HG LYS 44 9.207 -8.100 -8.100 303 1HD LYS 44 2HD LYS 44 10.096 -6.055 -6.055 304 2HD LYS 44 1HD LYS 44 10.278 -6.803 -6.803 305 1HE LYS 44 2HE LYS 44 11.644 -8.408 -8.408 306 2HE LYS 44 1HE LYS 44 12.211 -6.728 -6.728 307 1HZ LYS 44 3HZ LYS 44 12.114 -6.908 -6.908 308 2HZ LYS 44 2HZ LYS 44 12.224 -8.579 -8.579 309 3HZ LYS 44 1HZ LYS 44 13.452 -7.539 -7.539 310 H LEU 45 H LEU 45 5.430 -4.796 -4.796 311 HA LEU 45 HA LEU 45 3.628 -6.582 -6.582 312 1HB LEU 45 2HB LEU 45 3.413 -4.220 -4.220 313 2HB LEU 45 1HB LEU 45 2.064 -4.568 -4.568 314 HG LEU 45 HG LEU 45 3.305 -6.596 -6.596 315 1HD1 LEU 45 2HD1 LEU 45 1.739 -4.429 -4.429 316 2HD1 LEU 45 1HD1 LEU 45 0.550 -5.712 -5.712 317 3HD1 LEU 45 3HD1 LEU 45 1.880 -5.923 -5.923 318 1HD2 LEU 45 2HD2 LEU 45 1.917 -7.115 -7.115 319 2HD2 LEU 45 1HD2 LEU 45 1.761 -8.105 -8.105 320 3HD2 LEU 45 3HD2 LEU 45 0.568 -6.854 -6.854 321 HA PRO 46 HA PRO 46 3.871 -4.191 -4.191 322 1HB PRO 46 2HB PRO 46 1.358 -4.590 -4.590 323 2HB PRO 46 1HB PRO 46 2.626 -5.830 -5.830 324 1HG PRO 46 2HG PRO 46 0.277 -5.551 -5.551 325 2HG PRO 46 1HG PRO 46 1.068 -7.008 -7.008 326 1HD PRO 46 2HD PRO 46 1.394 -6.001 -6.001 327 2HD PRO 46 1HD PRO 46 2.541 -7.084 -7.084 328 H VAL 47 H VAL 47 3.154 -2.160 -2.160 329 HA VAL 47 HA VAL 47 2.345 -0.167 -0.167 330 HB VAL 47 HB VAL 47 2.515 -0.414 -0.414 331 1HG1 VAL 47 2HG1 VAL 47 1.617 2.033 2.033 332 2HG1 VAL 47 1HG1 VAL 47 2.060 2.030 2.030 333 3HG1 VAL 47 3HG1 VAL 47 0.646 1.129 1.129 334 1HG2 VAL 47 1HG2 VAL 47 4.012 1.011 1.011 335 2HG2 VAL 47 3HG2 VAL 47 4.628 -0.184 -0.184 336 3HG2 VAL 47 2HG2 VAL 47 4.236 1.443 1.443 337 H ASP 48 H ASP 48 0.387 -2.538 -2.538 338 HA ASP 48 HA ASP 48 -2.052 -0.994 -0.994 339 1HB ASP 48 2HB ASP 48 -1.069 -3.613 -3.613 340 2HB ASP 48 1HB ASP 48 -2.498 -3.767 -3.767 341 H ILE 49 H ILE 49 -0.561 -3.052 -3.052 342 HA ILE 49 HA ILE 49 -2.713 -2.976 -2.976 343 HB ILE 49 HB ILE 49 0.269 -3.117 -3.117 344 1HG1 ILE 49 2HG1 ILE 49 -0.208 -4.708 -4.708 345 2HG1 ILE 49 1HG1 ILE 49 -0.003 -5.590 -5.590 346 1HG2 ILE 49 2HG2 ILE 49 -2.155 -3.505 -3.505 347 2HG2 ILE 49 1HG2 ILE 49 -1.122 -4.934 -4.934 348 3HG2 ILE 49 3HG2 ILE 49 -0.483 -3.369 -3.369 349 1HD1 ILE 49 1HD1 ILE 49 -2.717 -4.728 -4.728 350 2HD1 ILE 49 3HD1 ILE 49 -2.001 -6.287 -6.287 351 3HD1 ILE 49 2HD1 ILE 49 -2.353 -5.893 -5.893 352 H LEU 50 H LEU 50 0.186 -1.065 -1.065 353 HA LEU 50 HA LEU 50 -0.116 0.796 0.796 354 1HB LEU 50 2HB LEU 50 1.117 1.341 1.341 355 2HB LEU 50 1HB LEU 50 1.636 1.955 1.955 356 HG LEU 50 HG LEU 50 2.019 -0.781 -0.781 357 1HD1 LEU 50 2HD1 LEU 50 3.657 1.449 1.449 358 2HD1 LEU 50 1HD1 LEU 50 4.233 -0.173 -0.173 359 3HD1 LEU 50 3HD1 LEU 50 4.009 0.310 0.310 360 1HD2 LEU 50 1HD2 LEU 50 1.392 -0.152 -0.152 361 2HD2 LEU 50 3HD2 LEU 50 1.359 -1.702 -1.702 362 3HD2 LEU 50 2HD2 LEU 50 2.881 -1.067 -1.067 363 H GLY 51 H GLY 51 -1.867 0.366 0.366 364 1HA GLY 51 2HA GLY 51 -2.699 3.182 3.182 365 2HA GLY 51 1HA GLY 51 -3.306 1.840 1.840 366 H ARG 52 H ARG 52 -3.928 0.116 0.116 367 HA ARG 52 HA ARG 52 -6.459 1.388 1.388 368 1HB ARG 52 2HB ARG 52 -5.333 -1.354 -1.354 369 2HB ARG 52 1HB ARG 52 -6.609 -1.137 -1.137 370 1HG ARG 52 2HG ARG 52 -8.192 -0.532 -0.532 371 2HG ARG 52 1HG ARG 52 -6.974 0.030 0.030 372 1HD ARG 52 2HD ARG 52 -6.903 -2.870 -2.870 373 2HD ARG 52 1HD ARG 52 -8.228 -2.323 -2.323 374 HE ARG 52 HE ARG 52 -5.336 -2.146 -2.146 375 1HH1 ARG 52 1HH2 ARG 52 -6.805 0.329 0.329 376 2HH1 ARG 52 2HH2 ARG 52 -7.300 -0.105 -0.105 377 1HH2 ARG 52 2HH1 ARG 52 -6.761 -3.495 -3.495 378 2HH2 ARG 52 1HH1 ARG 52 -7.275 -2.266 -2.266 379 H VAL 53 H VAL 53 -3.798 -0.483 -0.483 380 HA VAL 53 HA VAL 53 -4.453 -0.311 -0.311 381 HB VAL 53 HB VAL 53 -1.843 -0.048 -0.048 382 1HG1 VAL 53 3HG1 VAL 53 -1.727 1.105 1.105 383 2HG1 VAL 53 2HG1 VAL 53 -2.142 -0.441 -0.441 384 3HG1 VAL 53 1HG1 VAL 53 -0.641 -0.271 -0.271 385 1HG2 VAL 53 3HG2 VAL 53 -3.198 -2.181 -2.181 386 2HG2 VAL 53 2HG2 VAL 53 -1.569 -2.351 -2.351 387 3HG2 VAL 53 1HG2 VAL 53 -2.955 -2.257 -2.257 388 H TRP 54 H TRP 54 -2.698 2.229 2.229 389 HA TRP 54 HA TRP 54 -2.658 4.122 4.122 390 1HB TRP 54 2HB TRP 54 -1.147 4.393 4.393 391 2HB TRP 54 1HB TRP 54 -2.471 4.364 4.364 392 HD1 TRP 54 HD1 TRP 54 -4.276 6.459 6.459 393 HE1 TRP 54 HE1 TRP 54 -3.830 8.933 8.933 394 HE3 TRP 54 HE3 TRP 54 0.284 6.003 6.003 395 HZ2 TRP 54 HZ2 TRP 54 -1.791 10.502 10.502 396 HZ3 TRP 54 HZ3 TRP 54 1.452 7.991 7.991 397 HH2 TRP 54 HH2 TRP 54 0.426 10.241 10.241 398 H GLU 55 H GLU 55 -4.702 4.080 4.080 399 HA GLU 55 HA GLU 55 -6.423 6.183 6.183 400 1HB GLU 55 2HB GLU 55 -7.501 5.551 5.551 401 2HB GLU 55 1HB GLU 55 -6.115 4.481 4.481 402 1HG GLU 55 2HG GLU 55 -7.317 2.646 2.646 403 2HG GLU 55 1HG GLU 55 -8.670 3.698 3.698 404 H LEU 56 H LEU 56 -6.528 2.761 2.761 405 HA LEU 56 HA LEU 56 -9.006 3.001 3.001 406 1HB LEU 56 2HB LEU 56 -6.899 0.833 0.833 407 2HB LEU 56 1HB LEU 56 -8.428 0.608 0.608 408 HG LEU 56 HG LEU 56 -8.145 1.422 1.422 409 1HD1 LEU 56 1HD1 LEU 56 -7.503 -0.949 -0.949 410 2HD1 LEU 56 3HD1 LEU 56 -9.131 -1.188 -1.188 411 3HD1 LEU 56 2HD1 LEU 56 -8.895 -0.814 -0.814 412 1HD2 LEU 56 1HD2 LEU 56 -10.456 1.147 1.147 413 2HD2 LEU 56 3HD2 LEU 56 -10.215 2.297 2.297 414 3HD2 LEU 56 2HD2 LEU 56 -10.692 0.638 0.638 415 H SER 57 H SER 57 -5.655 3.573 3.573 416 HA SER 57 HA SER 57 -5.826 3.224 3.224 417 1HB SER 57 2HB SER 57 -3.657 3.695 3.695 418 2HB SER 57 1HB SER 57 -3.346 3.913 3.913 419 HG SER 57 HG SER 57 -4.103 1.585 1.585 420 H ASP 58 H ASP 58 -5.403 5.695 5.695 421 HA ASP 58 HA ASP 58 -4.937 7.886 7.886 422 1HB ASP 58 2HB ASP 58 -4.373 7.512 7.512 423 2HB ASP 58 1HB ASP 58 -5.991 8.172 8.172 424 H ILE 59 H ILE 59 -6.903 7.059 7.059 425 HA ILE 59 HA ILE 59 -9.540 7.029 7.029 426 HB ILE 59 HB ILE 59 -8.141 8.595 8.595 427 1HG1 ILE 59 2HG1 ILE 59 -7.526 6.215 6.215 428 2HG1 ILE 59 1HG1 ILE 59 -8.557 6.514 6.514 429 1HG2 ILE 59 1HG2 ILE 59 -11.017 7.914 7.914 430 2HG2 ILE 59 3HG2 ILE 59 -10.417 7.889 7.889 431 3HG2 ILE 59 2HG2 ILE 59 -10.314 9.369 9.369 432 1HD1 ILE 59 1HD1 ILE 59 -10.526 5.860 5.860 433 2HD1 ILE 59 3HD1 ILE 59 -9.306 5.225 5.225 434 3HD1 ILE 59 2HD1 ILE 59 -9.458 4.557 4.557 435 H ASP 60 H ASP 60 -7.536 9.941 9.941 436 HA ASP 60 HA ASP 60 -9.969 11.523 11.523 437 1HB ASP 60 2HB ASP 60 -8.714 13.422 13.422 438 2HB ASP 60 1HB ASP 60 -8.335 12.159 12.159 439 H HIS 61 H HIS 61 -7.142 10.110 10.110 440 HA HIS 61 HA HIS 61 -6.337 10.207 10.207 441 1HB HIS 61 2HB HIS 61 -8.770 11.653 11.653 442 2HB HIS 61 1HB HIS 61 -8.048 10.176 10.176 443 HD1 HIS 61 HD1 HIS 61 -10.934 11.311 11.311 444 HD2 HIS 61 HD2 HIS 61 -8.546 7.905 7.905 445 HE1 HIS 61 HE1 HIS 61 -12.305 9.548 9.548 446 H ASP 62 H ASP 62 -5.940 12.498 12.498 447 HA ASP 62 HA ASP 62 -6.122 14.920 14.920 448 1HB ASP 62 2HB ASP 62 -5.456 15.987 15.987 449 2HB ASP 62 1HB ASP 62 -6.384 14.592 14.592 450 H GLY 63 H GLY 63 -3.925 12.335 12.335 451 1HA GLY 63 2HA GLY 63 -2.078 12.306 12.306 452 2HA GLY 63 1HA GLY 63 -1.758 13.981 13.981 453 H MET 64 H MET 64 -2.622 12.291 12.291 454 HA MET 64 HA MET 64 0.096 11.283 11.283 455 1HB MET 64 2HB MET 64 -1.094 13.151 13.151 456 2HB MET 64 1HB MET 64 0.600 12.850 12.850 457 1HG MET 64 2HG MET 64 0.185 14.031 14.031 458 2HG MET 64 1HG MET 64 -1.373 14.528 14.528 459 1HE MET 64 3HE MET 64 2.294 14.204 14.204 460 2HE MET 64 2HE MET 64 2.802 15.537 15.537 461 3HE MET 64 1HE MET 64 1.983 14.146 14.146 462 H LEU 65 H LEU 65 0.123 10.039 10.039 463 HA LEU 65 HA LEU 65 -2.621 9.049 9.049 464 1HB LEU 65 2HB LEU 65 0.117 7.718 7.718 465 2HB LEU 65 1HB LEU 65 -1.349 6.945 6.945 466 HG LEU 65 HG LEU 65 -1.352 8.134 8.134 467 1HD1 LEU 65 2HD1 LEU 65 0.257 5.840 5.840 468 2HD1 LEU 65 1HD1 LEU 65 -0.781 5.484 5.484 469 3HD1 LEU 65 3HD1 LEU 65 0.404 6.787 6.787 470 1HD2 LEU 65 3HD2 LEU 65 -3.387 7.202 7.202 471 2HD2 LEU 65 2HD2 LEU 65 -3.071 6.504 6.504 472 3HD2 LEU 65 1HD2 LEU 65 -2.627 5.617 5.617 473 H ASP 66 H ASP 66 -3.154 9.871 9.871 474 HA ASP 66 HA ASP 66 -1.190 10.896 10.896 475 1HB ASP 66 2HB ASP 66 -3.377 11.797 11.797 476 2HB ASP 66 1HB ASP 66 -4.123 10.203 10.203 477 H ARG 67 H ARG 67 -1.130 10.007 10.007 478 HA ARG 67 HA ARG 67 0.111 7.531 7.531 479 1HB ARG 67 2HB ARG 67 -0.377 7.699 7.699 480 2HB ARG 67 1HB ARG 67 -0.099 9.320 9.320 481 1HG ARG 67 2HG ARG 67 -2.637 9.459 9.459 482 2HG ARG 67 1HG ARG 67 -2.736 8.021 8.021 483 1HD ARG 67 2HD ARG 67 -1.418 10.641 10.641 484 2HD ARG 67 1HD ARG 67 -2.987 10.053 10.053 485 HE ARG 67 HE ARG 67 -0.598 8.307 8.307 486 1HH1 ARG 67 1HH2 ARG 67 -1.378 10.898 10.898 487 2HH1 ARG 67 2HH2 ARG 67 -1.950 10.086 10.086 488 1HH2 ARG 67 2HH1 ARG 67 -2.079 6.970 6.970 489 2HH2 ARG 67 1HH1 ARG 67 -2.345 7.861 7.861 490 H ASP 68 H ASP 68 -3.381 8.165 8.165 491 HA ASP 68 HA ASP 68 -4.032 5.356 5.356 492 1HB ASP 68 2HB ASP 68 -5.277 7.973 7.973 493 2HB ASP 68 1HB ASP 68 -6.305 6.820 6.820 494 H GLU 69 H GLU 69 -4.003 7.554 7.554 495 HA GLU 69 HA GLU 69 -5.368 5.700 5.700 496 1HB GLU 69 2HB GLU 69 -3.529 8.050 8.050 497 2HB GLU 69 1HB GLU 69 -4.711 7.359 7.359 498 1HG GLU 69 2HG GLU 69 -6.478 7.878 7.878 499 2HG GLU 69 1HG GLU 69 -5.245 8.833 8.833 500 H PHE 70 H PHE 70 -1.979 6.608 6.608 501 HA PHE 70 HA PHE 70 -0.758 4.956 4.956 502 1HB PHE 70 2HB PHE 70 0.219 6.823 6.823 503 2HB PHE 70 1HB PHE 70 0.286 5.665 5.665 504 HD1 PHE 70 HD2 PHE 70 1.544 3.439 3.439 505 HD2 PHE 70 HD1 PHE 70 1.938 6.913 6.913 506 HE1 PHE 70 HE2 PHE 70 3.679 2.552 2.552 507 HE2 PHE 70 HE1 PHE 70 4.067 6.026 6.026 508 HZ PHE 70 HZ PHE 70 4.934 3.850 3.850 509 H ALA 71 H ALA 71 -2.275 4.229 4.229 510 HA ALA 71 HA ALA 71 -0.969 1.673 1.673 511 1HB ALA 71 1HB ALA 71 -2.311 3.285 3.285 512 2HB ALA 71 3HB ALA 71 -3.734 2.469 2.469 513 3HB ALA 71 2HB ALA 71 -2.512 1.547 1.547 514 H VAL 72 H VAL 72 -3.984 2.716 2.716 515 HA VAL 72 HA VAL 72 -5.064 0.126 0.126 516 HB VAL 72 HB VAL 72 -5.288 2.772 2.772 517 1HG1 VAL 72 2HG1 VAL 72 -6.248 0.286 0.286 518 2HG1 VAL 72 1HG1 VAL 72 -7.621 1.000 1.000 519 3HG1 VAL 72 3HG1 VAL 72 -6.902 1.837 1.837 520 1HG2 VAL 72 1HG2 VAL 72 -5.795 2.743 2.743 521 2HG2 VAL 72 3HG2 VAL 72 -7.104 3.302 3.302 522 3HG2 VAL 72 2HG2 VAL 72 -7.139 1.667 1.667 523 H ALA 73 H ALA 73 -2.586 2.078 2.078 524 HA ALA 73 HA ALA 73 -2.495 0.402 0.402 525 1HB ALA 73 2HB ALA 73 -1.914 3.041 3.041 526 2HB ALA 73 1HB ALA 73 -0.342 2.309 2.309 527 3HB ALA 73 3HB ALA 73 -1.603 2.302 2.302 528 H MET 74 H MET 74 -1.235 0.185 0.185 529 HA MET 74 HA MET 74 1.407 -0.890 -0.890 530 1HB MET 74 2HB MET 74 -0.187 -0.340 -0.340 531 2HB MET 74 1HB MET 74 1.181 -1.448 -1.448 532 1HG MET 74 2HG MET 74 1.476 1.238 1.238 533 2HG MET 74 1HG MET 74 1.625 1.074 1.074 534 1HE MET 74 2HE MET 74 2.821 0.990 0.990 535 2HE MET 74 1HE MET 74 4.534 0.574 0.574 536 3HE MET 74 3HE MET 74 3.322 -0.684 -0.684 537 H PHE 75 H PHE 75 -1.589 -2.175 -2.175 538 HA PHE 75 HA PHE 75 -0.688 -4.938 -4.938 539 1HB PHE 75 2HB PHE 75 -2.727 -5.390 -5.390 540 2HB PHE 75 1HB PHE 75 -2.502 -3.701 -3.701 541 HD1 PHE 75 HD1 PHE 75 -4.216 -5.974 -5.974 542 HD2 PHE 75 HD2 PHE 75 -3.951 -1.990 -1.990 543 HE1 PHE 75 HE1 PHE 75 -6.321 -5.379 -5.379 544 HE2 PHE 75 HE2 PHE 75 -6.053 -1.392 -1.392 545 HZ PHE 75 HZ PHE 75 -7.240 -3.091 -3.091 546 H LEU 76 H LEU 76 -2.484 -2.644 -2.644 547 HA LEU 76 HA LEU 76 -3.586 -4.381 -4.381 548 1HB LEU 76 2HB LEU 76 -2.809 -1.513 -1.513 549 2HB LEU 76 1HB LEU 76 -3.130 -2.092 -2.092 550 HG LEU 76 HG LEU 76 -5.010 -2.206 -2.206 551 1HD1 LEU 76 2HD1 LEU 76 -4.727 -0.518 -0.518 552 2HD1 LEU 76 1HD1 LEU 76 -6.366 -0.986 -0.986 553 3HD1 LEU 76 3HD1 LEU 76 -5.360 -0.099 -0.099 554 1HD2 LEU 76 1HD2 LEU 76 -4.956 -3.671 -3.671 555 2HD2 LEU 76 3HD2 LEU 76 -5.668 -4.144 -4.144 556 3HD2 LEU 76 2HD2 LEU 76 -6.513 -3.005 -3.005 557 H VAL 77 H VAL 77 -0.406 -3.009 -3.009 558 HA VAL 77 HA VAL 77 0.625 -4.002 -4.002 559 HB VAL 77 HB VAL 77 1.709 -2.389 -2.389 560 1HG1 VAL 77 3HG1 VAL 77 3.147 -3.880 -3.880 561 2HG1 VAL 77 2HG1 VAL 77 3.514 -2.156 -2.156 562 3HG1 VAL 77 1HG1 VAL 77 3.772 -3.075 -3.075 563 1HG2 VAL 77 3HG2 VAL 77 0.101 -1.560 -1.560 564 2HG2 VAL 77 2HG2 VAL 77 1.411 -0.544 -0.544 565 3HG2 VAL 77 1HG2 VAL 77 1.624 -1.469 -1.469 566 H TYR 78 H TYR 78 1.094 -4.556 -4.556 567 HA TYR 78 HA TYR 78 3.109 -6.603 -6.603 568 1HB TYR 78 2HB TYR 78 1.632 -5.261 -5.261 569 2HB TYR 78 1HB TYR 78 2.022 -6.944 -6.944 570 HD1 TYR 78 HD2 TYR 78 4.513 -7.514 -7.514 571 HD2 TYR 78 HD1 TYR 78 3.204 -3.812 -3.812 572 HE1 TYR 78 HE2 TYR 78 6.876 -6.876 -6.876 573 HE2 TYR 78 HE1 TYR 78 5.557 -3.173 -3.173 574 HH TYR 78 HH TYR 78 7.771 -4.443 -4.443 575 H CYS 79 H CYS 79 -0.408 -6.671 -6.671 576 HA CYS 79 HA CYS 79 -0.478 -9.583 -9.583 577 1HB CYS 79 2HB CYS 79 -2.655 -7.497 -7.497 578 2HB CYS 79 1HB CYS 79 -2.924 -9.174 -9.174 579 HG CYS 79 HG CYS 79 -1.205 -7.354 -7.354 580 H ALA 80 H ALA 80 -0.320 -7.248 -7.248 581 HA ALA 80 HA ALA 80 -1.712 -8.854 -8.854 582 1HB ALA 80 2HB ALA 80 0.217 -6.508 -6.508 583 2HB ALA 80 1HB ALA 80 -0.664 -7.142 -7.142 584 3HB ALA 80 3HB ALA 80 -1.544 -6.414 -6.414 585 H LEU 81 H LEU 81 1.259 -8.939 -8.939 586 HA LEU 81 HA LEU 81 2.795 -10.198 -10.198 587 1HB LEU 81 2HB LEU 81 3.565 -9.933 -9.933 588 2HB LEU 81 1HB LEU 81 4.618 -9.907 -9.907 589 HG LEU 81 HG LEU 81 2.778 -7.759 -7.759 590 1HD1 LEU 81 3HD1 LEU 81 5.263 -8.025 -8.025 591 2HD1 LEU 81 2HD1 LEU 81 5.610 -7.519 -7.519 592 3HD1 LEU 81 1HD1 LEU 81 4.737 -6.439 -6.439 593 1HD2 LEU 81 3HD2 LEU 81 3.789 -8.232 -8.232 594 2HD2 LEU 81 2HD2 LEU 81 2.198 -7.677 -7.677 595 3HD2 LEU 81 1HD2 LEU 81 3.580 -6.582 -6.582 596 H GLU 82 H GLU 82 1.675 -11.028 -11.028 597 HA GLU 82 HA GLU 82 1.684 -13.917 -13.917 598 1HB GLU 82 2HB GLU 82 2.348 -13.188 -13.188 599 2HB GLU 82 1HB GLU 82 3.032 -14.452 -14.452 600 1HG GLU 82 2HG GLU 82 4.117 -12.501 -12.501 601 2HG GLU 82 1HG GLU 82 3.729 -11.520 -11.520 602 H LYS 83 H LYS 83 -0.695 -12.150 -12.150 603 HA LYS 83 HA LYS 83 -2.200 -13.804 -13.804 604 1HB LYS 83 2HB LYS 83 -1.214 -12.092 -12.092 605 2HB LYS 83 1HB LYS 83 -1.840 -10.824 -10.824 606 1HG LYS 83 2HG LYS 83 -4.094 -11.306 -11.306 607 2HG LYS 83 1HG LYS 83 -3.658 -12.852 -12.852 608 1HD LYS 83 2HD LYS 83 -2.218 -10.647 -10.647 609 2HD LYS 83 1HD LYS 83 -3.966 -10.425 -10.425 610 1HE LYS 83 2HE LYS 83 -4.079 -12.868 -12.868 611 2HE LYS 83 1HE LYS 83 -2.322 -12.754 -12.754 612 1HZ LYS 83 3HZ LYS 83 -4.107 -10.641 -10.641 613 2HZ LYS 83 2HZ LYS 83 -3.841 -12.050 -12.050 614 3HZ LYS 83 1HZ LYS 83 -2.537 -11.042 -11.042 615 H GLU 84 H GLU 84 -3.261 -10.560 -10.560 616 HA GLU 84 HA GLU 84 -5.299 -11.756 -11.756 617 1HB GLU 84 2HB GLU 84 -5.340 -9.788 -9.788 618 2HB GLU 84 1HB GLU 84 -6.464 -9.511 -9.511 619 1HG GLU 84 2HG GLU 84 -6.542 -12.293 -12.293 620 2HG GLU 84 1HG GLU 84 -6.685 -11.403 -11.403 621 HA PRO 85 HA PRO 85 -3.866 -8.962 -8.962 622 1HB PRO 85 2HB PRO 85 -6.076 -8.979 -8.979 623 2HB PRO 85 1HB PRO 85 -4.959 -10.353 -10.353 624 1HG PRO 85 2HG PRO 85 -7.622 -9.983 -9.983 625 2HG PRO 85 1HG PRO 85 -6.878 -11.446 -11.446 626 1HD PRO 85 2HD PRO 85 -7.023 -10.855 -10.855 627 2HD PRO 85 1HD PRO 85 -5.812 -11.934 -11.934 628 H VAL 86 H VAL 86 -5.450 -7.189 -7.189 629 HA VAL 86 HA VAL 86 -6.422 -5.319 -5.319 630 HB VAL 86 HB VAL 86 -5.325 -4.685 -4.685 631 1HG1 VAL 86 1HG1 VAL 86 -5.660 -3.034 -3.034 632 2HG1 VAL 86 3HG1 VAL 86 -4.943 -2.462 -2.462 633 3HG1 VAL 86 2HG1 VAL 86 -6.648 -2.906 -2.906 634 1HG2 VAL 86 2HG2 VAL 86 -3.966 -5.638 -5.638 635 2HG2 VAL 86 1HG2 VAL 86 -3.298 -5.293 -5.293 636 3HG2 VAL 86 3HG2 VAL 86 -3.440 -4.004 -4.004 637 HA PRO 87 HA PRO 87 -10.206 -5.499 -5.499 638 1HB PRO 87 2HB PRO 87 -11.558 -3.602 -3.602 639 2HB PRO 87 1HB PRO 87 -11.228 -5.227 -5.227 640 1HG PRO 87 2HG PRO 87 -10.047 -2.666 -2.666 641 2HG PRO 87 1HG PRO 87 -10.079 -4.199 -4.199 642 1HD PRO 87 2HD PRO 87 -7.927 -3.067 -3.067 643 2HD PRO 87 1HD PRO 87 -7.948 -4.597 -4.597 644 H MET 88 H MET 88 -11.870 -3.307 -3.307 645 HA MET 88 HA MET 88 -10.105 -1.434 -1.434 646 1HB MET 88 2HB MET 88 -12.652 -2.870 -2.870 647 2HB MET 88 1HB MET 88 -11.917 -1.595 -1.595 648 1HG MET 88 2HG MET 88 -10.212 -2.938 -2.938 649 2HG MET 88 1HG MET 88 -10.069 -3.740 -3.740 650 1HE MET 88 2HE MET 88 -10.890 -5.867 -5.867 651 2HE MET 88 1HE MET 88 -11.302 -7.051 -7.051 652 3HE MET 88 3HE MET 88 -9.798 -6.129 -6.129 653 H SER 89 H SER 89 -12.023 -1.441 -1.441 654 HA SER 89 HA SER 89 -12.791 1.349 1.349 655 1HB SER 89 2HB SER 89 -14.547 0.334 0.334 656 2HB SER 89 1HB SER 89 -14.794 -0.894 -0.894 657 HG SER 89 HG SER 89 -15.939 1.494 1.494 658 H LEU 90 H LEU 90 -11.474 -0.585 -0.585 659 HA LEU 90 HA LEU 90 -11.200 -0.819 -0.819 660 1HB LEU 90 2HB LEU 90 -12.154 1.831 1.831 661 2HB LEU 90 1HB LEU 90 -12.709 1.381 1.381 662 HG LEU 90 HG LEU 90 -9.864 1.498 1.498 663 1HD1 LEU 90 3HD1 LEU 90 -11.606 3.100 3.100 664 2HD1 LEU 90 2HD1 LEU 90 -10.030 2.736 2.736 665 3HD1 LEU 90 1HD1 LEU 90 -10.133 3.566 3.566 666 1HD2 LEU 90 2HD2 LEU 90 -11.080 -0.088 -0.088 667 2HD2 LEU 90 1HD2 LEU 90 -9.588 -0.373 -0.373 668 3HD2 LEU 90 3HD2 LEU 90 -9.619 0.808 0.808 669 HA PRO 91 HA PRO 91 -15.126 -2.804 -2.804 670 1HB PRO 91 2HB PRO 91 -14.140 -4.428 -4.428 671 2HB PRO 91 1HB PRO 91 -13.967 -4.795 -4.795 672 1HG PRO 91 2HG PRO 91 -11.994 -3.651 -3.651 673 2HG PRO 91 1HG PRO 91 -11.748 -4.792 -4.792 674 1HD PRO 91 2HD PRO 91 -11.149 -2.124 -2.124 675 2HD PRO 91 1HD PRO 91 -11.548 -3.131 -3.131 676 HA PRO 92 HA PRO 92 -16.313 -0.609 -0.609 677 1HB PRO 92 2HB PRO 92 -17.869 -2.345 -2.345 678 2HB PRO 92 1HB PRO 92 -18.389 -1.616 -1.616 679 1HG PRO 92 2HG PRO 92 -17.333 -4.340 -4.340 680 2HG PRO 92 1HG PRO 92 -18.583 -3.818 -3.818 681 1HD PRO 92 2HD PRO 92 -15.997 -4.424 -4.424 682 2HD PRO 92 1HD PRO 92 -17.067 -3.355 -3.355 683 H ALA 93 H ALA 93 -14.598 -3.581 -3.581 684 HA ALA 93 HA ALA 93 -14.176 -2.993 -2.993 685 1HB ALA 93 3HB ALA 93 -14.318 -5.258 -5.258 686 2HB ALA 93 2HB ALA 93 -12.584 -5.083 -5.083 687 3HB ALA 93 1HB ALA 93 -13.681 -5.216 -5.216 688 H LEU 94 H LEU 94 -13.174 -1.179 -1.179 689 HA LEU 94 HA LEU 94 -10.254 -1.355 -1.355 690 1HB LEU 94 2HB LEU 94 -11.757 -1.279 -1.279 691 2HB LEU 94 1HB LEU 94 -10.545 0.001 0.001 692 HG LEU 94 HG LEU 94 -9.504 -1.969 -1.969 693 1HD1 LEU 94 2HD1 LEU 94 -8.716 -0.777 -0.777 694 2HD1 LEU 94 1HD1 LEU 94 -8.194 -2.461 -2.461 695 3HD1 LEU 94 3HD1 LEU 94 -7.698 -1.348 -1.348 696 1HD2 LEU 94 1HD2 LEU 94 -11.235 -3.287 -3.287 697 2HD2 LEU 94 3HD2 LEU 94 -10.249 -4.010 -4.010 698 3HD2 LEU 94 2HD2 LEU 94 -9.573 -3.780 -3.780 699 H VAL 95 H VAL 95 -13.063 0.724 0.724 700 HA VAL 95 HA VAL 95 -11.456 3.183 3.183 701 HB VAL 95 HB VAL 95 -13.725 4.214 4.214 702 1HG1 VAL 95 1HG1 VAL 95 -12.184 3.252 3.252 703 2HG1 VAL 95 3HG1 VAL 95 -13.492 2.083 2.083 704 3HG1 VAL 95 2HG1 VAL 95 -13.816 3.805 3.805 705 1HG2 VAL 95 3HG2 VAL 95 -14.593 1.746 1.746 706 2HG2 VAL 95 2HG2 VAL 95 -15.620 3.005 3.005 707 3HG2 VAL 95 1HG2 VAL 95 -15.012 1.704 1.704 708 HA PRO 96 HA PRO 96 -11.973 3.166 3.166 709 1HB PRO 96 2HB PRO 96 -11.203 5.759 5.759 710 2HB PRO 96 1HB PRO 96 -10.049 4.454 4.454 711 1HG PRO 96 2HG PRO 96 -11.130 6.550 6.550 712 2HG PRO 96 1HG PRO 96 -9.497 5.877 5.877 713 1HD PRO 96 2HD PRO 96 -11.298 5.150 5.150 714 2HD PRO 96 1HD PRO 96 -10.011 4.071 4.071 715 HA PRO 97 HA PRO 97 -15.937 4.952 4.952 716 1HB PRO 97 2HB PRO 97 -15.906 5.618 5.618 717 2HB PRO 97 1HB PRO 97 -15.997 3.941 3.941 718 1HG PRO 97 2HG PRO 97 -13.647 5.468 5.468 719 2HG PRO 97 1HG PRO 97 -14.098 3.778 3.778 720 1HD PRO 97 2HD PRO 97 -12.184 4.544 4.544 721 2HD PRO 97 1HD PRO 97 -13.159 3.069 3.069 722 H SER 98 H SER 98 -13.156 6.914 6.914 723 HA SER 98 HA SER 98 -14.780 9.352 9.352 724 1HB SER 98 2HB SER 98 -12.749 8.974 8.974 725 2HB SER 98 1HB SER 98 -11.786 8.859 8.859 726 HG SER 98 HG SER 98 -13.159 11.093 11.093 727 H LYS 99 H LYS 99 -13.835 7.525 7.525 728 HA LYS 99 HA LYS 99 -13.406 9.893 9.893 729 1HB LYS 99 2HB LYS 99 -12.672 6.983 6.983 730 2HB LYS 99 1HB LYS 99 -12.814 7.837 7.837 731 1HG LYS 99 2HG LYS 99 -11.119 8.784 8.784 732 2HG LYS 99 1HG LYS 99 -10.492 7.900 7.900 733 1HD LYS 99 2HD LYS 99 -11.536 9.729 9.729 734 2HD LYS 99 1HD LYS 99 -11.761 10.645 10.645 735 1HE LYS 99 2HE LYS 99 -9.088 9.720 9.720 736 2HE LYS 99 1HE LYS 99 -9.354 10.348 10.348 737 1HZ LYS 99 3HZ LYS 99 -10.639 12.190 12.190 738 2HZ LYS 99 2HZ LYS 99 -9.610 11.724 11.724 739 3HZ LYS 99 1HZ LYS 99 -8.956 12.290 12.290 740 H ARG 100 H ARG 100 -15.869 7.925 7.925 741 HA ARG 100 HA ARG 100 -17.584 8.693 8.693 742 1HB ARG 100 2HB ARG 100 -17.974 6.545 6.545 743 2HB ARG 100 1HB ARG 100 -16.274 6.429 6.429 744 1HG ARG 100 2HG ARG 100 -18.596 5.567 5.567 745 2HG ARG 100 1HG ARG 100 -17.581 4.477 4.477 746 1HD ARG 100 2HD ARG 100 -15.762 6.049 6.049 747 2HD ARG 100 1HD ARG 100 -17.043 5.666 5.666 748 HE ARG 100 HE ARG 100 -15.173 3.761 3.761 749 1HH1 ARG 100 1HH2 ARG 100 -18.428 4.265 4.265 750 2HH1 ARG 100 2HH2 ARG 100 -18.824 2.579 2.579 751 1HH2 ARG 100 2HH1 ARG 100 -15.721 1.547 1.547 752 2HH2 ARG 100 1HH1 ARG 100 -17.293 1.041 1.041 Start of MODEL 17 1 HA PRO 6 HA PRO 6 -13.757 -2.920 -2.920 2 1HB PRO 6 2HB PRO 6 -11.131 -2.881 -2.881 3 2HB PRO 6 1HB PRO 6 -12.447 -3.347 -3.347 4 1HG PRO 6 2HG PRO 6 -10.533 -5.065 -5.065 5 2HG PRO 6 1HG PRO 6 -11.189 -5.261 -5.261 6 1HD PRO 6 2HD PRO 6 -12.087 -6.655 -6.655 7 2HD PRO 6 1HD PRO 6 -13.085 -6.297 -6.297 8 H TRP 7 H TRP 7 -11.582 -1.421 -1.421 9 HA TRP 7 HA TRP 7 -11.612 -1.100 -1.100 10 1HB TRP 7 2HB TRP 7 -10.689 0.506 0.506 11 2HB TRP 7 1HB TRP 7 -9.409 -0.621 -0.621 12 HD1 TRP 7 HD1 TRP 7 -10.328 -0.404 -0.404 13 HE1 TRP 7 HE1 TRP 7 -8.427 0.764 0.764 14 HE3 TRP 7 HE3 TRP 7 -7.488 1.237 1.237 15 HZ2 TRP 7 HZ2 TRP 7 -6.015 2.206 2.206 16 HZ3 TRP 7 HZ3 TRP 7 -5.397 2.503 2.503 17 HH2 TRP 7 HH2 TRP 7 -4.658 2.991 2.991 18 H ALA 8 H ALA 8 -10.748 -2.267 -2.267 19 HA ALA 8 HA ALA 8 -9.765 -4.827 -4.827 20 1HB ALA 8 2HB ALA 8 -9.053 -2.469 -2.469 21 2HB ALA 8 1HB ALA 8 -8.515 -4.107 -4.107 22 3HB ALA 8 3HB ALA 8 -10.237 -3.736 -3.736 23 H VAL 9 H VAL 9 -7.988 -1.919 -1.919 24 HA VAL 9 HA VAL 9 -5.469 -3.501 -3.501 25 HB VAL 9 HB VAL 9 -6.086 -0.527 -0.527 26 1HG1 VAL 9 1HG1 VAL 9 -3.463 -2.039 -2.039 27 2HG1 VAL 9 3HG1 VAL 9 -3.585 -0.310 -0.310 28 3HG1 VAL 9 2HG1 VAL 9 -4.135 -0.959 -0.959 29 1HG2 VAL 9 2HG2 VAL 9 -6.335 -1.668 -1.668 30 2HG2 VAL 9 1HG2 VAL 9 -4.992 -0.525 -0.525 31 3HG2 VAL 9 3HG2 VAL 9 -4.677 -2.257 -2.257 32 H LYS 10 H LYS 10 -4.583 -3.862 -3.862 33 HA LYS 10 HA LYS 10 -6.252 -3.136 -3.136 34 1HB LYS 10 2HB LYS 10 -4.561 -5.313 -5.313 35 2HB LYS 10 1HB LYS 10 -4.060 -4.769 -4.769 36 1HG LYS 10 2HG LYS 10 -6.448 -4.930 -4.930 37 2HG LYS 10 1HG LYS 10 -6.849 -5.619 -5.619 38 1HD LYS 10 2HD LYS 10 -5.981 -7.645 -7.645 39 2HD LYS 10 1HD LYS 10 -4.561 -6.927 -6.927 40 1HE LYS 10 2HE LYS 10 -5.459 -7.402 -7.402 41 2HE LYS 10 1HE LYS 10 -6.796 -6.295 -6.295 42 1HZ LYS 10 2HZ LYS 10 -7.602 -8.246 -8.246 43 2HZ LYS 10 1HZ LYS 10 -6.612 -9.198 -9.198 44 3HZ LYS 10 3HZ LYS 10 -7.887 -8.305 -8.305 45 HA PRO 11 HA PRO 11 -3.332 -0.384 -0.384 46 1HB PRO 11 2HB PRO 11 -2.718 -1.450 -1.450 47 2HB PRO 11 1HB PRO 11 -4.280 -0.686 -0.686 48 1HG PRO 11 2HG PRO 11 -3.561 -3.577 -3.577 49 2HG PRO 11 1HG PRO 11 -5.024 -2.761 -2.761 50 1HD PRO 11 2HD PRO 11 -4.935 -4.132 -4.132 51 2HD PRO 11 1HD PRO 11 -5.984 -2.719 -2.719 52 H GLU 12 H GLU 12 -2.348 -3.784 -3.784 53 HA GLU 12 HA GLU 12 0.492 -3.205 -3.205 54 1HB GLU 12 2HB GLU 12 0.689 -5.612 -5.612 55 2HB GLU 12 1HB GLU 12 -0.764 -5.276 -5.276 56 1HG GLU 12 2HG GLU 12 -2.104 -5.463 -5.463 57 2HG GLU 12 1HG GLU 12 -0.634 -5.972 -5.972 58 H ASP 13 H ASP 13 -1.736 -3.678 -3.678 59 HA ASP 13 HA ASP 13 0.410 -3.943 -3.943 60 1HB ASP 13 2HB ASP 13 -2.526 -4.116 -4.116 61 2HB ASP 13 1HB ASP 13 -1.958 -3.382 -3.382 62 H LYS 14 H LYS 14 -1.834 -1.496 -1.496 63 HA LYS 14 HA LYS 14 -1.138 0.562 0.562 64 1HB LYS 14 2HB LYS 14 -3.210 0.663 0.663 65 2HB LYS 14 1HB LYS 14 -2.377 0.506 0.506 66 1HG LYS 14 2HG LYS 14 -2.893 2.819 2.819 67 2HG LYS 14 1HG LYS 14 -1.183 2.697 2.697 68 1HD LYS 14 2HD LYS 14 -1.545 3.360 3.360 69 2HD LYS 14 1HD LYS 14 -2.965 2.327 2.327 70 1HE LYS 14 2HE LYS 14 -3.679 4.660 4.660 71 2HE LYS 14 1HE LYS 14 -4.255 4.018 4.018 72 1HZ LYS 14 1HZ LYS 14 -1.563 5.174 5.174 73 2HZ LYS 14 3HZ LYS 14 -2.884 6.237 6.237 74 3HZ LYS 14 2HZ LYS 14 -2.657 5.129 5.129 75 H ALA 15 H ALA 15 0.346 -0.737 -0.737 76 HA ALA 15 HA ALA 15 1.948 1.572 1.572 77 1HB ALA 15 2HB ALA 15 1.586 -1.257 -1.257 78 2HB ALA 15 1HB ALA 15 3.260 -0.721 -0.721 79 3HB ALA 15 3HB ALA 15 1.990 0.114 0.114 80 H LYS 16 H LYS 16 2.498 -1.374 -1.374 81 HA LYS 16 HA LYS 16 5.204 -0.603 -0.603 82 1HB LYS 16 2HB LYS 16 5.218 -2.717 -2.717 83 2HB LYS 16 1HB LYS 16 3.785 -2.909 -2.909 84 1HG LYS 16 2HG LYS 16 2.334 -2.401 -2.401 85 2HG LYS 16 1HG LYS 16 3.720 -1.998 -1.998 86 1HD LYS 16 2HD LYS 16 3.275 -4.197 -4.197 87 2HD LYS 16 1HD LYS 16 4.508 -4.434 -4.434 88 1HE LYS 16 2HE LYS 16 2.859 -5.024 -5.024 89 2HE LYS 16 1HE LYS 16 1.531 -4.526 -4.526 90 1HZ LYS 16 2HZ LYS 16 3.277 -6.324 -6.324 91 2HZ LYS 16 1HZ LYS 16 2.715 -7.023 -7.023 92 3HZ LYS 16 3HZ LYS 16 1.608 -6.468 -6.468 93 H TYR 17 H TYR 17 1.976 0.010 0.010 94 HA TYR 17 HA TYR 17 2.652 0.906 0.906 95 1HB TYR 17 2HB TYR 17 0.297 1.409 1.409 96 2HB TYR 17 1HB TYR 17 0.324 1.827 1.827 97 HD1 TYR 17 HD1 TYR 17 2.245 -1.067 -1.067 98 HD2 TYR 17 HD2 TYR 17 -1.841 0.238 0.238 99 HE1 TYR 17 HE1 TYR 17 1.492 -3.358 -3.358 100 HE2 TYR 17 HE2 TYR 17 -2.598 -2.052 -2.052 101 HH TYR 17 HH TYR 17 -0.331 -4.548 -4.548 102 H ASP 18 H ASP 18 2.269 2.342 2.342 103 HA ASP 18 HA ASP 18 2.561 5.107 5.107 104 1HB ASP 18 2HB ASP 18 1.346 4.316 4.316 105 2HB ASP 18 1HB ASP 18 2.894 3.826 3.826 106 H ALA 19 H ALA 19 4.731 2.526 2.526 107 HA ALA 19 HA ALA 19 7.040 4.277 4.277 108 1HB ALA 19 1HB ALA 19 6.287 1.493 1.493 109 2HB ALA 19 3HB ALA 19 7.808 1.617 1.617 110 3HB ALA 19 2HB ALA 19 7.663 2.322 2.322 111 H ILE 20 H ILE 20 5.603 2.374 2.374 112 HA ILE 20 HA ILE 20 7.735 2.822 2.822 113 HB ILE 20 HB ILE 20 4.905 1.743 1.743 114 1HG1 ILE 20 2HG1 ILE 20 7.439 0.311 0.311 115 2HG1 ILE 20 1HG1 ILE 20 6.982 0.482 0.482 116 1HG2 ILE 20 3HG2 ILE 20 5.503 2.929 2.929 117 2HG2 ILE 20 2HG2 ILE 20 6.737 1.690 1.690 118 3HG2 ILE 20 1HG2 ILE 20 5.036 1.237 1.237 119 1HD1 ILE 20 3HD1 ILE 20 4.773 -0.543 -0.543 120 2HD1 ILE 20 2HD1 ILE 20 5.301 -0.781 -0.781 121 3HD1 ILE 20 1HD1 ILE 20 6.113 -1.634 -1.634 122 H PHE 21 H PHE 21 4.714 4.277 4.277 123 HA PHE 21 HA PHE 21 4.434 6.107 6.107 124 1HB PHE 21 2HB PHE 21 2.412 5.764 5.764 125 2HB PHE 21 1HB PHE 21 3.175 5.509 5.509 126 HD1 PHE 21 HD2 PHE 21 4.082 7.524 7.524 127 HD2 PHE 21 HD1 PHE 21 1.497 7.878 7.878 128 HE1 PHE 21 HE2 PHE 21 3.537 9.851 9.851 129 HE2 PHE 21 HE1 PHE 21 0.952 10.208 10.208 130 HZ PHE 21 HZ PHE 21 1.976 11.192 11.192 131 H ASP 22 H ASP 22 5.775 6.229 6.229 132 HA ASP 22 HA ASP 22 6.628 9.031 9.031 133 1HB ASP 22 2HB ASP 22 5.720 8.165 8.165 134 2HB ASP 22 1HB ASP 22 7.005 6.957 6.957 135 H SER 23 H SER 23 7.761 6.208 6.208 136 HA SER 23 HA SER 23 10.633 6.622 6.622 137 1HB SER 23 2HB SER 23 8.853 4.519 4.519 138 2HB SER 23 1HB SER 23 10.312 4.651 4.651 139 HG SER 23 HG SER 23 10.358 3.285 3.285 140 H LEU 24 H LEU 24 8.255 7.528 7.528 141 HA LEU 24 HA LEU 24 10.196 8.146 8.146 142 1HB LEU 24 2HB LEU 24 7.331 8.891 8.891 143 2HB LEU 24 1HB LEU 24 8.343 8.066 8.066 144 HG LEU 24 HG LEU 24 7.038 6.848 6.848 145 1HD1 LEU 24 3HD1 LEU 24 5.573 7.277 7.277 146 2HD1 LEU 24 2HD1 LEU 24 6.663 6.293 6.293 147 3HD1 LEU 24 1HD1 LEU 24 5.762 5.559 5.559 148 1HD2 LEU 24 1HD2 LEU 24 9.218 5.933 5.933 149 2HD2 LEU 24 3HD2 LEU 24 8.919 5.528 5.528 150 3HD2 LEU 24 2HD2 LEU 24 7.983 4.744 4.744 151 H SER 25 H SER 25 8.806 9.517 9.517 152 HA SER 25 HA SER 25 9.138 11.713 11.713 153 1HB SER 25 2HB SER 25 9.668 12.705 12.705 154 2HB SER 25 1HB SER 25 10.316 13.303 13.303 155 HG SER 25 HG SER 25 11.647 11.547 11.547 156 HA PRO 26 HA PRO 26 4.870 12.288 12.288 157 1HB PRO 26 2HB PRO 26 3.927 12.981 12.981 158 2HB PRO 26 1HB PRO 26 4.166 11.294 11.294 159 1HG PRO 26 2HG PRO 26 5.858 13.016 13.016 160 2HG PRO 26 1HG PRO 26 5.508 11.286 11.286 161 1HD PRO 26 2HD PRO 26 7.841 12.316 12.316 162 2HD PRO 26 1HD PRO 26 7.198 10.715 10.715 163 H VAL 27 H VAL 27 3.778 14.187 14.187 164 HA VAL 27 HA VAL 27 5.113 16.735 16.735 165 HB VAL 27 HB VAL 27 3.497 16.121 16.121 166 1HG1 VAL 27 1HG1 VAL 27 5.308 18.438 18.438 167 2HG1 VAL 27 3HG1 VAL 27 4.491 18.238 18.238 168 3HG1 VAL 27 2HG1 VAL 27 3.547 18.495 18.495 169 1HG2 VAL 27 1HG2 VAL 27 6.145 15.323 15.323 170 2HG2 VAL 27 3HG2 VAL 27 5.348 15.185 15.185 171 3HG2 VAL 27 2HG2 VAL 27 6.284 16.627 16.627 172 H ASN 28 H ASN 28 3.770 17.226 17.226 173 HA ASN 28 HA ASN 28 1.826 18.095 18.095 174 1HB ASN 28 2HB ASN 28 1.872 19.264 19.264 175 2HB ASN 28 1HB ASN 28 0.627 18.104 18.104 176 1HD2 ASN 28 1HD2 ASN 28 -1.102 17.920 17.920 177 2HD2 ASN 28 2HD2 ASN 28 -1.699 19.431 19.431 178 H GLY 29 H GLY 29 2.255 15.151 15.151 179 1HA GLY 29 2HA GLY 29 0.987 13.266 13.266 180 2HA GLY 29 1HA GLY 29 -0.470 14.260 14.260 181 H PHE 30 H PHE 30 1.817 14.088 14.088 182 HA PHE 30 HA PHE 30 0.028 12.287 12.287 183 1HB PHE 30 2HB PHE 30 0.649 15.176 15.176 184 2HB PHE 30 1HB PHE 30 -0.074 14.043 14.043 185 HD1 PHE 30 HD2 PHE 30 -2.250 12.955 12.955 186 HD2 PHE 30 HD1 PHE 30 -0.634 16.149 16.149 187 HE1 PHE 30 HE2 PHE 30 -4.489 13.342 13.342 188 HE2 PHE 30 HE1 PHE 30 -2.856 16.538 16.538 189 HZ PHE 30 HZ PHE 30 -4.792 15.136 15.136 190 H LEU 31 H LEU 31 1.023 11.428 11.428 191 HA LEU 31 HA LEU 31 3.953 12.020 12.020 192 1HB LEU 31 2HB LEU 31 2.418 9.410 9.410 193 2HB LEU 31 1HB LEU 31 4.024 9.529 9.529 194 HG LEU 31 HG LEU 31 3.502 10.526 10.526 195 1HD1 LEU 31 3HD1 LEU 31 2.901 7.998 7.998 196 2HD1 LEU 31 2HD1 LEU 31 4.653 7.806 7.806 197 3HD1 LEU 31 1HD1 LEU 31 3.836 8.416 8.416 198 1HD2 LEU 31 3HD2 LEU 31 5.844 9.931 9.931 199 2HD2 LEU 31 2HD2 LEU 31 5.616 11.241 11.241 200 3HD2 LEU 31 1HD2 LEU 31 6.027 9.620 9.620 201 H SER 32 H SER 32 4.486 12.539 12.539 202 HA SER 32 HA SER 32 2.387 12.728 12.728 203 1HB SER 32 2HB SER 32 4.200 13.748 13.748 204 2HB SER 32 1HB SER 32 4.199 14.391 14.391 205 HG SER 32 HG SER 32 6.150 13.653 13.653 206 H GLY 33 H GLY 33 2.046 11.362 11.362 207 1HA GLY 33 2HA GLY 33 2.760 8.693 8.693 208 2HA GLY 33 1HA GLY 33 2.444 9.596 9.596 209 H ASP 34 H ASP 34 4.720 11.427 11.427 210 HA ASP 34 HA ASP 34 6.761 10.055 10.055 211 1HB ASP 34 2HB ASP 34 6.544 12.567 12.567 212 2HB ASP 34 1HB ASP 34 8.104 12.084 12.084 213 H LYS 35 H LYS 35 5.952 9.978 9.978 214 HA LYS 35 HA LYS 35 8.642 8.875 8.875 215 1HB LYS 35 2HB LYS 35 6.366 9.813 9.813 216 2HB LYS 35 1HB LYS 35 8.041 9.528 9.528 217 1HG LYS 35 2HG LYS 35 8.824 11.358 11.358 218 2HG LYS 35 1HG LYS 35 7.248 11.546 11.546 219 1HD LYS 35 2HD LYS 35 7.539 13.260 13.260 220 2HD LYS 35 1HD LYS 35 6.266 12.133 12.133 221 1HE LYS 35 2HE LYS 35 7.550 12.293 12.293 222 2HE LYS 35 1HE LYS 35 8.227 10.847 10.847 223 1HZ LYS 35 1HZ LYS 35 9.250 13.579 13.579 224 2HZ LYS 35 3HZ LYS 35 9.902 12.578 12.578 225 3HZ LYS 35 2HZ LYS 35 9.970 12.100 12.100 226 H VAL 36 H VAL 36 5.180 8.297 8.297 227 HA VAL 36 HA VAL 36 5.418 5.654 5.654 228 HB VAL 36 HB VAL 36 3.180 7.134 7.134 229 1HG1 VAL 36 2HG1 VAL 36 3.019 4.583 4.583 230 2HG1 VAL 36 1HG1 VAL 36 2.914 4.798 4.798 231 3HG1 VAL 36 3HG1 VAL 36 1.681 5.496 5.496 232 1HG2 VAL 36 3HG2 VAL 36 4.317 7.178 7.178 233 2HG2 VAL 36 2HG2 VAL 36 3.393 8.413 8.413 234 3HG2 VAL 36 1HG2 VAL 36 2.558 7.068 7.068 235 H LYS 37 H LYS 37 5.141 7.048 7.048 236 HA LYS 37 HA LYS 37 4.372 4.840 4.840 237 1HB LYS 37 2HB LYS 37 4.698 7.027 7.027 238 2HB LYS 37 1HB LYS 37 6.395 7.047 7.047 239 1HG LYS 37 2HG LYS 37 7.016 5.513 5.513 240 2HG LYS 37 1HG LYS 37 5.383 4.860 4.860 241 1HD LYS 37 2HD LYS 37 5.689 7.740 7.740 242 2HD LYS 37 1HD LYS 37 6.432 6.609 6.609 243 1HE LYS 37 2HE LYS 37 4.410 5.858 5.858 244 2HE LYS 37 1HE LYS 37 3.705 5.852 5.852 245 1HZ LYS 37 3HZ LYS 37 4.025 8.426 8.426 246 2HZ LYS 37 2HZ LYS 37 3.930 8.061 8.061 247 3HZ LYS 37 1HZ LYS 37 2.646 7.659 7.659 248 HA PRO 38 HA PRO 38 8.980 3.404 3.404 249 1HB PRO 38 2HB PRO 38 10.569 4.351 4.351 250 2HB PRO 38 1HB PRO 38 10.476 5.122 5.122 251 1HG PRO 38 2HG PRO 38 9.076 5.847 5.847 252 2HG PRO 38 1HG PRO 38 9.860 6.901 6.901 253 1HD PRO 38 2HD PRO 38 7.207 6.606 6.606 254 2HD PRO 38 1HD PRO 38 8.082 6.788 6.788 255 H VAL 39 H VAL 39 7.405 4.179 4.179 256 HA VAL 39 HA VAL 39 8.300 1.810 1.810 257 HB VAL 39 HB VAL 39 6.261 4.006 4.006 258 1HG1 VAL 39 3HG1 VAL 39 6.298 1.372 1.372 259 2HG1 VAL 39 2HG1 VAL 39 6.072 2.788 2.788 260 3HG1 VAL 39 1HG1 VAL 39 4.952 2.471 2.471 261 1HG2 VAL 39 2HG2 VAL 39 8.935 3.708 3.708 262 2HG2 VAL 39 1HG2 VAL 39 7.829 4.908 4.908 263 3HG2 VAL 39 3HG2 VAL 39 8.091 3.380 3.380 264 H LEU 40 H LEU 40 6.038 2.348 2.348 265 HA LEU 40 HA LEU 40 4.372 0.000 0.000 266 1HB LEU 40 2HB LEU 40 4.156 2.168 2.168 267 2HB LEU 40 1HB LEU 40 3.020 0.825 0.825 268 HG LEU 40 HG LEU 40 3.613 2.813 2.813 269 1HD1 LEU 40 3HD1 LEU 40 2.327 3.675 3.675 270 2HD1 LEU 40 2HD1 LEU 40 1.074 2.501 2.501 271 3HD1 LEU 40 1HD1 LEU 40 1.477 3.789 3.789 272 1HD2 LEU 40 2HD2 LEU 40 2.316 0.215 0.215 273 2HD2 LEU 40 1HD2 LEU 40 2.695 1.238 1.238 274 3HD2 LEU 40 3HD2 LEU 40 1.187 1.474 1.474 275 H LEU 41 H LEU 41 7.013 0.956 0.956 276 HA LEU 41 HA LEU 41 6.663 -1.184 -1.184 277 1HB LEU 41 2HB LEU 41 8.879 0.812 0.812 278 2HB LEU 41 1HB LEU 41 8.777 -0.215 -0.215 279 HG LEU 41 HG LEU 41 6.409 1.475 1.475 280 1HD1 LEU 41 2HD1 LEU 41 9.089 2.503 2.503 281 2HD1 LEU 41 1HD1 LEU 41 7.988 3.024 3.024 282 3HD1 LEU 41 3HD1 LEU 41 7.615 3.378 3.378 283 1HD2 LEU 41 3HD2 LEU 41 7.101 -0.230 -0.230 284 2HD2 LEU 41 2HD2 LEU 41 5.879 1.036 1.036 285 3HD2 LEU 41 1HD2 LEU 41 7.525 1.340 1.340 286 H ASN 42 H ASN 42 8.896 -0.350 -0.350 287 HA ASN 42 HA ASN 42 10.673 -2.498 -2.498 288 1HB ASN 42 2HB ASN 42 11.054 -2.104 -2.104 289 2HB ASN 42 1HB ASN 42 10.502 -0.557 -0.557 290 1HD2 ASN 42 1HD2 ASN 42 7.818 -0.649 -0.649 291 2HD2 ASN 42 2HD2 ASN 42 7.149 -1.059 -1.059 292 H SER 43 H SER 43 7.286 -2.492 -2.492 293 HA SER 43 HA SER 43 7.044 -5.005 -5.005 294 1HB SER 43 2HB SER 43 5.099 -3.689 -3.689 295 2HB SER 43 1HB SER 43 4.709 -4.748 -4.748 296 HG SER 43 HG SER 43 5.769 -3.106 -3.106 297 H LYS 44 H LYS 44 7.933 -4.282 -4.282 298 HA LYS 44 HA LYS 44 8.513 -5.770 -5.770 299 1HB LYS 44 2HB LYS 44 8.820 -7.270 -7.270 300 2HB LYS 44 1HB LYS 44 7.340 -8.038 -8.038 301 1HG LYS 44 2HG LYS 44 8.829 -9.315 -9.315 302 2HG LYS 44 1HG LYS 44 8.715 -7.964 -7.964 303 1HD LYS 44 2HD LYS 44 10.634 -6.947 -6.947 304 2HD LYS 44 1HD LYS 44 10.908 -8.636 -8.636 305 1HE LYS 44 2HE LYS 44 12.280 -8.407 -8.407 306 2HE LYS 44 1HE LYS 44 10.774 -8.987 -8.987 307 1HZ LYS 44 1HZ LYS 44 10.255 -6.392 -6.392 308 2HZ LYS 44 3HZ LYS 44 11.937 -6.316 -6.316 309 3HZ LYS 44 2HZ LYS 44 10.977 -7.091 -7.091 310 H LEU 45 H LEU 45 5.696 -4.650 -4.650 311 HA LEU 45 HA LEU 45 3.987 -6.520 -6.520 312 1HB LEU 45 2HB LEU 45 3.626 -4.289 -4.289 313 2HB LEU 45 1HB LEU 45 2.306 -4.646 -4.646 314 HG LEU 45 HG LEU 45 3.667 -6.746 -6.746 315 1HD1 LEU 45 3HD1 LEU 45 1.132 -5.157 -5.157 316 2HD1 LEU 45 2HD1 LEU 45 1.552 -6.629 -6.629 317 3HD1 LEU 45 1HD1 LEU 45 2.572 -5.198 -5.198 318 1HD2 LEU 45 1HD2 LEU 45 2.274 -7.160 -7.160 319 2HD2 LEU 45 3HD2 LEU 45 2.092 -8.225 -8.225 320 3HD2 LEU 45 2HD2 LEU 45 0.907 -6.955 -6.955 321 HA PRO 46 HA PRO 46 4.123 -3.937 -3.937 322 1HB PRO 46 2HB PRO 46 1.612 -4.315 -4.315 323 2HB PRO 46 1HB PRO 46 2.894 -5.539 -5.539 324 1HG PRO 46 2HG PRO 46 0.555 -5.367 -5.367 325 2HG PRO 46 1HG PRO 46 1.347 -6.786 -6.786 326 1HD PRO 46 2HD PRO 46 1.692 -5.927 -5.927 327 2HD PRO 46 1HD PRO 46 2.848 -6.940 -6.940 328 H VAL 47 H VAL 47 3.320 -1.920 -1.920 329 HA VAL 47 HA VAL 47 2.556 0.034 0.034 330 HB VAL 47 HB VAL 47 2.712 -0.238 -0.238 331 1HG1 VAL 47 1HG1 VAL 47 1.428 2.062 2.062 332 2HG1 VAL 47 3HG1 VAL 47 2.166 2.266 2.266 333 3HG1 VAL 47 2HG1 VAL 47 0.797 1.173 1.173 334 1HG2 VAL 47 3HG2 VAL 47 4.471 0.463 0.463 335 2HG2 VAL 47 2HG2 VAL 47 4.680 0.851 0.851 336 3HG2 VAL 47 1HG2 VAL 47 3.958 2.033 2.033 337 H ASP 48 H ASP 48 0.561 -2.342 -2.342 338 HA ASP 48 HA ASP 48 -1.897 -0.797 -0.797 339 1HB ASP 48 2HB ASP 48 -0.919 -3.470 -3.470 340 2HB ASP 48 1HB ASP 48 -2.466 -3.515 -3.515 341 H ILE 49 H ILE 49 -0.358 -3.032 -3.032 342 HA ILE 49 HA ILE 49 -2.461 -3.039 -3.039 343 HB ILE 49 HB ILE 49 0.504 -3.228 -3.228 344 1HG1 ILE 49 2HG1 ILE 49 0.220 -4.638 -4.638 345 2HG1 ILE 49 1HG1 ILE 49 0.226 -5.697 -5.697 346 1HG2 ILE 49 2HG2 ILE 49 -2.040 -4.202 -4.202 347 2HG2 ILE 49 1HG2 ILE 49 -0.557 -5.129 -5.129 348 3HG2 ILE 49 3HG2 ILE 49 -0.637 -3.445 -3.445 349 1HD1 ILE 49 3HD1 ILE 49 -2.413 -5.183 -5.183 350 2HD1 ILE 49 2HD1 ILE 49 -2.006 -5.014 -5.014 351 3HD1 ILE 49 1HD1 ILE 49 -1.659 -6.524 -6.524 352 H LEU 50 H LEU 50 0.470 -1.144 -1.144 353 HA LEU 50 HA LEU 50 0.150 0.577 0.577 354 1HB LEU 50 2HB LEU 50 1.538 1.218 1.218 355 2HB LEU 50 1HB LEU 50 1.997 1.727 1.727 356 HG LEU 50 HG LEU 50 2.326 -0.963 -0.963 357 1HD1 LEU 50 1HD1 LEU 50 4.065 0.861 0.861 358 2HD1 LEU 50 3HD1 LEU 50 4.563 -0.736 -0.736 359 3HD1 LEU 50 2HD1 LEU 50 4.222 0.541 0.541 360 1HD2 LEU 50 1HD2 LEU 50 1.742 -0.398 -0.398 361 2HD2 LEU 50 3HD2 LEU 50 1.384 -1.836 -1.836 362 3HD2 LEU 50 2HD2 LEU 50 3.017 -1.563 -1.563 363 H GLY 51 H GLY 51 -1.415 0.439 0.439 364 1HA GLY 51 2HA GLY 51 -2.196 3.286 3.286 365 2HA GLY 51 1HA GLY 51 -2.694 2.089 2.089 366 H ARG 52 H ARG 52 -3.493 0.119 0.119 367 HA ARG 52 HA ARG 52 -6.154 1.236 1.236 368 1HB ARG 52 2HB ARG 52 -4.944 -1.318 -1.318 369 2HB ARG 52 1HB ARG 52 -5.947 -1.446 -1.446 370 1HG ARG 52 2HG ARG 52 -7.785 -0.283 -0.283 371 2HG ARG 52 1HG ARG 52 -6.791 -0.360 -0.360 372 1HD ARG 52 2HD ARG 52 -6.979 -2.957 -2.957 373 2HD ARG 52 1HD ARG 52 -8.561 -2.331 -2.331 374 HE ARG 52 HE ARG 52 -7.846 -2.863 -2.863 375 1HH1 ARG 52 1HH2 ARG 52 -5.246 -4.074 -4.074 376 2HH1 ARG 52 2HH2 ARG 52 -4.085 -3.093 -3.093 377 1HH2 ARG 52 2HH1 ARG 52 -6.348 -0.562 -0.562 378 2HH2 ARG 52 1HH1 ARG 52 -4.710 -1.101 -1.101 379 H VAL 53 H VAL 53 -3.602 -0.646 -0.646 380 HA VAL 53 HA VAL 53 -4.567 -0.565 -0.565 381 HB VAL 53 HB VAL 53 -1.796 -0.341 -0.341 382 1HG1 VAL 53 3HG1 VAL 53 -2.567 0.251 0.251 383 2HG1 VAL 53 2HG1 VAL 53 -1.723 -1.296 -1.296 384 3HG1 VAL 53 1HG1 VAL 53 -0.938 0.136 0.136 385 1HG2 VAL 53 1HG2 VAL 53 -3.142 -2.430 -2.430 386 2HG2 VAL 53 3HG2 VAL 53 -1.672 -2.692 -2.692 387 3HG2 VAL 53 2HG2 VAL 53 -3.234 -2.586 -2.586 388 H TRP 54 H TRP 54 -3.074 2.028 2.028 389 HA TRP 54 HA TRP 54 -2.782 3.867 3.867 390 1HB TRP 54 2HB TRP 54 -1.415 4.145 4.145 391 2HB TRP 54 1HB TRP 54 -2.831 4.161 4.161 392 HD1 TRP 54 HD1 TRP 54 -4.577 6.266 6.266 393 HE1 TRP 54 HE1 TRP 54 -4.044 8.721 8.721 394 HE3 TRP 54 HE3 TRP 54 0.146 5.706 5.706 395 HZ2 TRP 54 HZ2 TRP 54 -1.894 10.236 10.236 396 HZ3 TRP 54 HZ3 TRP 54 1.414 7.665 7.665 397 HH2 TRP 54 HH2 TRP 54 0.399 9.927 9.927 398 H GLU 55 H GLU 55 -4.996 3.907 3.907 399 HA GLU 55 HA GLU 55 -6.703 5.952 5.952 400 1HB GLU 55 2HB GLU 55 -8.019 5.163 5.163 401 2HB GLU 55 1HB GLU 55 -6.564 4.228 4.228 402 1HG GLU 55 2HG GLU 55 -7.453 2.320 2.320 403 2HG GLU 55 1HG GLU 55 -8.851 3.250 3.250 404 H LEU 56 H LEU 56 -6.899 2.525 2.525 405 HA LEU 56 HA LEU 56 -9.171 2.899 2.899 406 1HB LEU 56 2HB LEU 56 -7.125 0.661 0.661 407 2HB LEU 56 1HB LEU 56 -8.702 0.537 0.537 408 HG LEU 56 HG LEU 56 -8.773 1.550 1.550 409 1HD1 LEU 56 3HD1 LEU 56 -7.038 -0.547 -0.547 410 2HD1 LEU 56 2HD1 LEU 56 -8.550 -1.380 -1.380 411 3HD1 LEU 56 1HD1 LEU 56 -7.877 -0.231 -0.231 412 1HD2 LEU 56 3HD2 LEU 56 -10.489 0.324 0.324 413 2HD2 LEU 56 2HD2 LEU 56 -10.904 0.847 0.847 414 3HD2 LEU 56 1HD2 LEU 56 -10.349 -0.803 -0.803 415 H SER 57 H SER 57 -5.833 3.522 3.522 416 HA SER 57 HA SER 57 -5.676 3.236 3.236 417 1HB SER 57 2HB SER 57 -3.785 2.366 2.366 418 2HB SER 57 1HB SER 57 -3.799 3.608 3.608 419 HG SER 57 HG SER 57 -3.473 4.405 4.405 420 H ASP 58 H ASP 58 -5.510 5.668 5.668 421 HA ASP 58 HA ASP 58 -4.939 7.863 7.863 422 1HB ASP 58 2HB ASP 58 -4.260 7.516 7.516 423 2HB ASP 58 1HB ASP 58 -5.895 8.073 8.073 424 H ILE 59 H ILE 59 -6.815 7.666 7.666 425 HA ILE 59 HA ILE 59 -9.507 7.566 7.566 426 HB ILE 59 HB ILE 59 -8.173 9.173 9.173 427 1HG1 ILE 59 2HG1 ILE 59 -7.584 6.719 6.719 428 2HG1 ILE 59 1HG1 ILE 59 -8.424 7.182 7.182 429 1HG2 ILE 59 2HG2 ILE 59 -10.930 8.854 8.854 430 2HG2 ILE 59 1HG2 ILE 59 -10.670 8.109 8.109 431 3HG2 ILE 59 3HG2 ILE 59 -10.258 9.806 9.806 432 1HD1 ILE 59 2HD1 ILE 59 -9.936 6.157 6.157 433 2HD1 ILE 59 1HD1 ILE 59 -9.235 5.051 5.051 434 3HD1 ILE 59 3HD1 ILE 59 -10.459 6.219 6.219 435 H ASP 60 H ASP 60 -7.306 10.332 10.332 436 HA ASP 60 HA ASP 60 -9.438 12.208 12.208 437 1HB ASP 60 2HB ASP 60 -6.459 12.681 12.681 438 2HB ASP 60 1HB ASP 60 -7.758 13.862 13.862 439 H HIS 61 H HIS 61 -7.033 10.210 10.210 440 HA HIS 61 HA HIS 61 -6.118 10.162 10.162 441 1HB HIS 61 2HB HIS 61 -7.921 10.057 10.057 442 2HB HIS 61 1HB HIS 61 -8.509 9.362 9.362 443 HD1 HIS 61 HD1 HIS 61 -8.722 12.530 12.530 444 HD2 HIS 61 HD2 HIS 61 -10.657 10.731 10.731 445 HE1 HIS 61 HE1 HIS 61 -10.779 13.927 13.927 446 H ASP 62 H ASP 62 -5.683 12.632 12.632 447 HA ASP 62 HA ASP 62 -6.218 14.747 14.747 448 1HB ASP 62 2HB ASP 62 -5.861 16.210 16.210 449 2HB ASP 62 1HB ASP 62 -6.562 14.792 14.792 450 H GLY 63 H GLY 63 -3.779 12.522 12.522 451 1HA GLY 63 2HA GLY 63 -1.888 12.581 12.581 452 2HA GLY 63 1HA GLY 63 -1.684 14.264 14.264 453 H MET 64 H MET 64 -2.576 12.505 12.505 454 HA MET 64 HA MET 64 0.179 11.628 11.628 455 1HB MET 64 2HB MET 64 -1.193 13.435 13.435 456 2HB MET 64 1HB MET 64 0.530 13.176 13.176 457 1HG MET 64 2HG MET 64 0.166 14.324 14.324 458 2HG MET 64 1HG MET 64 -1.375 14.863 14.863 459 1HE MET 64 2HE MET 64 2.183 14.410 14.410 460 2HE MET 64 1HE MET 64 2.859 15.930 15.930 461 3HE MET 64 3HE MET 64 2.359 14.684 14.684 462 H LEU 65 H LEU 65 0.231 10.387 10.387 463 HA LEU 65 HA LEU 65 -2.430 9.157 9.157 464 1HB LEU 65 2HB LEU 65 0.433 8.172 8.172 465 2HB LEU 65 1HB LEU 65 -0.831 7.262 7.262 466 HG LEU 65 HG LEU 65 -0.860 8.078 8.078 467 1HD1 LEU 65 2HD1 LEU 65 0.618 6.085 6.085 468 2HD1 LEU 65 1HD1 LEU 65 -0.920 5.238 5.238 469 3HD1 LEU 65 3HD1 LEU 65 -0.143 5.956 5.956 470 1HD2 LEU 65 3HD2 LEU 65 -2.870 6.848 6.848 471 2HD2 LEU 65 2HD2 LEU 65 -3.117 7.984 7.984 472 3HD2 LEU 65 1HD2 LEU 65 -2.816 6.280 6.280 473 H ASP 66 H ASP 66 -3.142 10.044 10.044 474 HA ASP 66 HA ASP 66 -1.367 11.216 11.216 475 1HB ASP 66 2HB ASP 66 -3.891 11.575 11.575 476 2HB ASP 66 1HB ASP 66 -4.140 10.185 10.185 477 H ARG 67 H ARG 67 -1.274 10.401 10.401 478 HA ARG 67 HA ARG 67 0.029 8.004 8.004 479 1HB ARG 67 2HB ARG 67 -0.858 8.152 8.152 480 2HB ARG 67 1HB ARG 67 -0.248 9.685 9.685 481 1HG ARG 67 2HG ARG 67 -2.771 9.950 9.950 482 2HG ARG 67 1HG ARG 67 -3.061 8.840 8.840 483 1HD ARG 67 2HD ARG 67 -1.206 10.860 10.860 484 2HD ARG 67 1HD ARG 67 -2.637 11.642 11.642 485 HE ARG 67 HE ARG 67 -2.613 10.085 10.085 486 1HH1 ARG 67 1HH2 ARG 67 -4.483 11.817 11.817 487 2HH1 ARG 67 2HH2 ARG 67 -5.990 11.089 11.089 488 1HH2 ARG 67 2HH1 ARG 67 -4.536 8.722 8.722 489 2HH2 ARG 67 1HH1 ARG 67 -6.020 9.335 9.335 490 H ASP 68 H ASP 68 -3.502 8.436 8.436 491 HA ASP 68 HA ASP 68 -4.026 5.607 5.607 492 1HB ASP 68 2HB ASP 68 -6.387 6.422 6.422 493 2HB ASP 68 1HB ASP 68 -5.521 7.324 7.324 494 H GLU 69 H GLU 69 -4.291 7.796 7.796 495 HA GLU 69 HA GLU 69 -5.408 5.951 5.951 496 1HB GLU 69 2HB GLU 69 -3.482 8.247 8.247 497 2HB GLU 69 1HB GLU 69 -4.627 7.595 7.595 498 1HG GLU 69 2HG GLU 69 -6.475 8.173 8.173 499 2HG GLU 69 1HG GLU 69 -5.270 9.031 9.031 500 H PHE 70 H PHE 70 -2.004 6.868 6.868 501 HA PHE 70 HA PHE 70 -0.804 5.124 5.124 502 1HB PHE 70 2HB PHE 70 0.248 7.003 7.003 503 2HB PHE 70 1HB PHE 70 0.212 5.971 5.971 504 HD1 PHE 70 HD2 PHE 70 1.527 3.858 3.858 505 HD2 PHE 70 HD1 PHE 70 1.851 6.656 6.656 506 HE1 PHE 70 HE2 PHE 70 3.630 2.767 2.767 507 HE2 PHE 70 HE1 PHE 70 3.956 5.568 5.568 508 HZ PHE 70 HZ PHE 70 4.843 3.623 3.623 509 H ALA 71 H ALA 71 -2.191 4.540 4.540 510 HA ALA 71 HA ALA 71 -0.938 2.001 2.001 511 1HB ALA 71 1HB ALA 71 -2.451 3.738 3.738 512 2HB ALA 71 3HB ALA 71 -3.726 2.622 2.622 513 3HB ALA 71 2HB ALA 71 -2.356 2.037 2.037 514 H VAL 72 H VAL 72 -4.041 2.895 2.895 515 HA VAL 72 HA VAL 72 -5.000 0.271 0.271 516 HB VAL 72 HB VAL 72 -5.363 2.881 2.881 517 1HG1 VAL 72 3HG1 VAL 72 -6.376 0.209 0.209 518 2HG1 VAL 72 2HG1 VAL 72 -7.700 1.313 1.313 519 3HG1 VAL 72 1HG1 VAL 72 -6.608 1.668 1.668 520 1HG2 VAL 72 3HG2 VAL 72 -5.893 2.790 2.790 521 2HG2 VAL 72 2HG2 VAL 72 -7.208 3.302 3.302 522 3HG2 VAL 72 1HG2 VAL 72 -7.178 1.657 1.657 523 H ALA 73 H ALA 73 -2.528 2.173 2.173 524 HA ALA 73 HA ALA 73 -2.539 0.516 0.516 525 1HB ALA 73 1HB ALA 73 -1.510 3.064 3.064 526 2HB ALA 73 3HB ALA 73 -0.274 2.157 2.157 527 3HB ALA 73 2HB ALA 73 -1.813 2.536 2.536 528 H MET 74 H MET 74 -1.243 0.205 0.205 529 HA MET 74 HA MET 74 1.285 -1.054 -1.054 530 1HB MET 74 2HB MET 74 -0.008 -0.727 -0.727 531 2HB MET 74 1HB MET 74 1.638 -1.274 -1.274 532 1HG MET 74 2HG MET 74 0.584 1.448 1.448 533 2HG MET 74 1HG MET 74 2.248 0.895 0.895 534 1HE MET 74 3HE MET 74 3.112 -0.416 -0.416 535 2HE MET 74 2HE MET 74 3.000 0.055 0.055 536 3HE MET 74 1HE MET 74 3.973 1.015 1.015 537 H PHE 75 H PHE 75 -1.752 -2.051 -2.051 538 HA PHE 75 HA PHE 75 -0.967 -4.863 -4.863 539 1HB PHE 75 2HB PHE 75 -2.977 -5.195 -5.195 540 2HB PHE 75 1HB PHE 75 -2.630 -3.516 -3.516 541 HD1 PHE 75 HD1 PHE 75 -4.594 -5.718 -5.718 542 HD2 PHE 75 HD2 PHE 75 -4.035 -1.752 -1.752 543 HE1 PHE 75 HE1 PHE 75 -6.741 -5.017 -5.017 544 HE2 PHE 75 HE2 PHE 75 -6.170 -1.052 -1.052 545 HZ PHE 75 HZ PHE 75 -7.531 -2.682 -2.682 546 H LEU 76 H LEU 76 -2.543 -2.573 -2.573 547 HA LEU 76 HA LEU 76 -3.829 -4.442 -4.442 548 1HB LEU 76 2HB LEU 76 -3.224 -1.567 -1.567 549 2HB LEU 76 1HB LEU 76 -3.265 -2.156 -2.156 550 HG LEU 76 HG LEU 76 -5.446 -2.705 -2.705 551 1HD1 LEU 76 1HD1 LEU 76 -5.062 -0.240 -0.240 552 2HD1 LEU 76 3HD1 LEU 76 -5.632 -0.763 -0.763 553 3HD1 LEU 76 2HD1 LEU 76 -6.686 -0.904 -0.904 554 1HD2 LEU 76 2HD2 LEU 76 -5.146 -4.279 -4.279 555 2HD2 LEU 76 1HD2 LEU 76 -6.706 -3.457 -3.457 556 3HD2 LEU 76 3HD2 LEU 76 -5.442 -2.910 -2.910 557 H VAL 77 H VAL 77 -0.612 -3.130 -3.130 558 HA VAL 77 HA VAL 77 0.315 -4.183 -4.183 559 HB VAL 77 HB VAL 77 1.575 -2.691 -2.691 560 1HG1 VAL 77 1HG1 VAL 77 2.856 -4.257 -4.257 561 2HG1 VAL 77 3HG1 VAL 77 3.224 -2.549 -2.549 562 3HG1 VAL 77 2HG1 VAL 77 3.601 -3.322 -3.322 563 1HG2 VAL 77 3HG2 VAL 77 -0.004 -1.458 -1.458 564 2HG2 VAL 77 2HG2 VAL 77 1.642 -0.832 -0.832 565 3HG2 VAL 77 1HG2 VAL 77 1.021 -1.865 -1.865 566 H TYR 78 H TYR 78 0.381 -4.972 -4.972 567 HA TYR 78 HA TYR 78 2.388 -7.084 -7.084 568 1HB TYR 78 2HB TYR 78 0.725 -5.776 -5.776 569 2HB TYR 78 1HB TYR 78 1.053 -7.483 -7.483 570 HD1 TYR 78 HD2 TYR 78 3.681 -7.907 -7.907 571 HD2 TYR 78 HD1 TYR 78 2.186 -4.535 -4.535 572 HE1 TYR 78 HE2 TYR 78 5.993 -7.339 -7.339 573 HE2 TYR 78 HE1 TYR 78 4.493 -3.963 -3.963 574 HH TYR 78 HH TYR 78 7.031 -6.044 -6.044 575 H CYS 79 H CYS 79 -1.097 -6.841 -6.841 576 HA CYS 79 HA CYS 79 -1.504 -9.752 -9.752 577 1HB CYS 79 2HB CYS 79 -3.005 -7.564 -7.564 578 2HB CYS 79 1HB CYS 79 -3.598 -7.941 -7.941 579 HG CYS 79 HG CYS 79 -4.882 -9.310 -9.310 580 H ALA 80 H ALA 80 -0.590 -7.560 -7.560 581 HA ALA 80 HA ALA 80 -1.846 -9.016 -9.016 582 1HB ALA 80 3HB ALA 80 -0.088 -6.628 -6.628 583 2HB ALA 80 2HB ALA 80 -0.164 -7.341 -7.341 584 3HB ALA 80 1HB ALA 80 -1.631 -6.733 -6.733 585 H LEU 81 H LEU 81 1.065 -9.096 -9.096 586 HA LEU 81 HA LEU 81 2.600 -10.562 -10.562 587 1HB LEU 81 2HB LEU 81 3.307 -9.942 -9.942 588 2HB LEU 81 1HB LEU 81 4.413 -10.245 -10.245 589 HG LEU 81 HG LEU 81 2.506 -8.010 -8.010 590 1HD1 LEU 81 3HD1 LEU 81 3.152 -7.868 -7.868 591 2HD1 LEU 81 2HD1 LEU 81 4.844 -7.805 -7.805 592 3HD1 LEU 81 1HD1 LEU 81 3.742 -6.508 -6.508 593 1HD2 LEU 81 3HD2 LEU 81 4.330 -8.714 -8.714 594 2HD2 LEU 81 2HD2 LEU 81 4.443 -7.030 -7.030 595 3HD2 LEU 81 1HD2 LEU 81 5.501 -8.247 -8.247 596 H GLU 82 H GLU 82 1.064 -11.106 -11.106 597 HA GLU 82 HA GLU 82 2.051 -13.767 -13.767 598 1HB GLU 82 2HB GLU 82 -0.026 -11.934 -11.934 599 2HB GLU 82 1HB GLU 82 -0.367 -13.647 -13.647 600 1HG GLU 82 2HG GLU 82 1.964 -13.883 -13.883 601 2HG GLU 82 1HG GLU 82 2.087 -12.123 -12.123 602 H LYS 83 H LYS 83 -1.042 -12.541 -12.541 603 HA LYS 83 HA LYS 83 -1.224 -14.456 -14.456 604 1HB LYS 83 2HB LYS 83 -1.764 -15.441 -15.441 605 2HB LYS 83 1HB LYS 83 -3.123 -15.720 -15.720 606 1HG LYS 83 2HG LYS 83 -0.892 -16.350 -16.350 607 2HG LYS 83 1HG LYS 83 -0.504 -17.005 -17.005 608 1HD LYS 83 2HD LYS 83 -2.810 -18.064 -18.064 609 2HD LYS 83 1HD LYS 83 -2.950 -17.594 -17.594 610 1HE LYS 83 2HE LYS 83 -0.960 -18.913 -18.913 611 2HE LYS 83 1HE LYS 83 -0.737 -19.341 -19.341 612 1HZ LYS 83 3HZ LYS 83 -3.404 -19.764 -19.764 613 2HZ LYS 83 2HZ LYS 83 -2.208 -20.788 -20.788 614 3HZ LYS 83 1HZ LYS 83 -2.484 -20.740 -20.740 615 H GLU 84 H GLU 84 -2.878 -12.295 -12.295 616 HA GLU 84 HA GLU 84 -5.445 -12.478 -12.478 617 1HB GLU 84 2HB GLU 84 -4.265 -10.931 -10.931 618 2HB GLU 84 1HB GLU 84 -5.810 -10.426 -10.426 619 1HG GLU 84 2HG GLU 84 -5.164 -13.188 -13.188 620 2HG GLU 84 1HG GLU 84 -6.178 -11.982 -11.982 621 HA PRO 85 HA PRO 85 -4.144 -9.467 -9.467 622 1HB PRO 85 2HB PRO 85 -6.540 -9.343 -9.343 623 2HB PRO 85 1HB PRO 85 -5.375 -10.663 -10.663 624 1HG PRO 85 2HG PRO 85 -7.861 -10.595 -10.595 625 2HG PRO 85 1HG PRO 85 -7.190 -11.906 -11.906 626 1HD PRO 85 2HD PRO 85 -6.973 -11.807 -11.807 627 2HD PRO 85 1HD PRO 85 -5.790 -12.619 -12.619 628 H VAL 86 H VAL 86 -5.397 -7.327 -7.327 629 HA VAL 86 HA VAL 86 -6.743 -6.100 -6.100 630 HB VAL 86 HB VAL 86 -4.490 -5.152 -5.152 631 1HG1 VAL 86 2HG1 VAL 86 -6.556 -3.562 -3.562 632 2HG1 VAL 86 1HG1 VAL 86 -4.886 -3.021 -3.021 633 3HG1 VAL 86 3HG1 VAL 86 -5.631 -3.154 -3.154 634 1HG2 VAL 86 2HG2 VAL 86 -3.941 -6.413 -6.413 635 2HG2 VAL 86 1HG2 VAL 86 -3.414 -4.734 -4.734 636 3HG2 VAL 86 3HG2 VAL 86 -4.880 -5.261 -5.261 637 HA PRO 87 HA PRO 87 -9.564 -4.920 -4.920 638 1HB PRO 87 2HB PRO 87 -11.579 -4.159 -4.159 639 2HB PRO 87 1HB PRO 87 -11.215 -5.859 -5.859 640 1HG PRO 87 2HG PRO 87 -10.754 -4.325 -4.325 641 2HG PRO 87 1HG PRO 87 -10.836 -6.074 -6.074 642 1HD PRO 87 2HD PRO 87 -8.506 -4.427 -4.427 643 2HD PRO 87 1HD PRO 87 -8.586 -6.190 -6.190 644 H MET 88 H MET 88 -11.270 -2.776 -2.776 645 HA MET 88 HA MET 88 -9.435 -0.480 -0.480 646 1HB MET 88 2HB MET 88 -11.297 0.410 0.410 647 2HB MET 88 1HB MET 88 -9.635 -0.034 -0.034 648 1HG MET 88 2HG MET 88 -10.986 -1.274 -1.274 649 2HG MET 88 1HG MET 88 -10.508 -2.433 -2.433 650 1HE MET 88 2HE MET 88 -12.980 0.056 0.056 651 2HE MET 88 1HE MET 88 -14.547 -0.363 -0.363 652 3HE MET 88 3HE MET 88 -13.339 0.467 0.467 653 H SER 89 H SER 89 -12.095 -1.996 -1.996 654 HA SER 89 HA SER 89 -13.649 0.506 0.506 655 1HB SER 89 2HB SER 89 -14.320 -2.414 -2.414 656 2HB SER 89 1HB SER 89 -15.437 -1.077 -1.077 657 HG SER 89 HG SER 89 -15.469 -2.130 -2.130 658 H LEU 90 H LEU 90 -12.613 1.418 1.418 659 HA LEU 90 HA LEU 90 -11.540 0.134 0.134 660 1HB LEU 90 2HB LEU 90 -12.121 2.740 2.740 661 2HB LEU 90 1HB LEU 90 -12.889 2.613 2.613 662 HG LEU 90 HG LEU 90 -10.015 1.848 1.848 663 1HD1 LEU 90 2HD1 LEU 90 -11.285 4.388 4.388 664 2HD1 LEU 90 1HD1 LEU 90 -9.630 3.958 3.958 665 3HD1 LEU 90 3HD1 LEU 90 -10.064 4.201 4.201 666 1HD2 LEU 90 2HD2 LEU 90 -11.844 1.617 1.617 667 2HD2 LEU 90 1HD2 LEU 90 -10.349 0.744 0.744 668 3HD2 LEU 90 3HD2 LEU 90 -10.286 2.348 2.348 669 HA PRO 91 HA PRO 91 -15.526 -1.470 -1.470 670 1HB PRO 91 2HB PRO 91 -14.450 -3.163 -3.163 671 2HB PRO 91 1HB PRO 91 -14.556 -3.566 -3.566 672 1HG PRO 91 2HG PRO 91 -12.235 -2.547 -2.547 673 2HG PRO 91 1HG PRO 91 -12.283 -3.791 -3.791 674 1HD PRO 91 2HD PRO 91 -11.435 -1.264 -1.264 675 2HD PRO 91 1HD PRO 91 -12.255 -2.248 -2.248 676 HA PRO 92 HA PRO 92 -16.065 1.019 1.019 677 1HB PRO 92 2HB PRO 92 -17.892 -0.413 -0.413 678 2HB PRO 92 1HB PRO 92 -18.307 0.466 0.466 679 1HG PRO 92 2HG PRO 92 -17.777 -2.437 -2.437 680 2HG PRO 92 1HG PRO 92 -18.984 -1.640 -1.640 681 1HD PRO 92 2HD PRO 92 -16.668 -2.683 -2.683 682 2HD PRO 92 1HD PRO 92 -17.500 -1.300 -1.300 683 H ALA 93 H ALA 93 -14.798 -2.151 -2.151 684 HA ALA 93 HA ALA 93 -14.269 -1.889 -1.889 685 1HB ALA 93 3HB ALA 93 -14.511 -3.956 -3.956 686 2HB ALA 93 2HB ALA 93 -12.859 -4.024 -4.024 687 3HB ALA 93 1HB ALA 93 -14.220 -4.141 -4.141 688 H LEU 94 H LEU 94 -13.102 -0.130 -0.130 689 HA LEU 94 HA LEU 94 -10.209 -0.523 -0.523 690 1HB LEU 94 2HB LEU 94 -11.737 -0.108 -0.108 691 2HB LEU 94 1HB LEU 94 -10.343 0.960 0.960 692 HG LEU 94 HG LEU 94 -9.700 -1.123 -1.123 693 1HD1 LEU 94 3HD1 LEU 94 -8.536 -0.055 -0.055 694 2HD1 LEU 94 2HD1 LEU 94 -8.310 -1.805 -1.805 695 3HD1 LEU 94 1HD1 LEU 94 -7.734 -0.850 -0.850 696 1HD2 LEU 94 2HD2 LEU 94 -11.462 -2.259 -2.259 697 2HD2 LEU 94 1HD2 LEU 94 -10.588 -3.092 -3.092 698 3HD2 LEU 94 3HD2 LEU 94 -9.859 -2.924 -2.924 699 H VAL 95 H VAL 95 -12.921 1.582 1.582 700 HA VAL 95 HA VAL 95 -11.368 4.076 4.076 701 HB VAL 95 HB VAL 95 -13.667 4.994 4.994 702 1HG1 VAL 95 1HG1 VAL 95 -12.704 4.458 4.458 703 2HG1 VAL 95 3HG1 VAL 95 -13.693 2.998 2.998 704 3HG1 VAL 95 2HG1 VAL 95 -14.460 4.585 4.585 705 1HG2 VAL 95 2HG2 VAL 95 -14.123 2.308 2.308 706 2HG2 VAL 95 1HG2 VAL 95 -15.288 3.632 3.632 707 3HG2 VAL 95 3HG2 VAL 95 -15.110 2.585 2.585 708 HA PRO 96 HA PRO 96 -10.755 3.531 3.531 709 1HB PRO 96 2HB PRO 96 -9.200 5.764 5.764 710 2HB PRO 96 1HB PRO 96 -8.572 4.242 4.242 711 1HG PRO 96 2HG PRO 96 -9.365 6.729 6.729 712 2HG PRO 96 1HG PRO 96 -8.049 5.600 5.600 713 1HD PRO 96 2HD PRO 96 -10.429 5.674 5.674 714 2HD PRO 96 1HD PRO 96 -9.381 4.244 4.244 715 HA PRO 97 HA PRO 97 -13.628 6.377 6.377 716 1HB PRO 97 2HB PRO 97 -12.454 7.360 7.360 717 2HB PRO 97 1HB PRO 97 -13.076 5.702 5.702 718 1HG PRO 97 2HG PRO 97 -10.275 6.695 6.695 719 2HG PRO 97 1HG PRO 97 -10.893 5.234 5.234 720 1HD PRO 97 2HD PRO 97 -9.714 5.204 5.204 721 2HD PRO 97 1HD PRO 97 -10.976 4.048 4.048 722 H SER 98 H SER 98 -12.722 7.635 7.635 723 HA SER 98 HA SER 98 -12.272 10.420 10.420 724 1HB SER 98 2HB SER 98 -10.227 8.903 8.903 725 2HB SER 98 1HB SER 98 -10.863 9.525 9.525 726 HG SER 98 HG SER 98 -10.558 11.320 11.320 727 H LYS 99 H LYS 99 -12.704 8.451 8.451 728 HA LYS 99 HA LYS 99 -14.535 10.486 10.486 729 1HB LYS 99 2HB LYS 99 -12.770 9.315 9.315 730 2HB LYS 99 1HB LYS 99 -13.591 7.786 7.786 731 1HG LYS 99 2HG LYS 99 -14.833 8.191 8.191 732 2HG LYS 99 1HG LYS 99 -15.613 9.482 9.482 733 1HD LYS 99 2HD LYS 99 -14.280 11.144 11.144 734 2HD LYS 99 1HD LYS 99 -12.977 10.019 10.019 735 1HE LYS 99 2HE LYS 99 -14.005 9.291 9.291 736 2HE LYS 99 1HE LYS 99 -15.636 9.630 9.630 737 1HZ LYS 99 2HZ LYS 99 -15.110 12.002 12.002 738 2HZ LYS 99 1HZ LYS 99 -13.582 11.658 11.658 739 3HZ LYS 99 3HZ LYS 99 -14.982 11.313 11.313 740 H ARG 100 H ARG 100 -14.895 8.348 8.348 741 HA ARG 100 HA ARG 100 -17.065 6.643 6.643 742 1HB ARG 100 2HB ARG 100 -16.372 7.688 7.688 743 2HB ARG 100 1HB ARG 100 -17.320 6.246 6.246 744 1HG ARG 100 2HG ARG 100 -14.397 6.708 6.708 745 2HG ARG 100 1HG ARG 100 -15.064 5.550 5.550 746 1HD ARG 100 2HD ARG 100 -15.636 5.480 5.480 747 2HD ARG 100 1HD ARG 100 -14.421 4.474 4.474 748 HE ARG 100 HE ARG 100 -17.355 4.262 4.262 749 1HH1 ARG 100 1HH2 ARG 100 -14.222 3.600 3.600 750 2HH1 ARG 100 2HH2 ARG 100 -14.668 2.067 2.067 751 1HH2 ARG 100 2HH1 ARG 100 -17.914 2.175 2.175 752 2HH2 ARG 100 1HH1 ARG 100 -16.756 1.261 1.261 Start of MODEL 18 1 HA PRO 6 HA PRO 6 -14.200 -1.686 -1.686 2 1HB PRO 6 2HB PRO 6 -12.338 -3.651 -3.651 3 2HB PRO 6 1HB PRO 6 -13.525 -3.680 -3.680 4 1HG PRO 6 2HG PRO 6 -13.517 -5.165 -5.165 5 2HG PRO 6 1HG PRO 6 -14.067 -5.679 -5.679 6 1HD PRO 6 2HD PRO 6 -15.738 -4.873 -4.873 7 2HD PRO 6 1HD PRO 6 -16.150 -4.805 -4.805 8 H TRP 7 H TRP 7 -11.628 -1.916 -1.916 9 HA TRP 7 HA TRP 7 -11.866 -0.691 -0.691 10 1HB TRP 7 2HB TRP 7 -10.693 0.411 0.411 11 2HB TRP 7 1HB TRP 7 -9.533 -0.919 -0.919 12 HD1 TRP 7 HD1 TRP 7 -10.844 0.220 0.220 13 HE1 TRP 7 HE1 TRP 7 -8.973 1.411 1.411 14 HE3 TRP 7 HE3 TRP 7 -7.329 0.623 0.623 15 HZ2 TRP 7 HZ2 TRP 7 -6.334 2.421 2.421 16 HZ3 TRP 7 HZ3 TRP 7 -5.145 1.707 1.707 17 HH2 TRP 7 HH2 TRP 7 -4.645 2.604 2.604 18 H ALA 8 H ALA 8 -10.965 -1.655 -1.655 19 HA ALA 8 HA ALA 8 -10.435 -4.440 -4.440 20 1HB ALA 8 2HB ALA 8 -11.097 -2.970 -2.970 21 2HB ALA 8 1HB ALA 8 -9.515 -2.189 -2.189 22 3HB ALA 8 3HB ALA 8 -9.639 -3.888 -3.888 23 H VAL 9 H VAL 9 -8.336 -1.727 -1.727 24 HA VAL 9 HA VAL 9 -5.913 -3.439 -3.439 25 HB VAL 9 HB VAL 9 -6.492 -0.513 -0.513 26 1HG1 VAL 9 3HG1 VAL 9 -3.820 -1.930 -1.930 27 2HG1 VAL 9 2HG1 VAL 9 -4.024 -0.180 -0.180 28 3HG1 VAL 9 1HG1 VAL 9 -4.663 -1.070 -1.070 29 1HG2 VAL 9 1HG2 VAL 9 -5.049 -2.153 -2.153 30 2HG2 VAL 9 3HG2 VAL 9 -6.500 -1.168 -1.168 31 3HG2 VAL 9 2HG2 VAL 9 -4.941 -0.395 -0.395 32 H LYS 10 H LYS 10 -4.439 -3.575 -3.575 33 HA LYS 10 HA LYS 10 -6.002 -3.657 -3.657 34 1HB LYS 10 2HB LYS 10 -3.946 -5.296 -5.296 35 2HB LYS 10 1HB LYS 10 -3.700 -5.099 -5.099 36 1HG LYS 10 2HG LYS 10 -6.061 -5.815 -5.815 37 2HG LYS 10 1HG LYS 10 -6.213 -6.116 -6.116 38 1HD LYS 10 2HD LYS 10 -3.829 -7.401 -7.401 39 2HD LYS 10 1HD LYS 10 -5.114 -7.840 -7.840 40 1HE LYS 10 2HE LYS 10 -5.956 -7.884 -7.884 41 2HE LYS 10 1HE LYS 10 -4.708 -9.080 -9.080 42 1HZ LYS 10 1HZ LYS 10 -6.985 -8.627 -8.627 43 2HZ LYS 10 3HZ LYS 10 -7.170 -9.648 -9.648 44 3HZ LYS 10 2HZ LYS 10 -6.002 -10.004 -10.004 45 HA PRO 11 HA PRO 11 -3.348 -0.754 -0.754 46 1HB PRO 11 2HB PRO 11 -2.735 -1.963 -1.963 47 2HB PRO 11 1HB PRO 11 -4.340 -1.288 -1.288 48 1HG PRO 11 2HG PRO 11 -3.410 -4.116 -4.116 49 2HG PRO 11 1HG PRO 11 -4.948 -3.455 -3.455 50 1HD PRO 11 2HD PRO 11 -4.663 -4.636 -4.636 51 2HD PRO 11 1HD PRO 11 -5.845 -3.347 -3.347 52 H GLU 12 H GLU 12 -2.198 -4.094 -4.094 53 HA GLU 12 HA GLU 12 0.614 -3.385 -3.385 54 1HB GLU 12 2HB GLU 12 -0.365 -5.970 -5.970 55 2HB GLU 12 1HB GLU 12 0.929 -5.711 -5.711 56 1HG GLU 12 2HG GLU 12 -1.149 -4.814 -4.814 57 2HG GLU 12 1HG GLU 12 -2.001 -5.975 -5.975 58 H ASP 13 H ASP 13 -1.565 -3.897 -3.897 59 HA ASP 13 HA ASP 13 0.562 -4.018 -4.018 60 1HB ASP 13 2HB ASP 13 -2.456 -3.855 -3.855 61 2HB ASP 13 1HB ASP 13 -1.564 -3.736 -3.736 62 H LYS 14 H LYS 14 -1.644 -1.643 -1.643 63 HA LYS 14 HA LYS 14 -1.051 0.480 0.480 64 1HB LYS 14 2HB LYS 14 -3.087 0.633 0.633 65 2HB LYS 14 1HB LYS 14 -2.339 0.185 0.185 66 1HG LYS 14 2HG LYS 14 -2.861 2.570 2.570 67 2HG LYS 14 1HG LYS 14 -1.111 2.352 2.352 68 1HD LYS 14 2HD LYS 14 -0.896 3.206 3.206 69 2HD LYS 14 1HD LYS 14 -2.421 2.509 2.509 70 1HE LYS 14 2HE LYS 14 -3.692 4.294 4.294 71 2HE LYS 14 1HE LYS 14 -2.425 4.772 4.772 72 1HZ LYS 14 1HZ LYS 14 -1.645 4.721 4.721 73 2HZ LYS 14 3HZ LYS 14 -2.757 5.933 5.933 74 3HZ LYS 14 2HZ LYS 14 -1.262 5.846 5.846 75 H ALA 15 H ALA 15 0.521 -0.862 -0.862 76 HA ALA 15 HA ALA 15 2.082 1.482 1.482 77 1HB ALA 15 3HB ALA 15 1.456 -0.668 -0.668 78 2HB ALA 15 2HB ALA 15 2.798 -1.420 -1.420 79 3HB ALA 15 1HB ALA 15 3.091 -0.038 -0.038 80 H LYS 16 H LYS 16 2.617 -1.415 -1.415 81 HA LYS 16 HA LYS 16 5.328 -0.651 -0.651 82 1HB LYS 16 2HB LYS 16 5.307 -2.713 -2.713 83 2HB LYS 16 1HB LYS 16 3.871 -2.931 -2.931 84 1HG LYS 16 2HG LYS 16 2.434 -2.290 -2.290 85 2HG LYS 16 1HG LYS 16 3.832 -1.887 -1.887 86 1HD LYS 16 2HD LYS 16 2.972 -4.623 -4.623 87 2HD LYS 16 1HD LYS 16 3.143 -4.072 -4.072 88 1HE LYS 16 2HE LYS 16 5.185 -5.113 -5.113 89 2HE LYS 16 1HE LYS 16 5.663 -3.598 -3.598 90 1HZ LYS 16 2HZ LYS 16 4.637 -4.692 -4.692 91 2HZ LYS 16 1HZ LYS 16 4.855 -6.150 -6.150 92 3HZ LYS 16 3HZ LYS 16 6.193 -5.172 -5.172 93 H TYR 17 H TYR 17 2.106 0.030 0.030 94 HA TYR 17 HA TYR 17 2.831 1.083 1.083 95 1HB TYR 17 2HB TYR 17 0.437 1.552 1.552 96 2HB TYR 17 1HB TYR 17 0.513 1.960 1.960 97 HD1 TYR 17 HD2 TYR 17 2.383 -0.906 -0.906 98 HD2 TYR 17 HD1 TYR 17 -1.690 0.361 0.361 99 HE1 TYR 17 HE2 TYR 17 1.605 -3.186 -3.186 100 HE2 TYR 17 HE1 TYR 17 -2.473 -1.918 -1.918 101 HH TYR 17 HH TYR 17 -1.734 -4.137 -4.137 102 H ASP 18 H ASP 18 2.283 2.359 2.359 103 HA ASP 18 HA ASP 18 2.570 5.160 5.160 104 1HB ASP 18 2HB ASP 18 1.517 3.840 3.840 105 2HB ASP 18 1HB ASP 18 3.126 4.104 4.104 106 H ALA 19 H ALA 19 4.808 2.604 2.604 107 HA ALA 19 HA ALA 19 7.057 4.427 4.427 108 1HB ALA 19 2HB ALA 19 6.382 1.648 1.648 109 2HB ALA 19 1HB ALA 19 7.855 1.748 1.748 110 3HB ALA 19 3HB ALA 19 7.794 2.497 2.497 111 H ILE 20 H ILE 20 5.654 2.532 2.532 112 HA ILE 20 HA ILE 20 7.777 2.981 2.981 113 HB ILE 20 HB ILE 20 4.954 1.891 1.891 114 1HG1 ILE 20 2HG1 ILE 20 7.576 0.562 0.562 115 2HG1 ILE 20 1HG1 ILE 20 6.916 0.577 0.577 116 1HG2 ILE 20 2HG2 ILE 20 5.729 3.107 3.107 117 2HG2 ILE 20 1HG2 ILE 20 6.615 1.602 1.602 118 3HG2 ILE 20 3HG2 ILE 20 4.862 1.576 1.576 119 1HD1 ILE 20 3HD1 ILE 20 5.447 -0.497 -0.497 120 2HD1 ILE 20 2HD1 ILE 20 6.327 -1.497 -1.497 121 3HD1 ILE 20 1HD1 ILE 20 4.912 -0.584 -0.584 122 H PHE 21 H PHE 21 4.792 4.467 4.467 123 HA PHE 21 HA PHE 21 4.452 6.276 6.276 124 1HB PHE 21 2HB PHE 21 2.479 5.959 5.959 125 2HB PHE 21 1HB PHE 21 3.306 5.736 5.736 126 HD1 PHE 21 HD2 PHE 21 4.383 7.833 7.833 127 HD2 PHE 21 HD1 PHE 21 1.426 8.014 8.014 128 HE1 PHE 21 HE2 PHE 21 3.869 10.174 10.174 129 HE2 PHE 21 HE1 PHE 21 0.910 10.358 10.358 130 HZ PHE 21 HZ PHE 21 2.134 11.437 11.437 131 H ASP 22 H ASP 22 5.970 6.404 6.404 132 HA ASP 22 HA ASP 22 6.833 9.207 9.207 133 1HB ASP 22 2HB ASP 22 6.092 8.632 8.632 134 2HB ASP 22 1HB ASP 22 6.979 7.105 7.105 135 H SER 23 H SER 23 7.901 6.297 6.297 136 HA SER 23 HA SER 23 10.800 6.767 6.767 137 1HB SER 23 2HB SER 23 10.347 4.488 4.488 138 2HB SER 23 1HB SER 23 9.007 4.608 4.608 139 HG SER 23 HG SER 23 11.641 4.100 4.100 140 H LEU 24 H LEU 24 8.408 7.861 7.861 141 HA LEU 24 HA LEU 24 10.219 8.208 8.208 142 1HB LEU 24 2HB LEU 24 7.336 8.841 8.841 143 2HB LEU 24 1HB LEU 24 8.346 7.906 7.906 144 HG LEU 24 HG LEU 24 7.283 6.887 6.887 145 1HD1 LEU 24 2HD1 LEU 24 5.814 7.361 7.361 146 2HD1 LEU 24 1HD1 LEU 24 6.302 5.679 5.679 147 3HD1 LEU 24 3HD1 LEU 24 5.408 6.169 6.169 148 1HD2 LEU 24 1HD2 LEU 24 8.976 5.763 5.763 149 2HD2 LEU 24 3HD2 LEU 24 9.133 5.554 5.554 150 3HD2 LEU 24 2HD2 LEU 24 7.878 4.686 4.686 151 H SER 25 H SER 25 9.009 9.723 9.723 152 HA SER 25 HA SER 25 9.259 11.979 11.979 153 1HB SER 25 2HB SER 25 10.916 11.909 11.909 154 2HB SER 25 1HB SER 25 9.641 12.816 12.816 155 HG SER 25 HG SER 25 9.771 14.355 14.355 156 HA PRO 26 HA PRO 26 4.909 12.345 12.345 157 1HB PRO 26 2HB PRO 26 4.117 13.237 13.237 158 2HB PRO 26 1HB PRO 26 4.355 11.516 11.516 159 1HG PRO 26 2HG PRO 26 6.164 13.417 13.417 160 2HG PRO 26 1HG PRO 26 5.804 11.722 11.722 161 1HD PRO 26 2HD PRO 26 8.078 12.511 12.511 162 2HD PRO 26 1HD PRO 26 7.313 10.930 10.930 163 H VAL 27 H VAL 27 3.749 14.194 14.194 164 HA VAL 27 HA VAL 27 5.098 16.817 16.817 165 HB VAL 27 HB VAL 27 3.415 15.934 15.934 166 1HG1 VAL 27 2HG1 VAL 27 3.529 18.421 18.421 167 2HG1 VAL 27 1HG1 VAL 27 5.228 18.342 18.342 168 3HG1 VAL 27 3HG1 VAL 27 3.971 18.020 18.020 169 1HG2 VAL 27 1HG2 VAL 27 5.805 14.913 14.913 170 2HG2 VAL 27 3HG2 VAL 27 5.392 15.503 15.503 171 3HG2 VAL 27 2HG2 VAL 27 6.368 16.498 16.498 172 H ASN 28 H ASN 28 3.844 17.529 17.529 173 HA ASN 28 HA ASN 28 1.936 18.356 18.356 174 1HB ASN 28 2HB ASN 28 1.761 19.739 19.739 175 2HB ASN 28 1HB ASN 28 1.049 18.411 18.411 176 1HD2 ASN 28 1HD2 ASN 28 -1.209 18.255 18.255 177 2HD2 ASN 28 2HD2 ASN 28 -2.216 19.104 19.104 178 H GLY 29 H GLY 29 2.301 15.428 15.428 179 1HA GLY 29 2HA GLY 29 1.020 13.589 13.589 180 2HA GLY 29 1HA GLY 29 -0.426 14.597 14.597 181 H PHE 30 H PHE 30 1.840 14.158 14.158 182 HA PHE 30 HA PHE 30 -0.048 12.335 12.335 183 1HB PHE 30 2HB PHE 30 0.693 15.141 15.141 184 2HB PHE 30 1HB PHE 30 -0.106 13.968 13.968 185 HD1 PHE 30 HD2 PHE 30 -2.316 13.018 13.018 186 HD2 PHE 30 HD1 PHE 30 -0.509 16.326 16.326 187 HE1 PHE 30 HE2 PHE 30 -4.517 13.603 13.603 188 HE2 PHE 30 HE1 PHE 30 -2.691 16.911 16.911 189 HZ PHE 30 HZ PHE 30 -4.703 15.552 15.552 190 H LEU 31 H LEU 31 0.907 11.323 11.323 191 HA LEU 31 HA LEU 31 3.845 11.846 11.846 192 1HB LEU 31 2HB LEU 31 2.303 9.267 9.267 193 2HB LEU 31 1HB LEU 31 3.840 9.324 9.324 194 HG LEU 31 HG LEU 31 3.545 10.404 10.404 195 1HD1 LEU 31 3HD1 LEU 31 3.216 7.734 7.734 196 2HD1 LEU 31 2HD1 LEU 31 4.925 7.840 7.840 197 3HD1 LEU 31 1HD1 LEU 31 3.697 8.326 8.326 198 1HD2 LEU 31 3HD2 LEU 31 5.789 9.778 9.778 199 2HD2 LEU 31 2HD2 LEU 31 5.547 11.211 11.211 200 3HD2 LEU 31 1HD2 LEU 31 6.080 9.697 9.697 201 H SER 32 H SER 32 4.245 12.490 12.490 202 HA SER 32 HA SER 32 2.233 12.490 12.490 203 1HB SER 32 2HB SER 32 5.135 12.937 12.937 204 2HB SER 32 1HB SER 32 3.738 13.878 13.878 205 HG SER 32 HG SER 32 4.800 15.023 15.023 206 H GLY 33 H GLY 33 2.020 11.150 11.150 207 1HA GLY 33 2HA GLY 33 2.811 8.486 8.486 208 2HA GLY 33 1HA GLY 33 2.456 9.366 9.366 209 H ASP 34 H ASP 34 4.701 11.289 11.289 210 HA ASP 34 HA ASP 34 6.758 10.110 10.110 211 1HB ASP 34 2HB ASP 34 6.506 12.418 12.418 212 2HB ASP 34 1HB ASP 34 8.085 12.019 12.019 213 H LYS 35 H LYS 35 6.234 10.139 10.139 214 HA LYS 35 HA LYS 35 8.782 8.661 8.661 215 1HB LYS 35 2HB LYS 35 8.489 9.344 9.344 216 2HB LYS 35 1HB LYS 35 7.999 10.720 10.720 217 1HG LYS 35 2HG LYS 35 5.646 9.374 9.374 218 2HG LYS 35 1HG LYS 35 6.392 9.009 9.009 219 1HD LYS 35 2HD LYS 35 5.868 11.736 11.736 220 2HD LYS 35 1HD LYS 35 5.163 11.056 11.056 221 1HE LYS 35 2HE LYS 35 7.292 11.123 11.123 222 2HE LYS 35 1HE LYS 35 8.131 11.585 11.585 223 1HZ LYS 35 2HZ LYS 35 6.192 13.403 13.403 224 2HZ LYS 35 1HZ LYS 35 6.427 13.184 13.184 225 3HZ LYS 35 3HZ LYS 35 7.724 13.661 13.661 226 H VAL 36 H VAL 36 5.330 8.344 8.344 227 HA VAL 36 HA VAL 36 5.313 5.759 5.759 228 HB VAL 36 HB VAL 36 3.262 7.342 7.342 229 1HG1 VAL 36 1HG1 VAL 36 3.222 4.609 4.609 230 2HG1 VAL 36 3HG1 VAL 36 2.032 5.542 5.542 231 3HG1 VAL 36 2HG1 VAL 36 1.967 5.505 5.505 232 1HG2 VAL 36 3HG2 VAL 36 4.044 7.126 7.126 233 2HG2 VAL 36 2HG2 VAL 36 3.699 8.568 8.568 234 3HG2 VAL 36 1HG2 VAL 36 2.379 7.524 7.524 235 H LYS 37 H LYS 37 4.712 6.890 6.890 236 HA LYS 37 HA LYS 37 4.128 4.574 4.574 237 1HB LYS 37 2HB LYS 37 4.326 6.710 6.710 238 2HB LYS 37 1HB LYS 37 6.037 6.824 6.824 239 1HG LYS 37 2HG LYS 37 6.671 5.419 5.419 240 2HG LYS 37 1HG LYS 37 5.228 4.414 4.414 241 1HD LYS 37 2HD LYS 37 4.648 7.149 7.149 242 2HD LYS 37 1HD LYS 37 5.671 6.245 6.245 243 1HE LYS 37 2HE LYS 37 4.035 4.615 4.615 244 2HE LYS 37 1HE LYS 37 3.212 4.940 4.940 245 1HZ LYS 37 1HZ LYS 37 3.456 7.016 7.016 246 2HZ LYS 37 3HZ LYS 37 2.168 5.911 5.911 247 3HZ LYS 37 2HZ LYS 37 2.379 6.959 6.959 248 HA PRO 38 HA PRO 38 8.773 3.286 3.286 249 1HB PRO 38 2HB PRO 38 10.422 4.434 4.434 250 2HB PRO 38 1HB PRO 38 10.213 5.093 5.093 251 1HG PRO 38 2HG PRO 38 8.918 5.933 5.933 252 2HG PRO 38 1HG PRO 38 9.598 6.932 6.932 253 1HD PRO 38 2HD PRO 38 6.961 6.537 6.537 254 2HD PRO 38 1HD PRO 38 7.748 6.670 6.670 255 H VAL 39 H VAL 39 7.356 4.267 4.267 256 HA VAL 39 HA VAL 39 8.350 2.069 2.069 257 HB VAL 39 HB VAL 39 6.299 4.256 4.256 258 1HG1 VAL 39 2HG1 VAL 39 6.241 1.734 1.734 259 2HG1 VAL 39 1HG1 VAL 39 6.109 3.211 3.211 260 3HG1 VAL 39 3HG1 VAL 39 4.945 2.884 2.884 261 1HG2 VAL 39 3HG2 VAL 39 8.938 4.077 4.077 262 2HG2 VAL 39 2HG2 VAL 39 7.799 5.229 5.229 263 3HG2 VAL 39 1HG2 VAL 39 8.150 3.715 3.715 264 H LEU 40 H LEU 40 5.982 2.354 2.354 265 HA LEU 40 HA LEU 40 4.398 0.037 0.037 266 1HB LEU 40 2HB LEU 40 4.127 1.992 1.992 267 2HB LEU 40 1HB LEU 40 2.994 0.673 0.673 268 HG LEU 40 HG LEU 40 3.657 2.875 2.875 269 1HD1 LEU 40 1HD1 LEU 40 1.561 2.542 2.542 270 2HD1 LEU 40 3HD1 LEU 40 1.045 3.203 3.203 271 3HD1 LEU 40 2HD1 LEU 40 2.303 4.017 4.017 272 1HD2 LEU 40 2HD2 LEU 40 1.787 0.502 0.502 273 2HD2 LEU 40 1HD2 LEU 40 3.027 0.939 0.939 274 3HD2 LEU 40 3HD2 LEU 40 1.553 1.898 1.898 275 H LEU 41 H LEU 41 6.976 0.892 0.892 276 HA LEU 41 HA LEU 41 6.687 -1.320 -1.320 277 1HB LEU 41 2HB LEU 41 8.908 0.620 0.620 278 2HB LEU 41 1HB LEU 41 8.991 -0.512 -0.512 279 HG LEU 41 HG LEU 41 6.768 1.506 1.506 280 1HD1 LEU 41 2HD1 LEU 41 9.506 1.872 1.872 281 2HD1 LEU 41 1HD1 LEU 41 8.434 2.151 2.151 282 3HD1 LEU 41 3HD1 LEU 41 8.220 3.073 3.073 283 1HD2 LEU 41 2HD2 LEU 41 6.786 -0.758 -0.758 284 2HD2 LEU 41 1HD2 LEU 41 5.967 0.709 0.709 285 3HD2 LEU 41 3HD2 LEU 41 7.577 0.323 0.323 286 H ASN 42 H ASN 42 8.508 -0.614 -0.614 287 HA ASN 42 HA ASN 42 10.345 -2.700 -2.700 288 1HB ASN 42 2HB ASN 42 10.228 -2.394 -2.394 289 2HB ASN 42 1HB ASN 42 9.729 -0.845 -0.845 290 1HD2 ASN 42 1HD2 ASN 42 7.076 -1.264 -1.264 291 2HD2 ASN 42 2HD2 ASN 42 6.162 -1.705 -1.705 292 H SER 43 H SER 43 6.867 -2.876 -2.876 293 HA SER 43 HA SER 43 6.597 -5.518 -5.518 294 1HB SER 43 2HB SER 43 4.599 -4.296 -4.296 295 2HB SER 43 1HB SER 43 4.349 -5.059 -5.059 296 HG SER 43 HG SER 43 5.058 -2.449 -2.449 297 H LYS 44 H LYS 44 8.079 -4.726 -4.726 298 HA LYS 44 HA LYS 44 8.503 -5.926 -5.926 299 1HB LYS 44 2HB LYS 44 8.599 -7.628 -7.628 300 2HB LYS 44 1HB LYS 44 7.232 -8.338 -8.338 301 1HG LYS 44 2HG LYS 44 8.509 -8.942 -8.942 302 2HG LYS 44 1HG LYS 44 9.640 -7.606 -7.606 303 1HD LYS 44 2HD LYS 44 9.477 -9.887 -9.887 304 2HD LYS 44 1HD LYS 44 10.512 -9.965 -9.965 305 1HE LYS 44 2HE LYS 44 11.989 -8.402 -8.402 306 2HE LYS 44 1HE LYS 44 10.713 -7.493 -7.493 307 1HZ LYS 44 1HZ LYS 44 11.405 -10.246 -10.246 308 2HZ LYS 44 3HZ LYS 44 12.284 -8.926 -8.926 309 3HZ LYS 44 2HZ LYS 44 10.615 -9.039 -9.039 310 H LEU 45 H LEU 45 5.605 -4.899 -4.899 311 HA LEU 45 HA LEU 45 3.957 -6.591 -6.591 312 1HB LEU 45 2HB LEU 45 3.549 -4.430 -4.430 313 2HB LEU 45 1HB LEU 45 2.282 -4.705 -4.705 314 HG LEU 45 HG LEU 45 3.480 -6.874 -6.874 315 1HD1 LEU 45 3HD1 LEU 45 1.992 -4.926 -4.926 316 2HD1 LEU 45 2HD1 LEU 45 0.680 -5.859 -5.859 317 3HD1 LEU 45 1HD1 LEU 45 1.739 -6.604 -6.604 318 1HD2 LEU 45 3HD2 LEU 45 2.230 -7.182 -7.182 319 2HD2 LEU 45 2HD2 LEU 45 2.069 -8.343 -8.343 320 3HD2 LEU 45 1HD2 LEU 45 0.824 -7.120 -7.120 321 HA PRO 46 HA PRO 46 4.305 -3.836 -3.836 322 1HB PRO 46 2HB PRO 46 1.821 -4.079 -4.079 323 2HB PRO 46 1HB PRO 46 3.067 -5.338 -5.338 324 1HG PRO 46 2HG PRO 46 0.672 -5.187 -5.187 325 2HG PRO 46 1HG PRO 46 1.439 -6.590 -6.590 326 1HD PRO 46 2HD PRO 46 1.727 -5.897 -5.897 327 2HD PRO 46 1HD PRO 46 2.884 -6.889 -6.889 328 H VAL 47 H VAL 47 3.557 -1.735 -1.735 329 HA VAL 47 HA VAL 47 2.766 0.092 0.092 330 HB VAL 47 HB VAL 47 2.882 0.112 0.112 331 1HG1 VAL 47 2HG1 VAL 47 1.677 2.123 2.123 332 2HG1 VAL 47 1HG1 VAL 47 2.730 2.739 2.739 333 3HG1 VAL 47 3HG1 VAL 47 1.308 1.782 1.782 334 1HG2 VAL 47 2HG2 VAL 47 4.707 0.527 0.527 335 2HG2 VAL 47 1HG2 VAL 47 5.025 0.656 0.656 336 3HG2 VAL 47 3HG2 VAL 47 4.489 2.071 2.071 337 H ASP 48 H ASP 48 0.825 -2.123 -2.123 338 HA ASP 48 HA ASP 48 -1.611 -0.567 -0.567 339 1HB ASP 48 2HB ASP 48 -0.611 -3.185 -3.185 340 2HB ASP 48 1HB ASP 48 -2.156 -3.323 -3.323 341 H ILE 49 H ILE 49 -0.094 -2.772 -2.772 342 HA ILE 49 HA ILE 49 -2.304 -2.900 -2.900 343 HB ILE 49 HB ILE 49 0.671 -3.136 -3.136 344 1HG1 ILE 49 2HG1 ILE 49 0.162 -4.530 -4.530 345 2HG1 ILE 49 1HG1 ILE 49 0.366 -5.560 -5.560 346 1HG2 ILE 49 3HG2 ILE 49 -1.746 -3.594 -3.594 347 2HG2 ILE 49 2HG2 ILE 49 -0.806 -5.080 -5.080 348 3HG2 ILE 49 1HG2 ILE 49 -0.067 -3.630 -3.630 349 1HD1 ILE 49 2HD1 ILE 49 -2.334 -4.569 -4.569 350 2HD1 ILE 49 1HD1 ILE 49 -1.646 -6.117 -6.117 351 3HD1 ILE 49 3HD1 ILE 49 -2.001 -5.815 -5.815 352 H LEU 50 H LEU 50 0.644 -0.995 -0.995 353 HA LEU 50 HA LEU 50 0.250 0.667 0.667 354 1HB LEU 50 2HB LEU 50 1.678 1.422 1.422 355 2HB LEU 50 1HB LEU 50 2.115 1.858 1.858 356 HG LEU 50 HG LEU 50 2.485 -0.761 -0.761 357 1HD1 LEU 50 3HD1 LEU 50 4.205 1.211 1.211 358 2HD1 LEU 50 2HD1 LEU 50 4.355 0.462 0.462 359 3HD1 LEU 50 1HD1 LEU 50 4.719 -0.471 -0.471 360 1HD2 LEU 50 2HD2 LEU 50 1.709 -0.384 -0.384 361 2HD2 LEU 50 1HD2 LEU 50 1.713 -1.851 -1.851 362 3HD2 LEU 50 3HD2 LEU 50 3.198 -1.301 -1.301 363 H GLY 51 H GLY 51 -1.143 0.607 0.607 364 1HA GLY 51 2HA GLY 51 -2.034 3.415 3.415 365 2HA GLY 51 1HA GLY 51 -2.423 2.252 2.252 366 H ARG 52 H ARG 52 -3.233 0.196 0.196 367 HA ARG 52 HA ARG 52 -5.977 1.192 1.192 368 1HB ARG 52 2HB ARG 52 -5.024 -1.094 -1.094 369 2HB ARG 52 1HB ARG 52 -5.093 -1.578 -1.578 370 1HG ARG 52 2HG ARG 52 -7.487 -0.517 -0.517 371 2HG ARG 52 1HG ARG 52 -7.331 -0.741 -0.741 372 1HD ARG 52 2HD ARG 52 -7.066 -2.909 -2.909 373 2HD ARG 52 1HD ARG 52 -8.392 -2.724 -2.724 374 HE ARG 52 HE ARG 52 -5.667 -3.651 -3.651 375 1HH1 ARG 52 1HH2 ARG 52 -8.474 -4.595 -4.595 376 2HH1 ARG 52 2HH2 ARG 52 -8.372 -4.156 -4.156 377 1HH2 ARG 52 2HH1 ARG 52 -5.598 -2.120 -2.120 378 2HH2 ARG 52 1HH1 ARG 52 -6.742 -2.753 -2.753 379 H VAL 53 H VAL 53 -3.496 -0.627 -0.627 380 HA VAL 53 HA VAL 53 -4.675 -0.504 -0.504 381 HB VAL 53 HB VAL 53 -1.804 -0.366 -0.366 382 1HG1 VAL 53 3HG1 VAL 53 -2.703 0.362 0.362 383 2HG1 VAL 53 2HG1 VAL 53 -2.125 -1.294 -1.294 384 3HG1 VAL 53 1HG1 VAL 53 -1.053 -0.043 -0.043 385 1HG2 VAL 53 1HG2 VAL 53 -3.578 -2.402 -2.402 386 2HG2 VAL 53 3HG2 VAL 53 -1.854 -2.660 -2.660 387 3HG2 VAL 53 2HG2 VAL 53 -2.962 -2.656 -2.656 388 H TRP 54 H TRP 54 -2.797 1.997 1.997 389 HA TRP 54 HA TRP 54 -2.693 3.884 3.884 390 1HB TRP 54 2HB TRP 54 -1.259 4.146 4.146 391 2HB TRP 54 1HB TRP 54 -2.636 4.120 4.120 392 HD1 TRP 54 HD1 TRP 54 -4.377 6.222 6.222 393 HE1 TRP 54 HE1 TRP 54 -3.914 8.691 8.691 394 HE3 TRP 54 HE3 TRP 54 0.212 5.757 5.757 395 HZ2 TRP 54 HZ2 TRP 54 -1.857 10.261 10.261 396 HZ3 TRP 54 HZ3 TRP 54 1.400 7.749 7.749 397 HH2 TRP 54 HH2 TRP 54 0.373 9.998 9.998 398 H GLU 55 H GLU 55 -4.833 3.785 3.785 399 HA GLU 55 HA GLU 55 -6.601 5.831 5.831 400 1HB GLU 55 2HB GLU 55 -7.043 3.049 3.049 401 2HB GLU 55 1HB GLU 55 -8.292 4.294 4.294 402 1HG GLU 55 2HG GLU 55 -5.516 4.669 4.669 403 2HG GLU 55 1HG GLU 55 -6.913 4.163 4.163 404 H LEU 56 H LEU 56 -7.027 2.451 2.451 405 HA LEU 56 HA LEU 56 -9.199 3.132 3.132 406 1HB LEU 56 2HB LEU 56 -7.323 0.753 0.753 407 2HB LEU 56 1HB LEU 56 -8.796 0.790 0.790 408 HG LEU 56 HG LEU 56 -9.102 1.592 1.592 409 1HD1 LEU 56 1HD1 LEU 56 -7.593 -0.691 -0.691 410 2HD1 LEU 56 3HD1 LEU 56 -9.218 -1.306 -1.306 411 3HD1 LEU 56 2HD1 LEU 56 -8.406 -0.323 -0.323 412 1HD2 LEU 56 3HD2 LEU 56 -10.622 0.143 0.143 413 2HD2 LEU 56 2HD2 LEU 56 -11.156 1.445 1.445 414 3HD2 LEU 56 1HD2 LEU 56 -11.038 -0.202 -0.202 415 H SER 57 H SER 57 -5.847 3.600 3.600 416 HA SER 57 HA SER 57 -5.736 3.501 3.501 417 1HB SER 57 2HB SER 57 -3.772 3.828 3.828 418 2HB SER 57 1HB SER 57 -3.298 4.120 4.120 419 HG SER 57 HG SER 57 -4.637 1.763 1.763 420 H ASP 58 H ASP 58 -5.504 5.797 5.797 421 HA ASP 58 HA ASP 58 -4.964 8.097 8.097 422 1HB ASP 58 2HB ASP 58 -4.476 7.576 7.576 423 2HB ASP 58 1HB ASP 58 -6.094 8.241 8.241 424 H ILE 59 H ILE 59 -6.913 7.400 7.400 425 HA ILE 59 HA ILE 59 -9.582 7.392 7.392 426 HB ILE 59 HB ILE 59 -8.170 8.969 8.969 427 1HG1 ILE 59 2HG1 ILE 59 -7.556 6.564 6.564 428 2HG1 ILE 59 1HG1 ILE 59 -8.501 6.933 6.933 429 1HG2 ILE 59 1HG2 ILE 59 -10.574 9.564 9.564 430 2HG2 ILE 59 3HG2 ILE 59 -10.993 7.868 7.868 431 3HG2 ILE 59 2HG2 ILE 59 -10.253 8.791 8.791 432 1HD1 ILE 59 3HD1 ILE 59 -10.543 6.288 6.288 433 2HD1 ILE 59 2HD1 ILE 59 -9.317 5.425 5.425 434 3HD1 ILE 59 1HD1 ILE 59 -9.584 5.023 5.023 435 H ASP 60 H ASP 60 -7.474 10.214 10.214 436 HA ASP 60 HA ASP 60 -9.769 11.994 11.994 437 1HB ASP 60 2HB ASP 60 -8.447 13.035 13.035 438 2HB ASP 60 1HB ASP 60 -6.996 12.184 12.184 439 H HIS 61 H HIS 61 -7.053 10.415 10.415 440 HA HIS 61 HA HIS 61 -6.377 10.366 10.366 441 1HB HIS 61 2HB HIS 61 -9.205 11.444 11.444 442 2HB HIS 61 1HB HIS 61 -8.261 10.904 10.904 443 HD1 HIS 61 HD1 HIS 61 -7.812 8.358 8.358 444 HD2 HIS 61 HD2 HIS 61 -10.146 9.360 9.360 445 HE1 HIS 61 HE1 HIS 61 -8.802 6.195 6.195 446 H ASP 62 H ASP 62 -5.380 12.571 12.571 447 HA ASP 62 HA ASP 62 -5.833 14.852 14.852 448 1HB ASP 62 2HB ASP 62 -5.291 16.258 16.258 449 2HB ASP 62 1HB ASP 62 -6.297 14.978 14.978 450 H GLY 63 H GLY 63 -3.726 12.354 12.354 451 1HA GLY 63 2HA GLY 63 -1.737 12.279 12.279 452 2HA GLY 63 1HA GLY 63 -1.439 13.963 13.963 453 H MET 64 H MET 64 -2.489 12.438 12.438 454 HA MET 64 HA MET 64 0.184 11.371 11.371 455 1HB MET 64 2HB MET 64 -1.059 13.398 13.398 456 2HB MET 64 1HB MET 64 0.640 12.979 12.979 457 1HG MET 64 2HG MET 64 0.459 14.011 14.011 458 2HG MET 64 1HG MET 64 -1.091 14.665 14.665 459 1HE MET 64 2HE MET 64 2.355 13.927 13.927 460 2HE MET 64 1HE MET 64 3.052 15.387 15.387 461 3HE MET 64 3HE MET 64 2.024 14.336 14.336 462 H LEU 65 H LEU 65 0.131 10.227 10.227 463 HA LEU 65 HA LEU 65 -2.618 9.243 9.243 464 1HB LEU 65 2HB LEU 65 0.161 8.040 8.040 465 2HB LEU 65 1HB LEU 65 -1.215 7.272 7.272 466 HG LEU 65 HG LEU 65 -1.173 8.021 8.021 467 1HD1 LEU 65 3HD1 LEU 65 0.468 6.163 6.163 468 2HD1 LEU 65 2HD1 LEU 65 -1.003 5.192 5.192 469 3HD1 LEU 65 1HD1 LEU 65 -0.365 5.921 5.921 470 1HD2 LEU 65 1HD2 LEU 65 -3.357 7.658 7.658 471 2HD2 LEU 65 3HD2 LEU 65 -3.220 6.897 6.897 472 3HD2 LEU 65 2HD2 LEU 65 -2.920 5.955 5.955 473 H ASP 66 H ASP 66 -3.307 10.180 10.180 474 HA ASP 66 HA ASP 66 -1.493 11.380 11.380 475 1HB ASP 66 2HB ASP 66 -4.065 11.687 11.687 476 2HB ASP 66 1HB ASP 66 -4.241 10.439 10.439 477 H ARG 67 H ARG 67 -1.316 10.626 10.626 478 HA ARG 67 HA ARG 67 -0.087 8.238 8.238 479 1HB ARG 67 2HB ARG 67 -0.761 8.528 8.528 480 2HB ARG 67 1HB ARG 67 -0.566 10.126 10.126 481 1HG ARG 67 2HG ARG 67 -3.028 10.149 10.149 482 2HG ARG 67 1HG ARG 67 -3.170 8.637 8.637 483 1HD ARG 67 2HD ARG 67 -1.706 10.337 10.337 484 2HD ARG 67 1HD ARG 67 -3.016 11.339 11.339 485 HE ARG 67 HE ARG 67 -4.161 8.839 8.839 486 1HH1 ARG 67 1HH2 ARG 67 -3.528 11.887 11.887 487 2HH1 ARG 67 2HH2 ARG 67 -3.938 11.464 11.464 488 1HH2 ARG 67 2HH1 ARG 67 -4.289 8.081 8.081 489 2HH2 ARG 67 1HH1 ARG 67 -4.370 9.309 9.309 490 H ASP 68 H ASP 68 -3.626 8.657 8.657 491 HA ASP 68 HA ASP 68 -4.087 5.808 5.808 492 1HB ASP 68 2HB ASP 68 -5.528 8.346 8.346 493 2HB ASP 68 1HB ASP 68 -6.474 7.038 7.038 494 H GLU 69 H GLU 69 -4.199 7.972 7.972 495 HA GLU 69 HA GLU 69 -5.529 6.123 6.123 496 1HB GLU 69 2HB GLU 69 -3.576 8.351 8.351 497 2HB GLU 69 1HB GLU 69 -4.853 7.728 7.728 498 1HG GLU 69 2HG GLU 69 -6.502 8.425 8.425 499 2HG GLU 69 1HG GLU 69 -5.166 9.286 9.286 500 H PHE 70 H PHE 70 -2.127 6.913 6.913 501 HA PHE 70 HA PHE 70 -0.969 5.163 5.163 502 1HB PHE 70 2HB PHE 70 0.117 7.058 7.058 503 2HB PHE 70 1HB PHE 70 0.087 6.059 6.059 504 HD1 PHE 70 HD2 PHE 70 1.444 4.005 4.005 505 HD2 PHE 70 HD1 PHE 70 1.660 6.603 6.603 506 HE1 PHE 70 HE2 PHE 70 3.545 2.897 2.897 507 HE2 PHE 70 HE1 PHE 70 3.763 5.494 5.494 508 HZ PHE 70 HZ PHE 70 4.700 3.645 3.645 509 H ALA 71 H ALA 71 -2.248 4.683 4.683 510 HA ALA 71 HA ALA 71 -1.087 2.146 2.146 511 1HB ALA 71 2HB ALA 71 -2.384 3.736 3.736 512 2HB ALA 71 1HB ALA 71 -3.853 3.195 3.195 513 3HB ALA 71 3HB ALA 71 -2.900 2.055 2.055 514 H VAL 72 H VAL 72 -4.181 2.965 2.965 515 HA VAL 72 HA VAL 72 -5.111 0.328 0.328 516 HB VAL 72 HB VAL 72 -5.465 2.956 2.956 517 1HG1 VAL 72 2HG1 VAL 72 -6.519 0.263 0.263 518 2HG1 VAL 72 1HG1 VAL 72 -7.767 1.502 1.502 519 3HG1 VAL 72 3HG1 VAL 72 -6.471 1.681 1.681 520 1HG2 VAL 72 3HG2 VAL 72 -6.132 2.828 2.828 521 2HG2 VAL 72 2HG2 VAL 72 -7.466 3.201 3.201 522 3HG2 VAL 72 1HG2 VAL 72 -7.288 1.570 1.570 523 H ALA 73 H ALA 73 -2.659 2.219 2.219 524 HA ALA 73 HA ALA 73 -2.666 0.555 0.555 525 1HB ALA 73 2HB ALA 73 -1.961 3.125 3.125 526 2HB ALA 73 1HB ALA 73 -0.388 2.328 2.328 527 3HB ALA 73 3HB ALA 73 -1.499 2.321 2.321 528 H MET 74 H MET 74 -1.266 0.234 0.234 529 HA MET 74 HA MET 74 1.160 -1.130 -1.130 530 1HB MET 74 2HB MET 74 0.221 -1.010 -1.010 531 2HB MET 74 1HB MET 74 1.872 -1.080 -1.080 532 1HG MET 74 2HG MET 74 -0.005 1.260 1.260 533 2HG MET 74 1HG MET 74 1.676 1.165 1.165 534 1HE MET 74 3HE MET 74 3.225 0.057 0.057 535 2HE MET 74 2HE MET 74 2.806 -0.234 -0.234 536 3HE MET 74 1HE MET 74 3.796 1.159 1.159 537 H PHE 75 H PHE 75 -1.860 -1.993 -1.993 538 HA PHE 75 HA PHE 75 -1.123 -4.825 -4.825 539 1HB PHE 75 2HB PHE 75 -3.083 -5.057 -5.057 540 2HB PHE 75 1HB PHE 75 -2.724 -3.356 -3.356 541 HD1 PHE 75 HD1 PHE 75 -4.851 -5.727 -5.727 542 HD2 PHE 75 HD2 PHE 75 -4.051 -1.607 -1.607 543 HE1 PHE 75 HE1 PHE 75 -7.026 -5.086 -5.086 544 HE2 PHE 75 HE2 PHE 75 -6.213 -0.970 -0.970 545 HZ PHE 75 HZ PHE 75 -7.711 -2.702 -2.702 546 H LEU 76 H LEU 76 -2.526 -2.623 -2.623 547 HA LEU 76 HA LEU 76 -3.926 -4.616 -4.616 548 1HB LEU 76 2HB LEU 76 -3.394 -1.697 -1.697 549 2HB LEU 76 1HB LEU 76 -3.685 -2.397 -2.397 550 HG LEU 76 HG LEU 76 -5.499 -2.696 -2.696 551 1HD1 LEU 76 2HD1 LEU 76 -5.591 -0.982 -0.982 552 2HD1 LEU 76 1HD1 LEU 76 -7.064 -1.416 -1.416 553 3HD1 LEU 76 3HD1 LEU 76 -5.802 -0.492 -0.492 554 1HD2 LEU 76 3HD2 LEU 76 -5.335 -4.021 -4.021 555 2HD2 LEU 76 2HD2 LEU 76 -6.059 -4.597 -4.597 556 3HD2 LEU 76 1HD2 LEU 76 -6.942 -3.472 -3.472 557 H VAL 77 H VAL 77 -0.733 -3.265 -3.265 558 HA VAL 77 HA VAL 77 0.102 -4.245 -4.245 559 HB VAL 77 HB VAL 77 1.460 -2.776 -2.776 560 1HG1 VAL 77 3HG1 VAL 77 3.059 -4.170 -4.170 561 2HG1 VAL 77 2HG1 VAL 77 2.519 -3.338 -3.338 562 3HG1 VAL 77 1HG1 VAL 77 3.343 -2.439 -2.439 563 1HG2 VAL 77 2HG2 VAL 77 -0.341 -1.624 -1.624 564 2HG2 VAL 77 1HG2 VAL 77 1.230 -0.828 -0.828 565 3HG2 VAL 77 3HG2 VAL 77 0.765 -1.779 -1.779 566 H TYR 78 H TYR 78 0.467 -5.059 -5.059 567 HA TYR 78 HA TYR 78 2.498 -7.099 -7.099 568 1HB TYR 78 2HB TYR 78 1.032 -5.884 -5.884 569 2HB TYR 78 1HB TYR 78 1.500 -7.570 -7.570 570 HD1 TYR 78 HD2 TYR 78 3.969 -7.895 -7.895 571 HD2 TYR 78 HD1 TYR 78 2.585 -4.493 -4.493 572 HE1 TYR 78 HE2 TYR 78 6.318 -7.187 -7.187 573 HE2 TYR 78 HE1 TYR 78 4.931 -3.785 -3.785 574 HH TYR 78 HH TYR 78 7.200 -4.184 -4.184 575 H CYS 79 H CYS 79 -0.989 -6.966 -6.966 576 HA CYS 79 HA CYS 79 -1.289 -9.895 -9.895 577 1HB CYS 79 2HB CYS 79 -3.146 -7.534 -7.534 578 2HB CYS 79 1HB CYS 79 -3.723 -9.200 -9.200 579 HG CYS 79 HG CYS 79 -3.818 -8.554 -8.554 580 H ALA 80 H ALA 80 -0.732 -7.587 -7.587 581 HA ALA 80 HA ALA 80 -2.097 -8.999 -8.999 582 1HB ALA 80 3HB ALA 80 -0.354 -6.643 -6.643 583 2HB ALA 80 2HB ALA 80 -0.203 -7.407 -7.407 584 3HB ALA 80 1HB ALA 80 -1.772 -6.814 -6.814 585 H LEU 81 H LEU 81 0.863 -9.280 -9.280 586 HA LEU 81 HA LEU 81 2.226 -10.805 -10.805 587 1HB LEU 81 2HB LEU 81 2.979 -10.055 -10.055 588 2HB LEU 81 1HB LEU 81 4.073 -10.757 -10.757 589 HG LEU 81 HG LEU 81 2.646 -8.402 -8.402 590 1HD1 LEU 81 2HD1 LEU 81 3.066 -7.991 -7.991 591 2HD1 LEU 81 1HD1 LEU 81 4.762 -7.871 -7.871 592 3HD1 LEU 81 3HD1 LEU 81 3.579 -6.755 -6.755 593 1HD2 LEU 81 2HD2 LEU 81 5.036 -9.838 -9.838 594 2HD2 LEU 81 1HD2 LEU 81 4.501 -8.391 -8.391 595 3HD2 LEU 81 3HD2 LEU 81 5.532 -8.244 -8.244 596 H GLU 82 H GLU 82 1.148 -11.350 -11.350 597 HA GLU 82 HA GLU 82 1.466 -14.277 -14.277 598 1HB GLU 82 2HB GLU 82 2.747 -13.577 -13.577 599 2HB GLU 82 1HB GLU 82 1.529 -12.417 -12.417 600 1HG GLU 82 2HG GLU 82 1.517 -14.297 -14.297 601 2HG GLU 82 1HG GLU 82 0.030 -14.340 -14.340 602 H LYS 83 H LYS 83 -0.960 -11.856 -11.856 603 HA LYS 83 HA LYS 83 -2.912 -13.944 -13.944 604 1HB LYS 83 2HB LYS 83 -2.949 -10.926 -10.926 605 2HB LYS 83 1HB LYS 83 -4.362 -11.872 -11.872 606 1HG LYS 83 2HG LYS 83 -2.215 -12.891 -12.891 607 2HG LYS 83 1HG LYS 83 -2.082 -11.135 -11.135 608 1HD LYS 83 2HD LYS 83 -4.445 -10.979 -10.979 609 2HD LYS 83 1HD LYS 83 -4.593 -12.734 -12.734 610 1HE LYS 83 2HE LYS 83 -3.679 -12.992 -12.992 611 2HE LYS 83 1HE LYS 83 -2.312 -11.939 -11.939 612 1HZ LYS 83 2HZ LYS 83 -4.161 -10.114 -10.114 613 2HZ LYS 83 1HZ LYS 83 -4.930 -11.225 -11.225 614 3HZ LYS 83 3HZ LYS 83 -3.394 -10.627 -10.627 615 H GLU 84 H GLU 84 -3.795 -11.157 -11.157 616 HA GLU 84 HA GLU 84 -4.255 -12.837 -12.837 617 1HB GLU 84 2HB GLU 84 -6.239 -12.274 -12.274 618 2HB GLU 84 1HB GLU 84 -6.750 -11.634 -11.634 619 1HG GLU 84 2HG GLU 84 -7.139 -13.699 -13.699 620 2HG GLU 84 1HG GLU 84 -5.567 -14.281 -14.281 621 HA PRO 85 HA PRO 85 -4.031 -9.070 -9.070 622 1HB PRO 85 2HB PRO 85 -6.280 -8.972 -8.972 623 2HB PRO 85 1HB PRO 85 -4.914 -10.060 -10.060 624 1HG PRO 85 2HG PRO 85 -7.507 -10.637 -10.637 625 2HG PRO 85 1HG PRO 85 -6.626 -11.604 -11.604 626 1HD PRO 85 2HD PRO 85 -6.540 -12.176 -12.176 627 2HD PRO 85 1HD PRO 85 -5.134 -12.426 -12.426 628 H VAL 86 H VAL 86 -5.215 -6.911 -6.911 629 HA VAL 86 HA VAL 86 -6.984 -6.280 -6.280 630 HB VAL 86 HB VAL 86 -4.968 -4.615 -4.615 631 1HG1 VAL 86 1HG1 VAL 86 -6.956 -3.384 -3.384 632 2HG1 VAL 86 3HG1 VAL 86 -6.393 -3.925 -3.925 633 3HG1 VAL 86 2HG1 VAL 86 -5.377 -2.871 -2.871 634 1HG2 VAL 86 3HG2 VAL 86 -4.286 -6.553 -6.553 635 2HG2 VAL 86 2HG2 VAL 86 -3.458 -4.996 -4.996 636 3HG2 VAL 86 1HG2 VAL 86 -4.727 -5.364 -5.364 637 HA PRO 87 HA PRO 87 -9.815 -5.141 -5.141 638 1HB PRO 87 2HB PRO 87 -11.917 -4.522 -4.522 639 2HB PRO 87 1HB PRO 87 -11.462 -6.192 -6.192 640 1HG PRO 87 2HG PRO 87 -11.025 -4.648 -4.648 641 2HG PRO 87 1HG PRO 87 -11.236 -6.388 -6.388 642 1HD PRO 87 2HD PRO 87 -8.813 -5.059 -5.059 643 2HD PRO 87 1HD PRO 87 -9.006 -6.731 -6.731 644 H MET 88 H MET 88 -11.518 -3.069 -3.069 645 HA MET 88 HA MET 88 -9.829 -0.717 -0.717 646 1HB MET 88 2HB MET 88 -11.999 -0.765 -0.765 647 2HB MET 88 1HB MET 88 -10.647 0.353 0.353 648 1HG MET 88 2HG MET 88 -9.071 -1.375 -1.375 649 2HG MET 88 1HG MET 88 -10.335 -2.604 -2.604 650 1HE MET 88 3HE MET 88 -12.487 -2.301 -2.301 651 2HE MET 88 2HE MET 88 -12.800 -0.609 -0.609 652 3HE MET 88 1HE MET 88 -12.672 -1.785 -1.785 653 H SER 89 H SER 89 -12.159 -2.239 -2.239 654 HA SER 89 HA SER 89 -14.000 0.102 0.102 655 1HB SER 89 2HB SER 89 -14.336 -2.827 -2.827 656 2HB SER 89 1HB SER 89 -15.578 -1.604 -1.604 657 HG SER 89 HG SER 89 -15.744 -1.334 -1.334 658 H LEU 90 H LEU 90 -13.206 1.326 1.326 659 HA LEU 90 HA LEU 90 -11.842 0.450 0.450 660 1HB LEU 90 2HB LEU 90 -13.103 2.852 2.852 661 2HB LEU 90 1HB LEU 90 -13.259 2.765 2.765 662 HG LEU 90 HG LEU 90 -10.641 2.304 2.304 663 1HD1 LEU 90 2HD1 LEU 90 -11.938 4.691 4.691 664 2HD1 LEU 90 1HD1 LEU 90 -11.098 4.842 4.842 665 3HD1 LEU 90 3HD1 LEU 90 -10.183 4.546 4.546 666 1HD2 LEU 90 1HD2 LEU 90 -11.601 2.351 2.351 667 2HD2 LEU 90 3HD2 LEU 90 -10.186 1.558 1.558 668 3HD2 LEU 90 2HD2 LEU 90 -10.123 3.272 3.272 669 HA PRO 91 HA PRO 91 -15.520 -1.501 -1.501 670 1HB PRO 91 2HB PRO 91 -14.169 -2.768 -2.768 671 2HB PRO 91 1HB PRO 91 -14.246 -3.396 -3.396 672 1HG PRO 91 2HG PRO 91 -12.068 -1.860 -1.860 673 2HG PRO 91 1HG PRO 91 -11.960 -3.252 -3.252 674 1HD PRO 91 2HD PRO 91 -11.504 -0.717 -0.717 675 2HD PRO 91 1HD PRO 91 -12.204 -1.961 -1.961 676 HA PRO 92 HA PRO 92 -16.210 1.577 1.577 677 1HB PRO 92 2HB PRO 92 -18.444 0.480 0.480 678 2HB PRO 92 1HB PRO 92 -18.462 1.313 1.313 679 1HG PRO 92 2HG PRO 92 -18.410 -1.604 -1.604 680 2HG PRO 92 1HG PRO 92 -19.301 -0.724 -0.724 681 1HD PRO 92 2HD PRO 92 -17.019 -2.107 -2.107 682 2HD PRO 92 1HD PRO 92 -17.503 -0.665 -0.665 683 H ALA 93 H ALA 93 -15.255 -1.583 -1.583 684 HA ALA 93 HA ALA 93 -15.395 -1.438 -1.438 685 1HB ALA 93 2HB ALA 93 -15.487 -3.449 -3.449 686 2HB ALA 93 1HB ALA 93 -13.892 -3.633 -3.633 687 3HB ALA 93 3HB ALA 93 -15.341 -3.702 -3.702 688 H LEU 94 H LEU 94 -13.518 -0.010 -0.010 689 HA LEU 94 HA LEU 94 -11.001 -0.357 -0.357 690 1HB LEU 94 2HB LEU 94 -10.516 -1.425 -1.425 691 2HB LEU 94 1HB LEU 94 -11.679 -0.468 -0.468 692 HG LEU 94 HG LEU 94 -9.396 1.054 1.054 693 1HD1 LEU 94 3HD1 LEU 94 -8.792 -1.402 -1.402 694 2HD1 LEU 94 2HD1 LEU 94 -8.687 -0.318 -0.318 695 3HD1 LEU 94 1HD1 LEU 94 -7.711 -0.010 -0.010 696 1HD2 LEU 94 1HD2 LEU 94 -11.383 1.205 1.205 697 2HD2 LEU 94 3HD2 LEU 94 -10.212 2.440 2.440 698 3HD2 LEU 94 2HD2 LEU 94 -9.794 1.256 1.256 699 H VAL 95 H VAL 95 -13.408 1.772 1.772 700 HA VAL 95 HA VAL 95 -11.723 4.156 4.156 701 HB VAL 95 HB VAL 95 -14.723 3.788 3.788 702 1HG1 VAL 95 1HG1 VAL 95 -12.964 6.091 6.091 703 2HG1 VAL 95 3HG1 VAL 95 -14.672 5.992 5.992 704 3HG1 VAL 95 2HG1 VAL 95 -14.194 6.087 6.087 705 1HG2 VAL 95 1HG2 VAL 95 -13.046 2.839 2.839 706 2HG2 VAL 95 3HG2 VAL 95 -14.766 3.176 3.176 707 3HG2 VAL 95 2HG2 VAL 95 -13.573 4.397 4.397 708 HA PRO 96 HA PRO 96 -11.711 4.605 4.605 709 1HB PRO 96 2HB PRO 96 -9.962 6.720 6.720 710 2HB PRO 96 1HB PRO 96 -9.438 5.031 5.031 711 1HG PRO 96 2HG PRO 96 -9.805 7.098 7.098 712 2HG PRO 96 1HG PRO 96 -8.527 5.885 5.885 713 1HD PRO 96 2HD PRO 96 -10.587 5.589 5.589 714 2HD PRO 96 1HD PRO 96 -9.792 4.211 4.211 715 HA PRO 97 HA PRO 97 -14.432 7.998 7.998 716 1HB PRO 97 2HB PRO 97 -13.401 9.348 9.348 717 2HB PRO 97 1HB PRO 97 -14.202 7.768 7.768 718 1HG PRO 97 2HG PRO 97 -11.291 8.412 8.412 719 2HG PRO 97 1HG PRO 97 -12.162 7.242 7.242 720 1HD PRO 97 2HD PRO 97 -10.755 6.509 6.509 721 2HD PRO 97 1HD PRO 97 -12.218 5.650 5.650 722 H SER 98 H SER 98 -14.267 10.592 10.592 723 HA SER 98 HA SER 98 -13.477 12.710 12.710 724 1HB SER 98 2HB SER 98 -11.202 12.880 12.880 725 2HB SER 98 1HB SER 98 -11.219 11.178 11.178 726 HG SER 98 HG SER 98 -11.188 12.284 12.284 727 H LYS 99 H LYS 99 -12.809 10.153 10.153 728 HA LYS 99 HA LYS 99 -13.712 11.924 11.924 729 1HB LYS 99 2HB LYS 99 -11.756 10.360 10.360 730 2HB LYS 99 1HB LYS 99 -12.863 9.005 9.005 731 1HG LYS 99 2HG LYS 99 -13.891 10.725 10.725 732 2HG LYS 99 1HG LYS 99 -12.211 10.331 10.331 733 1HD LYS 99 2HD LYS 99 -12.642 7.983 7.983 734 2HD LYS 99 1HD LYS 99 -14.227 8.226 8.226 735 1HE LYS 99 2HE LYS 99 -13.811 9.600 9.600 736 2HE LYS 99 1HE LYS 99 -13.906 7.829 7.829 737 1HZ LYS 99 1HZ LYS 99 -15.831 8.267 8.267 738 2HZ LYS 99 3HZ LYS 99 -15.907 9.762 9.762 739 3HZ LYS 99 2HZ LYS 99 -16.119 8.321 8.321 740 H ARG 100 H ARG 100 -15.354 10.509 10.509 741 HA ARG 100 HA ARG 100 -17.679 9.889 9.889 742 1HB ARG 100 2HB ARG 100 -17.967 7.699 7.699 743 2HB ARG 100 1HB ARG 100 -16.401 7.789 7.789 744 1HG ARG 100 2HG ARG 100 -15.304 7.518 7.518 745 2HG ARG 100 1HG ARG 100 -16.221 8.822 8.822 746 1HD ARG 100 2HD ARG 100 -16.522 6.524 6.524 747 2HD ARG 100 1HD ARG 100 -18.031 7.307 7.307 748 HE ARG 100 HE ARG 100 -16.940 5.773 5.773 749 1HH1 ARG 100 1HH2 ARG 100 -17.593 4.799 4.799 750 2HH1 ARG 100 2HH2 ARG 100 -18.789 3.621 3.621 751 1HH2 ARG 100 2HH1 ARG 100 -18.899 4.546 4.546 752 2HH2 ARG 100 1HH1 ARG 100 -19.527 3.477 3.477 Start of MODEL 19 1 HA PRO 6 HA PRO 6 -13.823 -2.912 -2.912 2 1HB PRO 6 2HB PRO 6 -11.178 -2.745 -2.745 3 2HB PRO 6 1HB PRO 6 -12.433 -3.302 -3.302 4 1HG PRO 6 2HG PRO 6 -10.484 -4.887 -4.887 5 2HG PRO 6 1HG PRO 6 -11.065 -5.145 -5.145 6 1HD PRO 6 2HD PRO 6 -11.970 -6.555 -6.555 7 2HD PRO 6 1HD PRO 6 -12.940 -6.258 -6.258 8 H TRP 7 H TRP 7 -11.736 -1.294 -1.294 9 HA TRP 7 HA TRP 7 -11.863 -0.860 -0.860 10 1HB TRP 7 2HB TRP 7 -10.818 0.631 0.631 11 2HB TRP 7 1HB TRP 7 -9.503 -0.522 -0.522 12 HD1 TRP 7 HD1 TRP 7 -10.764 -0.086 -0.086 13 HE1 TRP 7 HE1 TRP 7 -9.017 1.191 1.191 14 HE3 TRP 7 HE3 TRP 7 -7.579 1.395 1.395 15 HZ2 TRP 7 HZ2 TRP 7 -6.594 2.656 2.656 16 HZ3 TRP 7 HZ3 TRP 7 -5.560 2.732 2.732 17 HH2 TRP 7 HH2 TRP 7 -5.066 3.363 3.363 18 H ALA 8 H ALA 8 -11.151 -2.015 -2.015 19 HA ALA 8 HA ALA 8 -10.167 -4.579 -4.579 20 1HB ALA 8 3HB ALA 8 -9.642 -2.181 -2.181 21 2HB ALA 8 2HB ALA 8 -9.071 -3.791 -3.791 22 3HB ALA 8 1HB ALA 8 -10.802 -3.489 -3.489 23 H VAL 9 H VAL 9 -8.355 -1.672 -1.672 24 HA VAL 9 HA VAL 9 -5.818 -3.252 -3.252 25 HB VAL 9 HB VAL 9 -6.561 -0.333 -0.333 26 1HG1 VAL 9 2HG1 VAL 9 -4.233 -1.505 -1.505 27 2HG1 VAL 9 1HG1 VAL 9 -3.802 -0.367 -0.367 28 3HG1 VAL 9 3HG1 VAL 9 -4.846 0.148 0.148 29 1HG2 VAL 9 3HG2 VAL 9 -5.180 -2.398 -2.398 30 2HG2 VAL 9 2HG2 VAL 9 -6.204 -1.056 -1.056 31 3HG2 VAL 9 1HG2 VAL 9 -4.519 -0.766 -0.766 32 H LYS 10 H LYS 10 -5.087 -3.867 -3.867 33 HA LYS 10 HA LYS 10 -6.567 -3.088 -3.088 34 1HB LYS 10 2HB LYS 10 -4.719 -5.130 -5.130 35 2HB LYS 10 1HB LYS 10 -4.262 -4.555 -4.555 36 1HG LYS 10 2HG LYS 10 -6.013 -5.603 -5.603 37 2HG LYS 10 1HG LYS 10 -7.142 -4.930 -4.930 38 1HD LYS 10 2HD LYS 10 -6.791 -6.700 -6.700 39 2HD LYS 10 1HD LYS 10 -5.299 -7.204 -7.204 40 1HE LYS 10 2HE LYS 10 -6.869 -7.625 -7.625 41 2HE LYS 10 1HE LYS 10 -8.144 -7.694 -7.694 42 1HZ LYS 10 2HZ LYS 10 -5.594 -9.119 -9.119 43 2HZ LYS 10 1HZ LYS 10 -6.829 -9.833 -9.833 44 3HZ LYS 10 3HZ LYS 10 -7.113 -9.427 -9.427 45 HA PRO 11 HA PRO 11 -3.787 -0.104 -0.104 46 1HB PRO 11 2HB PRO 11 -3.103 -1.034 -1.034 47 2HB PRO 11 1HB PRO 11 -4.714 -0.390 -0.390 48 1HG PRO 11 2HG PRO 11 -3.805 -3.219 -3.219 49 2HG PRO 11 1HG PRO 11 -5.323 -2.480 -2.480 50 1HD PRO 11 2HD PRO 11 -5.100 -3.944 -3.944 51 2HD PRO 11 1HD PRO 11 -6.279 -2.628 -2.628 52 H GLU 12 H GLU 12 -2.618 -3.434 -3.434 53 HA GLU 12 HA GLU 12 0.204 -2.643 -2.643 54 1HB GLU 12 2HB GLU 12 0.532 -5.077 -5.077 55 2HB GLU 12 1HB GLU 12 -0.789 -4.667 -4.667 56 1HG GLU 12 2HG GLU 12 -2.388 -5.597 -5.597 57 2HG GLU 12 1HG GLU 12 -1.516 -5.191 -5.191 58 H ASP 13 H ASP 13 -2.117 -3.284 -3.284 59 HA ASP 13 HA ASP 13 -0.171 -3.923 -3.923 60 1HB ASP 13 2HB ASP 13 -3.074 -3.787 -3.787 61 2HB ASP 13 1HB ASP 13 -2.587 -3.203 -3.203 62 H LYS 14 H LYS 14 -2.120 -1.163 -1.163 63 HA LYS 14 HA LYS 14 -1.150 0.604 0.604 64 1HB LYS 14 2HB LYS 14 -3.370 0.650 0.650 65 2HB LYS 14 1HB LYS 14 -2.426 1.369 1.369 66 1HG LYS 14 2HG LYS 14 -1.762 2.710 2.710 67 2HG LYS 14 1HG LYS 14 -3.520 2.673 2.673 68 1HD LYS 14 2HD LYS 14 -2.441 3.253 3.253 69 2HD LYS 14 1HD LYS 14 -1.647 4.316 4.316 70 1HE LYS 14 2HE LYS 14 -4.259 4.433 4.433 71 2HE LYS 14 1HE LYS 14 -4.453 4.311 4.311 72 1HZ LYS 14 1HZ LYS 14 -2.313 5.963 5.963 73 2HZ LYS 14 3HZ LYS 14 -3.336 6.452 6.452 74 3HZ LYS 14 2HZ LYS 14 -3.901 6.462 6.462 75 H ALA 15 H ALA 15 0.016 -0.547 -0.547 76 HA ALA 15 HA ALA 15 1.651 1.759 1.759 77 1HB ALA 15 3HB ALA 15 1.444 -1.148 -1.148 78 2HB ALA 15 2HB ALA 15 2.688 -0.094 -0.094 79 3HB ALA 15 1HB ALA 15 0.983 0.277 0.277 80 H LYS 16 H LYS 16 2.091 -1.298 -1.298 81 HA LYS 16 HA LYS 16 4.950 -0.870 -0.870 82 1HB LYS 16 2HB LYS 16 4.839 -3.037 -3.037 83 2HB LYS 16 1HB LYS 16 3.230 -3.003 -3.003 84 1HG LYS 16 2HG LYS 16 2.273 -2.371 -2.371 85 2HG LYS 16 1HG LYS 16 3.879 -2.377 -2.377 86 1HD LYS 16 2HD LYS 16 2.583 -4.785 -4.785 87 2HD LYS 16 1HD LYS 16 2.609 -4.497 -4.497 88 1HE LYS 16 2HE LYS 16 5.197 -4.488 -4.488 89 2HE LYS 16 1HE LYS 16 4.475 -6.018 -6.018 90 1HZ LYS 16 1HZ LYS 16 4.202 -4.882 -4.882 91 2HZ LYS 16 3HZ LYS 16 5.281 -3.704 -3.704 92 3HZ LYS 16 2HZ LYS 16 5.783 -5.322 -5.322 93 H TYR 17 H TYR 17 1.967 0.060 0.060 94 HA TYR 17 HA TYR 17 3.094 0.744 0.744 95 1HB TYR 17 2HB TYR 17 0.549 1.589 1.589 96 2HB TYR 17 1HB TYR 17 0.864 1.809 1.809 97 HD1 TYR 17 HD2 TYR 17 2.475 -1.113 -1.113 98 HD2 TYR 17 HD1 TYR 17 -1.538 0.397 0.397 99 HE1 TYR 17 HE2 TYR 17 1.585 -3.385 -3.385 100 HE2 TYR 17 HE1 TYR 17 -2.428 -1.871 -1.871 101 HH TYR 17 HH TYR 17 -0.634 -4.631 -4.631 102 H ASP 18 H ASP 18 2.442 2.291 2.291 103 HA ASP 18 HA ASP 18 2.974 5.018 5.018 104 1HB ASP 18 2HB ASP 18 2.866 3.470 3.470 105 2HB ASP 18 1HB ASP 18 3.250 5.192 5.192 106 H ALA 19 H ALA 19 5.004 2.321 2.321 107 HA ALA 19 HA ALA 19 7.379 3.900 3.900 108 1HB ALA 19 2HB ALA 19 6.648 1.432 1.432 109 2HB ALA 19 1HB ALA 19 7.377 1.035 1.035 110 3HB ALA 19 3HB ALA 19 8.351 1.786 1.786 111 H ILE 20 H ILE 20 5.913 2.279 2.279 112 HA ILE 20 HA ILE 20 8.112 2.804 2.804 113 HB ILE 20 HB ILE 20 5.273 1.751 1.751 114 1HG1 ILE 20 2HG1 ILE 20 7.772 0.276 0.276 115 2HG1 ILE 20 1HG1 ILE 20 7.340 0.433 0.433 116 1HG2 ILE 20 2HG2 ILE 20 5.933 3.012 3.012 117 2HG2 ILE 20 1HG2 ILE 20 7.209 1.819 1.819 118 3HG2 ILE 20 3HG2 ILE 20 5.519 1.318 1.318 119 1HD1 ILE 20 2HD1 ILE 20 5.087 -0.504 -0.504 120 2HD1 ILE 20 1HD1 ILE 20 5.600 -0.743 -0.743 121 3HD1 ILE 20 3HD1 ILE 20 6.387 -1.637 -1.637 122 H PHE 21 H PHE 21 5.065 4.194 4.194 123 HA PHE 21 HA PHE 21 4.818 6.137 6.137 124 1HB PHE 21 2HB PHE 21 2.778 5.762 5.762 125 2HB PHE 21 1HB PHE 21 3.518 5.359 5.359 126 HD1 PHE 21 HD2 PHE 21 4.576 7.338 7.338 127 HD2 PHE 21 HD1 PHE 21 1.722 7.839 7.839 128 HE1 PHE 21 HE2 PHE 21 4.036 9.604 9.604 129 HE2 PHE 21 HE1 PHE 21 1.181 10.109 10.109 130 HZ PHE 21 HZ PHE 21 2.345 10.989 10.989 131 H ASP 22 H ASP 22 6.234 6.022 6.022 132 HA ASP 22 HA ASP 22 6.986 8.870 8.870 133 1HB ASP 22 2HB ASP 22 6.218 7.929 7.929 134 2HB ASP 22 1HB ASP 22 7.339 6.571 6.571 135 H SER 23 H SER 23 8.237 6.029 6.029 136 HA SER 23 HA SER 23 11.091 6.666 6.666 137 1HB SER 23 2HB SER 23 10.878 4.381 4.381 138 2HB SER 23 1HB SER 23 9.413 4.479 4.479 139 HG SER 23 HG SER 23 10.787 3.879 3.879 140 H LEU 24 H LEU 24 8.660 7.781 7.781 141 HA LEU 24 HA LEU 24 10.413 8.319 8.319 142 1HB LEU 24 2HB LEU 24 7.486 8.957 8.957 143 2HB LEU 24 1HB LEU 24 8.417 8.385 8.385 144 HG LEU 24 HG LEU 24 7.799 6.677 6.677 145 1HD1 LEU 24 2HD1 LEU 24 5.785 7.523 7.523 146 2HD1 LEU 24 1HD1 LEU 24 6.413 6.497 6.497 147 3HD1 LEU 24 3HD1 LEU 24 5.928 5.782 5.782 148 1HD2 LEU 24 1HD2 LEU 24 9.020 6.236 6.236 149 2HD2 LEU 24 3HD2 LEU 24 9.615 5.709 5.709 150 3HD2 LEU 24 2HD2 LEU 24 8.227 4.907 4.907 151 H SER 25 H SER 25 9.080 9.673 9.673 152 HA SER 25 HA SER 25 9.419 11.859 11.859 153 1HB SER 25 2HB SER 25 11.207 11.926 11.926 154 2HB SER 25 1HB SER 25 9.994 12.846 12.846 155 HG SER 25 HG SER 25 10.841 13.458 13.458 156 HA PRO 26 HA PRO 26 5.159 12.333 12.333 157 1HB PRO 26 2HB PRO 26 4.128 12.660 12.660 158 2HB PRO 26 1HB PRO 26 4.427 11.066 11.066 159 1HG PRO 26 2HG PRO 26 6.057 12.587 12.587 160 2HG PRO 26 1HG PRO 26 5.715 10.850 10.850 161 1HD PRO 26 2HD PRO 26 8.067 11.957 11.957 162 2HD PRO 26 1HD PRO 26 7.396 10.463 10.463 163 H VAL 27 H VAL 27 3.933 14.247 14.247 164 HA VAL 27 HA VAL 27 5.288 16.690 16.690 165 HB VAL 27 HB VAL 27 3.552 16.345 16.345 166 1HG1 VAL 27 3HG1 VAL 27 4.007 18.641 18.641 167 2HG1 VAL 27 2HG1 VAL 27 5.503 18.571 18.571 168 3HG1 VAL 27 1HG1 VAL 27 3.947 18.570 18.570 169 1HG2 VAL 27 2HG2 VAL 27 6.418 15.854 15.854 170 2HG2 VAL 27 1HG2 VAL 27 5.397 15.265 15.265 171 3HG2 VAL 27 3HG2 VAL 27 6.097 16.882 16.882 172 H ASN 28 H ASN 28 4.085 17.247 17.247 173 HA ASN 28 HA ASN 28 2.193 17.867 17.867 174 1HB ASN 28 2HB ASN 28 1.956 19.530 19.530 175 2HB ASN 28 1HB ASN 28 1.317 18.346 18.346 176 1HD2 ASN 28 1HD2 ASN 28 -0.933 18.220 18.220 177 2HD2 ASN 28 2HD2 ASN 28 -1.997 18.807 18.807 178 H GLY 29 H GLY 29 2.526 15.038 15.038 179 1HA GLY 29 2HA GLY 29 1.253 13.103 13.103 180 2HA GLY 29 1HA GLY 29 -0.191 14.111 14.111 181 H PHE 30 H PHE 30 2.119 13.985 13.985 182 HA PHE 30 HA PHE 30 0.173 12.468 12.468 183 1HB PHE 30 2HB PHE 30 1.061 15.329 15.329 184 2HB PHE 30 1HB PHE 30 0.260 14.363 14.363 185 HD1 PHE 30 HD2 PHE 30 -2.041 13.526 13.526 186 HD2 PHE 30 HD1 PHE 30 -0.139 16.189 16.189 187 HE1 PHE 30 HE2 PHE 30 -4.253 14.053 14.053 188 HE2 PHE 30 HE1 PHE 30 -2.332 16.710 16.710 189 HZ PHE 30 HZ PHE 30 -4.396 15.647 15.647 190 H LEU 31 H LEU 31 1.088 11.839 11.839 191 HA LEU 31 HA LEU 31 4.047 12.192 12.192 192 1HB LEU 31 2HB LEU 31 2.447 9.624 9.624 193 2HB LEU 31 1HB LEU 31 4.076 9.729 9.729 194 HG LEU 31 HG LEU 31 3.527 10.737 10.737 195 1HD1 LEU 31 1HD1 LEU 31 4.030 7.876 7.876 196 2HD1 LEU 31 3HD1 LEU 31 4.222 8.447 8.447 197 3HD1 LEU 31 2HD1 LEU 31 2.638 8.487 8.487 198 1HD2 LEU 31 2HD2 LEU 31 5.857 9.988 9.988 199 2HD2 LEU 31 1HD2 LEU 31 5.703 11.284 11.284 200 3HD2 LEU 31 3HD2 LEU 31 5.984 9.625 9.625 201 H SER 32 H SER 32 4.517 12.741 12.741 202 HA SER 32 HA SER 32 2.426 12.960 12.960 203 1HB SER 32 2HB SER 32 4.575 13.561 13.561 204 2HB SER 32 1HB SER 32 4.059 14.623 14.623 205 HG SER 32 HG SER 32 6.173 14.230 14.230 206 H GLY 33 H GLY 33 1.996 11.611 11.611 207 1HA GLY 33 2HA GLY 33 2.619 8.907 8.907 208 2HA GLY 33 1HA GLY 33 2.286 9.820 9.820 209 H ASP 34 H ASP 34 4.683 11.590 11.590 210 HA ASP 34 HA ASP 34 6.623 10.169 10.169 211 1HB ASP 34 2HB ASP 34 6.754 12.604 12.604 212 2HB ASP 34 1HB ASP 34 8.064 12.117 12.117 213 H LYS 35 H LYS 35 5.860 10.077 10.077 214 HA LYS 35 HA LYS 35 8.521 8.902 8.902 215 1HB LYS 35 2HB LYS 35 6.230 9.719 9.719 216 2HB LYS 35 1HB LYS 35 7.919 9.471 9.471 217 1HG LYS 35 2HG LYS 35 8.613 11.377 11.377 218 2HG LYS 35 1HG LYS 35 6.977 11.577 11.577 219 1HD LYS 35 2HD LYS 35 7.383 13.190 13.190 220 2HD LYS 35 1HD LYS 35 6.160 12.018 12.018 221 1HE LYS 35 2HE LYS 35 7.604 12.117 12.117 222 2HE LYS 35 1HE LYS 35 8.188 10.690 10.690 223 1HZ LYS 35 2HZ LYS 35 9.716 12.204 12.204 224 2HZ LYS 35 1HZ LYS 35 9.263 13.455 13.455 225 3HZ LYS 35 3HZ LYS 35 10.058 12.084 12.084 226 H VAL 36 H VAL 36 5.040 8.339 8.339 227 HA VAL 36 HA VAL 36 5.245 5.662 5.662 228 HB VAL 36 HB VAL 36 3.068 7.139 7.139 229 1HG1 VAL 36 2HG1 VAL 36 2.861 4.631 4.631 230 2HG1 VAL 36 1HG1 VAL 36 2.810 4.735 4.735 231 3HG1 VAL 36 3HG1 VAL 36 1.538 5.487 5.487 232 1HG2 VAL 36 1HG2 VAL 36 4.098 7.929 7.929 233 2HG2 VAL 36 3HG2 VAL 36 2.366 8.022 8.022 234 3HG2 VAL 36 2HG2 VAL 36 3.014 6.677 6.677 235 H LYS 37 H LYS 37 5.058 7.109 7.109 236 HA LYS 37 HA LYS 37 4.408 4.948 4.948 237 1HB LYS 37 2HB LYS 37 4.721 7.053 7.053 238 2HB LYS 37 1HB LYS 37 6.282 7.298 7.298 239 1HG LYS 37 2HG LYS 37 7.355 5.709 5.709 240 2HG LYS 37 1HG LYS 37 5.809 5.138 5.138 241 1HD LYS 37 2HD LYS 37 5.847 6.718 6.718 242 2HD LYS 37 1HD LYS 37 5.966 7.981 7.981 243 1HE LYS 37 2HE LYS 37 7.994 8.358 8.358 244 2HE LYS 37 1HE LYS 37 8.524 7.053 7.053 245 1HZ LYS 37 2HZ LYS 37 7.200 6.263 6.263 246 2HZ LYS 37 1HZ LYS 37 8.769 6.897 6.897 247 3HZ LYS 37 3HZ LYS 37 8.500 5.533 5.533 248 HA PRO 38 HA PRO 38 9.018 3.550 3.550 249 1HB PRO 38 2HB PRO 38 10.589 4.552 4.552 250 2HB PRO 38 1HB PRO 38 10.480 5.301 5.301 251 1HG PRO 38 2HG PRO 38 9.079 6.035 6.035 252 2HG PRO 38 1HG PRO 38 9.836 7.087 7.087 253 1HD PRO 38 2HD PRO 38 7.184 6.734 6.734 254 2HD PRO 38 1HD PRO 38 8.048 6.921 6.921 255 H VAL 39 H VAL 39 7.359 4.310 4.310 256 HA VAL 39 HA VAL 39 8.312 1.989 1.989 257 HB VAL 39 HB VAL 39 6.277 4.187 4.187 258 1HG1 VAL 39 2HG1 VAL 39 6.524 1.777 1.777 259 2HG1 VAL 39 1HG1 VAL 39 5.644 3.251 3.251 260 3HG1 VAL 39 3HG1 VAL 39 5.107 2.247 2.247 261 1HG2 VAL 39 2HG2 VAL 39 8.911 4.015 4.015 262 2HG2 VAL 39 1HG2 VAL 39 7.757 5.071 5.071 263 3HG2 VAL 39 3HG2 VAL 39 8.161 3.500 3.500 264 H LEU 40 H LEU 40 6.017 2.470 2.470 265 HA LEU 40 HA LEU 40 4.387 0.120 0.120 266 1HB LEU 40 2HB LEU 40 4.094 2.298 2.298 267 2HB LEU 40 1HB LEU 40 2.987 0.928 0.928 268 HG LEU 40 HG LEU 40 3.579 2.867 2.867 269 1HD1 LEU 40 1HD1 LEU 40 2.277 3.882 3.882 270 2HD1 LEU 40 3HD1 LEU 40 1.108 2.565 2.565 271 3HD1 LEU 40 2HD1 LEU 40 1.304 3.698 3.698 272 1HD2 LEU 40 2HD2 LEU 40 1.714 0.499 0.499 273 2HD2 LEU 40 1HD2 LEU 40 2.991 0.731 0.731 274 3HD2 LEU 40 3HD2 LEU 40 1.531 1.716 1.716 275 H LEU 41 H LEU 41 6.907 1.123 1.123 276 HA LEU 41 HA LEU 41 6.554 -1.033 -1.033 277 1HB LEU 41 2HB LEU 41 8.733 1.003 1.003 278 2HB LEU 41 1HB LEU 41 8.659 -0.031 -0.031 279 HG LEU 41 HG LEU 41 6.287 1.651 1.651 280 1HD1 LEU 41 2HD1 LEU 41 8.929 2.561 2.561 281 2HD1 LEU 41 1HD1 LEU 41 7.476 3.256 3.256 282 3HD1 LEU 41 3HD1 LEU 41 7.766 3.419 3.419 283 1HD2 LEU 41 3HD2 LEU 41 6.511 -0.191 -0.191 284 2HD2 LEU 41 2HD2 LEU 41 5.725 1.335 1.335 285 3HD2 LEU 41 1HD2 LEU 41 7.401 1.049 1.049 286 H ASN 42 H ASN 42 8.758 -0.215 -0.215 287 HA ASN 42 HA ASN 42 10.584 -2.324 -2.324 288 1HB ASN 42 2HB ASN 42 10.995 -1.934 -1.934 289 2HB ASN 42 1HB ASN 42 10.410 -0.394 -0.394 290 1HD2 ASN 42 1HD2 ASN 42 7.684 -0.625 -0.625 291 2HD2 ASN 42 2HD2 ASN 42 7.069 -1.011 -1.011 292 H SER 43 H SER 43 7.210 -2.397 -2.397 293 HA SER 43 HA SER 43 7.005 -4.910 -4.910 294 1HB SER 43 2HB SER 43 5.073 -3.497 -3.497 295 2HB SER 43 1HB SER 43 4.648 -4.707 -4.707 296 HG SER 43 HG SER 43 5.760 -2.128 -2.128 297 H LYS 44 H LYS 44 7.985 -4.253 -4.253 298 HA LYS 44 HA LYS 44 8.523 -5.757 -5.757 299 1HB LYS 44 2HB LYS 44 8.382 -7.281 -7.281 300 2HB LYS 44 1HB LYS 44 7.269 -8.107 -8.107 301 1HG LYS 44 2HG LYS 44 8.972 -8.369 -8.369 302 2HG LYS 44 1HG LYS 44 10.073 -7.300 -7.300 303 1HD LYS 44 2HD LYS 44 9.018 -9.874 -9.874 304 2HD LYS 44 1HD LYS 44 10.522 -9.796 -9.796 305 1HE LYS 44 2HE LYS 44 11.642 -8.720 -8.720 306 2HE LYS 44 1HE LYS 44 10.220 -7.761 -7.761 307 1HZ LYS 44 2HZ LYS 44 10.197 -10.681 -10.681 308 2HZ LYS 44 1HZ LYS 44 10.972 -9.707 -9.707 309 3HZ LYS 44 3HZ LYS 44 9.319 -9.491 -9.491 310 H LEU 45 H LEU 45 5.627 -4.680 -4.680 311 HA LEU 45 HA LEU 45 3.895 -6.405 -6.405 312 1HB LEU 45 2HB LEU 45 3.637 -4.102 -4.102 313 2HB LEU 45 1HB LEU 45 2.328 -4.391 -4.391 314 HG LEU 45 HG LEU 45 3.447 -6.422 -6.422 315 1HD1 LEU 45 1HD1 LEU 45 1.825 -4.336 -4.336 316 2HD1 LEU 45 3HD1 LEU 45 0.621 -5.512 -5.512 317 3HD1 LEU 45 2HD1 LEU 45 1.710 -5.898 -5.898 318 1HD2 LEU 45 1HD2 LEU 45 2.156 -6.858 -6.858 319 2HD2 LEU 45 3HD2 LEU 45 2.279 -8.013 -8.013 320 3HD2 LEU 45 2HD2 LEU 45 0.862 -6.972 -6.972 321 HA PRO 46 HA PRO 46 4.200 -3.801 -3.801 322 1HB PRO 46 2HB PRO 46 1.720 -4.166 -4.166 323 2HB PRO 46 1HB PRO 46 2.998 -5.396 -5.396 324 1HG PRO 46 2HG PRO 46 0.593 -5.241 -5.241 325 2HG PRO 46 1HG PRO 46 1.440 -6.654 -6.654 326 1HD PRO 46 2HD PRO 46 1.636 -5.703 -5.703 327 2HD PRO 46 1HD PRO 46 2.796 -6.795 -6.795 328 H VAL 47 H VAL 47 3.104 -1.870 -1.870 329 HA VAL 47 HA VAL 47 2.387 0.080 0.080 330 HB VAL 47 HB VAL 47 2.369 -0.049 -0.049 331 1HG1 VAL 47 2HG1 VAL 47 0.674 1.584 1.584 332 2HG1 VAL 47 1HG1 VAL 47 1.888 2.367 2.367 333 3HG1 VAL 47 3HG1 VAL 47 2.056 2.389 2.389 334 1HG2 VAL 47 1HG2 VAL 47 4.500 -0.040 -0.040 335 2HG2 VAL 47 3HG2 VAL 47 4.445 1.019 1.019 336 3HG2 VAL 47 2HG2 VAL 47 4.121 1.671 1.671 337 H ASP 48 H ASP 48 0.526 -2.356 -2.356 338 HA ASP 48 HA ASP 48 -1.986 -0.882 -0.882 339 1HB ASP 48 2HB ASP 48 -0.886 -3.365 -3.365 340 2HB ASP 48 1HB ASP 48 -2.233 -3.729 -3.729 341 H ILE 49 H ILE 49 -0.421 -3.040 -3.040 342 HA ILE 49 HA ILE 49 -2.606 -3.146 -3.146 343 HB ILE 49 HB ILE 49 0.367 -3.304 -3.304 344 1HG1 ILE 49 2HG1 ILE 49 -0.062 -4.726 -4.726 345 2HG1 ILE 49 1HG1 ILE 49 0.163 -5.735 -5.735 346 1HG2 ILE 49 2HG2 ILE 49 -2.073 -3.849 -3.849 347 2HG2 ILE 49 1HG2 ILE 49 -1.040 -5.278 -5.278 348 3HG2 ILE 49 3HG2 ILE 49 -0.409 -3.770 -3.770 349 1HD1 ILE 49 3HD1 ILE 49 -2.589 -5.121 -5.121 350 2HD1 ILE 49 2HD1 ILE 49 -2.126 -5.563 -5.563 351 3HD1 ILE 49 1HD1 ILE 49 -1.824 -6.679 -6.679 352 H LEU 50 H LEU 50 0.296 -1.185 -1.185 353 HA LEU 50 HA LEU 50 -0.098 0.504 0.504 354 1HB LEU 50 2HB LEU 50 1.300 1.151 1.151 355 2HB LEU 50 1HB LEU 50 1.693 1.772 1.772 356 HG LEU 50 HG LEU 50 2.113 -1.015 -1.015 357 1HD1 LEU 50 1HD1 LEU 50 3.849 0.812 0.812 358 2HD1 LEU 50 3HD1 LEU 50 3.961 0.838 0.838 359 3HD1 LEU 50 2HD1 LEU 50 4.398 -0.622 -0.622 360 1HD2 LEU 50 2HD2 LEU 50 1.561 -0.136 -0.136 361 2HD2 LEU 50 1HD2 LEU 50 1.407 -1.737 -1.737 362 3HD2 LEU 50 3HD2 LEU 50 2.984 -1.156 -1.156 363 H GLY 51 H GLY 51 -1.611 0.318 0.318 364 1HA GLY 51 2HA GLY 51 -2.513 3.134 3.134 365 2HA GLY 51 1HA GLY 51 -2.924 1.939 1.939 366 H ARG 52 H ARG 52 -3.630 -0.080 -0.080 367 HA ARG 52 HA ARG 52 -6.383 0.861 0.861 368 1HB ARG 52 2HB ARG 52 -5.214 -1.477 -1.477 369 2HB ARG 52 1HB ARG 52 -5.588 -1.864 -1.864 370 1HG ARG 52 2HG ARG 52 -7.920 -1.055 -1.055 371 2HG ARG 52 1HG ARG 52 -7.525 -0.823 -0.823 372 1HD ARG 52 2HD ARG 52 -6.967 -3.494 -3.494 373 2HD ARG 52 1HD ARG 52 -8.623 -3.093 -3.093 374 HE ARG 52 HE ARG 52 -6.471 -2.575 -2.575 375 1HH1 ARG 52 1HH2 ARG 52 -8.777 -4.806 -4.806 376 2HH1 ARG 52 2HH2 ARG 52 -9.187 -5.446 -5.446 377 1HH2 ARG 52 2HH1 ARG 52 -7.147 -3.248 -3.248 378 2HH2 ARG 52 1HH1 ARG 52 -8.266 -4.564 -4.564 379 H VAL 53 H VAL 53 -3.794 -0.877 -0.877 380 HA VAL 53 HA VAL 53 -4.904 -0.708 -0.708 381 HB VAL 53 HB VAL 53 -2.072 -0.552 -0.552 382 1HG1 VAL 53 2HG1 VAL 53 -3.033 -0.705 -0.705 383 2HG1 VAL 53 1HG1 VAL 53 -1.387 -1.083 -1.083 384 3HG1 VAL 53 3HG1 VAL 53 -2.019 0.549 0.549 385 1HG2 VAL 53 1HG2 VAL 53 -3.423 -2.646 -2.646 386 2HG2 VAL 53 3HG2 VAL 53 -2.003 -2.881 -2.881 387 3HG2 VAL 53 2HG2 VAL 53 -3.600 -2.732 -2.732 388 H TRP 54 H TRP 54 -2.660 1.650 1.650 389 HA TRP 54 HA TRP 54 -2.708 3.659 3.659 390 1HB TRP 54 2HB TRP 54 -1.271 3.845 3.845 391 2HB TRP 54 1HB TRP 54 -2.636 3.748 3.748 392 HD1 TRP 54 HD1 TRP 54 -4.425 5.845 5.845 393 HE1 TRP 54 HE1 TRP 54 -3.966 8.353 8.353 394 HE3 TRP 54 HE3 TRP 54 0.205 5.548 5.548 395 HZ2 TRP 54 HZ2 TRP 54 -1.915 10.001 10.001 396 HZ3 TRP 54 HZ3 TRP 54 1.388 7.605 7.605 397 HH2 TRP 54 HH2 TRP 54 0.332 9.830 9.830 398 H GLU 55 H GLU 55 -4.871 3.504 3.504 399 HA GLU 55 HA GLU 55 -6.520 5.666 5.666 400 1HB GLU 55 2HB GLU 55 -7.662 4.904 4.904 401 2HB GLU 55 1HB GLU 55 -6.389 3.693 3.693 402 1HG GLU 55 2HG GLU 55 -7.712 2.073 2.073 403 2HG GLU 55 1HG GLU 55 -8.887 3.279 3.279 404 H LEU 56 H LEU 56 -6.859 2.293 2.293 405 HA LEU 56 HA LEU 56 -9.139 2.900 2.900 406 1HB LEU 56 2HB LEU 56 -7.246 0.526 0.526 407 2HB LEU 56 1HB LEU 56 -8.850 0.552 0.552 408 HG LEU 56 HG LEU 56 -8.766 1.419 1.419 409 1HD1 LEU 56 1HD1 LEU 56 -7.104 -0.617 -0.617 410 2HD1 LEU 56 3HD1 LEU 56 -8.607 -1.537 -1.537 411 3HD1 LEU 56 2HD1 LEU 56 -8.199 -0.603 -0.603 412 1HD2 LEU 56 1HD2 LEU 56 -10.652 0.531 0.531 413 2HD2 LEU 56 3HD2 LEU 56 -10.944 0.784 0.784 414 3HD2 LEU 56 2HD2 LEU 56 -10.504 -0.817 -0.817 415 H SER 57 H SER 57 -5.803 3.453 3.453 416 HA SER 57 HA SER 57 -5.723 3.293 3.293 417 1HB SER 57 2HB SER 57 -3.518 2.903 2.903 418 2HB SER 57 1HB SER 57 -3.941 2.682 2.682 419 HG SER 57 HG SER 57 -2.249 4.296 4.296 420 H ASP 58 H ASP 58 -5.354 5.568 5.568 421 HA ASP 58 HA ASP 58 -4.870 7.893 7.893 422 1HB ASP 58 2HB ASP 58 -4.232 7.400 7.400 423 2HB ASP 58 1HB ASP 58 -5.889 7.885 7.885 424 H ILE 59 H ILE 59 -6.686 7.719 7.719 425 HA ILE 59 HA ILE 59 -9.379 7.457 7.457 426 HB ILE 59 HB ILE 59 -8.018 9.289 9.289 427 1HG1 ILE 59 2HG1 ILE 59 -7.394 6.836 6.836 428 2HG1 ILE 59 1HG1 ILE 59 -8.154 7.413 7.413 429 1HG2 ILE 59 3HG2 ILE 59 -10.809 8.812 8.812 430 2HG2 ILE 59 2HG2 ILE 59 -10.432 8.300 8.300 431 3HG2 ILE 59 1HG2 ILE 59 -10.096 9.956 9.956 432 1HD1 ILE 59 1HD1 ILE 59 -9.957 6.352 6.352 433 2HD1 ILE 59 3HD1 ILE 59 -8.972 5.180 5.180 434 3HD1 ILE 59 2HD1 ILE 59 -10.088 6.227 6.227 435 H ASP 60 H ASP 60 -7.373 10.356 10.356 436 HA ASP 60 HA ASP 60 -9.793 11.841 11.841 437 1HB ASP 60 2HB ASP 60 -8.476 13.813 13.813 438 2HB ASP 60 1HB ASP 60 -8.245 12.725 12.725 439 H HIS 61 H HIS 61 -7.110 10.144 10.144 440 HA HIS 61 HA HIS 61 -6.245 10.014 10.014 441 1HB HIS 61 2HB HIS 61 -8.988 11.244 11.244 442 2HB HIS 61 1HB HIS 61 -7.973 10.755 10.755 443 HD1 HIS 61 HD1 HIS 61 -8.040 8.326 8.326 444 HD2 HIS 61 HD2 HIS 61 -9.613 8.975 8.975 445 HE1 HIS 61 HE1 HIS 61 -8.998 6.112 6.112 446 H ASP 62 H ASP 62 -5.412 12.234 12.234 447 HA ASP 62 HA ASP 62 -5.437 14.558 14.558 448 1HB ASP 62 2HB ASP 62 -4.920 15.816 15.816 449 2HB ASP 62 1HB ASP 62 -6.009 14.557 14.557 450 H GLY 63 H GLY 63 -3.725 11.896 11.896 451 1HA GLY 63 2HA GLY 63 -1.597 11.488 11.488 452 2HA GLY 63 1HA GLY 63 -1.270 13.220 13.220 453 H MET 64 H MET 64 -2.477 12.064 12.064 454 HA MET 64 HA MET 64 0.241 11.525 11.525 455 1HB MET 64 2HB MET 64 -1.561 13.830 13.830 456 2HB MET 64 1HB MET 64 -0.868 13.150 13.150 457 1HG MET 64 2HG MET 64 1.378 13.297 13.297 458 2HG MET 64 1HG MET 64 0.666 14.061 14.061 459 1HE MET 64 2HE MET 64 2.909 14.822 14.822 460 2HE MET 64 1HE MET 64 2.835 16.537 16.537 461 3HE MET 64 3HE MET 64 2.725 15.316 15.316 462 H LEU 65 H LEU 65 0.129 10.520 10.520 463 HA LEU 65 HA LEU 65 -2.530 9.240 9.240 464 1HB LEU 65 2HB LEU 65 0.304 8.172 8.172 465 2HB LEU 65 1HB LEU 65 -0.954 7.335 7.335 466 HG LEU 65 HG LEU 65 -1.218 8.077 8.077 467 1HD1 LEU 65 1HD1 LEU 65 0.600 6.285 6.285 468 2HD1 LEU 65 3HD1 LEU 65 -0.827 5.251 5.251 469 3HD1 LEU 65 2HD1 LEU 65 -0.257 6.080 6.080 470 1HD2 LEU 65 2HD2 LEU 65 -3.230 7.576 7.576 471 2HD2 LEU 65 1HD2 LEU 65 -3.197 6.829 6.829 472 3HD2 LEU 65 3HD2 LEU 65 -2.703 5.903 5.903 473 H ASP 66 H ASP 66 -3.189 9.967 9.967 474 HA ASP 66 HA ASP 66 -1.337 11.224 11.224 475 1HB ASP 66 2HB ASP 66 -3.944 11.460 11.460 476 2HB ASP 66 1HB ASP 66 -4.034 10.199 10.199 477 H ARG 67 H ARG 67 -1.139 10.383 10.383 478 HA ARG 67 HA ARG 67 0.147 7.957 7.957 479 1HB ARG 67 2HB ARG 67 0.241 8.801 8.801 480 2HB ARG 67 1HB ARG 67 -1.017 9.957 9.957 481 1HG ARG 67 2HG ARG 67 -2.749 8.496 8.496 482 2HG ARG 67 1HG ARG 67 -1.650 7.123 7.123 483 1HD ARG 67 2HD ARG 67 -2.014 7.937 7.937 484 2HD ARG 67 1HD ARG 67 -0.368 8.404 8.404 485 HE ARG 67 HE ARG 67 -1.905 10.535 10.535 486 1HH1 ARG 67 1HH2 ARG 67 0.007 10.922 10.922 487 2HH1 ARG 67 2HH2 ARG 67 -1.019 11.365 11.365 488 1HH2 ARG 67 2HH1 ARG 67 -3.913 10.195 10.195 489 2HH2 ARG 67 1HH1 ARG 67 -3.241 10.951 10.951 490 H ASP 68 H ASP 68 -3.358 8.457 8.457 491 HA ASP 68 HA ASP 68 -3.960 5.658 5.658 492 1HB ASP 68 2HB ASP 68 -5.203 8.089 8.089 493 2HB ASP 68 1HB ASP 68 -6.048 7.430 7.430 494 H GLU 69 H GLU 69 -4.312 7.802 7.802 495 HA GLU 69 HA GLU 69 -5.413 5.879 5.879 496 1HB GLU 69 2HB GLU 69 -3.506 8.136 8.136 497 2HB GLU 69 1HB GLU 69 -4.816 7.503 7.503 498 1HG GLU 69 2HG GLU 69 -6.383 8.206 8.206 499 2HG GLU 69 1HG GLU 69 -5.022 9.150 9.150 500 H PHE 70 H PHE 70 -2.053 6.770 6.770 501 HA PHE 70 HA PHE 70 -0.756 5.108 5.108 502 1HB PHE 70 2HB PHE 70 0.157 6.963 6.963 503 2HB PHE 70 1HB PHE 70 0.173 5.767 5.767 504 HD1 PHE 70 HD2 PHE 70 1.452 3.566 3.566 505 HD2 PHE 70 HD1 PHE 70 1.929 7.083 7.083 506 HE1 PHE 70 HE2 PHE 70 3.623 2.698 2.698 507 HE2 PHE 70 HE1 PHE 70 4.099 6.217 6.217 508 HZ PHE 70 HZ PHE 70 4.937 4.026 4.026 509 H ALA 71 H ALA 71 -2.197 4.473 4.473 510 HA ALA 71 HA ALA 71 -1.047 1.896 1.896 511 1HB ALA 71 3HB ALA 71 -2.456 3.551 3.551 512 2HB ALA 71 2HB ALA 71 -3.853 2.749 2.749 513 3HB ALA 71 1HB ALA 71 -2.704 1.822 1.822 514 H VAL 72 H VAL 72 -4.025 2.881 2.881 515 HA VAL 72 HA VAL 72 -5.084 0.304 0.304 516 HB VAL 72 HB VAL 72 -5.229 2.934 2.934 517 1HG1 VAL 72 3HG1 VAL 72 -6.806 0.380 0.380 518 2HG1 VAL 72 2HG1 VAL 72 -7.588 1.918 1.918 519 3HG1 VAL 72 1HG1 VAL 72 -6.202 1.393 1.393 520 1HG2 VAL 72 2HG2 VAL 72 -6.863 1.781 1.781 521 2HG2 VAL 72 1HG2 VAL 72 -5.865 3.235 3.235 522 3HG2 VAL 72 3HG2 VAL 72 -7.340 3.202 3.202 523 H ALA 73 H ALA 73 -2.580 2.199 2.199 524 HA ALA 73 HA ALA 73 -2.507 0.526 0.526 525 1HB ALA 73 3HB ALA 73 -1.813 3.102 3.102 526 2HB ALA 73 2HB ALA 73 -0.246 2.299 2.299 527 3HB ALA 73 1HB ALA 73 -1.382 2.324 2.324 528 H MET 74 H MET 74 -1.244 0.145 0.145 529 HA MET 74 HA MET 74 1.216 -1.197 -1.197 530 1HB MET 74 2HB MET 74 0.138 -1.108 -1.108 531 2HB MET 74 1HB MET 74 1.811 -1.293 -1.293 532 1HG MET 74 2HG MET 74 0.137 1.174 1.174 533 2HG MET 74 1HG MET 74 1.820 0.939 0.939 534 1HE MET 74 3HE MET 74 2.911 -0.558 -0.558 535 2HE MET 74 2HE MET 74 2.957 -0.058 -0.058 536 3HE MET 74 1HE MET 74 3.904 0.821 0.821 537 H PHE 75 H PHE 75 -1.835 -2.092 -2.092 538 HA PHE 75 HA PHE 75 -1.135 -4.927 -4.927 539 1HB PHE 75 2HB PHE 75 -3.114 -5.174 -5.174 540 2HB PHE 75 1HB PHE 75 -2.744 -3.485 -3.485 541 HD1 PHE 75 HD1 PHE 75 -4.901 -5.794 -5.794 542 HD2 PHE 75 HD2 PHE 75 -4.031 -1.688 -1.688 543 HE1 PHE 75 HE1 PHE 75 -7.071 -5.118 -5.118 544 HE2 PHE 75 HE2 PHE 75 -6.195 -1.015 -1.015 545 HZ PHE 75 HZ PHE 75 -7.718 -2.727 -2.727 546 H LEU 76 H LEU 76 -2.366 -2.671 -2.671 547 HA LEU 76 HA LEU 76 -3.770 -4.657 -4.657 548 1HB LEU 76 2HB LEU 76 -3.210 -1.720 -1.720 549 2HB LEU 76 1HB LEU 76 -3.595 -2.469 -2.469 550 HG LEU 76 HG LEU 76 -5.292 -2.493 -2.493 551 1HD1 LEU 76 2HD1 LEU 76 -5.375 -1.114 -1.114 552 2HD1 LEU 76 1HD1 LEU 76 -6.906 -1.585 -1.585 553 3HD1 LEU 76 3HD1 LEU 76 -5.810 -0.502 -0.502 554 1HD2 LEU 76 3HD2 LEU 76 -5.431 -4.109 -4.109 555 2HD2 LEU 76 2HD2 LEU 76 -5.669 -4.640 -4.640 556 3HD2 LEU 76 1HD2 LEU 76 -6.912 -3.683 -3.683 557 H VAL 77 H VAL 77 -0.609 -3.206 -3.206 558 HA VAL 77 HA VAL 77 0.296 -4.202 -4.202 559 HB VAL 77 HB VAL 77 1.440 -2.557 -2.557 560 1HG1 VAL 77 3HG1 VAL 77 2.903 -3.685 -3.685 561 2HG1 VAL 77 2HG1 VAL 77 3.510 -2.351 -2.351 562 3HG1 VAL 77 1HG1 VAL 77 3.295 -3.948 -3.948 563 1HG2 VAL 77 2HG2 VAL 77 0.191 -2.068 -2.068 564 2HG2 VAL 77 1HG2 VAL 77 0.617 -0.913 -0.913 565 3HG2 VAL 77 3HG2 VAL 77 1.808 -1.363 -1.363 566 H TYR 78 H TYR 78 0.508 -5.028 -5.028 567 HA TYR 78 HA TYR 78 2.654 -6.990 -6.990 568 1HB TYR 78 2HB TYR 78 1.038 -5.790 -5.790 569 2HB TYR 78 1HB TYR 78 1.409 -7.493 -7.493 570 HD1 TYR 78 HD2 TYR 78 3.999 -7.943 -7.943 571 HD2 TYR 78 HD1 TYR 78 2.530 -4.443 -4.443 572 HE1 TYR 78 HE2 TYR 78 6.322 -7.326 -7.326 573 HE2 TYR 78 HE1 TYR 78 4.847 -3.829 -3.829 574 HH TYR 78 HH TYR 78 6.974 -4.542 -4.542 575 H CYS 79 H CYS 79 -0.850 -6.985 -6.985 576 HA CYS 79 HA CYS 79 -1.056 -9.921 -9.921 577 1HB CYS 79 2HB CYS 79 -2.747 -7.571 -7.571 578 2HB CYS 79 1HB CYS 79 -3.442 -8.766 -8.766 579 HG CYS 79 HG CYS 79 -3.479 -8.994 -8.994 580 H ALA 80 H ALA 80 -0.408 -7.607 -7.607 581 HA ALA 80 HA ALA 80 -1.510 -9.212 -9.212 582 1HB ALA 80 1HB ALA 80 -0.516 -6.517 -6.517 583 2HB ALA 80 3HB ALA 80 0.144 -7.175 -7.175 584 3HB ALA 80 2HB ALA 80 -1.601 -7.069 -7.069 585 H LEU 81 H LEU 81 1.277 -9.139 -9.139 586 HA LEU 81 HA LEU 81 3.134 -10.072 -10.072 587 1HB LEU 81 2HB LEU 81 3.629 -10.053 -10.053 588 2HB LEU 81 1HB LEU 81 4.768 -9.729 -9.729 589 HG LEU 81 HG LEU 81 2.678 -7.932 -7.932 590 1HD1 LEU 81 2HD1 LEU 81 5.617 -7.813 -7.813 591 2HD1 LEU 81 1HD1 LEU 81 4.695 -6.334 -6.334 592 3HD1 LEU 81 3HD1 LEU 81 4.809 -7.546 -7.546 593 1HD2 LEU 81 3HD2 LEU 81 3.600 -8.031 -8.031 594 2HD2 LEU 81 2HD2 LEU 81 2.053 -7.500 -7.500 595 3HD2 LEU 81 1HD2 LEU 81 3.461 -6.442 -6.442 596 H GLU 82 H GLU 82 1.607 -11.251 -11.251 597 HA GLU 82 HA GLU 82 2.649 -13.932 -13.932 598 1HB GLU 82 2HB GLU 82 1.963 -13.164 -13.164 599 2HB GLU 82 1HB GLU 82 0.454 -12.505 -12.505 600 1HG GLU 82 2HG GLU 82 -0.628 -14.480 -14.480 601 2HG GLU 82 1HG GLU 82 0.729 -15.394 -15.394 602 H LYS 83 H LYS 83 -0.598 -12.580 -12.580 603 HA LYS 83 HA LYS 83 -1.008 -14.104 -14.104 604 1HB LYS 83 2HB LYS 83 -0.873 -15.783 -15.783 605 2HB LYS 83 1HB LYS 83 -2.546 -15.291 -15.291 606 1HG LYS 83 2HG LYS 83 -1.904 -15.883 -15.883 607 2HG LYS 83 1HG LYS 83 -1.714 -17.271 -17.271 608 1HD LYS 83 2HD LYS 83 -3.987 -16.957 -16.957 609 2HD LYS 83 1HD LYS 83 -4.185 -15.521 -15.521 610 1HE LYS 83 2HE LYS 83 -3.340 -17.528 -17.528 611 2HE LYS 83 1HE LYS 83 -4.545 -18.305 -18.305 612 1HZ LYS 83 1HZ LYS 83 -5.787 -16.063 -16.063 613 2HZ LYS 83 3HZ LYS 83 -4.832 -15.922 -15.922 614 3HZ LYS 83 2HZ LYS 83 -5.883 -17.244 -17.244 615 H GLU 84 H GLU 84 -2.431 -12.484 -12.484 616 HA GLU 84 HA GLU 84 -5.109 -12.240 -12.240 617 1HB GLU 84 2HB GLU 84 -3.365 -10.866 -10.866 618 2HB GLU 84 1HB GLU 84 -4.960 -10.201 -10.201 619 1HG GLU 84 2HG GLU 84 -5.841 -12.599 -12.599 620 2HG GLU 84 1HG GLU 84 -4.279 -12.927 -12.927 621 HA PRO 85 HA PRO 85 -3.969 -9.268 -9.268 622 1HB PRO 85 2HB PRO 85 -6.358 -9.413 -9.413 623 2HB PRO 85 1HB PRO 85 -5.070 -10.619 -10.619 624 1HG PRO 85 2HG PRO 85 -7.566 -10.766 -10.766 625 2HG PRO 85 1HG PRO 85 -6.742 -12.029 -12.029 626 1HD PRO 85 2HD PRO 85 -6.596 -11.780 -11.780 627 2HD PRO 85 1HD PRO 85 -5.357 -12.567 -12.567 628 H VAL 86 H VAL 86 -5.370 -7.270 -7.270 629 HA VAL 86 HA VAL 86 -6.881 -6.151 -6.151 630 HB VAL 86 HB VAL 86 -4.898 -4.859 -4.859 631 1HG1 VAL 86 3HG1 VAL 86 -7.022 -3.720 -3.720 632 2HG1 VAL 86 2HG1 VAL 86 -5.451 -3.177 -3.177 633 3HG1 VAL 86 1HG1 VAL 86 -5.901 -2.908 -2.908 634 1HG2 VAL 86 1HG2 VAL 86 -4.690 -6.188 -6.188 635 2HG2 VAL 86 3HG2 VAL 86 -3.405 -5.597 -5.597 636 3HG2 VAL 86 2HG2 VAL 86 -4.159 -4.510 -4.510 637 HA PRO 87 HA PRO 87 -9.866 -5.397 -5.397 638 1HB PRO 87 2HB PRO 87 -11.846 -4.521 -4.521 639 2HB PRO 87 1HB PRO 87 -11.422 -6.234 -6.234 640 1HG PRO 87 2HG PRO 87 -10.915 -4.401 -4.401 641 2HG PRO 87 1HG PRO 87 -10.955 -6.167 -6.167 642 1HD PRO 87 2HD PRO 87 -8.664 -4.460 -4.460 643 2HD PRO 87 1HD PRO 87 -8.704 -6.235 -6.235 644 H MET 88 H MET 88 -11.574 -3.298 -3.298 645 HA MET 88 HA MET 88 -9.781 -0.907 -0.907 646 1HB MET 88 2HB MET 88 -12.149 -1.163 -1.163 647 2HB MET 88 1HB MET 88 -10.771 -0.079 -0.079 648 1HG MET 88 2HG MET 88 -9.329 -1.806 -1.806 649 2HG MET 88 1HG MET 88 -10.403 -3.072 -3.072 650 1HE MET 88 1HE MET 88 -12.382 -3.909 -3.909 651 2HE MET 88 3HE MET 88 -13.272 -2.379 -2.379 652 3HE MET 88 2HE MET 88 -13.214 -3.365 -3.365 653 H SER 89 H SER 89 -12.308 -2.314 -2.314 654 HA SER 89 HA SER 89 -13.802 0.257 0.257 655 1HB SER 89 2HB SER 89 -14.496 -2.648 -2.648 656 2HB SER 89 1HB SER 89 -15.531 -1.375 -1.375 657 HG SER 89 HG SER 89 -15.686 -0.534 -0.534 658 H LEU 90 H LEU 90 -12.756 1.242 1.242 659 HA LEU 90 HA LEU 90 -11.545 0.224 0.224 660 1HB LEU 90 2HB LEU 90 -12.639 2.689 2.689 661 2HB LEU 90 1HB LEU 90 -13.141 2.494 2.494 662 HG LEU 90 HG LEU 90 -10.286 1.975 1.975 663 1HD1 LEU 90 3HD1 LEU 90 -11.570 4.652 4.652 664 2HD1 LEU 90 2HD1 LEU 90 -9.829 4.364 4.364 665 3HD1 LEU 90 1HD1 LEU 90 -10.727 4.197 4.197 666 1HD2 LEU 90 3HD2 LEU 90 -11.319 1.391 1.391 667 2HD2 LEU 90 2HD2 LEU 90 -9.863 2.386 2.386 668 3HD2 LEU 90 1HD2 LEU 90 -11.448 3.129 3.129 669 HA PRO 91 HA PRO 91 -15.182 -1.961 -1.961 670 1HB PRO 91 2HB PRO 91 -13.813 -3.231 -3.231 671 2HB PRO 91 1HB PRO 91 -13.837 -3.806 -3.806 672 1HG PRO 91 2HG PRO 91 -11.763 -2.179 -2.179 673 2HG PRO 91 1HG PRO 91 -11.559 -3.563 -3.563 674 1HD PRO 91 2HD PRO 91 -11.195 -1.047 -1.047 675 2HD PRO 91 1HD PRO 91 -11.921 -2.290 -2.290 676 HA PRO 92 HA PRO 92 -16.196 0.899 0.899 677 1HB PRO 92 2HB PRO 92 -18.306 -0.433 -0.433 678 2HB PRO 92 1HB PRO 92 -18.401 0.398 0.398 679 1HG PRO 92 2HG PRO 92 -18.054 -2.500 -2.500 680 2HG PRO 92 1HG PRO 92 -19.015 -1.712 -1.712 681 1HD PRO 92 2HD PRO 92 -16.587 -2.855 -2.855 682 2HD PRO 92 1HD PRO 92 -17.223 -1.491 -1.491 683 H ALA 93 H ALA 93 -15.082 -2.278 -2.278 684 HA ALA 93 HA ALA 93 -15.143 -1.910 -1.910 685 1HB ALA 93 1HB ALA 93 -15.212 -4.073 -4.073 686 2HB ALA 93 3HB ALA 93 -13.662 -4.194 -4.194 687 3HB ALA 93 2HB ALA 93 -15.166 -4.179 -4.179 688 H LEU 94 H LEU 94 -13.506 -0.313 -0.313 689 HA LEU 94 HA LEU 94 -10.866 -0.711 -0.711 690 1HB LEU 94 2HB LEU 94 -10.424 -1.850 -1.850 691 2HB LEU 94 1HB LEU 94 -11.750 -1.088 -1.088 692 HG LEU 94 HG LEU 94 -10.118 1.034 1.034 693 1HD1 LEU 94 1HD1 LEU 94 -8.532 -0.834 -0.834 694 2HD1 LEU 94 3HD1 LEU 94 -8.045 -1.010 -1.010 695 3HD1 LEU 94 2HD1 LEU 94 -7.908 0.555 0.555 696 1HD2 LEU 94 3HD2 LEU 94 -11.097 -0.330 -0.330 697 2HD2 LEU 94 2HD2 LEU 94 -9.617 0.591 0.591 698 3HD2 LEU 94 1HD2 LEU 94 -9.535 -1.150 -1.150 699 H VAL 95 H VAL 95 -13.330 1.417 1.417 700 HA VAL 95 HA VAL 95 -11.609 3.761 3.761 701 HB VAL 95 HB VAL 95 -14.605 3.472 3.472 702 1HG1 VAL 95 3HG1 VAL 95 -13.286 5.777 5.777 703 2HG1 VAL 95 2HG1 VAL 95 -13.280 5.596 5.596 704 3HG1 VAL 95 1HG1 VAL 95 -14.810 5.649 5.649 705 1HG2 VAL 95 3HG2 VAL 95 -13.713 2.063 2.063 706 2HG2 VAL 95 2HG2 VAL 95 -14.693 3.394 3.394 707 3HG2 VAL 95 1HG2 VAL 95 -12.933 3.484 3.484 708 HA PRO 96 HA PRO 96 -11.501 4.590 4.590 709 1HB PRO 96 2HB PRO 96 -10.010 6.875 6.875 710 2HB PRO 96 1HB PRO 96 -9.306 5.252 5.252 711 1HG PRO 96 2HG PRO 96 -9.984 7.220 7.220 712 2HG PRO 96 1HG PRO 96 -8.625 6.093 6.093 713 1HD PRO 96 2HD PRO 96 -10.857 5.687 5.687 714 2HD PRO 96 1HD PRO 96 -9.810 4.386 4.386 715 HA PRO 97 HA PRO 97 -14.702 7.620 7.620 716 1HB PRO 97 2HB PRO 97 -14.492 8.227 8.227 717 2HB PRO 97 1HB PRO 97 -15.172 6.694 6.694 718 1HG PRO 97 2HG PRO 97 -12.494 7.262 7.262 719 2HG PRO 97 1HG PRO 97 -13.500 5.814 5.814 720 1HD PRO 97 2HD PRO 97 -11.319 6.073 6.073 721 2HD PRO 97 1HD PRO 97 -12.626 4.886 4.886 722 H SER 98 H SER 98 -14.990 9.899 9.899 723 HA SER 98 HA SER 98 -14.320 12.155 12.155 724 1HB SER 98 2HB SER 98 -11.580 11.375 11.375 725 2HB SER 98 1HB SER 98 -12.611 12.684 12.684 726 HG SER 98 HG SER 98 -13.870 11.157 11.157 727 H LYS 99 H LYS 99 -13.030 9.722 9.722 728 HA LYS 99 HA LYS 99 -11.534 11.624 11.624 729 1HB LYS 99 2HB LYS 99 -10.319 9.664 9.664 730 2HB LYS 99 1HB LYS 99 -11.264 8.606 8.606 731 1HG LYS 99 2HG LYS 99 -9.605 8.891 8.891 732 2HG LYS 99 1HG LYS 99 -10.288 10.497 10.497 733 1HD LYS 99 2HD LYS 99 -7.845 10.573 10.573 734 2HD LYS 99 1HD LYS 99 -8.795 11.437 11.437 735 1HE LYS 99 2HE LYS 99 -8.485 9.760 9.760 736 2HE LYS 99 1HE LYS 99 -8.078 8.532 8.532 737 1HZ LYS 99 1HZ LYS 99 -6.459 10.985 10.985 738 2HZ LYS 99 3HZ LYS 99 -6.142 9.577 9.577 739 3HZ LYS 99 2HZ LYS 99 -6.035 9.550 9.550 740 H ARG 100 H ARG 100 -14.401 10.006 10.006 741 HA ARG 100 HA ARG 100 -14.813 9.144 9.144 742 1HB ARG 100 2HB ARG 100 -16.930 8.329 8.329 743 2HB ARG 100 1HB ARG 100 -15.646 7.911 7.911 744 1HG ARG 100 2HG ARG 100 -16.650 10.551 10.551 745 2HG ARG 100 1HG ARG 100 -17.985 9.398 9.398 746 1HD ARG 100 2HD ARG 100 -15.432 9.093 9.093 747 2HD ARG 100 1HD ARG 100 -17.047 9.448 9.448 748 HE ARG 100 HE ARG 100 -16.256 6.885 6.885 749 1HH1 ARG 100 1HH2 ARG 100 -19.087 8.523 8.523 750 2HH1 ARG 100 2HH2 ARG 100 -19.867 7.375 7.375 751 1HH2 ARG 100 2HH1 ARG 100 -16.984 5.533 5.533 752 2HH2 ARG 100 1HH1 ARG 100 -18.675 5.681 5.681 Start of MODEL 20 1 HA PRO 6 HA PRO 6 -14.185 -3.277 -3.277 2 1HB PRO 6 2HB PRO 6 -11.637 -4.135 -4.135 3 2HB PRO 6 1HB PRO 6 -13.023 -4.559 -4.559 4 1HG PRO 6 2HG PRO 6 -11.642 -6.174 -6.174 5 2HG PRO 6 1HG PRO 6 -12.327 -6.678 -6.678 6 1HD PRO 6 2HD PRO 6 -13.562 -7.075 -7.075 7 2HD PRO 6 1HD PRO 6 -14.428 -6.932 -6.932 8 H TRP 7 H TRP 7 -11.693 -2.241 -2.241 9 HA TRP 7 HA TRP 7 -11.725 -1.405 -1.405 10 1HB TRP 7 2HB TRP 7 -10.906 -0.055 -0.055 11 2HB TRP 7 1HB TRP 7 -9.570 -1.190 -1.190 12 HD1 TRP 7 HD1 TRP 7 -10.692 -0.388 -0.388 13 HE1 TRP 7 HE1 TRP 7 -8.879 0.993 0.993 14 HE3 TRP 7 HE3 TRP 7 -7.612 0.631 0.631 15 HZ2 TRP 7 HZ2 TRP 7 -6.449 2.357 2.357 16 HZ3 TRP 7 HZ3 TRP 7 -5.557 1.978 1.978 17 HH2 TRP 7 HH2 TRP 7 -4.976 2.842 2.842 18 H ALA 8 H ALA 8 -10.938 -2.572 -2.572 19 HA ALA 8 HA ALA 8 -9.774 -5.069 -5.069 20 1HB ALA 8 3HB ALA 8 -9.174 -2.663 -2.663 21 2HB ALA 8 2HB ALA 8 -8.794 -4.329 -4.329 22 3HB ALA 8 1HB ALA 8 -10.475 -3.832 -3.832 23 H VAL 9 H VAL 9 -8.205 -2.039 -2.039 24 HA VAL 9 HA VAL 9 -5.585 -3.474 -3.474 25 HB VAL 9 HB VAL 9 -6.355 -0.553 -0.553 26 1HG1 VAL 9 2HG1 VAL 9 -3.616 -1.816 -1.816 27 2HG1 VAL 9 1HG1 VAL 9 -3.912 -0.118 -0.118 28 3HG1 VAL 9 3HG1 VAL 9 -4.428 -0.779 -0.779 29 1HG2 VAL 9 2HG2 VAL 9 -6.335 -2.195 -2.195 30 2HG2 VAL 9 1HG2 VAL 9 -5.439 -0.685 -0.685 31 3HG2 VAL 9 3HG2 VAL 9 -4.581 -2.185 -2.185 32 H LYS 10 H LYS 10 -4.975 -3.965 -3.965 33 HA LYS 10 HA LYS 10 -6.480 -2.881 -2.881 34 1HB LYS 10 2HB LYS 10 -4.603 -5.079 -5.079 35 2HB LYS 10 1HB LYS 10 -4.500 -4.474 -4.474 36 1HG LYS 10 2HG LYS 10 -6.438 -5.476 -5.476 37 2HG LYS 10 1HG LYS 10 -7.268 -4.762 -4.762 38 1HD LYS 10 2HD LYS 10 -7.360 -6.866 -6.866 39 2HD LYS 10 1HD LYS 10 -5.641 -6.672 -6.672 40 1HE LYS 10 2HE LYS 10 -6.182 -8.755 -8.755 41 2HE LYS 10 1HE LYS 10 -5.059 -7.662 -7.662 42 1HZ LYS 10 2HZ LYS 10 -7.889 -7.109 -7.109 43 2HZ LYS 10 1HZ LYS 10 -7.323 -8.531 -8.531 44 3HZ LYS 10 3HZ LYS 10 -6.617 -7.040 -7.040 45 HA PRO 11 HA PRO 11 -3.543 0.044 0.044 46 1HB PRO 11 2HB PRO 11 -3.017 -0.725 -0.725 47 2HB PRO 11 1HB PRO 11 -4.539 0.045 0.045 48 1HG PRO 11 2HG PRO 11 -3.936 -2.851 -2.851 49 2HG PRO 11 1HG PRO 11 -5.358 -1.915 -1.915 50 1HD PRO 11 2HD PRO 11 -5.398 -3.511 -3.511 51 2HD PRO 11 1HD PRO 11 -6.298 -1.978 -1.978 52 H GLU 12 H GLU 12 -2.683 -3.331 -3.331 53 HA GLU 12 HA GLU 12 0.167 -2.844 -2.844 54 1HB GLU 12 2HB GLU 12 0.263 -5.230 -5.230 55 2HB GLU 12 1HB GLU 12 -1.294 -4.803 -4.803 56 1HG GLU 12 2HG GLU 12 -2.428 -5.271 -5.271 57 2HG GLU 12 1HG GLU 12 -0.881 -5.621 -5.621 58 H ASP 13 H ASP 13 -2.037 -3.296 -3.296 59 HA ASP 13 HA ASP 13 0.048 -3.922 -3.922 60 1HB ASP 13 2HB ASP 13 -2.917 -3.502 -3.502 61 2HB ASP 13 1HB ASP 13 -2.116 -3.327 -3.327 62 H LYS 14 H LYS 14 -1.985 -1.167 -1.167 63 HA LYS 14 HA LYS 14 -0.890 0.640 0.640 64 1HB LYS 14 2HB LYS 14 -3.115 0.665 0.665 65 2HB LYS 14 1HB LYS 14 -2.133 1.450 1.450 66 1HG LYS 14 2HG LYS 14 -1.617 2.629 2.629 67 2HG LYS 14 1HG LYS 14 -3.339 2.680 2.680 68 1HD LYS 14 2HD LYS 14 -1.934 3.355 3.355 69 2HD LYS 14 1HD LYS 14 -1.253 4.317 4.317 70 1HE LYS 14 2HE LYS 14 -3.918 4.534 4.534 71 2HE LYS 14 1HE LYS 14 -3.951 4.447 4.447 72 1HZ LYS 14 1HZ LYS 14 -1.801 6.017 6.017 73 2HZ LYS 14 3HZ LYS 14 -2.881 6.509 6.509 74 3HZ LYS 14 2HZ LYS 14 -3.345 6.587 6.587 75 H ALA 15 H ALA 15 0.193 -0.603 -0.603 76 HA ALA 15 HA ALA 15 1.860 1.609 1.609 77 1HB ALA 15 1HB ALA 15 1.026 -0.921 -0.921 78 2HB ALA 15 3HB ALA 15 2.773 -1.066 -1.066 79 3HB ALA 15 2HB ALA 15 2.099 0.190 0.190 80 H LYS 16 H LYS 16 2.198 -1.160 -1.160 81 HA LYS 16 HA LYS 16 5.069 -0.733 -0.733 82 1HB LYS 16 2HB LYS 16 3.048 -2.407 -2.407 83 2HB LYS 16 1HB LYS 16 4.791 -2.674 -2.674 84 1HG LYS 16 2HG LYS 16 4.572 -3.097 -3.097 85 2HG LYS 16 1HG LYS 16 2.840 -2.795 -2.795 86 1HD LYS 16 2HD LYS 16 3.536 -5.255 -5.255 87 2HD LYS 16 1HD LYS 16 2.480 -4.733 -4.733 88 1HE LYS 16 2HE LYS 16 4.356 -4.557 -4.557 89 2HE LYS 16 1HE LYS 16 5.508 -4.866 -4.866 90 1HZ LYS 16 1HZ LYS 16 3.319 -6.768 -6.768 91 2HZ LYS 16 3HZ LYS 16 4.557 -6.814 -6.814 92 3HZ LYS 16 2HZ LYS 16 4.924 -7.041 -7.041 93 H TYR 17 H TYR 17 1.954 -0.311 -0.311 94 HA TYR 17 HA TYR 17 2.930 0.900 0.900 95 1HB TYR 17 2HB TYR 17 0.359 1.447 1.447 96 2HB TYR 17 1HB TYR 17 0.623 1.675 1.675 97 HD1 TYR 17 HD2 TYR 17 2.426 -1.176 -1.176 98 HD2 TYR 17 HD1 TYR 17 -1.659 0.152 0.152 99 HE1 TYR 17 HE2 TYR 17 1.665 -3.492 -3.492 100 HE2 TYR 17 HE1 TYR 17 -2.424 -2.163 -2.163 101 HH TYR 17 HH TYR 17 -0.162 -4.713 -4.713 102 H ASP 18 H ASP 18 2.731 1.880 1.880 103 HA ASP 18 HA ASP 18 2.778 4.780 4.780 104 1HB ASP 18 2HB ASP 18 1.574 4.131 4.131 105 2HB ASP 18 1HB ASP 18 2.808 2.971 2.971 106 H ALA 19 H ALA 19 5.039 2.183 2.183 107 HA ALA 19 HA ALA 19 7.281 4.009 4.009 108 1HB ALA 19 1HB ALA 19 6.706 1.099 1.099 109 2HB ALA 19 3HB ALA 19 8.347 1.544 1.544 110 3HB ALA 19 2HB ALA 19 7.728 1.999 1.999 111 H ILE 20 H ILE 20 5.830 2.248 2.248 112 HA ILE 20 HA ILE 20 7.954 2.741 2.741 113 HB ILE 20 HB ILE 20 5.125 1.669 1.669 114 1HG1 ILE 20 2HG1 ILE 20 7.605 0.257 0.257 115 2HG1 ILE 20 1HG1 ILE 20 7.262 0.381 0.381 116 1HG2 ILE 20 2HG2 ILE 20 5.621 2.952 2.952 117 2HG2 ILE 20 1HG2 ILE 20 6.876 1.757 1.757 118 3HG2 ILE 20 3HG2 ILE 20 5.190 1.258 1.258 119 1HD1 ILE 20 2HD1 ILE 20 5.186 -0.610 -0.610 120 2HD1 ILE 20 1HD1 ILE 20 6.359 -1.703 -1.703 121 3HD1 ILE 20 3HD1 ILE 20 5.222 -0.814 -0.814 122 H PHE 21 H PHE 21 4.909 4.136 4.136 123 HA PHE 21 HA PHE 21 4.593 6.049 6.049 124 1HB PHE 21 2HB PHE 21 2.636 5.690 5.690 125 2HB PHE 21 1HB PHE 21 3.496 5.455 5.455 126 HD1 PHE 21 HD2 PHE 21 4.473 7.465 7.465 127 HD2 PHE 21 HD1 PHE 21 1.726 7.815 7.815 128 HE1 PHE 21 HE2 PHE 21 3.991 9.803 9.803 129 HE2 PHE 21 HE1 PHE 21 1.238 10.155 10.155 130 HZ PHE 21 HZ PHE 21 2.378 11.150 11.150 131 H ASP 22 H ASP 22 6.052 6.098 6.098 132 HA ASP 22 HA ASP 22 6.970 8.880 8.880 133 1HB ASP 22 2HB ASP 22 6.170 8.103 8.103 134 2HB ASP 22 1HB ASP 22 7.256 6.710 6.710 135 H SER 23 H SER 23 8.003 6.029 6.029 136 HA SER 23 HA SER 23 10.913 6.464 6.464 137 1HB SER 23 2HB SER 23 9.107 4.344 4.344 138 2HB SER 23 1HB SER 23 10.772 4.384 4.384 139 HG SER 23 HG SER 23 11.381 3.639 3.639 140 H LEU 24 H LEU 24 8.530 7.702 7.702 141 HA LEU 24 HA LEU 24 10.273 8.080 8.080 142 1HB LEU 24 2HB LEU 24 7.423 8.823 8.823 143 2HB LEU 24 1HB LEU 24 8.368 7.829 7.829 144 HG LEU 24 HG LEU 24 7.306 6.871 6.871 145 1HD1 LEU 24 2HD1 LEU 24 5.731 7.472 7.472 146 2HD1 LEU 24 1HD1 LEU 24 6.210 5.829 5.829 147 3HD1 LEU 24 3HD1 LEU 24 5.393 6.138 6.138 148 1HD2 LEU 24 3HD2 LEU 24 9.169 5.830 5.830 149 2HD2 LEU 24 2HD2 LEU 24 8.727 5.163 5.163 150 3HD2 LEU 24 1HD2 LEU 24 7.771 4.765 4.765 151 H SER 25 H SER 25 9.297 9.533 9.533 152 HA SER 25 HA SER 25 9.589 11.766 11.766 153 1HB SER 25 2HB SER 25 10.881 13.126 13.126 154 2HB SER 25 1HB SER 25 11.131 11.627 11.627 155 HG SER 25 HG SER 25 10.027 13.877 13.877 156 HA PRO 26 HA PRO 26 5.239 12.234 12.234 157 1HB PRO 26 2HB PRO 26 4.354 12.698 12.698 158 2HB PRO 26 1HB PRO 26 4.618 11.062 11.062 159 1HG PRO 26 2HG PRO 26 6.339 12.698 12.698 160 2HG PRO 26 1HG PRO 26 6.008 10.959 10.959 161 1HD PRO 26 2HD PRO 26 8.300 12.052 12.052 162 2HD PRO 26 1HD PRO 26 7.633 10.492 10.492 163 H VAL 27 H VAL 27 4.107 14.166 14.166 164 HA VAL 27 HA VAL 27 5.471 16.636 16.636 165 HB VAL 27 HB VAL 27 3.800 16.079 16.079 166 1HG1 VAL 27 1HG1 VAL 27 4.720 18.583 18.583 167 2HG1 VAL 27 3HG1 VAL 27 4.960 18.492 18.492 168 3HG1 VAL 27 2HG1 VAL 27 3.343 18.308 18.308 169 1HG2 VAL 27 2HG2 VAL 27 6.151 15.171 15.171 170 2HG2 VAL 27 1HG2 VAL 27 5.884 16.377 16.377 171 3HG2 VAL 27 3HG2 VAL 27 6.730 16.822 16.822 172 H ASN 28 H ASN 28 4.260 17.109 17.109 173 HA ASN 28 HA ASN 28 2.367 17.819 17.819 174 1HB ASN 28 2HB ASN 28 2.219 19.152 19.152 175 2HB ASN 28 1HB ASN 28 1.024 17.962 17.962 176 1HD2 ASN 28 1HD2 ASN 28 -0.786 17.598 17.598 177 2HD2 ASN 28 2HD2 ASN 28 -1.375 19.008 19.008 178 H GLY 29 H GLY 29 2.826 14.952 14.952 179 1HA GLY 29 2HA GLY 29 1.678 12.964 12.964 180 2HA GLY 29 1HA GLY 29 0.194 13.910 13.910 181 H PHE 30 H PHE 30 2.293 14.026 14.026 182 HA PHE 30 HA PHE 30 0.306 12.426 12.426 183 1HB PHE 30 2HB PHE 30 1.290 15.230 15.230 184 2HB PHE 30 1HB PHE 30 0.242 14.276 14.276 185 HD1 PHE 30 HD2 PHE 30 -1.674 13.025 13.025 186 HD2 PHE 30 HD1 PHE 30 0.111 16.862 16.862 187 HE1 PHE 30 HE2 PHE 30 -3.675 13.724 13.724 188 HE2 PHE 30 HE1 PHE 30 -1.874 17.567 17.567 189 HZ PHE 30 HZ PHE 30 -3.772 15.999 15.999 190 H LEU 31 H LEU 31 1.104 11.691 11.691 191 HA LEU 31 HA LEU 31 4.051 11.980 11.980 192 1HB LEU 31 2HB LEU 31 2.360 9.465 9.465 193 2HB LEU 31 1HB LEU 31 3.979 9.513 9.513 194 HG LEU 31 HG LEU 31 3.490 10.539 10.539 195 1HD1 LEU 31 2HD1 LEU 31 2.610 8.226 8.226 196 2HD1 LEU 31 1HD1 LEU 31 4.139 7.683 7.683 197 3HD1 LEU 31 3HD1 LEU 31 4.086 8.310 8.310 198 1HD2 LEU 31 3HD2 LEU 31 5.797 9.820 9.820 199 2HD2 LEU 31 2HD2 LEU 31 5.659 11.093 11.093 200 3HD2 LEU 31 1HD2 LEU 31 5.952 9.425 9.425 201 H SER 32 H SER 32 4.491 12.444 12.444 202 HA SER 32 HA SER 32 2.254 12.718 12.718 203 1HB SER 32 2HB SER 32 4.722 13.932 13.932 204 2HB SER 32 1HB SER 32 4.884 13.143 13.143 205 HG SER 32 HG SER 32 2.778 14.154 14.154 206 H GLY 33 H GLY 33 2.057 11.669 11.669 207 1HA GLY 33 2HA GLY 33 2.655 8.929 8.929 208 2HA GLY 33 1HA GLY 33 2.348 9.941 9.941 209 H ASP 34 H ASP 34 4.715 11.682 11.682 210 HA ASP 34 HA ASP 34 6.715 10.350 10.350 211 1HB ASP 34 2HB ASP 34 6.371 12.806 12.806 212 2HB ASP 34 1HB ASP 34 6.893 12.727 12.727 213 H LYS 35 H LYS 35 5.802 9.985 9.985 214 HA LYS 35 HA LYS 35 8.512 8.956 8.956 215 1HB LYS 35 2HB LYS 35 6.278 9.537 9.537 216 2HB LYS 35 1HB LYS 35 8.018 9.676 9.676 217 1HG LYS 35 2HG LYS 35 8.072 11.626 11.626 218 2HG LYS 35 1HG LYS 35 6.327 11.489 11.489 219 1HD LYS 35 2HD LYS 35 6.763 13.184 13.184 220 2HD LYS 35 1HD LYS 35 6.047 11.773 11.773 221 1HE LYS 35 2HE LYS 35 7.835 12.046 12.046 222 2HE LYS 35 1HE LYS 35 8.677 11.116 11.116 223 1HZ LYS 35 2HZ LYS 35 8.422 14.077 14.077 224 2HZ LYS 35 1HZ LYS 35 9.803 13.235 13.235 225 3HZ LYS 35 3HZ LYS 35 9.315 13.140 13.140 226 H VAL 36 H VAL 36 5.036 8.383 8.383 227 HA VAL 36 HA VAL 36 5.314 5.675 5.675 228 HB VAL 36 HB VAL 36 2.994 7.154 7.154 229 1HG1 VAL 36 1HG1 VAL 36 2.849 4.621 4.621 230 2HG1 VAL 36 3HG1 VAL 36 2.926 4.905 4.905 231 3HG1 VAL 36 2HG1 VAL 36 1.585 5.557 5.557 232 1HG2 VAL 36 1HG2 VAL 36 4.408 7.461 7.461 233 2HG2 VAL 36 3HG2 VAL 36 3.182 8.498 8.498 234 3HG2 VAL 36 2HG2 VAL 36 2.697 7.105 7.105 235 H LYS 37 H LYS 37 4.322 7.090 7.090 236 HA LYS 37 HA LYS 37 3.701 4.817 4.817 237 1HB LYS 37 2HB LYS 37 3.793 7.231 7.231 238 2HB LYS 37 1HB LYS 37 5.524 7.013 7.013 239 1HG LYS 37 2HG LYS 37 4.857 4.951 4.951 240 2HG LYS 37 1HG LYS 37 3.241 5.658 5.658 241 1HD LYS 37 2HD LYS 37 3.843 7.167 7.167 242 2HD LYS 37 1HD LYS 37 5.233 7.675 7.675 243 1HE LYS 37 2HE LYS 37 6.412 6.778 6.778 244 2HE LYS 37 1HE LYS 37 6.115 5.251 5.251 245 1HZ LYS 37 1HZ LYS 37 3.921 5.202 5.202 246 2HZ LYS 37 3HZ LYS 37 4.511 6.450 6.450 247 3HZ LYS 37 2HZ LYS 37 5.291 4.939 4.939 248 HA PRO 38 HA PRO 38 8.345 3.883 3.883 249 1HB PRO 38 2HB PRO 38 10.135 4.954 4.954 250 2HB PRO 38 1HB PRO 38 9.709 5.740 5.740 251 1HG PRO 38 2HG PRO 38 8.713 6.297 6.297 252 2HG PRO 38 1HG PRO 38 9.136 7.428 7.428 253 1HD PRO 38 2HD PRO 38 6.586 6.785 6.785 254 2HD PRO 38 1HD PRO 38 7.114 7.186 7.186 255 H VAL 39 H VAL 39 7.296 4.497 4.497 256 HA VAL 39 HA VAL 39 8.575 2.288 2.288 257 HB VAL 39 HB VAL 39 6.289 4.168 4.168 258 1HG1 VAL 39 3HG1 VAL 39 5.464 1.930 1.930 259 2HG1 VAL 39 2HG1 VAL 39 6.850 1.845 1.845 260 3HG1 VAL 39 1HG1 VAL 39 5.635 3.107 3.107 261 1HG2 VAL 39 3HG2 VAL 39 9.011 3.978 3.978 262 2HG2 VAL 39 2HG2 VAL 39 7.847 5.199 5.199 263 3HG2 VAL 39 1HG2 VAL 39 8.086 3.745 3.745 264 H LEU 40 H LEU 40 5.602 2.601 2.601 265 HA LEU 40 HA LEU 40 4.609 -0.059 -0.059 266 1HB LEU 40 2HB LEU 40 3.866 1.863 1.863 267 2HB LEU 40 1HB LEU 40 2.892 0.506 0.506 268 HG LEU 40 HG LEU 40 3.609 3.018 3.018 269 1HD1 LEU 40 1HD1 LEU 40 1.113 1.768 1.768 270 2HD1 LEU 40 3HD1 LEU 40 1.006 2.809 2.809 271 3HD1 LEU 40 2HD1 LEU 40 1.654 3.445 3.445 272 1HD2 LEU 40 3HD2 LEU 40 2.654 0.338 0.338 273 2HD2 LEU 40 2HD2 LEU 40 3.893 1.388 1.388 274 3HD2 LEU 40 1HD2 LEU 40 2.184 1.810 1.810 275 H LEU 41 H LEU 41 6.865 1.272 1.272 276 HA LEU 41 HA LEU 41 6.671 -0.799 -0.799 277 1HB LEU 41 2HB LEU 41 8.667 1.351 1.351 278 2HB LEU 41 1HB LEU 41 8.909 0.276 0.276 279 HG LEU 41 HG LEU 41 6.424 1.960 1.960 280 1HD1 LEU 41 3HD1 LEU 41 8.935 2.948 2.948 281 2HD1 LEU 41 2HD1 LEU 41 8.320 2.662 2.662 282 3HD1 LEU 41 1HD1 LEU 41 7.434 3.712 3.712 283 1HD2 LEU 41 3HD2 LEU 41 6.735 -0.243 -0.243 284 2HD2 LEU 41 2HD2 LEU 41 5.731 1.119 1.119 285 3HD2 LEU 41 1HD2 LEU 41 7.379 0.966 0.966 286 H ASN 42 H ASN 42 8.296 -0.368 -0.368 287 HA ASN 42 HA ASN 42 10.368 -2.329 -2.329 288 1HB ASN 42 2HB ASN 42 8.932 -1.357 -1.357 289 2HB ASN 42 1HB ASN 42 10.475 -2.214 -2.214 290 1HD2 ASN 42 1HD2 ASN 42 8.891 0.835 0.835 291 2HD2 ASN 42 2HD2 ASN 42 10.317 1.733 1.733 292 H SER 43 H SER 43 6.973 -2.561 -2.561 293 HA SER 43 HA SER 43 6.830 -5.138 -5.138 294 1HB SER 43 2HB SER 43 4.711 -4.134 -4.134 295 2HB SER 43 1HB SER 43 4.556 -4.783 -4.783 296 HG SER 43 HG SER 43 5.228 -2.859 -2.859 297 H LYS 44 H LYS 44 8.019 -4.345 -4.345 298 HA LYS 44 HA LYS 44 8.495 -5.663 -5.663 299 1HB LYS 44 2HB LYS 44 8.620 -7.264 -7.264 300 2HB LYS 44 1HB LYS 44 7.438 -8.125 -8.125 301 1HG LYS 44 2HG LYS 44 9.141 -7.782 -7.782 302 2HG LYS 44 1HG LYS 44 10.303 -7.454 -7.454 303 1HD LYS 44 2HD LYS 44 10.247 -9.621 -9.621 304 2HD LYS 44 1HD LYS 44 8.589 -9.888 -9.888 305 1HE LYS 44 2HE LYS 44 10.267 -9.382 -9.382 306 2HE LYS 44 1HE LYS 44 10.957 -10.699 -10.699 307 1HZ LYS 44 1HZ LYS 44 8.398 -11.318 -11.318 308 2HZ LYS 44 3HZ LYS 44 8.366 -10.542 -10.542 309 3HZ LYS 44 2HZ LYS 44 9.381 -11.882 -11.882 310 H LEU 45 H LEU 45 5.669 -4.664 -4.664 311 HA LEU 45 HA LEU 45 3.936 -6.504 -6.504 312 1HB LEU 45 2HB LEU 45 3.641 -4.228 -4.228 313 2HB LEU 45 1HB LEU 45 2.302 -4.577 -4.577 314 HG LEU 45 HG LEU 45 3.614 -6.607 -6.607 315 1HD1 LEU 45 2HD1 LEU 45 1.293 -4.752 -4.752 316 2HD1 LEU 45 1HD1 LEU 45 1.125 -6.379 -6.379 317 3HD1 LEU 45 3HD1 LEU 45 2.424 -5.328 -5.328 318 1HD2 LEU 45 2HD2 LEU 45 2.230 -7.074 -7.074 319 2HD2 LEU 45 1HD2 LEU 45 2.253 -8.181 -8.181 320 3HD2 LEU 45 3HD2 LEU 45 0.918 -7.047 -7.047 321 HA PRO 46 HA PRO 46 3.983 -3.867 -3.867 322 1HB PRO 46 2HB PRO 46 1.433 -4.204 -4.204 323 2HB PRO 46 1HB PRO 46 2.691 -5.445 -5.445 324 1HG PRO 46 2HG PRO 46 0.420 -5.275 -5.275 325 2HG PRO 46 1HG PRO 46 1.174 -6.692 -6.692 326 1HD PRO 46 2HD PRO 46 1.618 -5.863 -5.863 327 2HD PRO 46 1HD PRO 46 2.721 -6.891 -6.891 328 H VAL 47 H VAL 47 2.981 -1.849 -1.849 329 HA VAL 47 HA VAL 47 2.331 0.024 0.024 330 HB VAL 47 HB VAL 47 2.273 -0.084 -0.084 331 1HG1 VAL 47 3HG1 VAL 47 1.170 2.116 2.116 332 2HG1 VAL 47 2HG1 VAL 47 1.772 2.433 2.433 333 3HG1 VAL 47 1HG1 VAL 47 0.405 1.345 1.345 334 1HG2 VAL 47 1HG2 VAL 47 4.077 0.730 0.730 335 2HG2 VAL 47 3HG2 VAL 47 4.381 0.617 0.617 336 3HG2 VAL 47 2HG2 VAL 47 3.728 2.106 2.106 337 H ASP 48 H ASP 48 0.385 -2.364 -2.364 338 HA ASP 48 HA ASP 48 -2.153 -0.963 -0.963 339 1HB ASP 48 2HB ASP 48 -1.222 -3.197 -3.197 340 2HB ASP 48 1HB ASP 48 -1.885 -3.911 -3.911 341 H ILE 49 H ILE 49 -0.380 -3.046 -3.046 342 HA ILE 49 HA ILE 49 -2.451 -3.125 -3.125 343 HB ILE 49 HB ILE 49 0.537 -3.377 -3.377 344 1HG1 ILE 49 2HG1 ILE 49 0.000 -4.740 -4.740 345 2HG1 ILE 49 1HG1 ILE 49 0.237 -5.795 -5.795 346 1HG2 ILE 49 2HG2 ILE 49 -1.933 -4.124 -4.124 347 2HG2 ILE 49 1HG2 ILE 49 -0.642 -5.326 -5.326 348 3HG2 ILE 49 3HG2 ILE 49 -0.339 -3.700 -3.700 349 1HD1 ILE 49 3HD1 ILE 49 -2.461 -5.194 -5.194 350 2HD1 ILE 49 2HD1 ILE 49 -2.174 -5.348 -5.348 351 3HD1 ILE 49 1HD1 ILE 49 -1.771 -6.681 -6.681 352 H LEU 50 H LEU 50 0.536 -1.307 -1.307 353 HA LEU 50 HA LEU 50 0.242 0.437 0.437 354 1HB LEU 50 2HB LEU 50 1.635 1.124 1.124 355 2HB LEU 50 1HB LEU 50 2.117 1.546 1.546 356 HG LEU 50 HG LEU 50 2.327 -1.131 -1.131 357 1HD1 LEU 50 2HD1 LEU 50 4.246 0.679 0.679 358 2HD1 LEU 50 1HD1 LEU 50 4.660 -0.931 -0.931 359 3HD1 LEU 50 3HD1 LEU 50 4.228 0.343 0.343 360 1HD2 LEU 50 1HD2 LEU 50 1.798 -0.559 -0.559 361 2HD2 LEU 50 3HD2 LEU 50 1.730 -2.094 -2.094 362 3HD2 LEU 50 2HD2 LEU 50 3.270 -1.495 -1.495 363 H GLY 51 H GLY 51 -1.158 0.310 0.310 364 1HA GLY 51 2HA GLY 51 -2.035 3.128 3.128 365 2HA GLY 51 1HA GLY 51 -2.422 1.949 1.949 366 H ARG 52 H ARG 52 -3.205 -0.069 -0.069 367 HA ARG 52 HA ARG 52 -5.957 0.935 0.935 368 1HB ARG 52 2HB ARG 52 -5.009 -1.362 -1.362 369 2HB ARG 52 1HB ARG 52 -5.125 -1.850 -1.850 370 1HG ARG 52 2HG ARG 52 -7.453 -1.203 -1.203 371 2HG ARG 52 1HG ARG 52 -7.374 -0.538 -0.538 372 1HD ARG 52 2HD ARG 52 -6.822 -3.452 -3.452 373 2HD ARG 52 1HD ARG 52 -8.411 -2.838 -2.838 374 HE ARG 52 HE ARG 52 -6.000 -2.287 -2.287 375 1HH1 ARG 52 1HH2 ARG 52 -7.478 -4.992 -4.992 376 2HH1 ARG 52 2HH2 ARG 52 -8.506 -4.666 -4.666 377 1HH2 ARG 52 2HH1 ARG 52 -8.056 -1.229 -1.229 378 2HH2 ARG 52 1HH1 ARG 52 -8.831 -2.535 -2.535 379 H VAL 53 H VAL 53 -3.537 -0.983 -0.983 380 HA VAL 53 HA VAL 53 -4.651 -0.828 -0.828 381 HB VAL 53 HB VAL 53 -1.794 -0.644 -0.644 382 1HG1 VAL 53 1HG1 VAL 53 -2.787 -0.062 -0.062 383 2HG1 VAL 53 3HG1 VAL 53 -1.914 -1.593 -1.593 384 3HG1 VAL 53 2HG1 VAL 53 -1.110 -0.142 -0.142 385 1HG2 VAL 53 3HG2 VAL 53 -3.354 -2.722 -2.722 386 2HG2 VAL 53 2HG2 VAL 53 -1.726 -2.966 -2.966 387 3HG2 VAL 53 1HG2 VAL 53 -3.110 -2.922 -2.922 388 H TRP 54 H TRP 54 -3.079 1.663 1.663 389 HA TRP 54 HA TRP 54 -2.770 3.584 3.584 390 1HB TRP 54 2HB TRP 54 -1.379 3.713 3.713 391 2HB TRP 54 1HB TRP 54 -2.789 3.730 3.730 392 HD1 TRP 54 HD1 TRP 54 -4.307 5.946 5.946 393 HE1 TRP 54 HE1 TRP 54 -3.738 8.391 8.391 394 HE3 TRP 54 HE3 TRP 54 0.059 5.235 5.235 395 HZ2 TRP 54 HZ2 TRP 54 -1.697 9.844 9.844 396 HZ3 TRP 54 HZ3 TRP 54 1.293 7.167 7.167 397 HH2 TRP 54 HH2 TRP 54 0.424 9.470 9.470 398 H GLU 55 H GLU 55 -4.962 3.561 3.561 399 HA GLU 55 HA GLU 55 -6.644 5.666 5.666 400 1HB GLU 55 2HB GLU 55 -7.193 2.958 2.958 401 2HB GLU 55 1HB GLU 55 -8.412 4.231 4.231 402 1HG GLU 55 2HG GLU 55 -5.747 5.045 5.045 403 2HG GLU 55 1HG GLU 55 -6.656 3.944 3.944 404 H LEU 56 H LEU 56 -6.813 2.323 2.323 405 HA LEU 56 HA LEU 56 -9.115 2.878 2.878 406 1HB LEU 56 2HB LEU 56 -7.145 0.574 0.574 407 2HB LEU 56 1HB LEU 56 -8.809 0.572 0.572 408 HG LEU 56 HG LEU 56 -8.502 1.344 1.344 409 1HD1 LEU 56 2HD1 LEU 56 -6.759 -0.440 -0.440 410 2HD1 LEU 56 1HD1 LEU 56 -8.034 -1.523 -1.523 411 3HD1 LEU 56 3HD1 LEU 56 -8.062 -0.905 -0.905 412 1HD2 LEU 56 3HD2 LEU 56 -10.384 -0.026 -0.026 413 2HD2 LEU 56 2HD2 LEU 56 -10.721 0.942 0.942 414 3HD2 LEU 56 1HD2 LEU 56 -10.280 -0.759 -0.759 415 H SER 57 H SER 57 -5.704 3.269 3.269 416 HA SER 57 HA SER 57 -5.602 3.286 3.286 417 1HB SER 57 2HB SER 57 -3.660 2.370 2.370 418 2HB SER 57 1HB SER 57 -3.724 3.361 3.361 419 HG SER 57 HG SER 57 -2.199 4.372 4.372 420 H ASP 58 H ASP 58 -5.433 5.507 5.507 421 HA ASP 58 HA ASP 58 -4.838 7.846 7.846 422 1HB ASP 58 2HB ASP 58 -4.295 7.316 7.316 423 2HB ASP 58 1HB ASP 58 -5.959 7.813 7.813 424 H ILE 59 H ILE 59 -6.682 7.422 7.422 425 HA ILE 59 HA ILE 59 -9.370 7.312 7.312 426 HB ILE 59 HB ILE 59 -7.822 9.081 9.081 427 1HG1 ILE 59 2HG1 ILE 59 -7.357 6.644 6.644 428 2HG1 ILE 59 1HG1 ILE 59 -8.174 7.225 7.225 429 1HG2 ILE 59 3HG2 ILE 59 -10.193 9.801 9.801 430 2HG2 ILE 59 2HG2 ILE 59 -10.705 8.169 8.169 431 3HG2 ILE 59 1HG2 ILE 59 -9.844 9.162 9.162 432 1HD1 ILE 59 3HD1 ILE 59 -10.363 6.540 6.540 433 2HD1 ILE 59 2HD1 ILE 59 -9.364 5.683 5.683 434 3HD1 ILE 59 1HD1 ILE 59 -9.316 5.223 5.223 435 H ASP 60 H ASP 60 -7.283 10.110 10.110 436 HA ASP 60 HA ASP 60 -9.633 11.778 11.778 437 1HB ASP 60 2HB ASP 60 -6.697 12.503 12.503 438 2HB ASP 60 1HB ASP 60 -8.077 13.588 13.588 439 H HIS 61 H HIS 61 -6.931 10.048 10.048 440 HA HIS 61 HA HIS 61 -6.478 9.585 9.585 441 1HB HIS 61 2HB HIS 61 -9.096 10.974 10.974 442 2HB HIS 61 1HB HIS 61 -8.366 9.611 9.611 443 HD1 HIS 61 HD1 HIS 61 -8.170 7.342 7.342 444 HD2 HIS 61 HD2 HIS 61 -10.984 10.203 10.203 445 HE1 HIS 61 HE1 HIS 61 -9.805 6.169 6.169 446 H ASP 62 H ASP 62 -5.386 11.918 11.918 447 HA ASP 62 HA ASP 62 -5.696 13.972 13.972 448 1HB ASP 62 2HB ASP 62 -5.077 15.561 15.561 449 2HB ASP 62 1HB ASP 62 -6.306 14.494 14.494 450 H GLY 63 H GLY 63 -3.641 11.538 11.538 451 1HA GLY 63 2HA GLY 63 -1.572 11.144 11.144 452 2HA GLY 63 1HA GLY 63 -1.314 12.889 12.889 453 H MET 64 H MET 64 -2.451 12.246 12.246 454 HA MET 64 HA MET 64 0.278 11.712 11.712 455 1HB MET 64 2HB MET 64 -1.537 13.994 13.994 456 2HB MET 64 1HB MET 64 -1.043 13.375 13.375 457 1HG MET 64 2HG MET 64 1.305 13.476 13.476 458 2HG MET 64 1HG MET 64 0.823 14.075 14.075 459 1HE MET 64 3HE MET 64 2.872 15.494 15.494 460 2HE MET 64 2HE MET 64 2.629 16.897 16.897 461 3HE MET 64 1HE MET 64 2.635 15.278 15.278 462 H LEU 65 H LEU 65 0.244 10.684 10.684 463 HA LEU 65 HA LEU 65 -2.366 9.324 9.324 464 1HB LEU 65 2HB LEU 65 0.506 8.428 8.428 465 2HB LEU 65 1HB LEU 65 -0.602 7.569 7.569 466 HG LEU 65 HG LEU 65 -0.813 7.919 7.919 467 1HD1 LEU 65 1HD1 LEU 65 0.518 6.034 6.034 468 2HD1 LEU 65 3HD1 LEU 65 -1.095 5.344 5.344 469 3HD1 LEU 65 2HD1 LEU 65 -0.417 5.637 5.637 470 1HD2 LEU 65 2HD2 LEU 65 -2.873 7.115 7.115 471 2HD2 LEU 65 1HD2 LEU 65 -3.045 8.229 8.229 472 3HD2 LEU 65 3HD2 LEU 65 -2.951 6.493 6.493 473 H ASP 66 H ASP 66 -3.108 9.955 9.955 474 HA ASP 66 HA ASP 66 -1.331 11.253 11.253 475 1HB ASP 66 2HB ASP 66 -4.170 10.308 10.308 476 2HB ASP 66 1HB ASP 66 -3.360 11.704 11.704 477 H ARG 67 H ARG 67 -0.956 10.352 10.352 478 HA ARG 67 HA ARG 67 0.064 7.821 7.821 479 1HB ARG 67 2HB ARG 67 -0.576 8.036 8.036 480 2HB ARG 67 1HB ARG 67 0.220 9.455 9.455 481 1HG ARG 67 2HG ARG 67 -1.807 10.654 10.654 482 2HG ARG 67 1HG ARG 67 -2.780 9.195 9.195 483 1HD ARG 67 2HD ARG 67 -2.570 9.174 9.174 484 2HD ARG 67 1HD ARG 67 -0.936 9.869 9.869 485 HE ARG 67 HE ARG 67 -2.606 11.864 11.864 486 1HH1 ARG 67 1HH2 ARG 67 -1.867 10.233 10.233 487 2HH1 ARG 67 2HH2 ARG 67 -2.713 11.362 11.362 488 1HH2 ARG 67 2HH1 ARG 67 -3.901 13.245 13.245 489 2HH2 ARG 67 1HH1 ARG 67 -3.863 13.067 13.067 490 H ASP 68 H ASP 68 -3.387 8.613 8.613 491 HA ASP 68 HA ASP 68 -4.124 5.864 5.864 492 1HB ASP 68 2HB ASP 68 -5.712 8.303 8.303 493 2HB ASP 68 1HB ASP 68 -6.424 6.819 6.819 494 H GLU 69 H GLU 69 -3.948 7.841 7.841 495 HA GLU 69 HA GLU 69 -5.369 5.937 5.937 496 1HB GLU 69 2HB GLU 69 -3.440 8.155 8.155 497 2HB GLU 69 1HB GLU 69 -4.720 7.490 7.490 498 1HG GLU 69 2HG GLU 69 -6.414 8.325 8.325 499 2HG GLU 69 1HG GLU 69 -5.130 8.990 8.990 500 H PHE 70 H PHE 70 -1.993 6.834 6.834 501 HA PHE 70 HA PHE 70 -0.718 5.114 5.114 502 1HB PHE 70 2HB PHE 70 0.246 6.953 6.953 503 2HB PHE 70 1HB PHE 70 0.189 5.796 5.796 504 HD1 PHE 70 HD2 PHE 70 1.646 3.820 3.820 505 HD2 PHE 70 HD1 PHE 70 1.803 6.674 6.674 506 HE1 PHE 70 HE2 PHE 70 3.799 2.850 2.850 507 HE2 PHE 70 HE1 PHE 70 3.954 5.703 5.703 508 HZ PHE 70 HZ PHE 70 4.950 3.792 3.792 509 H ALA 71 H ALA 71 -2.146 4.542 4.542 510 HA ALA 71 HA ALA 71 -1.082 1.947 1.947 511 1HB ALA 71 2HB ALA 71 -2.471 3.596 3.596 512 2HB ALA 71 1HB ALA 71 -3.880 2.861 2.861 513 3HB ALA 71 3HB ALA 71 -2.793 1.874 1.874 514 H VAL 72 H VAL 72 -4.199 2.835 2.835 515 HA VAL 72 HA VAL 72 -5.129 0.258 0.258 516 HB VAL 72 HB VAL 72 -5.357 2.915 2.915 517 1HG1 VAL 72 1HG1 VAL 72 -6.793 0.290 0.290 518 2HG1 VAL 72 3HG1 VAL 72 -7.590 1.815 1.815 519 3HG1 VAL 72 2HG1 VAL 72 -6.108 1.352 1.352 520 1HG2 VAL 72 2HG2 VAL 72 -6.113 2.735 2.735 521 2HG2 VAL 72 1HG2 VAL 72 -7.367 3.240 3.240 522 3HG2 VAL 72 3HG2 VAL 72 -7.321 1.575 1.575 523 H ALA 73 H ALA 73 -2.614 2.175 2.175 524 HA ALA 73 HA ALA 73 -2.529 0.492 0.492 525 1HB ALA 73 3HB ALA 73 -1.641 3.062 3.062 526 2HB ALA 73 2HB ALA 73 -0.263 2.182 2.182 527 3HB ALA 73 1HB ALA 73 -1.708 2.446 2.446 528 H MET 74 H MET 74 -1.094 0.269 0.269 529 HA MET 74 HA MET 74 1.356 -1.036 -1.036 530 1HB MET 74 2HB MET 74 0.376 -0.991 -0.991 531 2HB MET 74 1HB MET 74 2.034 -1.067 -1.067 532 1HG MET 74 2HG MET 74 0.195 1.286 1.286 533 2HG MET 74 1HG MET 74 1.885 1.160 1.160 534 1HE MET 74 2HE MET 74 3.093 -0.276 -0.276 535 2HE MET 74 1HE MET 74 2.973 0.067 0.067 536 3HE MET 74 3HE MET 74 3.978 1.085 1.085 537 H PHE 75 H PHE 75 -1.596 -2.069 -2.069 538 HA PHE 75 HA PHE 75 -0.725 -4.857 -4.857 539 1HB PHE 75 2HB PHE 75 -2.618 -5.182 -5.182 540 2HB PHE 75 1HB PHE 75 -2.416 -3.446 -3.446 541 HD1 PHE 75 HD2 PHE 75 -3.631 -1.878 -1.878 542 HD2 PHE 75 HD1 PHE 75 -4.583 -6.039 -6.039 543 HE1 PHE 75 HE2 PHE 75 -5.827 -1.482 -1.482 544 HE2 PHE 75 HE1 PHE 75 -6.789 -5.648 -5.648 545 HZ PHE 75 HZ PHE 75 -7.411 -3.372 -3.372 546 H LEU 76 H LEU 76 -2.408 -2.679 -2.679 547 HA LEU 76 HA LEU 76 -3.680 -4.723 -4.723 548 1HB LEU 76 2HB LEU 76 -3.376 -1.802 -1.802 549 2HB LEU 76 1HB LEU 76 -3.445 -2.426 -2.426 550 HG LEU 76 HG LEU 76 -5.466 -2.904 -2.904 551 1HD1 LEU 76 3HD1 LEU 76 -5.237 -1.066 -1.066 552 2HD1 LEU 76 2HD1 LEU 76 -6.767 -1.942 -1.942 553 3HD1 LEU 76 1HD1 LEU 76 -6.260 -0.955 -0.955 554 1HD2 LEU 76 1HD2 LEU 76 -4.808 -4.429 -4.429 555 2HD2 LEU 76 3HD2 LEU 76 -5.891 -4.848 -4.848 556 3HD2 LEU 76 2HD2 LEU 76 -6.479 -3.864 -3.864 557 H VAL 77 H VAL 77 -0.532 -3.288 -3.288 558 HA VAL 77 HA VAL 77 0.283 -4.175 -4.175 559 HB VAL 77 HB VAL 77 1.648 -2.745 -2.745 560 1HG1 VAL 77 1HG1 VAL 77 2.686 -3.681 -3.681 561 2HG1 VAL 77 3HG1 VAL 77 3.339 -2.219 -2.219 562 3HG1 VAL 77 2HG1 VAL 77 3.464 -3.765 -3.765 563 1HG2 VAL 77 3HG2 VAL 77 -0.174 -1.595 -1.595 564 2HG2 VAL 77 2HG2 VAL 77 1.379 -0.771 -0.771 565 3HG2 VAL 77 1HG2 VAL 77 0.938 -1.691 -1.691 566 H TYR 78 H TYR 78 0.512 -5.182 -5.182 567 HA TYR 78 HA TYR 78 2.564 -7.217 -7.217 568 1HB TYR 78 2HB TYR 78 1.236 -6.014 -6.014 569 2HB TYR 78 1HB TYR 78 1.748 -7.695 -7.695 570 HD1 TYR 78 HD2 TYR 78 4.154 -8.033 -8.033 571 HD2 TYR 78 HD1 TYR 78 2.814 -4.528 -4.528 572 HE1 TYR 78 HE2 TYR 78 6.510 -7.287 -7.287 573 HE2 TYR 78 HE1 TYR 78 5.167 -3.785 -3.785 574 HH TYR 78 HH TYR 78 7.748 -5.196 -5.196 575 H CYS 79 H CYS 79 -0.889 -6.897 -6.897 576 HA CYS 79 HA CYS 79 -1.395 -9.778 -9.778 577 1HB CYS 79 2HB CYS 79 -3.016 -7.262 -7.262 578 2HB CYS 79 1HB CYS 79 -3.777 -8.847 -8.847 579 HG CYS 79 HG CYS 79 -3.827 -7.908 -7.908 580 H ALA 80 H ALA 80 -0.626 -7.587 -7.587 581 HA ALA 80 HA ALA 80 -1.979 -9.141 -9.141 582 1HB ALA 80 1HB ALA 80 -0.234 -6.672 -6.672 583 2HB ALA 80 3HB ALA 80 -0.696 -7.375 -7.375 584 3HB ALA 80 2HB ALA 80 -1.936 -6.770 -6.770 585 H LEU 81 H LEU 81 0.911 -9.204 -9.204 586 HA LEU 81 HA LEU 81 2.570 -10.384 -10.384 587 1HB LEU 81 2HB LEU 81 3.269 -10.236 -10.236 588 2HB LEU 81 1HB LEU 81 4.328 -10.049 -10.049 589 HG LEU 81 HG LEU 81 2.392 -8.073 -8.073 590 1HD1 LEU 81 1HD1 LEU 81 5.314 -8.152 -8.152 591 2HD1 LEU 81 3HD1 LEU 81 4.482 -6.614 -6.614 592 3HD1 LEU 81 2HD1 LEU 81 4.572 -7.764 -7.764 593 1HD2 LEU 81 2HD2 LEU 81 3.072 -8.482 -8.482 594 2HD2 LEU 81 1HD2 LEU 81 1.732 -7.588 -7.588 595 3HD2 LEU 81 3HD2 LEU 81 3.322 -6.834 -6.834 596 H GLU 82 H GLU 82 1.112 -11.300 -11.300 597 HA GLU 82 HA GLU 82 2.013 -14.034 -14.034 598 1HB GLU 82 2HB GLU 82 1.389 -13.051 -13.051 599 2HB GLU 82 1HB GLU 82 -0.145 -12.475 -12.475 600 1HG GLU 82 2HG GLU 82 -0.563 -14.421 -14.421 601 2HG GLU 82 1HG GLU 82 -0.866 -14.854 -14.854 602 H LYS 83 H LYS 83 -1.183 -12.577 -12.577 603 HA LYS 83 HA LYS 83 -1.700 -14.178 -14.178 604 1HB LYS 83 2HB LYS 83 -1.587 -16.044 -16.044 605 2HB LYS 83 1HB LYS 83 -2.706 -15.246 -15.246 606 1HG LYS 83 2HG LYS 83 -4.113 -15.248 -15.248 607 2HG LYS 83 1HG LYS 83 -3.264 -16.793 -16.793 608 1HD LYS 83 2HD LYS 83 -4.145 -17.416 -17.416 609 2HD LYS 83 1HD LYS 83 -4.892 -15.830 -15.830 610 1HE LYS 83 2HE LYS 83 -5.578 -17.569 -17.569 611 2HE LYS 83 1HE LYS 83 -6.415 -17.770 -17.770 612 1HZ LYS 83 3HZ LYS 83 -6.436 -15.139 -15.139 613 2HZ LYS 83 2HZ LYS 83 -6.437 -15.502 -15.502 614 3HZ LYS 83 1HZ LYS 83 -7.674 -16.096 -16.096 615 H GLU 84 H GLU 84 -2.981 -12.376 -12.376 616 HA GLU 84 HA GLU 84 -5.694 -12.106 -12.106 617 1HB GLU 84 2HB GLU 84 -3.890 -11.096 -11.096 618 2HB GLU 84 1HB GLU 84 -4.809 -9.747 -9.747 619 1HG GLU 84 2HG GLU 84 -6.476 -12.103 -12.103 620 2HG GLU 84 1HG GLU 84 -5.715 -11.516 -11.516 621 HA PRO 85 HA PRO 85 -4.735 -9.544 -9.544 622 1HB PRO 85 2HB PRO 85 -7.283 -9.590 -9.590 623 2HB PRO 85 1HB PRO 85 -6.130 -10.920 -10.920 624 1HG PRO 85 2HG PRO 85 -8.383 -10.680 -10.680 625 2HG PRO 85 1HG PRO 85 -7.827 -12.090 -12.090 626 1HD PRO 85 2HD PRO 85 -7.253 -11.694 -11.694 627 2HD PRO 85 1HD PRO 85 -6.202 -12.607 -12.607 628 H VAL 86 H VAL 86 -5.362 -7.326 -7.326 629 HA VAL 86 HA VAL 86 -6.839 -5.963 -5.963 630 HB VAL 86 HB VAL 86 -4.720 -5.068 -5.068 631 1HG1 VAL 86 2HG1 VAL 86 -6.698 -3.496 -3.496 632 2HG1 VAL 86 1HG1 VAL 86 -5.229 -3.246 -3.246 633 3HG1 VAL 86 3HG1 VAL 86 -5.229 -2.922 -2.922 634 1HG2 VAL 86 2HG2 VAL 86 -4.753 -5.589 -5.589 635 2HG2 VAL 86 1HG2 VAL 86 -3.783 -6.411 -6.411 636 3HG2 VAL 86 3HG2 VAL 86 -3.444 -4.729 -4.729 637 HA PRO 87 HA PRO 87 -9.708 -5.026 -5.026 638 1HB PRO 87 2HB PRO 87 -11.809 -4.443 -4.443 639 2HB PRO 87 1HB PRO 87 -11.323 -6.105 -6.105 640 1HG PRO 87 2HG PRO 87 -11.015 -4.597 -4.597 641 2HG PRO 87 1HG PRO 87 -10.971 -6.341 -6.341 642 1HD PRO 87 2HD PRO 87 -8.762 -4.546 -4.546 643 2HD PRO 87 1HD PRO 87 -8.718 -6.305 -6.305 644 H MET 88 H MET 88 -10.371 -2.991 -2.991 645 HA MET 88 HA MET 88 -9.142 -0.630 -0.630 646 1HB MET 88 2HB MET 88 -10.622 0.441 0.441 647 2HB MET 88 1HB MET 88 -9.233 -0.544 -0.544 648 1HG MET 88 2HG MET 88 -10.587 -2.369 -2.369 649 2HG MET 88 1HG MET 88 -11.964 -1.776 -1.776 650 1HE MET 88 2HE MET 88 -12.468 -2.916 -2.916 651 2HE MET 88 1HE MET 88 -13.599 -1.839 -1.839 652 3HE MET 88 3HE MET 88 -12.068 -2.273 -2.273 653 H SER 89 H SER 89 -11.844 -2.171 -2.171 654 HA SER 89 HA SER 89 -13.459 0.288 0.288 655 1HB SER 89 2HB SER 89 -13.963 -2.650 -2.650 656 2HB SER 89 1HB SER 89 -15.140 -1.398 -1.398 657 HG SER 89 HG SER 89 -15.573 -2.049 -2.049 658 H LEU 90 H LEU 90 -12.717 1.458 1.458 659 HA LEU 90 HA LEU 90 -11.442 0.726 0.726 660 1HB LEU 90 2HB LEU 90 -12.819 2.939 2.939 661 2HB LEU 90 1HB LEU 90 -13.592 2.629 2.629 662 HG LEU 90 HG LEU 90 -10.676 3.187 3.187 663 1HD1 LEU 90 1HD1 LEU 90 -12.910 4.509 4.509 664 2HD1 LEU 90 3HD1 LEU 90 -11.227 4.831 4.831 665 3HD1 LEU 90 2HD1 LEU 90 -11.822 5.212 5.212 666 1HD2 LEU 90 3HD2 LEU 90 -11.739 1.391 1.391 667 2HD2 LEU 90 2HD2 LEU 90 -10.079 1.970 1.970 668 3HD2 LEU 90 1HD2 LEU 90 -11.241 2.852 2.852 669 HA PRO 91 HA PRO 91 -14.723 -2.063 -2.063 670 1HB PRO 91 2HB PRO 91 -13.178 -3.239 -3.239 671 2HB PRO 91 1HB PRO 91 -13.143 -3.728 -3.728 672 1HG PRO 91 2HG PRO 91 -11.275 -1.948 -1.948 673 2HG PRO 91 1HG PRO 91 -10.917 -3.202 -3.202 674 1HD PRO 91 2HD PRO 91 -10.910 -0.574 -0.574 675 2HD PRO 91 1HD PRO 91 -11.402 -1.824 -1.824 676 HA PRO 92 HA PRO 92 -16.006 0.583 0.583 677 1HB PRO 92 2HB PRO 92 -18.095 -0.933 -0.933 678 2HB PRO 92 1HB PRO 92 -18.166 0.029 0.029 679 1HG PRO 92 2HG PRO 92 -17.709 -2.890 -2.890 680 2HG PRO 92 1HG PRO 92 -18.649 -2.036 -2.036 681 1HD PRO 92 2HD PRO 92 -16.155 -3.031 -3.031 682 2HD PRO 92 1HD PRO 92 -16.808 -1.615 -1.615 683 H ALA 93 H ALA 93 -14.641 -2.477 -2.477 684 HA ALA 93 HA ALA 93 -14.888 -2.464 -2.464 685 1HB ALA 93 1HB ALA 93 -14.814 -4.430 -4.430 686 2HB ALA 93 3HB ALA 93 -13.223 -4.521 -4.521 687 3HB ALA 93 2HB ALA 93 -14.679 -4.713 -4.713 688 H LEU 94 H LEU 94 -13.250 -0.641 -0.641 689 HA LEU 94 HA LEU 94 -10.751 -0.725 -0.725 690 1HB LEU 94 2HB LEU 94 -10.172 -2.149 -2.149 691 2HB LEU 94 1HB LEU 94 -11.126 -1.228 -1.228 692 HG LEU 94 HG LEU 94 -8.926 0.258 0.258 693 1HD1 LEU 94 1HD1 LEU 94 -8.434 -2.323 -2.323 694 2HD1 LEU 94 3HD1 LEU 94 -7.884 -1.229 -1.229 695 3HD1 LEU 94 2HD1 LEU 94 -7.242 -1.078 -1.078 696 1HD2 LEU 94 3HD2 LEU 94 -10.622 0.424 0.424 697 2HD2 LEU 94 2HD2 LEU 94 -9.356 1.560 1.560 698 3HD2 LEU 94 1HD2 LEU 94 -8.977 0.222 0.222 699 H VAL 95 H VAL 95 -13.247 1.067 1.067 700 HA VAL 95 HA VAL 95 -11.676 3.467 3.467 701 HB VAL 95 HB VAL 95 -13.672 2.616 2.616 702 1HG1 VAL 95 2HG1 VAL 95 -14.966 1.874 1.874 703 2HG1 VAL 95 1HG1 VAL 95 -15.165 3.559 3.559 704 3HG1 VAL 95 3HG1 VAL 95 -15.896 2.977 2.977 705 1HG2 VAL 95 3HG2 VAL 95 -12.913 5.019 5.019 706 2HG2 VAL 95 2HG2 VAL 95 -14.638 4.817 4.817 707 3HG2 VAL 95 1HG2 VAL 95 -14.087 5.347 5.347 708 HA PRO 96 HA PRO 96 -12.013 4.994 4.994 709 1HB PRO 96 2HB PRO 96 -11.564 7.649 7.649 710 2HB PRO 96 1HB PRO 96 -10.272 6.433 6.433 711 1HG PRO 96 2HG PRO 96 -11.704 7.511 7.511 712 2HG PRO 96 1HG PRO 96 -9.971 7.211 7.211 713 1HD PRO 96 2HD PRO 96 -11.511 5.499 5.499 714 2HD PRO 96 1HD PRO 96 -10.184 4.918 4.918 715 HA PRO 97 HA PRO 97 -16.240 6.196 6.196 716 1HB PRO 97 2HB PRO 97 -16.342 7.261 7.261 717 2HB PRO 97 1HB PRO 97 -16.261 5.517 5.517 718 1HG PRO 97 2HG PRO 97 -14.087 7.403 7.403 719 2HG PRO 97 1HG PRO 97 -14.387 5.744 5.744 720 1HD PRO 97 2HD PRO 97 -12.505 6.363 6.363 721 2HD PRO 97 1HD PRO 97 -13.379 4.814 4.814 722 H SER 98 H SER 98 -13.705 8.405 8.405 723 HA SER 98 HA SER 98 -15.364 10.816 10.816 724 1HB SER 98 2HB SER 98 -12.785 10.324 10.324 725 2HB SER 98 1HB SER 98 -12.629 10.796 10.796 726 HG SER 98 HG SER 98 -12.457 12.580 12.580 727 H LYS 99 H LYS 99 -14.358 8.695 8.695 728 HA LYS 99 HA LYS 99 -15.005 10.634 10.634 729 1HB LYS 99 2HB LYS 99 -13.367 8.357 8.357 730 2HB LYS 99 1HB LYS 99 -14.615 7.878 7.878 731 1HG LYS 99 2HG LYS 99 -12.654 8.883 8.883 732 2HG LYS 99 1HG LYS 99 -14.116 9.836 9.836 733 1HD LYS 99 2HD LYS 99 -12.028 11.165 11.165 734 2HD LYS 99 1HD LYS 99 -13.445 11.466 11.466 735 1HE LYS 99 2HE LYS 99 -12.525 10.412 10.412 736 2HE LYS 99 1HE LYS 99 -11.567 9.293 9.293 737 1HZ LYS 99 3HZ LYS 99 -10.600 11.673 11.673 738 2HZ LYS 99 2HZ LYS 99 -10.938 11.984 11.984 739 3HZ LYS 99 1HZ LYS 99 -9.898 10.712 10.712 740 H ARG 100 H ARG 100 -16.809 8.803 8.803 741 HA ARG 100 HA ARG 100 -18.962 8.429 8.429 742 1HB ARG 100 2HB ARG 100 -19.494 6.293 6.293 743 2HB ARG 100 1HB ARG 100 -17.803 6.301 6.301 744 1HG ARG 100 2HG ARG 100 -17.030 6.687 6.687 745 2HG ARG 100 1HG ARG 100 -18.633 7.158 7.158 746 1HD ARG 100 2HD ARG 100 -18.038 4.846 4.846 747 2HD ARG 100 1HD ARG 100 -19.441 4.840 4.840 748 HE ARG 100 HE ARG 100 -16.830 4.597 4.597 749 1HH1 ARG 100 1HH2 ARG 100 -17.362 2.220 2.220 750 2HH1 ARG 100 2HH2 ARG 100 -18.130 1.118 1.118 751 1HH2 ARG 100 2HH1 ARG 100 -18.779 3.536 3.536 752 2HH2 ARG 100 1HH1 ARG 100 -18.933 1.863 1.863
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