NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5762 | 1hx7 | 4269 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -2.591 14.944 3.901 2 HA MET 1 HA MET 1 -1.656 12.935 4.152 3 1HB MET 1 2HB MET 1 -0.006 14.290 5.814 4 2HB MET 1 1HB MET 1 -0.824 13.260 6.990 5 1HG MET 1 2HG MET 1 -0.341 11.369 5.212 6 2HG MET 1 1HG MET 1 0.922 12.480 4.681 7 1HE MET 1 1HE MET 1 -0.651 10.335 6.940 8 2HE MET 1 2HE MET 1 0.086 10.451 8.535 9 3HE MET 1 3HE MET 1 0.781 9.371 7.329 10 H ARG 2 H ARG 2 -2.929 11.179 4.550 11 HA ARG 2 HA ARG 2 -4.634 11.198 7.001 12 1HB ARG 2 2HB ARG 2 -5.729 10.101 4.423 13 2HB ARG 2 1HB ARG 2 -6.598 10.674 5.842 14 1HG ARG 2 2HG ARG 2 -5.355 12.969 5.121 15 2HG ARG 2 1HG ARG 2 -5.511 12.207 3.538 16 1HD ARG 2 2HD ARG 2 -7.492 13.574 3.989 17 2HD ARG 2 1HD ARG 2 -7.939 11.867 3.970 18 HE ARG 2 HE ARG 2 -8.501 12.053 6.245 19 1HH1 ARG 2 1HH2 ARG 2 -6.413 14.700 5.317 20 2HH1 ARG 2 2HH2 ARG 2 -6.575 15.494 6.843 21 1HH2 ARG 2 1HH1 ARG 2 -8.680 13.113 8.206 22 2HH2 ARG 2 2HH1 ARG 2 -7.845 14.609 8.463 23 H LEU 3 H LEU 3 -5.604 8.926 7.336 24 HA LEU 3 HA LEU 3 -3.460 6.925 6.775 25 1HB LEU 3 2HB LEU 3 -5.608 6.864 8.916 26 2HB LEU 3 1HB LEU 3 -4.251 5.751 8.761 27 HG LEU 3 HG LEU 3 -3.742 8.706 8.986 28 1HD1 LEU 3 1HD1 LEU 3 -4.681 6.830 11.110 29 2HD1 LEU 3 2HD1 LEU 3 -4.927 8.570 10.960 30 3HD1 LEU 3 3HD1 LEU 3 -3.380 7.944 11.527 31 1HD2 LEU 3 1HD2 LEU 3 -2.257 6.133 9.334 32 2HD2 LEU 3 2HD2 LEU 3 -1.764 7.512 10.318 33 3HD2 LEU 3 3HD2 LEU 3 -1.737 7.628 8.557 34 H PHE 4 H PHE 4 -4.331 6.367 4.676 35 HA PHE 4 HA PHE 4 -7.048 5.164 4.648 36 1HB PHE 4 2HB PHE 4 -5.153 6.182 2.571 37 2HB PHE 4 1HB PHE 4 -6.282 4.909 2.107 38 HD1 PHE 4 1HD PHE 4 -5.901 8.419 3.006 39 HD2 PHE 4 2HD PHE 4 -8.745 5.265 2.364 40 HE1 PHE 4 1HE PHE 4 -7.721 10.095 2.829 41 HE2 PHE 4 2HE PHE 4 -10.563 6.941 2.186 42 HZ PHE 4 HZ PHE 4 -10.052 9.356 2.419 43 H GLY 5 H GLY 5 -7.369 2.969 4.122 44 1HA GLY 5 2HA GLY 5 -4.922 1.280 3.867 45 2HA GLY 5 1HA GLY 5 -6.151 0.871 5.064 46 H TYR 6 H TYR 6 -5.235 -0.640 2.670 47 HA TYR 6 HA TYR 6 -7.792 -0.742 1.121 48 1HB TYR 6 2HB TYR 6 -5.715 -0.283 -0.187 49 2HB TYR 6 1HB TYR 6 -5.051 -1.814 0.378 50 HD1 TYR 6 1HD TYR 6 -5.080 -3.422 -1.288 51 HD2 TYR 6 2HD TYR 6 -8.415 -0.741 -0.918 52 HE1 TYR 6 1HE TYR 6 -6.237 -4.611 -3.130 53 HE2 TYR 6 2HE TYR 6 -9.574 -1.933 -2.759 54 HH TYR 6 HH TYR 6 -9.107 -4.748 -3.711 55 H ALA 7 H ALA 7 -8.961 -2.667 1.149 56 HA ALA 7 HA ALA 7 -7.691 -5.078 2.342 57 1HB ALA 7 1HB ALA 7 -9.943 -3.500 3.496 58 2HB ALA 7 2HB ALA 7 -8.702 -4.452 4.313 59 3HB ALA 7 3HB ALA 7 -10.079 -5.257 3.562 60 H ARG 8 H ARG 8 -9.144 -7.014 2.096 61 HA ARG 8 HA ARG 8 -11.323 -6.906 0.169 62 1HB ARG 8 2HB ARG 8 -9.310 -6.749 -1.320 63 2HB ARG 8 1HB ARG 8 -8.759 -8.293 -0.670 64 1HG ARG 8 2HG ARG 8 -10.427 -9.496 -1.728 65 2HG ARG 8 1HG ARG 8 -11.555 -8.140 -1.718 66 1HD ARG 8 2HD ARG 8 -10.845 -8.493 -4.000 67 2HD ARG 8 1HD ARG 8 -10.090 -7.005 -3.426 68 HE ARG 8 HE ARG 8 -8.192 -8.914 -2.858 69 1HH1 ARG 8 1HH2 ARG 8 -9.988 -8.084 -5.743 70 2HH1 ARG 8 2HH2 ARG 8 -8.725 -8.609 -6.800 71 1HH2 ARG 8 1HH1 ARG 8 -6.584 -9.579 -4.264 72 2HH2 ARG 8 2HH1 ARG 8 -6.819 -9.446 -5.975 73 H VAL 9 H VAL 9 -12.683 -8.427 0.959 74 HA VAL 9 HA VAL 9 -11.956 -10.347 2.929 75 HB VAL 9 HB VAL 9 -14.182 -11.349 2.481 76 1HG1 VAL 9 1HG1 VAL 9 -14.725 -8.440 2.284 77 2HG1 VAL 9 2HG1 VAL 9 -13.633 -8.937 3.576 78 3HG1 VAL 9 3HG1 VAL 9 -15.262 -9.606 3.493 79 1HG2 VAL 9 1HG2 VAL 9 -15.032 -11.238 0.407 80 2HG2 VAL 9 2HG2 VAL 9 -13.751 -10.139 -0.097 81 3HG2 VAL 9 3HG2 VAL 9 -15.238 -9.501 0.604 82 H SER 10 H SER 10 -11.037 -12.312 2.756 83 HA SER 10 HA SER 10 -10.845 -13.531 0.032 84 1HB SER 10 2HB SER 10 -8.722 -12.742 1.362 85 2HB SER 10 1HB SER 10 -8.978 -14.220 2.285 86 HG SER 10 HG SER 10 -8.551 -15.400 0.543 87 H THR 11 H THR 11 -11.713 -14.032 3.397 88 HA THR 11 HA THR 11 -12.368 -16.873 2.783 89 HB THR 11 HB THR 11 -10.885 -16.596 4.718 90 HG1 THR 11 1HG THR 11 -12.265 -17.608 6.255 91 1HG2 THR 11 1HG2 THR 11 -11.460 -14.314 5.356 92 2HG2 THR 11 2HG2 THR 11 -11.736 -15.382 6.732 93 3HG2 THR 11 3HG2 THR 11 -13.099 -14.812 5.772 94 H SER 12 H SER 12 -14.467 -17.662 3.354 95 HA SER 12 HA SER 12 -16.622 -15.835 2.865 96 1HB SER 12 2HB SER 12 -16.473 -18.686 3.830 97 2HB SER 12 1HB SER 12 -18.015 -17.838 3.768 98 HG SER 12 HG SER 12 -17.788 -17.595 1.591 99 H GLN 13 H GLN 13 -15.065 -16.971 5.797 100 HA GLN 13 HA GLN 13 -17.097 -16.254 7.672 101 1HB GLN 13 2HB GLN 13 -14.559 -17.369 7.813 102 2HB GLN 13 1HB GLN 13 -14.343 -15.810 8.607 103 1HG GLN 13 2HG GLN 13 -16.147 -16.275 10.153 104 2HG GLN 13 1HG GLN 13 -16.573 -17.750 9.283 105 1HE2 GLN 13 1HE2 GLN 13 -15.165 -19.622 9.532 106 2HE2 GLN 13 2HE2 GLN 13 -13.984 -19.688 10.749 107 H GLN 14 H GLN 14 -15.776 -14.415 9.404 108 HA GLN 14 HA GLN 14 -16.552 -11.914 8.167 109 1HB GLN 14 2HB GLN 14 -15.790 -10.903 10.300 110 2HB GLN 14 1HB GLN 14 -16.859 -12.280 10.569 111 1HG GLN 14 2HG GLN 14 -14.387 -13.493 10.478 112 2HG GLN 14 1HG GLN 14 -14.008 -11.952 11.248 113 1HE2 GLN 14 1HE2 GLN 14 -14.033 -14.609 12.568 114 2HE2 GLN 14 2HE2 GLN 14 -15.197 -14.516 13.801 115 H SER 15 H SER 15 -14.850 -12.503 6.349 116 HA SER 15 HA SER 15 -12.068 -12.059 6.853 117 1HB SER 15 2HB SER 15 -13.159 -13.093 4.774 118 2HB SER 15 1HB SER 15 -13.461 -11.441 4.259 119 HG SER 15 HG SER 15 -10.914 -12.430 5.023 120 H LEU 16 H LEU 16 -14.551 -9.844 5.492 121 HA LEU 16 HA LEU 16 -12.990 -7.554 5.160 122 1HB LEU 16 2HB LEU 16 -15.236 -7.462 4.404 123 2HB LEU 16 1HB LEU 16 -15.883 -7.888 5.979 124 HG LEU 16 HG LEU 16 -14.266 -5.412 5.950 125 1HD1 LEU 16 1HD1 LEU 16 -15.678 -5.551 3.724 126 2HD1 LEU 16 2HD1 LEU 16 -15.682 -4.066 4.675 127 3HD1 LEU 16 3HD1 LEU 16 -17.031 -5.196 4.796 128 1HD2 LEU 16 1HD2 LEU 16 -16.885 -6.378 7.089 129 2HD2 LEU 16 2HD2 LEU 16 -16.448 -4.670 7.156 130 3HD2 LEU 16 3HD2 LEU 16 -15.430 -5.874 7.948 131 H ASP 17 H ASP 17 -14.473 -8.713 8.183 132 HA ASP 17 HA ASP 17 -13.595 -6.466 9.773 133 1HB ASP 17 2HB ASP 17 -15.094 -8.872 10.170 134 2HB ASP 17 1HB ASP 17 -13.803 -8.848 11.369 135 H ILE 18 H ILE 18 -12.138 -9.478 8.725 136 HA ILE 18 HA ILE 18 -9.899 -9.403 10.564 137 HB ILE 18 HB ILE 18 -10.326 -10.868 7.937 138 1HG1 ILE 18 2HG1 ILE 18 -10.259 -12.102 10.677 139 2HG1 ILE 18 1HG1 ILE 18 -11.729 -11.301 10.126 140 1HG2 ILE 18 1HG2 ILE 18 -7.911 -10.586 8.452 141 2HG2 ILE 18 2HG2 ILE 18 -8.421 -12.268 8.600 142 3HG2 ILE 18 3HG2 ILE 18 -8.184 -11.287 10.047 143 1HD1 ILE 18 1HD1 ILE 18 -10.743 -12.980 8.005 144 2HD1 ILE 18 2HD1 ILE 18 -12.268 -13.103 8.881 145 3HD1 ILE 18 3HD1 ILE 18 -10.835 -13.927 9.489 146 H GLN 19 H GLN 19 -10.576 -8.002 7.399 147 HA GLN 19 HA GLN 19 -7.767 -7.275 6.954 148 1HB GLN 19 2HB GLN 19 -10.032 -5.986 5.448 149 2HB GLN 19 1HB GLN 19 -8.412 -6.376 4.888 150 1HG GLN 19 2HG GLN 19 -10.621 -8.365 5.467 151 2HG GLN 19 1HG GLN 19 -10.032 -7.905 3.879 152 1HE2 GLN 19 1HE2 GLN 19 -9.936 -10.562 5.511 153 2HE2 GLN 19 2HE2 GLN 19 -8.310 -11.034 5.384 154 H VAL 20 H VAL 20 -10.779 -5.476 7.712 155 HA VAL 20 HA VAL 20 -9.685 -2.894 7.973 156 HB VAL 20 HB VAL 20 -11.814 -4.141 9.744 157 1HG1 VAL 20 1HG1 VAL 20 -10.755 -1.394 9.379 158 2HG1 VAL 20 2HG1 VAL 20 -11.532 -2.124 10.783 159 3HG1 VAL 20 3HG1 VAL 20 -12.512 -1.540 9.437 160 1HG2 VAL 20 1HG2 VAL 20 -12.616 -2.409 7.496 161 2HG2 VAL 20 2HG2 VAL 20 -13.299 -3.942 8.032 162 3HG2 VAL 20 3HG2 VAL 20 -11.872 -3.929 6.998 163 H ARG 21 H ARG 21 -9.996 -5.371 10.545 164 HA ARG 21 HA ARG 21 -8.622 -3.911 12.575 165 1HB ARG 21 2HB ARG 21 -8.194 -6.159 13.592 166 2HB ARG 21 1HB ARG 21 -9.877 -5.935 13.119 167 1HG ARG 21 2HG ARG 21 -9.605 -7.938 12.071 168 2HG ARG 21 1HG ARG 21 -8.832 -6.969 10.818 169 1HD ARG 21 2HD ARG 21 -6.762 -7.771 11.306 170 2HD ARG 21 1HD ARG 21 -7.042 -7.699 13.046 171 HE ARG 21 HE ARG 21 -7.336 -10.041 11.400 172 1HH1 ARG 21 1HH2 ARG 21 -8.780 -8.358 14.105 173 2HH1 ARG 21 2HH2 ARG 21 -9.441 -9.806 14.781 174 1HH2 ARG 21 1HH1 ARG 21 -8.211 -11.889 12.311 175 2HH2 ARG 21 2HH1 ARG 21 -9.125 -11.783 13.779 176 H ALA 22 H ALA 22 -7.481 -5.788 9.839 177 HA ALA 22 HA ALA 22 -4.716 -5.950 10.683 178 1HB ALA 22 1HB ALA 22 -6.299 -6.640 8.310 179 2HB ALA 22 2HB ALA 22 -4.855 -7.418 8.955 180 3HB ALA 22 3HB ALA 22 -4.702 -6.016 7.897 181 H LEU 23 H LEU 23 -6.656 -3.642 8.831 182 HA LEU 23 HA LEU 23 -4.399 -1.973 8.067 183 1HB LEU 23 2HB LEU 23 -7.324 -1.188 8.274 184 2HB LEU 23 1HB LEU 23 -6.073 -0.368 7.340 185 HG LEU 23 HG LEU 23 -6.991 -3.215 6.865 186 1HD1 LEU 23 1HD1 LEU 23 -7.827 -2.076 4.685 187 2HD1 LEU 23 2HD1 LEU 23 -7.730 -0.580 5.612 188 3HD1 LEU 23 3HD1 LEU 23 -8.792 -1.882 6.148 189 1HD2 LEU 23 1HD2 LEU 23 -5.129 -1.375 5.342 190 2HD2 LEU 23 2HD2 LEU 23 -5.691 -2.939 4.754 191 3HD2 LEU 23 3HD2 LEU 23 -4.675 -2.852 6.192 192 H LYS 24 H LYS 24 -6.928 -1.787 10.584 193 HA LYS 24 HA LYS 24 -6.034 0.636 11.790 194 1HB LYS 24 2HB LYS 24 -7.946 -1.454 12.373 195 2HB LYS 24 1HB LYS 24 -7.073 -1.035 13.844 196 1HG LYS 24 2HG LYS 24 -8.682 0.599 13.950 197 2HG LYS 24 1HG LYS 24 -7.536 1.448 12.910 198 1HD LYS 24 2HD LYS 24 -9.660 1.629 11.827 199 2HD LYS 24 1HD LYS 24 -8.761 0.404 10.930 200 1HE LYS 24 2HE LYS 24 -11.126 -0.268 11.434 201 2HE LYS 24 1HE LYS 24 -9.927 -1.382 12.091 202 1HZ LYS 24 1HZ LYS 24 -11.830 -0.574 13.594 203 2HZ LYS 24 2HZ LYS 24 -10.928 0.861 13.718 204 3HZ LYS 24 3HZ LYS 24 -10.256 -0.615 14.226 205 H ASP 25 H ASP 25 -5.131 -2.752 12.393 206 HA ASP 25 HA ASP 25 -3.365 -2.274 14.583 207 1HB ASP 25 2HB ASP 25 -4.260 -4.509 13.485 208 2HB ASP 25 1HB ASP 25 -2.790 -4.380 12.529 209 H ALA 26 H ALA 26 -3.023 -2.102 11.102 210 HA ALA 26 HA ALA 26 -0.159 -1.720 11.046 211 1HB ALA 26 1HB ALA 26 -1.576 -2.512 9.121 212 2HB ALA 26 2HB ALA 26 -0.525 -1.154 8.712 213 3HB ALA 26 3HB ALA 26 -2.243 -0.884 9.009 214 H GLY 27 H GLY 27 -2.980 0.376 11.277 215 1HA GLY 27 2HA GLY 27 -2.500 2.525 12.567 216 2HA GLY 27 1HA GLY 27 -1.159 2.749 11.439 217 H VAL 28 H VAL 28 -4.461 1.597 10.846 218 HA VAL 28 HA VAL 28 -4.805 3.847 8.910 219 HB VAL 28 HB VAL 28 -5.920 1.023 8.835 220 1HG1 VAL 28 1HG1 VAL 28 -6.937 1.607 6.739 221 2HG1 VAL 28 2HG1 VAL 28 -6.143 3.180 6.722 222 3HG1 VAL 28 3HG1 VAL 28 -7.421 2.849 7.892 223 1HG2 VAL 28 1HG2 VAL 28 -3.755 0.749 8.094 224 2HG2 VAL 28 2HG2 VAL 28 -3.621 2.420 7.544 225 3HG2 VAL 28 3HG2 VAL 28 -4.515 1.244 6.582 226 H LYS 29 H LYS 29 -6.776 4.957 8.964 227 HA LYS 29 HA LYS 29 -8.261 4.820 11.475 228 1HB LYS 29 2HB LYS 29 -8.053 6.636 9.166 229 2HB LYS 29 1HB LYS 29 -9.687 6.512 9.814 230 1HG LYS 29 2HG LYS 29 -9.064 7.336 11.909 231 2HG LYS 29 1HG LYS 29 -7.374 6.878 11.696 232 1HD LYS 29 2HD LYS 29 -6.864 8.777 10.524 233 2HD LYS 29 1HD LYS 29 -8.446 8.848 9.748 234 1HE LYS 29 2HE LYS 29 -9.462 9.826 11.659 235 2HE LYS 29 1HE LYS 29 -8.094 9.413 12.693 236 1HZ LYS 29 1HZ LYS 29 -6.757 11.023 11.683 237 2HZ LYS 29 2HZ LYS 29 -8.255 11.796 11.903 238 3HZ LYS 29 3HZ LYS 29 -7.810 11.218 10.368 239 H ALA 30 H ALA 30 -10.300 3.947 11.787 240 HA ALA 30 HA ALA 30 -11.235 1.897 10.035 241 1HB ALA 30 1HB ALA 30 -13.125 3.285 11.900 242 2HB ALA 30 2HB ALA 30 -11.755 2.404 12.578 243 3HB ALA 30 3HB ALA 30 -12.938 1.561 11.577 244 H ASN 31 H ASN 31 -12.099 5.309 10.349 245 HA ASN 31 HA ASN 31 -14.389 5.250 8.626 246 1HB ASN 31 2HB ASN 31 -13.054 7.159 10.172 247 2HB ASN 31 1HB ASN 31 -12.857 7.740 8.522 248 1HD2 ASN 31 1HD2 ASN 31 -15.466 6.340 10.594 249 2HD2 ASN 31 2HD2 ASN 31 -16.683 7.361 10.002 250 H ARG 32 H ARG 32 -10.950 5.215 8.017 251 HA ARG 32 HA ARG 32 -11.475 5.634 5.105 252 1HB ARG 32 2HB ARG 32 -8.707 5.679 6.286 253 2HB ARG 32 1HB ARG 32 -9.310 6.486 4.840 254 1HG ARG 32 2HG ARG 32 -10.835 7.778 6.578 255 2HG ARG 32 1HG ARG 32 -9.577 7.300 7.717 256 1HD ARG 32 2HD ARG 32 -8.240 8.937 6.959 257 2HD ARG 32 1HD ARG 32 -8.324 8.285 5.324 258 HE ARG 32 HE ARG 32 -9.816 10.016 4.802 259 1HH1 ARG 32 1HH2 ARG 32 -9.834 9.455 8.255 260 2HH1 ARG 32 2HH2 ARG 32 -10.909 10.774 8.565 261 1HH2 ARG 32 1HH1 ARG 32 -11.206 11.712 5.249 262 2HH2 ARG 32 2HH1 ARG 32 -11.678 12.040 6.882 263 H ILE 33 H ILE 33 -12.247 3.219 5.714 264 HA ILE 33 HA ILE 33 -9.922 1.404 5.208 265 HB ILE 33 HB ILE 33 -12.602 0.788 6.496 266 1HG1 ILE 33 2HG1 ILE 33 -11.067 2.114 7.919 267 2HG1 ILE 33 1HG1 ILE 33 -11.278 0.481 8.546 268 1HG2 ILE 33 1HG2 ILE 33 -10.987 -1.329 7.067 269 2HG2 ILE 33 2HG2 ILE 33 -10.413 -0.914 5.452 270 3HG2 ILE 33 3HG2 ILE 33 -12.114 -1.298 5.711 271 1HD1 ILE 33 1HD1 ILE 33 -8.917 1.032 8.639 272 2HD1 ILE 33 2HD1 ILE 33 -8.923 1.519 6.945 273 3HD1 ILE 33 3HD1 ILE 33 -9.152 -0.175 7.375 274 H PHE 34 H PHE 34 -10.057 1.709 2.908 275 HA PHE 34 HA PHE 34 -12.582 1.114 1.527 276 1HB PHE 34 2HB PHE 34 -9.879 2.084 0.762 277 2HB PHE 34 1HB PHE 34 -10.743 1.153 -0.462 278 HD1 PHE 34 1HD PHE 34 -13.226 1.812 -0.895 279 HD2 PHE 34 2HD PHE 34 -10.375 4.360 1.061 280 HE1 PHE 34 1HE PHE 34 -14.640 3.783 -1.406 281 HE2 PHE 34 2HE PHE 34 -11.790 6.332 0.551 282 HZ PHE 34 HZ PHE 34 -13.923 6.042 -0.682 283 H THR 35 H THR 35 -12.842 -1.074 2.370 284 HA THR 35 HA THR 35 -10.870 -3.096 1.525 285 HB THR 35 HB THR 35 -11.935 -3.342 3.725 286 HG1 THR 35 1HG THR 35 -12.195 -5.440 3.481 287 1HG2 THR 35 1HG2 THR 35 -14.568 -4.154 2.831 288 2HG2 THR 35 2HG2 THR 35 -14.250 -2.484 2.368 289 3HG2 THR 35 3HG2 THR 35 -14.129 -2.968 4.059 290 H ASP 36 H ASP 36 -12.220 -5.216 0.695 291 HA ASP 36 HA ASP 36 -13.986 -4.325 -1.542 292 1HB ASP 36 2HB ASP 36 -11.483 -5.984 -1.643 293 2HB ASP 36 1HB ASP 36 -12.769 -6.276 -2.815 294 H LYS 37 H LYS 37 -15.915 -5.312 -1.171 295 HA LYS 37 HA LYS 37 -16.108 -7.725 0.442 296 1HB LYS 37 2HB LYS 37 -17.831 -5.713 0.009 297 2HB LYS 37 1HB LYS 37 -18.415 -6.838 -1.219 298 1HG LYS 37 2HG LYS 37 -19.613 -7.251 0.860 299 2HG LYS 37 1HG LYS 37 -18.550 -8.616 0.529 300 1HD LYS 37 2HD LYS 37 -17.495 -8.313 2.496 301 2HD LYS 37 1HD LYS 37 -17.077 -6.662 2.050 302 1HE LYS 37 2HE LYS 37 -18.377 -6.575 4.089 303 2HE LYS 37 1HE LYS 37 -19.387 -5.963 2.779 304 1HZ LYS 37 1HZ LYS 37 -20.154 -8.387 2.588 305 2HZ LYS 37 2HZ LYS 37 -20.763 -7.447 3.866 306 3HZ LYS 37 3HZ LYS 37 -19.518 -8.569 4.150 307 H ALA 38 H ALA 38 -14.510 -8.724 -1.254 308 HA ALA 38 HA ALA 38 -15.216 -9.559 -3.829 309 1HB ALA 38 1HB ALA 38 -13.070 -9.988 -2.334 310 2HB ALA 38 2HB ALA 38 -13.471 -11.086 -3.654 311 3HB ALA 38 3HB ALA 38 -13.878 -11.518 -1.993 312 H SER 39 H SER 39 -16.527 -10.677 -0.783 313 HA SER 39 HA SER 39 -17.657 -13.133 -1.889 314 1HB SER 39 2HB SER 39 -17.016 -12.468 0.620 315 2HB SER 39 1HB SER 39 -18.694 -11.934 0.643 316 HG SER 39 HG SER 39 -19.068 -13.979 0.988 317 H GLY 40 H GLY 40 -18.670 -11.785 -3.703 318 1HA GLY 40 2HA GLY 40 -21.457 -11.114 -2.908 319 2HA GLY 40 1HA GLY 40 -20.559 -9.967 -3.903 320 H SER 41 H SER 41 -22.226 -10.338 -5.567 321 HA SER 41 HA SER 41 -22.747 -12.883 -6.751 322 1HB SER 41 2HB SER 41 -22.708 -10.318 -8.333 323 2HB SER 41 1HB SER 41 -23.791 -11.697 -8.501 324 HG SER 41 HG SER 41 -23.788 -9.611 -6.637 325 H SER 42 H SER 42 -20.131 -10.585 -7.160 326 HA SER 42 HA SER 42 -18.583 -12.603 -8.642 327 1HB SER 42 2HB SER 42 -19.442 -9.963 -9.832 328 2HB SER 42 1HB SER 42 -17.977 -10.780 -10.371 329 HG SER 42 HG SER 42 -20.608 -11.365 -10.844 330 H SER 43 H SER 43 -16.363 -11.215 -9.286 331 HA SER 43 HA SER 43 -15.134 -10.644 -6.767 332 1HB SER 43 2HB SER 43 -13.458 -9.413 -8.506 333 2HB SER 43 1HB SER 43 -13.483 -11.157 -8.262 334 HG SER 43 HG SER 43 -13.892 -9.902 -10.491 335 H ASP 44 H ASP 44 -14.455 -8.606 -5.894 336 HA ASP 44 HA ASP 44 -15.849 -6.223 -7.030 337 1HB ASP 44 2HB ASP 44 -15.760 -7.167 -4.158 338 2HB ASP 44 1HB ASP 44 -16.180 -5.511 -4.601 339 H ARG 45 H ARG 45 -13.898 -5.428 -7.911 340 HA ARG 45 HA ARG 45 -11.706 -4.852 -5.971 341 1HB ARG 45 2HB ARG 45 -11.816 -5.384 -8.898 342 2HB ARG 45 1HB ARG 45 -10.635 -4.188 -8.365 343 1HG ARG 45 2HG ARG 45 -9.700 -5.799 -6.760 344 2HG ARG 45 1HG ARG 45 -10.899 -6.997 -7.251 345 1HD ARG 45 2HD ARG 45 -8.890 -7.511 -8.459 346 2HD ARG 45 1HD ARG 45 -9.997 -6.770 -9.615 347 HE ARG 45 HE ARG 45 -8.510 -4.954 -9.797 348 1HH1 ARG 45 1HH2 ARG 45 -7.792 -6.812 -6.922 349 2HH1 ARG 45 2HH2 ARG 45 -6.350 -5.918 -6.584 350 1HH2 ARG 45 1HH1 ARG 45 -6.637 -3.824 -9.321 351 2HH2 ARG 45 2HH1 ARG 45 -5.703 -4.244 -7.924 352 H LYS 46 H LYS 46 -13.703 -3.199 -5.468 353 HA LYS 46 HA LYS 46 -13.268 -0.719 -7.071 354 1HB LYS 46 2HB LYS 46 -15.445 -1.312 -5.046 355 2HB LYS 46 1HB LYS 46 -15.366 0.076 -6.132 356 1HG LYS 46 2HG LYS 46 -15.227 -1.765 -8.008 357 2HG LYS 46 1HG LYS 46 -15.952 -2.796 -6.774 358 1HD LYS 46 2HD LYS 46 -17.164 -0.102 -7.182 359 2HD LYS 46 1HD LYS 46 -17.448 -1.316 -8.432 360 1HE LYS 46 2HE LYS 46 -17.783 -2.186 -5.603 361 2HE LYS 46 1HE LYS 46 -19.017 -1.115 -6.263 362 1HZ LYS 46 1HZ LYS 46 -19.487 -3.501 -6.605 363 2HZ LYS 46 2HZ LYS 46 -18.098 -3.612 -7.576 364 3HZ LYS 46 3HZ LYS 46 -19.397 -2.625 -8.053 365 H GLY 47 H GLY 47 -12.497 -2.161 -4.040 366 1HA GLY 47 2HA GLY 47 -12.440 0.077 -2.307 367 2HA GLY 47 1HA GLY 47 -11.377 -1.322 -2.166 368 H LEU 48 H LEU 48 -10.242 -0.882 -4.877 369 HA LEU 48 HA LEU 48 -8.340 1.260 -4.094 370 1HB LEU 48 2HB LEU 48 -7.341 0.329 -6.492 371 2HB LEU 48 1HB LEU 48 -6.844 -0.238 -4.907 372 HG LEU 48 HG LEU 48 -8.671 -1.998 -5.084 373 1HD1 LEU 48 1HD1 LEU 48 -8.972 -0.580 -7.672 374 2HD1 LEU 48 2HD1 LEU 48 -10.161 -1.500 -6.753 375 3HD1 LEU 48 3HD1 LEU 48 -8.992 -2.340 -7.769 376 1HD2 LEU 48 1HD2 LEU 48 -6.250 -2.428 -5.521 377 2HD2 LEU 48 2HD2 LEU 48 -6.519 -2.047 -7.223 378 3HD2 LEU 48 3HD2 LEU 48 -7.304 -3.449 -6.498 379 H ASP 49 H ASP 49 -10.768 0.497 -6.507 380 HA ASP 49 HA ASP 49 -10.187 2.619 -8.348 381 1HB ASP 49 2HB ASP 49 -11.962 0.569 -8.346 382 2HB ASP 49 1HB ASP 49 -13.035 1.892 -7.892 383 H LEU 50 H LEU 50 -12.037 2.452 -5.347 384 HA LEU 50 HA LEU 50 -12.924 5.253 -5.571 385 1HB LEU 50 2HB LEU 50 -13.127 3.333 -3.226 386 2HB LEU 50 1HB LEU 50 -13.992 4.859 -3.406 387 HG LEU 50 HG LEU 50 -14.284 2.895 -5.623 388 1HD1 LEU 50 1HD1 LEU 50 -15.849 1.511 -4.466 389 2HD1 LEU 50 2HD1 LEU 50 -15.850 2.569 -3.056 390 3HD1 LEU 50 3HD1 LEU 50 -14.428 1.593 -3.425 391 1HD2 LEU 50 1HD2 LEU 50 -15.606 4.763 -5.977 392 2HD2 LEU 50 2HD2 LEU 50 -15.851 5.044 -4.254 393 3HD2 LEU 50 3HD2 LEU 50 -16.748 3.765 -5.075 394 H LEU 51 H LEU 51 -10.533 3.319 -3.817 395 HA LEU 51 HA LEU 51 -9.590 5.360 -2.046 396 1HB LEU 51 2HB LEU 51 -9.007 2.940 -1.848 397 2HB LEU 51 1HB LEU 51 -8.022 3.079 -3.303 398 HG LEU 51 HG LEU 51 -6.900 5.062 -1.960 399 1HD1 LEU 51 1HD1 LEU 51 -7.160 5.069 0.321 400 2HD1 LEU 51 2HD1 LEU 51 -7.421 3.327 0.398 401 3HD1 LEU 51 3HD1 LEU 51 -8.735 4.394 -0.095 402 1HD2 LEU 51 1HD2 LEU 51 -5.139 3.609 -1.517 403 2HD2 LEU 51 2HD2 LEU 51 -6.065 2.653 -2.672 404 3HD2 LEU 51 3HD2 LEU 51 -6.205 2.328 -0.945 405 H ARG 52 H ARG 52 -8.926 4.624 -5.423 406 HA ARG 52 HA ARG 52 -6.625 6.292 -5.764 407 1HB ARG 52 2HB ARG 52 -8.672 5.071 -7.554 408 2HB ARG 52 1HB ARG 52 -7.713 6.398 -8.208 409 1HG ARG 52 2HG ARG 52 -5.759 5.196 -8.159 410 2HG ARG 52 1HG ARG 52 -6.230 4.292 -6.719 411 1HD ARG 52 2HD ARG 52 -6.195 2.784 -8.639 412 2HD ARG 52 1HD ARG 52 -7.860 3.007 -8.103 413 HE ARG 52 HE ARG 52 -7.361 4.961 -10.083 414 1HH1 ARG 52 1HH2 ARG 52 -7.522 1.477 -9.810 415 2HH1 ARG 52 2HH2 ARG 52 -8.027 1.273 -11.452 416 1HH2 ARG 52 1HH1 ARG 52 -8.013 4.649 -12.201 417 2HH2 ARG 52 2HH1 ARG 52 -8.301 3.047 -12.792 418 H MET 53 H MET 53 -10.043 6.990 -5.543 419 HA MET 53 HA MET 53 -9.515 9.815 -6.308 420 1HB MET 53 2HB MET 53 -11.865 10.025 -6.748 421 2HB MET 53 1HB MET 53 -11.337 8.519 -7.487 422 1HG MET 53 2HG MET 53 -12.321 7.207 -5.745 423 2HG MET 53 1HG MET 53 -12.564 8.617 -4.716 424 1HE MET 53 1HE MET 53 -14.543 10.815 -5.874 425 2HE MET 53 2HE MET 53 -14.127 9.837 -4.469 426 3HE MET 53 3HE MET 53 -15.753 9.752 -5.141 427 H LYS 54 H LYS 54 -9.307 8.162 -3.544 428 HA LYS 54 HA LYS 54 -10.679 10.277 -1.941 429 1HB LYS 54 2HB LYS 54 -10.432 7.344 -1.602 430 2HB LYS 54 1HB LYS 54 -10.228 8.297 -0.131 431 1HG LYS 54 2HG LYS 54 -12.525 8.851 -1.998 432 2HG LYS 54 1HG LYS 54 -12.635 7.558 -0.806 433 1HD LYS 54 2HD LYS 54 -11.829 9.363 0.889 434 2HD LYS 54 1HD LYS 54 -12.332 10.517 -0.346 435 1HE LYS 54 2HE LYS 54 -14.589 9.773 -0.276 436 2HE LYS 54 1HE LYS 54 -14.160 8.310 0.612 437 1HZ LYS 54 1HZ LYS 54 -13.412 9.809 2.443 438 2HZ LYS 54 2HZ LYS 54 -15.086 9.822 2.154 439 3HZ LYS 54 3HZ LYS 54 -14.116 11.104 1.604 440 H VAL 55 H VAL 55 -7.651 8.638 -2.570 441 HA VAL 55 HA VAL 55 -6.231 9.381 -0.213 442 HB VAL 55 HB VAL 55 -4.182 9.195 -1.675 443 1HG1 VAL 55 1HG1 VAL 55 -5.772 7.252 -0.663 444 2HG1 VAL 55 2HG1 VAL 55 -4.285 6.914 -1.545 445 3HG1 VAL 55 3HG1 VAL 55 -5.839 6.831 -2.374 446 1HG2 VAL 55 1HG2 VAL 55 -5.465 10.033 -3.735 447 2HG2 VAL 55 2HG2 VAL 55 -6.142 8.409 -3.844 448 3HG2 VAL 55 3HG2 VAL 55 -4.401 8.649 -3.988 449 H GLU 56 H GLU 56 -5.246 11.265 0.402 450 HA GLU 56 HA GLU 56 -5.812 13.672 -1.233 451 1HB GLU 56 2HB GLU 56 -6.022 13.225 1.458 452 2HB GLU 56 1HB GLU 56 -4.426 13.967 1.371 453 1HG GLU 56 2HG GLU 56 -5.269 15.950 0.403 454 2HG GLU 56 1HG GLU 56 -6.783 15.179 -0.067 455 H GLU 57 H GLU 57 -3.873 15.388 -0.907 456 HA GLU 57 HA GLU 57 -1.638 14.328 -2.387 457 1HB GLU 57 2HB GLU 57 -2.558 16.771 -2.278 458 2HB GLU 57 1HB GLU 57 -1.526 16.918 -0.855 459 1HG GLU 57 2HG GLU 57 0.330 15.915 -2.380 460 2HG GLU 57 1HG GLU 57 -0.731 16.381 -3.711 461 H GLY 58 H GLY 58 -0.120 13.037 -1.494 462 1HA GLY 58 2HA GLY 58 1.671 12.477 -0.043 463 2HA GLY 58 1HA GLY 58 1.236 13.849 0.977 464 H ASP 59 H ASP 59 -1.189 11.523 0.006 465 HA ASP 59 HA ASP 59 -1.771 10.904 2.801 466 1HB ASP 59 2HB ASP 59 -3.284 10.996 0.526 467 2HB ASP 59 1HB ASP 59 -3.032 9.259 0.686 468 H VAL 60 H VAL 60 -1.672 8.744 3.724 469 HA VAL 60 HA VAL 60 0.427 7.056 2.421 470 HB VAL 60 HB VAL 60 0.443 5.948 4.794 471 1HG1 VAL 60 1HG1 VAL 60 2.355 7.121 3.975 472 2HG1 VAL 60 2HG1 VAL 60 2.025 7.769 5.582 473 3HG1 VAL 60 3HG1 VAL 60 1.555 8.683 4.149 474 1HG2 VAL 60 1HG2 VAL 60 -0.697 8.681 5.463 475 2HG2 VAL 60 2HG2 VAL 60 -0.155 7.465 6.619 476 3HG2 VAL 60 3HG2 VAL 60 -1.573 7.158 5.617 477 H ILE 61 H ILE 61 -0.279 5.249 1.462 478 HA ILE 61 HA ILE 61 -2.967 4.197 2.187 479 HB ILE 61 HB ILE 61 -1.214 3.568 -0.204 480 1HG1 ILE 61 2HG1 ILE 61 -3.697 5.295 -0.124 481 2HG1 ILE 61 1HG1 ILE 61 -2.079 5.970 0.050 482 1HG2 ILE 61 1HG2 ILE 61 -4.137 2.995 0.361 483 2HG2 ILE 61 2HG2 ILE 61 -2.842 1.798 0.350 484 3HG2 ILE 61 3HG2 ILE 61 -3.292 2.625 -1.143 485 1HD1 ILE 61 1HD1 ILE 61 -2.074 4.195 -2.204 486 2HD1 ILE 61 2HD1 ILE 61 -1.813 5.938 -2.182 487 3HD1 ILE 61 3HD1 ILE 61 -3.444 5.293 -2.357 488 H LEU 62 H LEU 62 -2.593 2.863 3.944 489 HA LEU 62 HA LEU 62 -0.320 1.029 4.035 490 1HB LEU 62 2HB LEU 62 -2.561 1.812 5.802 491 2HB LEU 62 1HB LEU 62 -2.033 0.139 5.975 492 HG LEU 62 HG LEU 62 -0.094 2.460 5.977 493 1HD1 LEU 62 1HD1 LEU 62 -1.551 1.149 8.286 494 2HD1 LEU 62 2HD1 LEU 62 -1.568 2.855 7.843 495 3HD1 LEU 62 3HD1 LEU 62 -0.097 2.126 8.487 496 1HD2 LEU 62 1HD2 LEU 62 0.019 -0.453 6.803 497 2HD2 LEU 62 2HD2 LEU 62 1.265 0.717 7.240 498 3HD2 LEU 62 3HD2 LEU 62 0.962 0.343 5.542 499 H VAL 63 H VAL 63 -0.306 -1.032 3.237 500 HA VAL 63 HA VAL 63 -2.933 -2.243 2.470 501 HB VAL 63 HB VAL 63 -0.295 -2.555 1.005 502 1HG1 VAL 63 1HG1 VAL 63 -3.017 -3.745 0.759 503 2HG1 VAL 63 2HG1 VAL 63 -1.444 -4.451 0.389 504 3HG1 VAL 63 3HG1 VAL 63 -2.191 -3.321 -0.741 505 1HG2 VAL 63 1HG2 VAL 63 -2.610 -0.679 0.686 506 2HG2 VAL 63 2HG2 VAL 63 -1.822 -1.291 -0.769 507 3HG2 VAL 63 3HG2 VAL 63 -0.890 -0.388 0.425 508 H LYS 64 H LYS 64 -3.193 -3.722 4.112 509 HA LYS 64 HA LYS 64 -0.875 -5.442 4.847 510 1HB LYS 64 2HB LYS 64 -2.172 -4.312 6.670 511 2HB LYS 64 1HB LYS 64 -3.595 -5.228 6.175 512 1HG LYS 64 2HG LYS 64 -2.750 -7.233 6.952 513 2HG LYS 64 1HG LYS 64 -1.074 -6.743 6.703 514 1HD LYS 64 2HD LYS 64 -1.263 -5.172 8.613 515 2HD LYS 64 1HD LYS 64 -2.917 -5.721 8.882 516 1HE LYS 64 2HE LYS 64 -2.152 -7.978 9.348 517 2HE LYS 64 1HE LYS 64 -0.498 -7.546 8.918 518 1HZ LYS 64 1HZ LYS 64 -0.499 -7.383 11.205 519 2HZ LYS 64 2HZ LYS 64 -2.070 -6.739 11.276 520 3HZ LYS 64 3HZ LYS 64 -0.776 -5.776 10.741 521 H LYS 65 H LYS 65 -1.520 -6.186 2.436 522 HA LYS 65 HA LYS 65 -3.766 -7.897 2.048 523 1HB LYS 65 2HB LYS 65 -2.394 -8.873 0.182 524 2HB LYS 65 1HB LYS 65 -2.483 -7.114 0.146 525 1HG LYS 65 2HG LYS 65 -0.221 -7.157 0.038 526 2HG LYS 65 1HG LYS 65 -0.266 -7.577 1.748 527 1HD LYS 65 2HD LYS 65 -0.601 -10.029 0.829 528 2HD LYS 65 1HD LYS 65 0.135 -9.360 -0.629 529 1HE LYS 65 2HE LYS 65 1.818 -8.365 1.259 530 2HE LYS 65 1HE LYS 65 1.344 -9.881 2.025 531 1HZ LYS 65 1HZ LYS 65 2.053 -11.097 0.134 532 2HZ LYS 65 2HZ LYS 65 3.315 -10.033 0.537 533 3HZ LYS 65 3HZ LYS 65 2.295 -9.688 -0.777 534 H LEU 66 H LEU 66 -4.194 -9.860 2.906 535 HA LEU 66 HA LEU 66 -1.921 -11.396 4.088 536 1HB LEU 66 2HB LEU 66 -3.890 -12.546 5.386 537 2HB LEU 66 1HB LEU 66 -3.292 -10.981 5.924 538 HG LEU 66 HG LEU 66 -5.118 -9.863 4.671 539 1HD1 LEU 66 1HD1 LEU 66 -5.883 -12.723 4.033 540 2HD1 LEU 66 2HD1 LEU 66 -5.512 -11.434 2.889 541 3HD1 LEU 66 3HD1 LEU 66 -6.990 -11.361 3.851 542 1HD2 LEU 66 1HD2 LEU 66 -5.276 -11.017 7.086 543 2HD2 LEU 66 2HD2 LEU 66 -6.524 -11.955 6.267 544 3HD2 LEU 66 3HD2 LEU 66 -6.657 -10.199 6.353 545 H ASP 67 H ASP 67 -2.389 -11.654 1.362 546 HA ASP 67 HA ASP 67 -2.699 -14.477 1.087 547 1HB ASP 67 2HB ASP 67 -4.818 -14.270 -0.443 548 2HB ASP 67 1HB ASP 67 -5.022 -14.398 1.299 549 H ARG 68 H ARG 68 -3.538 -11.593 -0.893 550 HA ARG 68 HA ARG 68 -1.184 -11.676 -2.490 551 1HB ARG 68 2HB ARG 68 -2.674 -13.861 -3.092 552 2HB ARG 68 1HB ARG 68 -3.393 -12.692 -4.201 553 1HG ARG 68 2HG ARG 68 -1.218 -12.183 -5.157 554 2HG ARG 68 1HG ARG 68 -0.415 -13.208 -3.968 555 1HD ARG 68 2HD ARG 68 -0.549 -14.688 -5.744 556 2HD ARG 68 1HD ARG 68 -2.074 -15.044 -4.934 557 HE ARG 68 HE ARG 68 -2.392 -12.924 -6.872 558 1HH1 ARG 68 1HH2 ARG 68 -2.106 -16.392 -6.525 559 2HH1 ARG 68 2HH2 ARG 68 -2.979 -16.710 -7.982 560 1HH2 ARG 68 1HH1 ARG 68 -3.516 -13.383 -8.753 561 2HH2 ARG 68 2HH1 ARG 68 -3.768 -15.028 -9.232 562 H LEU 69 H LEU 69 -1.091 -9.725 -3.514 563 HA LEU 69 HA LEU 69 -3.448 -7.980 -3.463 564 1HB LEU 69 2HB LEU 69 -0.537 -7.680 -3.937 565 2HB LEU 69 1HB LEU 69 -1.563 -6.568 -4.844 566 HG LEU 69 HG LEU 69 -1.998 -7.002 -1.895 567 1HD1 LEU 69 1HD1 LEU 69 0.430 -6.301 -2.552 568 2HD1 LEU 69 2HD1 LEU 69 -0.417 -5.362 -1.323 569 3HD1 LEU 69 3HD1 LEU 69 -0.308 -4.758 -2.977 570 1HD2 LEU 69 1HD2 LEU 69 -3.075 -4.849 -2.037 571 2HD2 LEU 69 2HD2 LEU 69 -3.676 -5.818 -3.383 572 3HD2 LEU 69 3HD2 LEU 69 -2.449 -4.584 -3.664 573 H GLY 70 H GLY 70 -1.614 -9.827 -5.829 574 1HA GLY 70 2HA GLY 70 -3.368 -10.418 -7.735 575 2HA GLY 70 1HA GLY 70 -3.216 -8.690 -8.054 576 H ARG 71 H ARG 71 -2.235 -11.421 -9.341 577 HA ARG 71 HA ARG 71 0.387 -10.283 -10.174 578 1HB ARG 71 2HB ARG 71 -0.096 -12.852 -8.780 579 2HB ARG 71 1HB ARG 71 0.949 -12.955 -10.197 580 1HG ARG 71 2HG ARG 71 1.438 -10.729 -8.263 581 2HG ARG 71 1HG ARG 71 1.937 -12.354 -7.795 582 1HD ARG 71 2HD ARG 71 3.684 -12.331 -9.227 583 2HD ARG 71 1HD ARG 71 2.686 -11.730 -10.553 584 HE ARG 71 HE ARG 71 3.065 -9.542 -8.843 585 1HH1 ARG 71 1HH2 ARG 71 5.080 -11.717 -10.700 586 2HH1 ARG 71 2HH2 ARG 71 6.313 -10.529 -10.941 587 1HH2 ARG 71 1HH1 ARG 71 4.686 -8.038 -9.180 588 2HH2 ARG 71 2HH1 ARG 71 6.094 -8.468 -10.091 589 H ASP 72 H ASP 72 0.021 -9.912 -12.302 590 HA ASP 72 HA ASP 72 -0.387 -12.063 -14.154 591 1HB ASP 72 2HB ASP 72 -2.785 -10.643 -13.161 592 2HB ASP 72 1HB ASP 72 -2.666 -10.739 -14.918 593 H THR 73 H THR 73 -1.662 -8.731 -14.217 594 HA THR 73 HA THR 73 0.333 -8.122 -16.365 595 HB THR 73 HB THR 73 -2.372 -6.832 -15.877 596 HG1 THR 73 1HG THR 73 -3.034 -8.561 -16.850 597 1HG2 THR 73 1HG2 THR 73 -1.910 -6.013 -18.265 598 2HG2 THR 73 2HG2 THR 73 -0.237 -6.498 -17.986 599 3HG2 THR 73 3HG2 THR 73 -0.976 -5.256 -16.976 600 H ALA 74 H ALA 74 -1.581 -6.535 -13.797 601 HA ALA 74 HA ALA 74 0.666 -5.352 -12.497 602 1HB ALA 74 1HB ALA 74 -0.038 -2.923 -13.227 603 2HB ALA 74 2HB ALA 74 -0.657 -3.739 -14.662 604 3HB ALA 74 3HB ALA 74 1.054 -3.854 -14.251 605 H ASP 75 H ASP 75 -1.792 -6.675 -11.822 606 HA ASP 75 HA ASP 75 -3.869 -4.934 -10.966 607 1HB ASP 75 2HB ASP 75 -2.917 -7.573 -9.814 608 2HB ASP 75 1HB ASP 75 -4.414 -6.770 -9.338 609 H MET 76 H MET 76 -0.861 -5.932 -9.376 610 HA MET 76 HA MET 76 -1.519 -4.205 -7.052 611 1HB MET 76 2HB MET 76 -0.641 -6.497 -6.640 612 2HB MET 76 1HB MET 76 0.843 -6.058 -7.482 613 1HG MET 76 2HG MET 76 0.128 -4.110 -5.410 614 2HG MET 76 1HG MET 76 0.343 -5.727 -4.753 615 1HE MET 76 1HE MET 76 1.926 -7.150 -5.061 616 2HE MET 76 2HE MET 76 3.537 -6.647 -4.554 617 3HE MET 76 3HE MET 76 3.239 -7.053 -6.242 618 H ILE 77 H ILE 77 -0.227 -3.650 -10.030 619 HA ILE 77 HA ILE 77 1.759 -1.706 -8.942 620 HB ILE 77 HB ILE 77 1.738 -3.120 -11.626 621 1HG1 ILE 77 2HG1 ILE 77 4.087 -3.755 -10.424 622 2HG1 ILE 77 1HG1 ILE 77 3.057 -3.586 -9.003 623 1HG2 ILE 77 1HG2 ILE 77 3.232 -0.789 -10.558 624 2HG2 ILE 77 2HG2 ILE 77 2.851 -1.213 -12.226 625 3HG2 ILE 77 3HG2 ILE 77 4.196 -2.000 -11.401 626 1HD1 ILE 77 1HD1 ILE 77 3.086 -5.916 -9.943 627 2HD1 ILE 77 2HD1 ILE 77 2.351 -5.282 -11.416 628 3HD1 ILE 77 3HD1 ILE 77 1.474 -5.200 -9.889 629 H GLN 78 H GLN 78 -1.081 -2.148 -10.942 630 HA GLN 78 HA GLN 78 -0.963 0.266 -12.459 631 1HB GLN 78 2HB GLN 78 -2.731 -1.821 -12.297 632 2HB GLN 78 1HB GLN 78 -3.646 -0.543 -11.500 633 1HG GLN 78 2HG GLN 78 -2.270 -0.135 -14.162 634 2HG GLN 78 1HG GLN 78 -3.935 -0.703 -14.033 635 1HE2 GLN 78 1HE2 GLN 78 -1.887 2.108 -13.844 636 2HE2 GLN 78 2HE2 GLN 78 -3.104 3.219 -13.440 637 H LEU 79 H LEU 79 -3.055 -0.282 -9.613 638 HA LEU 79 HA LEU 79 -3.535 2.458 -9.102 639 1HB LEU 79 2HB LEU 79 -4.388 1.787 -6.942 640 2HB LEU 79 1HB LEU 79 -4.838 0.553 -8.113 641 HG LEU 79 HG LEU 79 -2.315 0.245 -6.488 642 1HD1 LEU 79 1HD1 LEU 79 -4.627 0.677 -5.188 643 2HD1 LEU 79 2HD1 LEU 79 -3.418 -0.471 -4.616 644 3HD1 LEU 79 3HD1 LEU 79 -4.815 -1.041 -5.529 645 1HD2 LEU 79 1HD2 LEU 79 -2.415 -1.443 -8.095 646 2HD2 LEU 79 2HD2 LEU 79 -4.178 -1.496 -8.070 647 3HD2 LEU 79 3HD2 LEU 79 -3.256 -2.211 -6.747 648 H ILE 80 H ILE 80 -0.821 0.423 -8.184 649 HA ILE 80 HA ILE 80 0.312 2.158 -6.194 650 HB ILE 80 HB ILE 80 1.596 0.141 -8.071 651 1HG1 ILE 80 2HG1 ILE 80 0.021 -0.835 -6.463 652 2HG1 ILE 80 1HG1 ILE 80 1.672 -1.261 -6.025 653 1HG2 ILE 80 1HG2 ILE 80 3.545 0.209 -6.547 654 2HG2 ILE 80 2HG2 ILE 80 2.796 1.537 -5.659 655 3HG2 ILE 80 3HG2 ILE 80 3.290 1.765 -7.337 656 1HD1 ILE 80 1HD1 ILE 80 0.857 -0.599 -3.965 657 2HD1 ILE 80 2HD1 ILE 80 -0.224 0.606 -4.662 658 3HD1 ILE 80 3HD1 ILE 80 1.505 0.932 -4.552 659 H LYS 81 H LYS 81 0.544 2.042 -9.731 660 HA LYS 81 HA LYS 81 2.520 4.190 -9.863 661 1HB LYS 81 2HB LYS 81 1.293 2.330 -11.697 662 2HB LYS 81 1HB LYS 81 1.115 3.961 -12.340 663 1HG LYS 81 2HG LYS 81 3.231 3.651 -13.115 664 2HG LYS 81 1HG LYS 81 3.713 4.013 -11.458 665 1HD LYS 81 2HD LYS 81 4.798 1.983 -11.796 666 2HD LYS 81 1HD LYS 81 3.277 1.435 -11.093 667 1HE LYS 81 2HE LYS 81 2.512 0.564 -13.074 668 2HE LYS 81 1HE LYS 81 3.323 1.793 -14.047 669 1HZ LYS 81 1HZ LYS 81 4.895 -0.216 -12.571 670 2HZ LYS 81 2HZ LYS 81 5.322 0.675 -13.953 671 3HZ LYS 81 3HZ LYS 81 4.211 -0.605 -14.073 672 H GLU 82 H GLU 82 -0.993 3.888 -10.117 673 HA GLU 82 HA GLU 82 -1.541 6.564 -10.980 674 1HB GLU 82 2HB GLU 82 -3.109 4.457 -10.766 675 2HB GLU 82 1HB GLU 82 -3.389 5.071 -9.135 676 1HG GLU 82 2HG GLU 82 -5.088 6.041 -10.523 677 2HG GLU 82 1HG GLU 82 -3.917 7.322 -10.199 678 H PHE 83 H PHE 83 -0.887 5.138 -7.833 679 HA PHE 83 HA PHE 83 -1.624 7.548 -6.340 680 1HB PHE 83 2HB PHE 83 -0.242 4.959 -5.627 681 2HB PHE 83 1HB PHE 83 -0.406 6.274 -4.465 682 HD1 PHE 83 1HD PHE 83 -1.793 3.272 -5.215 683 HD2 PHE 83 2HD PHE 83 -3.000 7.374 -4.800 684 HE1 PHE 83 1HE PHE 83 -4.108 2.540 -4.710 685 HE2 PHE 83 2HE PHE 83 -5.315 6.637 -4.298 686 HZ PHE 83 HZ PHE 83 -5.868 4.224 -4.253 687 H ASP 84 H ASP 84 1.364 5.979 -7.444 688 HA ASP 84 HA ASP 84 3.238 7.700 -6.180 689 1HB ASP 84 2HB ASP 84 3.516 5.509 -7.649 690 2HB ASP 84 1HB ASP 84 3.757 6.677 -8.944 691 H ALA 85 H ALA 85 1.338 8.067 -9.113 692 HA ALA 85 HA ALA 85 2.733 10.497 -9.961 693 1HB ALA 85 1HB ALA 85 0.323 8.971 -10.913 694 2HB ALA 85 2HB ALA 85 1.814 9.343 -11.778 695 3HB ALA 85 3HB ALA 85 0.618 10.608 -11.502 696 H GLN 86 H GLN 86 -0.031 9.696 -7.957 697 HA GLN 86 HA GLN 86 -1.100 12.417 -8.012 698 1HB GLN 86 2HB GLN 86 -1.948 9.807 -7.052 699 2HB GLN 86 1HB GLN 86 -2.222 11.046 -5.831 700 1HG GLN 86 2HG GLN 86 -3.265 12.441 -7.726 701 2HG GLN 86 1HG GLN 86 -3.286 10.939 -8.653 702 1HE2 GLN 86 1HE2 GLN 86 -5.685 12.358 -7.753 703 2HE2 GLN 86 2HE2 GLN 86 -6.502 11.326 -6.684 704 H GLY 87 H GLY 87 1.649 11.248 -6.632 705 1HA GLY 87 2HA GLY 87 3.032 12.160 -4.968 706 2HA GLY 87 1HA GLY 87 1.828 13.431 -4.742 707 H VAL 88 H VAL 88 1.039 10.019 -4.540 708 HA VAL 88 HA VAL 88 0.482 10.396 -1.627 709 HB VAL 88 HB VAL 88 -0.764 8.441 -3.585 710 1HG1 VAL 88 1HG1 VAL 88 -0.701 7.648 -1.228 711 2HG1 VAL 88 2HG1 VAL 88 -2.348 7.991 -1.761 712 3HG1 VAL 88 3HG1 VAL 88 -1.500 9.137 -0.722 713 1HG2 VAL 88 1HG2 VAL 88 -1.216 11.092 -3.579 714 2HG2 VAL 88 2HG2 VAL 88 -2.304 10.629 -2.271 715 3HG2 VAL 88 3HG2 VAL 88 -2.503 9.922 -3.873 716 H SER 89 H SER 89 1.121 8.747 -0.188 717 HA SER 89 HA SER 89 3.299 7.012 -1.219 718 1HB SER 89 2HB SER 89 2.583 8.098 1.492 719 2HB SER 89 1HB SER 89 3.622 6.682 1.356 720 HG SER 89 HG SER 89 4.217 9.269 0.978 721 H ILE 90 H ILE 90 3.407 4.776 -0.252 722 HA ILE 90 HA ILE 90 0.751 3.677 0.506 723 HB ILE 90 HB ILE 90 2.481 2.517 -1.700 724 1HG1 ILE 90 2HG1 ILE 90 -0.138 4.055 -1.781 725 2HG1 ILE 90 1HG1 ILE 90 1.410 4.601 -2.416 726 1HG2 ILE 90 1HG2 ILE 90 0.626 0.958 -2.013 727 2HG2 ILE 90 2HG2 ILE 90 -0.303 1.762 -0.749 728 3HG2 ILE 90 3HG2 ILE 90 1.166 0.876 -0.335 729 1HD1 ILE 90 1HD1 ILE 90 1.408 2.866 -4.099 730 2HD1 ILE 90 2HD1 ILE 90 -0.153 3.680 -4.161 731 3HD1 ILE 90 3HD1 ILE 90 -0.015 2.110 -3.381 732 H ARG 91 H ARG 91 1.366 3.057 2.539 733 HA ARG 91 HA ARG 91 3.955 1.820 3.075 734 1HB ARG 91 2HB ARG 91 1.472 2.137 4.790 735 2HB ARG 91 1HB ARG 91 3.027 1.544 5.377 736 1HG ARG 91 2HG ARG 91 3.838 3.825 4.166 737 2HG ARG 91 1HG ARG 91 2.207 4.301 4.637 738 1HD ARG 91 2HD ARG 91 2.667 4.172 6.889 739 2HD ARG 91 1HD ARG 91 3.851 2.881 6.679 740 HE ARG 91 HE ARG 91 4.815 5.323 5.500 741 1HH1 ARG 91 1HH2 ARG 91 4.303 3.741 8.576 742 2HH1 ARG 91 2HH2 ARG 91 5.567 4.627 9.355 743 1HH2 ARG 91 1HH1 ARG 91 6.442 6.444 6.545 744 2HH2 ARG 91 2HH1 ARG 91 6.768 6.139 8.219 745 H PHE 92 H PHE 92 4.399 -0.346 3.127 746 HA PHE 92 HA PHE 92 2.114 -2.213 2.634 747 1HB PHE 92 2HB PHE 92 4.877 -2.032 1.588 748 2HB PHE 92 1HB PHE 92 4.370 -3.660 2.041 749 HD1 PHE 92 1HD PHE 92 2.702 -0.686 0.454 750 HD2 PHE 92 2HD PHE 92 3.554 -4.891 0.249 751 HE1 PHE 92 1HE PHE 92 1.370 -0.854 -1.632 752 HE2 PHE 92 2HE PHE 92 2.222 -5.059 -1.836 753 HZ PHE 92 HZ PHE 92 1.130 -3.041 -2.776 754 H ILE 93 H ILE 93 1.740 -3.811 4.110 755 HA ILE 93 HA ILE 93 2.897 -3.729 6.708 756 HB ILE 93 HB ILE 93 0.662 -4.680 6.071 757 1HG1 ILE 93 2HG1 ILE 93 1.832 -5.110 8.281 758 2HG1 ILE 93 1HG1 ILE 93 0.606 -6.287 7.833 759 1HG2 ILE 93 1HG2 ILE 93 0.630 -7.099 5.377 760 2HG2 ILE 93 2HG2 ILE 93 2.358 -6.966 5.049 761 3HG2 ILE 93 3HG2 ILE 93 1.209 -5.986 4.138 762 1HD1 ILE 93 1HD1 ILE 93 2.996 -7.301 6.748 763 2HD1 ILE 93 2HD1 ILE 93 2.159 -7.885 8.182 764 3HD1 ILE 93 3HD1 ILE 93 3.442 -6.686 8.337 765 H ASP 94 H ASP 94 3.872 -5.403 3.796 766 HA ASP 94 HA ASP 94 5.461 -7.495 4.740 767 1HB ASP 94 2HB ASP 94 5.043 -6.890 2.333 768 2HB ASP 94 1HB ASP 94 6.257 -5.620 2.500 769 H ASP 95 H ASP 95 6.312 -4.029 4.628 770 HA ASP 95 HA ASP 95 8.319 -4.448 6.709 771 1HB ASP 95 2HB ASP 95 9.284 -4.952 4.246 772 2HB ASP 95 1HB ASP 95 9.498 -3.201 4.278 773 H GLY 96 H GLY 96 5.903 -2.777 6.122 774 1HA GLY 96 2HA GLY 96 5.366 -0.625 7.019 775 2HA GLY 96 1HA GLY 96 7.077 -0.201 6.964 776 H ILE 97 H ILE 97 7.776 -0.612 4.370 777 HA ILE 97 HA ILE 97 5.841 0.989 2.773 778 HB ILE 97 HB ILE 97 7.813 2.187 1.789 779 1HG1 ILE 97 2HG1 ILE 97 9.375 1.114 4.141 780 2HG1 ILE 97 1HG1 ILE 97 9.392 0.286 2.583 781 1HG2 ILE 97 1HG2 ILE 97 8.136 3.681 3.696 782 2HG2 ILE 97 2HG2 ILE 97 7.575 2.428 4.804 783 3HG2 ILE 97 3HG2 ILE 97 6.455 3.150 3.649 784 1HD1 ILE 97 1HD1 ILE 97 11.257 1.766 2.523 785 2HD1 ILE 97 2HD1 ILE 97 10.319 3.094 3.206 786 3HD1 ILE 97 3HD1 ILE 97 10.008 2.553 1.557 787 H SER 98 H SER 98 6.658 0.950 0.352 788 HA SER 98 HA SER 98 7.638 -1.804 -0.280 789 1HB SER 98 2HB SER 98 5.051 -0.937 -0.682 790 2HB SER 98 1HB SER 98 5.793 -0.619 -2.247 791 HG SER 98 HG SER 98 5.634 -2.681 -2.569 792 H THR 99 H THR 99 6.772 1.110 -2.166 793 HA THR 99 HA THR 99 9.591 1.204 -3.141 794 HB THR 99 HB THR 99 8.209 0.112 -4.869 795 HG1 THR 99 1HG THR 99 9.552 1.223 -6.027 796 1HG2 THR 99 1HG2 THR 99 6.618 2.663 -5.094 797 2HG2 THR 99 2HG2 THR 99 6.088 1.353 -4.037 798 3HG2 THR 99 3HG2 THR 99 6.255 1.075 -5.771 799 H ASP 100 H ASP 100 8.848 2.820 -1.109 800 HA ASP 100 HA ASP 100 7.582 5.283 -1.786 801 1HB ASP 100 2HB ASP 100 8.099 4.512 0.543 802 2HB ASP 100 1HB ASP 100 9.800 4.864 0.237 803 H GLY 101 H GLY 101 8.408 5.901 -3.860 804 1HA GLY 101 2HA GLY 101 9.818 7.119 -5.277 805 2HA GLY 101 1HA GLY 101 10.602 7.726 -3.817 806 H GLU 102 H GLU 102 10.772 5.391 -6.385 807 HA GLU 102 HA GLU 102 13.323 4.323 -5.244 808 1HB GLU 102 2HB GLU 102 12.986 2.441 -6.872 809 2HB GLU 102 1HB GLU 102 11.705 2.557 -5.667 810 1HG GLU 102 2HG GLU 102 10.144 3.323 -7.193 811 2HG GLU 102 1HG GLU 102 11.366 4.054 -8.234 812 H MET 103 H MET 103 12.966 6.884 -6.711 813 HA MET 103 HA MET 103 14.286 6.341 -9.305 814 1HB MET 103 2HB MET 103 12.393 8.161 -8.668 815 2HB MET 103 1HB MET 103 13.839 9.133 -8.386 816 1HG MET 103 2HG MET 103 13.352 7.557 -10.926 817 2HG MET 103 1HG MET 103 12.949 9.265 -10.745 818 1HE MET 103 1HE MET 103 16.220 8.125 -12.857 819 2HE MET 103 2HE MET 103 14.650 7.402 -12.513 820 3HE MET 103 3HE MET 103 16.083 6.825 -11.665 821 H GLY 104 H GLY 104 14.853 8.650 -6.623 822 1HA GLY 104 2HA GLY 104 17.566 7.835 -6.176 823 2HA GLY 104 1HA GLY 104 17.542 9.233 -7.253 824 H LYS 105 H LYS 105 15.985 8.180 -4.202 825 HA LYS 105 HA LYS 105 16.447 10.948 -3.163 826 1HB LYS 105 2HB LYS 105 14.003 10.213 -3.678 827 2HB LYS 105 1HB LYS 105 14.168 9.204 -2.240 828 1HG LYS 105 2HG LYS 105 15.123 11.495 -1.225 829 2HG LYS 105 1HG LYS 105 14.072 12.175 -2.469 830 1HD LYS 105 2HD LYS 105 12.732 11.965 -0.490 831 2HD LYS 105 1HD LYS 105 12.230 10.668 -1.575 832 1HE LYS 105 2HE LYS 105 13.200 9.018 -0.281 833 2HE LYS 105 1HE LYS 105 14.442 10.098 0.352 834 1HZ LYS 105 1HZ LYS 105 12.499 9.366 1.865 835 2HZ LYS 105 2HZ LYS 105 11.618 10.558 1.035 836 3HZ LYS 105 3HZ LYS 105 13.017 10.981 1.904 Start of MODEL 2 1 1H MET 1 1HT MET 1 -2.792 14.850 3.556 2 HA MET 1 HA MET 1 -1.932 12.887 4.043 3 1HB MET 1 2HB MET 1 -0.429 14.648 5.436 4 2HB MET 1 1HB MET 1 -1.025 13.659 6.769 5 1HG MET 1 2HG MET 1 -0.351 11.688 5.071 6 2HG MET 1 1HG MET 1 0.785 12.918 4.518 7 1HE MET 1 1HE MET 1 1.589 10.023 7.596 8 2HE MET 1 2HE MET 1 1.082 10.017 5.909 9 3HE MET 1 3HE MET 1 -0.106 10.306 7.177 10 H ARG 2 H ARG 2 -3.270 11.209 4.464 11 HA ARG 2 HA ARG 2 -4.535 11.057 7.167 12 1HB ARG 2 2HB ARG 2 -5.811 10.826 4.461 13 2HB ARG 2 1HB ARG 2 -6.455 9.873 5.799 14 1HG ARG 2 2HG ARG 2 -7.689 11.796 6.107 15 2HG ARG 2 1HG ARG 2 -6.266 12.228 7.058 16 1HD ARG 2 2HD ARG 2 -5.494 13.722 5.485 17 2HD ARG 2 1HD ARG 2 -6.190 12.824 4.135 18 HE ARG 2 HE ARG 2 -7.511 14.929 5.657 19 1HH1 ARG 2 1HH2 ARG 2 -7.992 12.044 3.738 20 2HH1 ARG 2 2HH2 ARG 2 -9.596 12.494 3.281 21 1HH2 ARG 2 1HH1 ARG 2 -9.593 15.471 5.040 22 2HH2 ARG 2 2HH1 ARG 2 -10.495 14.413 4.007 23 H LEU 3 H LEU 3 -5.318 8.738 7.585 24 HA LEU 3 HA LEU 3 -3.239 6.857 6.568 25 1HB LEU 3 2HB LEU 3 -4.900 6.915 9.093 26 2HB LEU 3 1HB LEU 3 -4.001 5.481 8.596 27 HG LEU 3 HG LEU 3 -1.941 6.965 8.442 28 1HD1 LEU 3 1HD1 LEU 3 -2.306 9.006 10.099 29 2HD1 LEU 3 2HD1 LEU 3 -3.970 8.883 9.528 30 3HD1 LEU 3 3HD1 LEU 3 -2.662 9.169 8.379 31 1HD2 LEU 3 1HD2 LEU 3 -3.392 6.139 10.903 32 2HD2 LEU 3 2HD2 LEU 3 -2.040 7.249 11.137 33 3HD2 LEU 3 3HD2 LEU 3 -1.779 5.696 10.345 34 H PHE 4 H PHE 4 -4.413 6.390 4.596 35 HA PHE 4 HA PHE 4 -7.096 5.189 4.807 36 1HB PHE 4 2HB PHE 4 -5.219 5.858 2.552 37 2HB PHE 4 1HB PHE 4 -6.561 4.749 2.274 38 HD1 PHE 4 1HD PHE 4 -5.962 8.024 4.027 39 HD2 PHE 4 2HD PHE 4 -8.534 5.696 1.492 40 HE1 PHE 4 1HE PHE 4 -7.514 9.948 3.827 41 HE2 PHE 4 2HE PHE 4 -10.083 7.623 1.294 42 HZ PHE 4 HZ PHE 4 -9.573 9.749 2.464 43 H GLY 5 H GLY 5 -7.510 2.960 4.109 44 1HA GLY 5 2HA GLY 5 -5.135 1.178 4.029 45 2HA GLY 5 1HA GLY 5 -6.343 0.881 5.274 46 H TYR 6 H TYR 6 -5.390 -0.152 2.335 47 HA TYR 6 HA TYR 6 -8.087 -0.604 1.191 48 1HB TYR 6 2HB TYR 6 -6.161 0.044 -0.274 49 2HB TYR 6 1HB TYR 6 -5.354 -1.456 0.177 50 HD1 TYR 6 1HD TYR 6 -8.834 -0.485 -0.871 51 HD2 TYR 6 2HD TYR 6 -5.476 -3.101 -1.448 52 HE1 TYR 6 1HE TYR 6 -10.076 -1.689 -2.647 53 HE2 TYR 6 2HE TYR 6 -6.717 -4.306 -3.223 54 HH TYR 6 HH TYR 6 -10.089 -3.797 -3.779 55 H ALA 7 H ALA 7 -9.091 -2.632 1.236 56 HA ALA 7 HA ALA 7 -7.522 -4.967 2.186 57 1HB ALA 7 1HB ALA 7 -8.296 -4.295 4.293 58 2HB ALA 7 2HB ALA 7 -9.541 -5.435 3.781 59 3HB ALA 7 3HB ALA 7 -9.826 -3.700 3.647 60 H ARG 8 H ARG 8 -7.937 -6.463 0.644 61 HA ARG 8 HA ARG 8 -10.707 -6.628 -0.470 62 1HB ARG 8 2HB ARG 8 -8.117 -6.697 -1.713 63 2HB ARG 8 1HB ARG 8 -8.872 -8.275 -1.940 64 1HG ARG 8 2HG ARG 8 -10.994 -6.755 -2.515 65 2HG ARG 8 1HG ARG 8 -9.736 -5.596 -2.937 66 1HD ARG 8 2HD ARG 8 -9.698 -8.439 -3.954 67 2HD ARG 8 1HD ARG 8 -10.545 -7.150 -4.808 68 HE ARG 8 HE ARG 8 -7.776 -6.480 -4.173 69 1HH1 ARG 8 1HH2 ARG 8 -9.911 -8.034 -6.470 70 2HH1 ARG 8 2HH2 ARG 8 -8.808 -7.827 -7.785 71 1HH2 ARG 8 1HH1 ARG 8 -6.378 -6.242 -5.908 72 2HH2 ARG 8 2HH1 ARG 8 -6.832 -6.828 -7.473 73 H VAL 9 H VAL 9 -11.772 -8.050 0.862 74 HA VAL 9 HA VAL 9 -10.680 -10.115 2.409 75 HB VAL 9 HB VAL 9 -12.955 -11.119 2.396 76 1HG1 VAL 9 1HG1 VAL 9 -14.005 -9.298 3.498 77 2HG1 VAL 9 2HG1 VAL 9 -13.154 -8.108 2.511 78 3HG1 VAL 9 3HG1 VAL 9 -12.277 -9.036 3.730 79 1HG2 VAL 9 1HG2 VAL 9 -13.262 -10.464 -0.101 80 2HG2 VAL 9 2HG2 VAL 9 -13.757 -8.894 0.532 81 3HG2 VAL 9 3HG2 VAL 9 -14.663 -10.343 0.965 82 H SER 10 H SER 10 -10.966 -12.491 2.109 83 HA SER 10 HA SER 10 -10.732 -13.353 -0.734 84 1HB SER 10 2HB SER 10 -8.496 -13.077 0.733 85 2HB SER 10 1HB SER 10 -8.973 -14.681 1.285 86 HG SER 10 HG SER 10 -8.451 -15.451 -0.600 87 H THR 11 H THR 11 -11.088 -14.384 2.672 88 HA THR 11 HA THR 11 -12.332 -16.915 1.843 89 HB THR 11 HB THR 11 -10.888 -16.915 3.823 90 HG1 THR 11 1HG THR 11 -13.578 -17.173 4.664 91 1HG2 THR 11 1HG2 THR 11 -12.093 -15.710 5.886 92 2HG2 THR 11 2HG2 THR 11 -12.669 -14.654 4.597 93 3HG2 THR 11 3HG2 THR 11 -10.937 -14.864 4.856 94 H SER 12 H SER 12 -14.513 -17.502 2.761 95 HA SER 12 HA SER 12 -16.330 -15.134 2.626 96 1HB SER 12 2HB SER 12 -16.810 -18.051 1.967 97 2HB SER 12 1HB SER 12 -18.081 -16.833 2.000 98 HG SER 12 HG SER 12 -15.773 -16.920 0.350 99 H GLN 13 H GLN 13 -16.224 -14.653 4.882 100 HA GLN 13 HA GLN 13 -18.140 -15.993 6.527 101 1HB GLN 13 2HB GLN 13 -16.044 -17.587 6.464 102 2HB GLN 13 1HB GLN 13 -15.370 -16.422 7.604 103 1HG GLN 13 2HG GLN 13 -17.161 -16.771 9.157 104 2HG GLN 13 1HG GLN 13 -18.095 -17.685 7.973 105 1HE2 GLN 13 1HE2 GLN 13 -16.428 -18.236 10.708 106 2HE2 GLN 13 2HE2 GLN 13 -15.748 -19.754 10.368 107 H GLN 14 H GLN 14 -14.986 -14.334 6.898 108 HA GLN 14 HA GLN 14 -16.229 -11.902 7.863 109 1HB GLN 14 2HB GLN 14 -15.276 -12.012 10.171 110 2HB GLN 14 1HB GLN 14 -16.532 -13.219 9.897 111 1HG GLN 14 2HG GLN 14 -14.393 -14.664 9.132 112 2HG GLN 14 1HG GLN 14 -13.603 -13.585 10.284 113 1HE2 GLN 14 1HE2 GLN 14 -13.333 -15.123 11.998 114 2HE2 GLN 14 2HE2 GLN 14 -14.644 -15.835 12.808 115 H SER 15 H SER 15 -14.249 -12.763 5.895 116 HA SER 15 HA SER 15 -11.573 -12.227 6.701 117 1HB SER 15 2HB SER 15 -11.731 -11.302 4.075 118 2HB SER 15 1HB SER 15 -11.363 -12.948 4.568 119 HG SER 15 HG SER 15 -13.916 -11.842 3.997 120 H LEU 16 H LEU 16 -14.050 -10.034 5.368 121 HA LEU 16 HA LEU 16 -12.548 -7.665 5.238 122 1HB LEU 16 2HB LEU 16 -14.765 -7.667 4.346 123 2HB LEU 16 1HB LEU 16 -15.470 -8.156 5.881 124 HG LEU 16 HG LEU 16 -13.931 -5.623 5.952 125 1HD1 LEU 16 1HD1 LEU 16 -15.656 -4.302 4.871 126 2HD1 LEU 16 2HD1 LEU 16 -16.638 -5.740 4.589 127 3HD1 LEU 16 3HD1 LEU 16 -15.110 -5.531 3.731 128 1HD2 LEU 16 1HD2 LEU 16 -16.753 -6.232 6.859 129 2HD2 LEU 16 2HD2 LEU 16 -15.663 -4.988 7.472 130 3HD2 LEU 16 3HD2 LEU 16 -15.337 -6.688 7.807 131 H ASP 17 H ASP 17 -14.225 -9.054 8.061 132 HA ASP 17 HA ASP 17 -13.592 -6.910 9.864 133 1HB ASP 17 2HB ASP 17 -15.148 -9.137 10.019 134 2HB ASP 17 1HB ASP 17 -13.761 -9.653 10.977 135 H ILE 18 H ILE 18 -11.970 -9.982 9.117 136 HA ILE 18 HA ILE 18 -9.842 -9.680 11.015 137 HB ILE 18 HB ILE 18 -9.792 -11.203 8.389 138 1HG1 ILE 18 2HG1 ILE 18 -10.355 -12.545 10.990 139 2HG1 ILE 18 1HG1 ILE 18 -11.664 -11.588 10.300 140 1HG2 ILE 18 1HG2 ILE 18 -7.624 -10.788 9.706 141 2HG2 ILE 18 2HG2 ILE 18 -8.023 -12.471 9.358 142 3HG2 ILE 18 3HG2 ILE 18 -8.326 -11.808 10.963 143 1HD1 ILE 18 1HD1 ILE 18 -12.127 -13.288 8.897 144 2HD1 ILE 18 2HD1 ILE 18 -10.752 -14.201 9.514 145 3HD1 ILE 18 3HD1 ILE 18 -10.537 -13.090 8.163 146 H GLN 19 H GLN 19 -10.225 -8.598 7.650 147 HA GLN 19 HA GLN 19 -7.463 -7.745 7.390 148 1HB GLN 19 2HB GLN 19 -9.682 -6.541 5.753 149 2HB GLN 19 1HB GLN 19 -8.018 -6.879 5.284 150 1HG GLN 19 2HG GLN 19 -9.213 -9.367 6.035 151 2HG GLN 19 1HG GLN 19 -10.338 -8.543 4.958 152 1HE2 GLN 19 1HE2 GLN 19 -9.623 -8.094 2.762 153 2HE2 GLN 19 2HE2 GLN 19 -8.248 -8.845 2.109 154 H VAL 20 H VAL 20 -10.512 -5.941 8.000 155 HA VAL 20 HA VAL 20 -9.420 -3.346 8.193 156 HB VAL 20 HB VAL 20 -11.681 -4.627 9.770 157 1HG1 VAL 20 1HG1 VAL 20 -11.065 -2.719 11.057 158 2HG1 VAL 20 2HG1 VAL 20 -12.411 -2.184 10.051 159 3HG1 VAL 20 3HG1 VAL 20 -10.758 -1.752 9.615 160 1HG2 VAL 20 1HG2 VAL 20 -11.385 -3.321 7.119 161 2HG2 VAL 20 2HG2 VAL 20 -12.812 -2.861 8.046 162 3HG2 VAL 20 3HG2 VAL 20 -12.530 -4.551 7.643 163 H ARG 21 H ARG 21 -9.595 -5.886 10.671 164 HA ARG 21 HA ARG 21 -8.377 -4.372 12.794 165 1HB ARG 21 2HB ARG 21 -8.115 -7.368 12.388 166 2HB ARG 21 1HB ARG 21 -8.082 -6.482 13.911 167 1HG ARG 21 2HG ARG 21 -10.550 -5.981 12.421 168 2HG ARG 21 1HG ARG 21 -10.321 -7.696 12.751 169 1HD ARG 21 2HD ARG 21 -11.413 -6.979 14.687 170 2HD ARG 21 1HD ARG 21 -9.720 -6.871 15.169 171 HE ARG 21 HE ARG 21 -10.565 -4.380 14.014 172 1HH1 ARG 21 1HH2 ARG 21 -10.897 -6.334 16.895 173 2HH1 ARG 21 2HH2 ARG 21 -11.185 -4.965 17.911 174 1HH2 ARG 21 1HH1 ARG 21 -10.941 -2.637 15.366 175 2HH2 ARG 21 2HH1 ARG 21 -11.209 -2.894 17.057 176 H ALA 22 H ALA 22 -7.141 -6.279 10.105 177 HA ALA 22 HA ALA 22 -4.370 -6.254 10.930 178 1HB ALA 22 1HB ALA 22 -5.170 -6.372 8.039 179 2HB ALA 22 2HB ALA 22 -5.646 -7.698 9.099 180 3HB ALA 22 3HB ALA 22 -3.940 -7.303 8.894 181 H LEU 23 H LEU 23 -6.451 -4.119 9.045 182 HA LEU 23 HA LEU 23 -4.298 -2.390 8.127 183 1HB LEU 23 2HB LEU 23 -7.274 -1.830 8.369 184 2HB LEU 23 1HB LEU 23 -6.114 -0.866 7.457 185 HG LEU 23 HG LEU 23 -6.743 -3.785 6.925 186 1HD1 LEU 23 1HD1 LEU 23 -8.618 -2.817 6.031 187 2HD1 LEU 23 2HD1 LEU 23 -7.520 -2.455 4.699 188 3HD1 LEU 23 3HD1 LEU 23 -7.867 -1.225 5.914 189 1HD2 LEU 23 1HD2 LEU 23 -4.979 -1.747 5.540 190 2HD2 LEU 23 2HD2 LEU 23 -5.470 -3.267 4.793 191 3HD2 LEU 23 3HD2 LEU 23 -4.483 -3.281 6.256 192 H LYS 24 H LYS 24 -6.781 -2.161 10.693 193 HA LYS 24 HA LYS 24 -5.943 0.339 11.770 194 1HB LYS 24 2HB LYS 24 -7.761 -1.781 12.494 195 2HB LYS 24 1HB LYS 24 -6.839 -1.315 13.921 196 1HG LYS 24 2HG LYS 24 -8.728 0.130 13.899 197 2HG LYS 24 1HG LYS 24 -7.390 1.109 13.300 198 1HD LYS 24 2HD LYS 24 -9.143 1.538 11.770 199 2HD LYS 24 1HD LYS 24 -8.137 0.346 10.946 200 1HE LYS 24 2HE LYS 24 -10.583 -0.185 10.836 201 2HE LYS 24 1HE LYS 24 -9.630 -1.452 11.611 202 1HZ LYS 24 1HZ LYS 24 -11.791 -0.615 12.725 203 2HZ LYS 24 2HZ LYS 24 -10.827 0.684 13.242 204 3HZ LYS 24 3HZ LYS 24 -10.422 -0.905 13.683 205 H ASP 25 H ASP 25 -4.941 -2.984 12.561 206 HA ASP 25 HA ASP 25 -3.103 -2.336 14.637 207 1HB ASP 25 2HB ASP 25 -3.995 -4.645 13.677 208 2HB ASP 25 1HB ASP 25 -2.533 -4.548 12.707 209 H ALA 26 H ALA 26 -2.894 -2.315 11.143 210 HA ALA 26 HA ALA 26 -0.035 -1.919 10.965 211 1HB ALA 26 1HB ALA 26 -1.612 -2.794 9.152 212 2HB ALA 26 2HB ALA 26 -0.449 -1.574 8.633 213 3HB ALA 26 3HB ALA 26 -2.127 -1.122 8.931 214 H GLY 27 H GLY 27 -2.854 0.173 11.266 215 1HA GLY 27 2HA GLY 27 -2.292 2.383 12.415 216 2HA GLY 27 1HA GLY 27 -1.038 2.554 11.184 217 H VAL 28 H VAL 28 -4.370 1.381 10.884 218 HA VAL 28 HA VAL 28 -4.862 3.550 8.888 219 HB VAL 28 HB VAL 28 -5.870 0.687 8.995 220 1HG1 VAL 28 1HG1 VAL 28 -7.180 1.135 7.039 221 2HG1 VAL 28 2HG1 VAL 28 -6.502 2.754 6.876 222 3HG1 VAL 28 3HG1 VAL 28 -7.600 2.387 8.204 223 1HG2 VAL 28 1HG2 VAL 28 -4.779 0.944 6.576 224 2HG2 VAL 28 2HG2 VAL 28 -3.806 0.531 7.988 225 3HG2 VAL 28 3HG2 VAL 28 -3.848 2.194 7.401 226 H LYS 29 H LYS 29 -6.866 4.626 9.024 227 HA LYS 29 HA LYS 29 -8.187 4.480 11.652 228 1HB LYS 29 2HB LYS 29 -7.988 6.407 9.439 229 2HB LYS 29 1HB LYS 29 -9.613 6.303 10.117 230 1HG LYS 29 2HG LYS 29 -8.942 7.057 12.201 231 2HG LYS 29 1HG LYS 29 -7.295 6.454 12.006 232 1HD LYS 29 2HD LYS 29 -6.594 8.327 10.883 233 2HD LYS 29 1HD LYS 29 -8.162 8.579 10.114 234 1HE LYS 29 2HE LYS 29 -9.061 9.645 12.004 235 2HE LYS 29 1HE LYS 29 -7.842 8.966 13.083 236 1HZ LYS 29 1HZ LYS 29 -6.196 10.379 12.184 237 2HZ LYS 29 2HZ LYS 29 -7.544 11.364 12.498 238 3HZ LYS 29 3HZ LYS 29 -7.198 10.874 10.909 239 H ALA 30 H ALA 30 -10.301 3.754 11.992 240 HA ALA 30 HA ALA 30 -11.360 1.791 10.204 241 1HB ALA 30 1HB ALA 30 -12.947 1.422 11.818 242 2HB ALA 30 2HB ALA 30 -13.233 3.142 12.076 243 3HB ALA 30 3HB ALA 30 -11.823 2.365 12.794 244 H ASN 31 H ASN 31 -11.951 5.236 10.565 245 HA ASN 31 HA ASN 31 -14.298 5.339 8.895 246 1HB ASN 31 2HB ASN 31 -12.838 7.131 10.487 247 2HB ASN 31 1HB ASN 31 -12.679 7.764 8.852 248 1HD2 ASN 31 1HD2 ASN 31 -15.246 6.413 11.002 249 2HD2 ASN 31 2HD2 ASN 31 -16.452 7.484 10.476 250 H ARG 32 H ARG 32 -10.871 5.150 8.269 251 HA ARG 32 HA ARG 32 -11.369 5.711 5.374 252 1HB ARG 32 2HB ARG 32 -8.604 5.523 6.548 253 2HB ARG 32 1HB ARG 32 -9.154 6.440 5.148 254 1HG ARG 32 2HG ARG 32 -10.611 7.658 7.075 255 2HG ARG 32 1HG ARG 32 -9.216 7.164 8.033 256 1HD ARG 32 2HD ARG 32 -8.214 9.035 7.249 257 2HD ARG 32 1HD ARG 32 -8.054 8.164 5.725 258 HE ARG 32 HE ARG 32 -9.737 9.543 4.822 259 1HH1 ARG 32 1HH2 ARG 32 -9.775 9.726 8.315 260 2HH1 ARG 32 2HH2 ARG 32 -10.944 10.999 8.336 261 1HH2 ARG 32 1HH1 ARG 32 -11.249 11.192 4.897 262 2HH2 ARG 32 2HH1 ARG 32 -11.770 11.821 6.423 263 H ILE 33 H ILE 33 -12.296 3.334 5.906 264 HA ILE 33 HA ILE 33 -10.099 1.377 5.375 265 HB ILE 33 HB ILE 33 -12.862 0.929 6.546 266 1HG1 ILE 33 2HG1 ILE 33 -11.280 2.081 8.069 267 2HG1 ILE 33 1HG1 ILE 33 -11.655 0.453 8.630 268 1HG2 ILE 33 1HG2 ILE 33 -12.216 -1.371 6.860 269 2HG2 ILE 33 2HG2 ILE 33 -10.580 -1.048 6.291 270 3HG2 ILE 33 3HG2 ILE 33 -11.934 -0.975 5.166 271 1HD1 ILE 33 1HD1 ILE 33 -9.252 0.835 8.826 272 2HD1 ILE 33 2HD1 ILE 33 -9.162 1.312 7.130 273 3HD1 ILE 33 3HD1 ILE 33 -9.545 -0.355 7.557 274 H PHE 34 H PHE 34 -10.083 1.637 3.095 275 HA PHE 34 HA PHE 34 -12.581 1.391 1.573 276 1HB PHE 34 2HB PHE 34 -9.668 1.680 0.835 277 2HB PHE 34 1HB PHE 34 -10.880 1.291 -0.387 278 HD1 PHE 34 1HD PHE 34 -11.978 3.049 -1.458 279 HD2 PHE 34 2HD PHE 34 -10.337 3.678 2.460 280 HE1 PHE 34 1HE PHE 34 -12.641 5.435 -1.564 281 HE2 PHE 34 2HE PHE 34 -11.001 6.064 2.356 282 HZ PHE 34 HZ PHE 34 -12.153 6.943 0.343 283 H THR 35 H THR 35 -13.089 -0.733 2.597 284 HA THR 35 HA THR 35 -11.436 -3.029 1.803 285 HB THR 35 HB THR 35 -12.544 -3.058 3.992 286 HG1 THR 35 1HG THR 35 -13.781 -4.886 2.215 287 1HG2 THR 35 1HG2 THR 35 -15.258 -3.505 3.040 288 2HG2 THR 35 2HG2 THR 35 -14.686 -1.893 2.615 289 3HG2 THR 35 3HG2 THR 35 -14.684 -2.415 4.300 290 H ASP 36 H ASP 36 -11.990 -4.551 0.239 291 HA ASP 36 HA ASP 36 -14.313 -3.839 -1.509 292 1HB ASP 36 2HB ASP 36 -11.552 -4.877 -2.139 293 2HB ASP 36 1HB ASP 36 -12.877 -5.042 -3.290 294 H LYS 37 H LYS 37 -15.895 -5.306 -1.032 295 HA LYS 37 HA LYS 37 -15.402 -7.901 0.084 296 1HB LYS 37 2HB LYS 37 -17.876 -6.935 -1.377 297 2HB LYS 37 1HB LYS 37 -17.785 -8.310 -0.277 298 1HG LYS 37 2HG LYS 37 -17.118 -5.463 0.521 299 2HG LYS 37 1HG LYS 37 -18.688 -6.216 0.789 300 1HD LYS 37 2HD LYS 37 -16.484 -7.896 1.743 301 2HD LYS 37 1HD LYS 37 -16.502 -6.317 2.522 302 1HE LYS 37 2HE LYS 37 -18.366 -6.811 3.704 303 2HE LYS 37 1HE LYS 37 -19.180 -7.487 2.292 304 1HZ LYS 37 1HZ LYS 37 -18.893 -9.288 3.710 305 2HZ LYS 37 2HZ LYS 37 -17.325 -8.819 4.166 306 3HZ LYS 37 3HZ LYS 37 -17.609 -9.449 2.614 307 H ALA 38 H ALA 38 -13.796 -8.734 -1.428 308 HA ALA 38 HA ALA 38 -14.552 -9.322 -4.180 309 1HB ALA 38 1HB ALA 38 -12.154 -8.962 -3.153 310 2HB ALA 38 2HB ALA 38 -12.373 -10.178 -4.413 311 3HB ALA 38 3HB ALA 38 -12.282 -10.667 -2.721 312 H SER 39 H SER 39 -16.591 -10.354 -3.156 313 HA SER 39 HA SER 39 -16.752 -12.714 -1.721 314 1HB SER 39 2HB SER 39 -18.360 -11.927 -4.161 315 2HB SER 39 1HB SER 39 -18.796 -13.242 -3.074 316 HG SER 39 HG SER 39 -19.106 -10.564 -2.780 317 H GLY 40 H GLY 40 -15.563 -12.400 -5.018 318 1HA GLY 40 2HA GLY 40 -13.952 -14.462 -5.361 319 2HA GLY 40 1HA GLY 40 -15.469 -15.358 -5.294 320 H SER 41 H SER 41 -16.836 -15.330 -7.080 321 HA SER 41 HA SER 41 -15.737 -14.859 -9.650 322 1HB SER 41 2HB SER 41 -18.639 -14.992 -8.787 323 2HB SER 41 1HB SER 41 -18.094 -15.052 -10.460 324 HG SER 41 HG SER 41 -17.610 -17.071 -10.166 325 H SER 42 H SER 42 -18.121 -12.879 -7.856 326 HA SER 42 HA SER 42 -17.659 -10.657 -9.770 327 1HB SER 42 2HB SER 42 -19.714 -11.196 -7.630 328 2HB SER 42 1HB SER 42 -19.505 -9.580 -8.296 329 HG SER 42 HG SER 42 -20.240 -11.974 -9.610 330 H SER 43 H SER 43 -15.462 -10.230 -8.995 331 HA SER 43 HA SER 43 -14.790 -9.630 -6.294 332 1HB SER 43 2HB SER 43 -13.628 -8.906 -8.964 333 2HB SER 43 1HB SER 43 -13.022 -8.095 -7.523 334 HG SER 43 HG SER 43 -13.021 -10.847 -8.169 335 H ASP 44 H ASP 44 -14.680 -7.609 -5.184 336 HA ASP 44 HA ASP 44 -16.527 -5.556 -6.295 337 1HB ASP 44 2HB ASP 44 -15.770 -6.308 -3.477 338 2HB ASP 44 1HB ASP 44 -16.553 -4.771 -3.840 339 H ARG 45 H ARG 45 -14.313 -5.125 -7.543 340 HA ARG 45 HA ARG 45 -12.246 -3.709 -6.092 341 1HB ARG 45 2HB ARG 45 -12.239 -4.857 -8.486 342 2HB ARG 45 1HB ARG 45 -12.712 -3.241 -9.014 343 1HG ARG 45 2HG ARG 45 -10.750 -2.327 -7.721 344 2HG ARG 45 1HG ARG 45 -10.236 -3.991 -7.435 345 1HD ARG 45 2HD ARG 45 -10.828 -3.139 -10.246 346 2HD ARG 45 1HD ARG 45 -9.304 -2.637 -9.512 347 HE ARG 45 HE ARG 45 -9.839 -5.484 -9.187 348 1HH1 ARG 45 1HH2 ARG 45 -8.521 -3.030 -11.302 349 2HH1 ARG 45 2HH2 ARG 45 -7.485 -4.148 -12.117 350 1HH2 ARG 45 1HH1 ARG 45 -8.483 -6.896 -10.271 351 2HH2 ARG 45 2HH1 ARG 45 -7.462 -6.311 -11.542 352 H LYS 46 H LYS 46 -14.121 -2.396 -4.977 353 HA LYS 46 HA LYS 46 -14.758 0.035 -6.594 354 1HB LYS 46 2HB LYS 46 -16.026 -1.058 -4.062 355 2HB LYS 46 1HB LYS 46 -16.474 0.468 -4.825 356 1HG LYS 46 2HG LYS 46 -16.456 -2.028 -6.482 357 2HG LYS 46 1HG LYS 46 -17.812 -1.734 -5.392 358 1HD LYS 46 2HD LYS 46 -18.646 -0.553 -7.155 359 2HD LYS 46 1HD LYS 46 -17.576 0.715 -6.561 360 1HE LYS 46 2HE LYS 46 -15.836 -0.727 -8.081 361 2HE LYS 46 1HE LYS 46 -17.335 -0.983 -8.974 362 1HZ LYS 46 1HZ LYS 46 -16.489 0.971 -9.856 363 2HZ LYS 46 2HZ LYS 46 -15.969 1.557 -8.348 364 3HZ LYS 46 3HZ LYS 46 -17.625 1.530 -8.726 365 H GLY 47 H GLY 47 -13.692 -0.998 -3.346 366 1HA GLY 47 2HA GLY 47 -13.085 1.554 -2.288 367 2HA GLY 47 1HA GLY 47 -12.275 0.063 -1.803 368 H LEU 48 H LEU 48 -11.103 -0.609 -4.299 369 HA LEU 48 HA LEU 48 -8.748 1.073 -4.244 370 1HB LEU 48 2HB LEU 48 -8.626 -1.317 -4.804 371 2HB LEU 48 1HB LEU 48 -9.627 -1.054 -6.229 372 HG LEU 48 HG LEU 48 -7.115 0.554 -5.921 373 1HD1 LEU 48 1HD1 LEU 48 -5.880 -1.293 -7.084 374 2HD1 LEU 48 2HD1 LEU 48 -7.269 -2.343 -6.808 375 3HD1 LEU 48 3HD1 LEU 48 -6.356 -1.711 -5.438 376 1HD2 LEU 48 1HD2 LEU 48 -7.238 -0.134 -8.493 377 2HD2 LEU 48 2HD2 LEU 48 -8.238 1.172 -7.858 378 3HD2 LEU 48 3HD2 LEU 48 -8.928 -0.434 -8.093 379 H ASP 49 H ASP 49 -11.400 0.619 -6.596 380 HA ASP 49 HA ASP 49 -10.486 2.523 -8.514 381 1HB ASP 49 2HB ASP 49 -12.557 0.781 -8.438 382 2HB ASP 49 1HB ASP 49 -13.420 2.280 -8.092 383 H LEU 50 H LEU 50 -12.201 2.883 -5.479 384 HA LEU 50 HA LEU 50 -12.747 5.744 -5.975 385 1HB LEU 50 2HB LEU 50 -13.203 4.121 -3.451 386 2HB LEU 50 1HB LEU 50 -13.899 5.694 -3.837 387 HG LEU 50 HG LEU 50 -14.369 3.482 -5.788 388 1HD1 LEU 50 1HD1 LEU 50 -16.029 3.728 -3.274 389 2HD1 LEU 50 2HD1 LEU 50 -14.726 2.551 -3.432 390 3HD1 LEU 50 3HD1 LEU 50 -16.116 2.477 -4.515 391 1HD2 LEU 50 1HD2 LEU 50 -15.959 5.804 -4.668 392 2HD2 LEU 50 2HD2 LEU 50 -16.624 4.633 -5.807 393 3HD2 LEU 50 3HD2 LEU 50 -15.273 5.660 -6.286 394 H LEU 51 H LEU 51 -10.406 3.708 -4.350 395 HA LEU 51 HA LEU 51 -9.330 5.661 -2.545 396 1HB LEU 51 2HB LEU 51 -8.868 3.114 -2.637 397 2HB LEU 51 1HB LEU 51 -7.691 3.506 -3.890 398 HG LEU 51 HG LEU 51 -6.697 5.186 -2.249 399 1HD1 LEU 51 1HD1 LEU 51 -8.587 5.366 -0.717 400 2HD1 LEU 51 2HD1 LEU 51 -7.206 4.702 0.154 401 3HD1 LEU 51 3HD1 LEU 51 -8.509 3.637 -0.373 402 1HD2 LEU 51 1HD2 LEU 51 -5.687 3.271 -0.819 403 2HD2 LEU 51 2HD2 LEU 51 -5.457 3.197 -2.566 404 3HD2 LEU 51 3HD2 LEU 51 -6.691 2.201 -1.797 405 H ARG 52 H ARG 52 -8.826 4.965 -5.957 406 HA ARG 52 HA ARG 52 -6.491 6.590 -6.339 407 1HB ARG 52 2HB ARG 52 -8.694 5.767 -8.253 408 2HB ARG 52 1HB ARG 52 -7.209 6.578 -8.749 409 1HG ARG 52 2HG ARG 52 -5.951 4.697 -8.507 410 2HG ARG 52 1HG ARG 52 -6.780 4.217 -7.026 411 1HD ARG 52 2HD ARG 52 -7.227 2.598 -8.822 412 2HD ARG 52 1HD ARG 52 -8.709 3.438 -8.366 413 HE ARG 52 HE ARG 52 -8.756 4.424 -10.507 414 1HH1 ARG 52 1HH2 ARG 52 -5.602 3.046 -9.881 415 2HH1 ARG 52 2HH2 ARG 52 -5.059 3.304 -11.500 416 1HH2 ARG 52 1HH1 ARG 52 -8.008 4.739 -12.591 417 2HH2 ARG 52 2HH1 ARG 52 -6.401 4.253 -13.019 418 H MET 53 H MET 53 -9.925 7.301 -6.159 419 HA MET 53 HA MET 53 -9.326 10.157 -6.779 420 1HB MET 53 2HB MET 53 -11.605 10.418 -7.461 421 2HB MET 53 1HB MET 53 -11.038 8.924 -8.196 422 1HG MET 53 2HG MET 53 -12.894 7.977 -7.302 423 2HG MET 53 1HG MET 53 -12.023 8.036 -5.775 424 1HE MET 53 1HE MET 53 -15.420 9.077 -4.457 425 2HE MET 53 2HE MET 53 -13.988 8.066 -4.282 426 3HE MET 53 3HE MET 53 -15.049 7.846 -5.671 427 H LYS 54 H LYS 54 -9.151 8.516 -4.129 428 HA LYS 54 HA LYS 54 -10.801 10.415 -2.510 429 1HB LYS 54 2HB LYS 54 -10.329 7.481 -2.251 430 2HB LYS 54 1HB LYS 54 -10.433 8.419 -0.761 431 1HG LYS 54 2HG LYS 54 -12.495 8.755 -2.933 432 2HG LYS 54 1HG LYS 54 -12.634 7.453 -1.751 433 1HD LYS 54 2HD LYS 54 -12.998 8.901 0.013 434 2HD LYS 54 1HD LYS 54 -12.085 10.211 -0.739 435 1HE LYS 54 2HE LYS 54 -13.875 10.685 -2.273 436 2HE LYS 54 1HE LYS 54 -14.743 9.226 -1.799 437 1HZ LYS 54 1HZ LYS 54 -14.870 10.177 0.475 438 2HZ LYS 54 2HZ LYS 54 -15.725 11.069 -0.690 439 3HZ LYS 54 3HZ LYS 54 -14.220 11.622 -0.129 440 H VAL 55 H VAL 55 -7.716 8.687 -2.789 441 HA VAL 55 HA VAL 55 -6.482 9.541 -0.390 442 HB VAL 55 HB VAL 55 -4.335 9.235 -1.629 443 1HG1 VAL 55 1HG1 VAL 55 -4.854 6.837 -2.332 444 2HG1 VAL 55 2HG1 VAL 55 -6.537 7.184 -1.943 445 3HG1 VAL 55 3HG1 VAL 55 -5.306 7.266 -0.683 446 1HG2 VAL 55 1HG2 VAL 55 -4.344 8.697 -3.970 447 2HG2 VAL 55 2HG2 VAL 55 -5.301 10.167 -3.798 448 3HG2 VAL 55 3HG2 VAL 55 -6.104 8.611 -4.010 449 H GLU 56 H GLU 56 -5.355 11.407 0.189 450 HA GLU 56 HA GLU 56 -5.837 13.781 -1.537 451 1HB GLU 56 2HB GLU 56 -5.481 13.304 1.370 452 2HB GLU 56 1HB GLU 56 -4.753 14.786 0.751 453 1HG GLU 56 2HG GLU 56 -7.578 14.052 0.008 454 2HG GLU 56 1HG GLU 56 -7.236 14.863 1.536 455 H GLU 57 H GLU 57 -3.928 15.462 -1.319 456 HA GLU 57 HA GLU 57 -1.625 14.317 -2.585 457 1HB GLU 57 2HB GLU 57 -2.511 16.760 -2.657 458 2HB GLU 57 1HB GLU 57 -1.589 16.979 -1.168 459 1HG GLU 57 2HG GLU 57 0.301 15.762 -2.639 460 2HG GLU 57 1HG GLU 57 -0.617 16.511 -3.946 461 H GLY 58 H GLY 58 -0.128 13.084 -1.582 462 1HA GLY 58 2HA GLY 58 1.616 12.627 -0.035 463 2HA GLY 58 1HA GLY 58 1.072 13.991 0.941 464 H ASP 59 H ASP 59 -1.213 11.560 -0.125 465 HA ASP 59 HA ASP 59 -1.847 10.928 2.666 466 1HB ASP 59 2HB ASP 59 -3.421 11.120 0.516 467 2HB ASP 59 1HB ASP 59 -3.046 9.401 0.399 468 H VAL 60 H VAL 60 -1.777 8.755 3.543 469 HA VAL 60 HA VAL 60 0.307 7.056 2.228 470 HB VAL 60 HB VAL 60 0.371 5.983 4.618 471 1HG1 VAL 60 1HG1 VAL 60 1.472 8.740 4.015 472 2HG1 VAL 60 2HG1 VAL 60 2.238 7.194 3.649 473 3HG1 VAL 60 3HG1 VAL 60 2.035 7.702 5.326 474 1HG2 VAL 60 1HG2 VAL 60 -0.163 7.551 6.430 475 2HG2 VAL 60 2HG2 VAL 60 -1.609 7.205 5.481 476 3HG2 VAL 60 3HG2 VAL 60 -0.753 8.730 5.258 477 H ILE 61 H ILE 61 -0.555 5.361 1.194 478 HA ILE 61 HA ILE 61 -3.196 4.304 2.028 479 HB ILE 61 HB ILE 61 -1.456 3.722 -0.393 480 1HG1 ILE 61 2HG1 ILE 61 -4.120 5.053 -0.546 481 2HG1 ILE 61 1HG1 ILE 61 -2.781 6.009 0.088 482 1HG2 ILE 61 1HG2 ILE 61 -2.757 1.786 -0.194 483 2HG2 ILE 61 2HG2 ILE 61 -3.772 2.810 -1.209 484 3HG2 ILE 61 3HG2 ILE 61 -4.118 2.657 0.513 485 1HD1 ILE 61 1HD1 ILE 61 -1.986 4.517 -2.286 486 2HD1 ILE 61 2HD1 ILE 61 -1.876 6.246 -1.964 487 3HD1 ILE 61 3HD1 ILE 61 -3.367 5.564 -2.610 488 H LEU 62 H LEU 62 -2.888 2.937 3.768 489 HA LEU 62 HA LEU 62 -0.600 1.124 3.922 490 1HB LEU 62 2HB LEU 62 -2.914 1.852 5.631 491 2HB LEU 62 1HB LEU 62 -2.335 0.196 5.810 492 HG LEU 62 HG LEU 62 -0.476 2.582 5.876 493 1HD1 LEU 62 1HD1 LEU 62 -1.932 1.192 8.140 494 2HD1 LEU 62 2HD1 LEU 62 -2.005 2.901 7.713 495 3HD1 LEU 62 3HD1 LEU 62 -0.521 2.221 8.379 496 1HD2 LEU 62 1HD2 LEU 62 0.435 0.280 5.407 497 2HD2 LEU 62 2HD2 LEU 62 -0.194 -0.234 6.972 498 3HD2 LEU 62 3HD2 LEU 62 1.064 1.000 6.888 499 H VAL 63 H VAL 63 -0.528 -0.806 2.879 500 HA VAL 63 HA VAL 63 -3.113 -2.020 1.994 501 HB VAL 63 HB VAL 63 -0.328 -2.545 0.914 502 1HG1 VAL 63 1HG1 VAL 63 -3.090 -3.508 0.288 503 2HG1 VAL 63 2HG1 VAL 63 -1.560 -4.382 0.237 504 3HG1 VAL 63 3HG1 VAL 63 -1.977 -3.261 -1.059 505 1HG2 VAL 63 1HG2 VAL 63 -1.002 -0.214 0.497 506 2HG2 VAL 63 2HG2 VAL 63 -2.549 -0.766 -0.147 507 3HG2 VAL 63 3HG2 VAL 63 -1.053 -1.142 -1.001 508 H LYS 64 H LYS 64 -3.628 -4.054 2.680 509 HA LYS 64 HA LYS 64 -1.841 -5.295 4.692 510 1HB LYS 64 2HB LYS 64 -3.825 -6.763 5.132 511 2HB LYS 64 1HB LYS 64 -4.165 -5.047 5.350 512 1HG LYS 64 2HG LYS 64 -5.773 -5.116 3.776 513 2HG LYS 64 1HG LYS 64 -4.638 -5.758 2.591 514 1HD LYS 64 2HD LYS 64 -5.531 -7.717 4.617 515 2HD LYS 64 1HD LYS 64 -6.807 -7.131 3.549 516 1HE LYS 64 2HE LYS 64 -4.143 -8.132 2.518 517 2HE LYS 64 1HE LYS 64 -5.545 -9.182 2.719 518 1HZ LYS 64 1HZ LYS 64 -5.730 -6.662 1.192 519 2HZ LYS 64 2HZ LYS 64 -6.744 -8.023 1.124 520 3HZ LYS 64 3HZ LYS 64 -5.183 -8.090 0.459 521 H LYS 65 H LYS 65 -1.767 -7.776 4.605 522 HA LYS 65 HA LYS 65 -1.660 -8.770 1.792 523 1HB LYS 65 2HB LYS 65 0.628 -8.099 2.594 524 2HB LYS 65 1HB LYS 65 0.473 -9.290 3.886 525 1HG LYS 65 2HG LYS 65 -0.148 -10.881 1.832 526 2HG LYS 65 1HG LYS 65 0.840 -9.713 0.955 527 1HD LYS 65 2HD LYS 65 2.541 -10.038 2.902 528 2HD LYS 65 1HD LYS 65 1.636 -11.516 3.231 529 1HE LYS 65 2HE LYS 65 3.102 -12.407 1.714 530 2HE LYS 65 1HE LYS 65 1.945 -11.759 0.553 531 1HZ LYS 65 1HZ LYS 65 3.262 -9.910 0.150 532 2HZ LYS 65 2HZ LYS 65 4.399 -11.168 0.267 533 3HZ LYS 65 3HZ LYS 65 4.166 -10.105 1.572 534 H LEU 66 H LEU 66 -3.421 -10.152 2.002 535 HA LEU 66 HA LEU 66 -3.287 -12.155 4.219 536 1HB LEU 66 2HB LEU 66 -5.285 -10.690 4.287 537 2HB LEU 66 1HB LEU 66 -5.712 -11.209 2.658 538 HG LEU 66 HG LEU 66 -5.979 -13.518 3.427 539 1HD1 LEU 66 1HD1 LEU 66 -4.366 -13.761 5.155 540 2HD1 LEU 66 2HD1 LEU 66 -5.921 -13.868 5.980 541 3HD1 LEU 66 3HD1 LEU 66 -4.992 -12.370 6.043 542 1HD2 LEU 66 1HD2 LEU 66 -7.852 -11.830 3.667 543 2HD2 LEU 66 2HD2 LEU 66 -7.389 -11.658 5.359 544 3HD2 LEU 66 3HD2 LEU 66 -7.968 -13.211 4.758 545 H ASP 67 H ASP 67 -3.519 -11.697 0.747 546 HA ASP 67 HA ASP 67 -2.881 -14.536 0.365 547 1HB ASP 67 2HB ASP 67 -4.785 -14.798 -1.318 548 2HB ASP 67 1HB ASP 67 -5.249 -14.804 0.382 549 H ARG 68 H ARG 68 -3.910 -11.569 -1.382 550 HA ARG 68 HA ARG 68 -1.456 -11.260 -2.786 551 1HB ARG 68 2HB ARG 68 -2.211 -11.995 -5.068 552 2HB ARG 68 1HB ARG 68 -1.986 -13.330 -3.941 553 1HG ARG 68 2HG ARG 68 -4.639 -12.575 -3.530 554 2HG ARG 68 1HG ARG 68 -4.429 -12.415 -5.272 555 1HD ARG 68 2HD ARG 68 -3.589 -14.879 -3.725 556 2HD ARG 68 1HD ARG 68 -5.164 -14.714 -4.500 557 HE ARG 68 HE ARG 68 -2.634 -15.212 -5.853 558 1HH1 ARG 68 1HH2 ARG 68 -5.829 -13.819 -6.168 559 2HH1 ARG 68 2HH2 ARG 68 -5.841 -13.987 -7.889 560 1HH2 ARG 68 1HH1 ARG 68 -2.695 -15.410 -8.080 561 2HH2 ARG 68 2HH1 ARG 68 -4.088 -14.877 -8.962 562 H LEU 69 H LEU 69 -1.464 -9.215 -3.630 563 HA LEU 69 HA LEU 69 -3.806 -7.553 -3.365 564 1HB LEU 69 2HB LEU 69 -0.990 -7.222 -4.078 565 2HB LEU 69 1HB LEU 69 -2.035 -6.209 -5.072 566 HG LEU 69 HG LEU 69 -2.517 -6.319 -2.115 567 1HD1 LEU 69 1HD1 LEU 69 -0.676 -4.223 -3.168 568 2HD1 LEU 69 2HD1 LEU 69 0.006 -5.827 -2.892 569 3HD1 LEU 69 3HD1 LEU 69 -0.752 -4.950 -1.563 570 1HD2 LEU 69 1HD2 LEU 69 -3.642 -4.329 -2.494 571 2HD2 LEU 69 2HD2 LEU 69 -3.843 -5.086 -4.074 572 3HD2 LEU 69 3HD2 LEU 69 -2.591 -3.869 -3.832 573 H GLY 70 H GLY 70 -1.947 -8.365 -6.320 574 1HA GLY 70 2HA GLY 70 -4.261 -7.715 -8.001 575 2HA GLY 70 1HA GLY 70 -2.688 -8.272 -8.573 576 H ARG 71 H ARG 71 -4.014 -9.711 -9.983 577 HA ARG 71 HA ARG 71 -4.752 -12.203 -8.509 578 1HB ARG 71 2HB ARG 71 -6.499 -12.559 -10.322 579 2HB ARG 71 1HB ARG 71 -6.849 -11.258 -9.185 580 1HG ARG 71 2HG ARG 71 -5.820 -9.650 -10.839 581 2HG ARG 71 1HG ARG 71 -5.736 -10.984 -11.990 582 1HD ARG 71 2HD ARG 71 -7.796 -9.570 -12.253 583 2HD ARG 71 1HD ARG 71 -8.145 -11.267 -11.923 584 HE ARG 71 HE ARG 71 -8.024 -9.652 -9.501 585 1HH1 ARG 71 1HH2 ARG 71 -10.052 -10.700 -12.151 586 2HH1 ARG 71 2HH2 ARG 71 -11.513 -10.464 -11.258 587 1HH2 ARG 71 1HH1 ARG 71 -9.941 -9.363 -8.382 588 2HH2 ARG 71 2HH1 ARG 71 -11.453 -9.714 -9.148 589 H ASP 72 H ASP 72 -3.773 -10.816 -11.655 590 HA ASP 72 HA ASP 72 -1.807 -12.907 -12.047 591 1HB ASP 72 2HB ASP 72 -4.501 -13.181 -13.269 592 2HB ASP 72 1HB ASP 72 -3.132 -13.483 -14.341 593 H THR 73 H THR 73 -1.798 -10.051 -12.061 594 HA THR 73 HA THR 73 -0.400 -9.594 -14.550 595 HB THR 73 HB THR 73 -2.898 -9.377 -15.166 596 HG1 THR 73 1HG THR 73 -2.059 -8.265 -16.706 597 1HG2 THR 73 1HG2 THR 73 -4.197 -7.762 -14.237 598 2HG2 THR 73 2HG2 THR 73 -2.895 -6.575 -14.276 599 3HG2 THR 73 3HG2 THR 73 -2.992 -7.733 -12.949 600 H ALA 74 H ALA 74 -0.667 -6.718 -14.506 601 HA ALA 74 HA ALA 74 0.974 -6.165 -12.115 602 1HB ALA 74 1HB ALA 74 0.331 -4.656 -14.649 603 2HB ALA 74 2HB ALA 74 1.893 -5.276 -14.112 604 3HB ALA 74 3HB ALA 74 1.170 -3.887 -13.301 605 H ASP 75 H ASP 75 -1.647 -6.665 -11.355 606 HA ASP 75 HA ASP 75 -3.186 -4.187 -11.199 607 1HB ASP 75 2HB ASP 75 -3.476 -6.851 -9.780 608 2HB ASP 75 1HB ASP 75 -4.617 -5.517 -9.619 609 H MET 76 H MET 76 -1.192 -6.114 -8.965 610 HA MET 76 HA MET 76 -1.566 -4.488 -6.653 611 1HB MET 76 2HB MET 76 -0.511 -6.749 -6.639 612 2HB MET 76 1HB MET 76 0.903 -6.069 -7.439 613 1HG MET 76 2HG MET 76 0.020 -4.640 -4.995 614 2HG MET 76 1HG MET 76 0.648 -6.266 -4.732 615 1HE MET 76 1HE MET 76 2.688 -5.782 -3.445 616 2HE MET 76 2HE MET 76 4.183 -5.703 -4.372 617 3HE MET 76 3HE MET 76 2.986 -6.940 -4.747 618 H ILE 77 H ILE 77 0.549 -4.162 -9.448 619 HA ILE 77 HA ILE 77 1.917 -1.836 -8.237 620 HB ILE 77 HB ILE 77 2.281 -3.145 -10.951 621 1HG1 ILE 77 2HG1 ILE 77 4.532 -3.691 -9.557 622 2HG1 ILE 77 1HG1 ILE 77 3.374 -3.650 -8.228 623 1HG2 ILE 77 1HG2 ILE 77 3.724 -0.933 -9.486 624 2HG2 ILE 77 2HG2 ILE 77 3.124 -0.940 -11.144 625 3HG2 ILE 77 3HG2 ILE 77 4.539 -1.900 -10.714 626 1HD1 ILE 77 1HD1 ILE 77 2.620 -5.158 -10.698 627 2HD1 ILE 77 2HD1 ILE 77 2.190 -5.473 -9.016 628 3HD1 ILE 77 3HD1 ILE 77 3.798 -5.889 -9.607 629 H GLN 78 H GLN 78 -0.761 -2.512 -10.335 630 HA GLN 78 HA GLN 78 -0.785 -0.192 -11.972 631 1HB GLN 78 2HB GLN 78 -2.498 -2.348 -11.496 632 2HB GLN 78 1HB GLN 78 -3.448 -0.945 -11.014 633 1HG GLN 78 2HG GLN 78 -3.922 -0.982 -13.279 634 2HG GLN 78 1HG GLN 78 -2.489 0.046 -13.293 635 1HE2 GLN 78 1HE2 GLN 78 -0.476 -0.884 -14.088 636 2HE2 GLN 78 2HE2 GLN 78 -0.449 -2.358 -14.929 637 H LEU 79 H LEU 79 -2.891 -0.591 -9.098 638 HA LEU 79 HA LEU 79 -3.387 2.171 -8.808 639 1HB LEU 79 2HB LEU 79 -4.312 1.727 -6.642 640 2HB LEU 79 1HB LEU 79 -4.724 0.382 -7.686 641 HG LEU 79 HG LEU 79 -4.127 -0.528 -5.563 642 1HD1 LEU 79 1HD1 LEU 79 -2.238 -1.963 -6.062 643 2HD1 LEU 79 2HD1 LEU 79 -1.704 -0.869 -7.331 644 3HD1 LEU 79 3HD1 LEU 79 -3.217 -1.746 -7.510 645 1HD2 LEU 79 1HD2 LEU 79 -2.588 1.683 -5.184 646 2HD2 LEU 79 2HD2 LEU 79 -1.349 0.459 -5.455 647 3HD2 LEU 79 3HD2 LEU 79 -2.528 0.248 -4.161 648 H ILE 80 H ILE 80 -0.509 0.427 -7.996 649 HA ILE 80 HA ILE 80 0.465 2.331 -6.029 650 HB ILE 80 HB ILE 80 1.858 0.213 -7.708 651 1HG1 ILE 80 2HG1 ILE 80 1.180 0.365 -4.753 652 2HG1 ILE 80 1HG1 ILE 80 0.286 -0.569 -5.948 653 1HG2 ILE 80 1HG2 ILE 80 3.012 1.838 -5.416 654 2HG2 ILE 80 2HG2 ILE 80 3.420 2.077 -7.116 655 3HG2 ILE 80 3HG2 ILE 80 3.836 0.563 -6.313 656 1HD1 ILE 80 1HD1 ILE 80 1.701 -2.226 -5.198 657 2HD1 ILE 80 2HD1 ILE 80 2.973 -1.086 -4.763 658 3HD1 ILE 80 3HD1 ILE 80 2.734 -1.538 -6.449 659 H LYS 81 H LYS 81 0.890 1.812 -9.520 660 HA LYS 81 HA LYS 81 2.682 4.035 -9.927 661 1HB LYS 81 2HB LYS 81 0.752 2.887 -11.963 662 2HB LYS 81 1HB LYS 81 2.288 3.693 -12.273 663 1HG LYS 81 2HG LYS 81 2.788 1.494 -10.499 664 2HG LYS 81 1HG LYS 81 1.809 0.902 -11.839 665 1HD LYS 81 2HD LYS 81 3.952 2.707 -12.710 666 2HD LYS 81 1HD LYS 81 4.557 1.269 -11.887 667 1HE LYS 81 2HE LYS 81 3.315 -0.181 -13.397 668 2HE LYS 81 1HE LYS 81 2.552 1.214 -14.164 669 1HZ LYS 81 1HZ LYS 81 4.886 1.967 -14.693 670 2HZ LYS 81 2HZ LYS 81 4.325 0.611 -15.550 671 3HZ LYS 81 3HZ LYS 81 5.400 0.412 -14.251 672 H GLU 82 H GLU 82 -0.816 3.643 -9.885 673 HA GLU 82 HA GLU 82 -1.507 6.213 -10.953 674 1HB GLU 82 2HB GLU 82 -2.948 4.036 -10.324 675 2HB GLU 82 1HB GLU 82 -3.231 4.974 -8.855 676 1HG GLU 82 2HG GLU 82 -4.976 5.551 -10.413 677 2HG GLU 82 1HG GLU 82 -3.870 6.923 -10.335 678 H PHE 83 H PHE 83 -1.134 5.055 -7.589 679 HA PHE 83 HA PHE 83 -1.578 7.658 -6.412 680 1HB PHE 83 2HB PHE 83 -0.250 5.151 -5.339 681 2HB PHE 83 1HB PHE 83 -0.546 6.592 -4.368 682 HD1 PHE 83 1HD PHE 83 -1.771 3.475 -4.784 683 HD2 PHE 83 2HD PHE 83 -3.154 7.531 -5.081 684 HE1 PHE 83 1HE PHE 83 -4.094 2.712 -4.370 685 HE2 PHE 83 2HE PHE 83 -5.474 6.766 -4.664 686 HZ PHE 83 HZ PHE 83 -5.944 4.359 -4.312 687 H ASP 84 H ASP 84 1.227 5.955 -7.667 688 HA ASP 84 HA ASP 84 3.276 7.557 -6.481 689 1HB ASP 84 2HB ASP 84 3.363 5.350 -7.965 690 2HB ASP 84 1HB ASP 84 3.589 6.512 -9.270 691 H ALA 85 H ALA 85 1.252 7.995 -9.331 692 HA ALA 85 HA ALA 85 2.715 10.368 -10.230 693 1HB ALA 85 1HB ALA 85 0.468 10.503 -11.666 694 2HB ALA 85 2HB ALA 85 0.330 8.823 -11.150 695 3HB ALA 85 3HB ALA 85 1.744 9.350 -12.061 696 H GLN 86 H GLN 86 -0.010 9.689 -8.141 697 HA GLN 86 HA GLN 86 -1.015 12.434 -8.232 698 1HB GLN 86 2HB GLN 86 -1.911 9.877 -7.204 699 2HB GLN 86 1HB GLN 86 -2.076 11.120 -5.967 700 1HG GLN 86 2HG GLN 86 -3.139 12.554 -7.851 701 2HG GLN 86 1HG GLN 86 -3.313 11.026 -8.714 702 1HE2 GLN 86 1HE2 GLN 86 -5.540 10.582 -8.489 703 2HE2 GLN 86 2HE2 GLN 86 -6.345 10.496 -6.996 704 H GLY 87 H GLY 87 1.748 11.231 -6.907 705 1HA GLY 87 2HA GLY 87 3.207 12.134 -5.304 706 2HA GLY 87 1HA GLY 87 2.068 13.469 -5.109 707 H VAL 88 H VAL 88 1.109 10.120 -4.740 708 HA VAL 88 HA VAL 88 0.614 10.656 -1.844 709 HB VAL 88 HB VAL 88 -0.691 8.643 -3.705 710 1HG1 VAL 88 1HG1 VAL 88 -2.219 8.207 -1.862 711 2HG1 VAL 88 2HG1 VAL 88 -1.439 9.440 -0.874 712 3HG1 VAL 88 3HG1 VAL 88 -0.569 7.963 -1.286 713 1HG2 VAL 88 1HG2 VAL 88 -2.390 10.150 -4.035 714 2HG2 VAL 88 2HG2 VAL 88 -1.103 11.316 -3.731 715 3HG2 VAL 88 3HG2 VAL 88 -2.207 10.863 -2.433 716 H SER 89 H SER 89 1.182 9.035 -0.322 717 HA SER 89 HA SER 89 3.360 7.243 -1.255 718 1HB SER 89 2HB SER 89 2.558 8.196 1.506 719 2HB SER 89 1HB SER 89 3.845 7.032 1.208 720 HG SER 89 HG SER 89 4.823 8.644 -0.133 721 H ILE 90 H ILE 90 3.435 5.062 -0.121 722 HA ILE 90 HA ILE 90 0.750 3.998 0.561 723 HB ILE 90 HB ILE 90 2.572 2.757 -1.527 724 1HG1 ILE 90 2HG1 ILE 90 -0.092 4.200 -1.753 725 2HG1 ILE 90 1HG1 ILE 90 1.451 4.751 -2.395 726 1HG2 ILE 90 1HG2 ILE 90 1.341 1.090 -0.194 727 2HG2 ILE 90 2HG2 ILE 90 0.683 1.174 -1.828 728 3HG2 ILE 90 3HG2 ILE 90 -0.168 1.953 -0.495 729 1HD1 ILE 90 1HD1 ILE 90 1.255 2.250 -3.514 730 2HD1 ILE 90 2HD1 ILE 90 0.768 3.744 -4.318 731 3HD1 ILE 90 3HD1 ILE 90 -0.433 2.759 -3.482 732 H ARG 91 H ARG 91 0.871 2.576 2.228 733 HA ARG 91 HA ARG 91 3.592 1.727 3.121 734 1HB ARG 91 2HB ARG 91 1.002 2.212 4.600 735 2HB ARG 91 1HB ARG 91 2.341 1.331 5.334 736 1HG ARG 91 2HG ARG 91 3.828 3.258 4.944 737 2HG ARG 91 1HG ARG 91 2.490 4.141 4.207 738 1HD ARG 91 2HD ARG 91 1.328 4.331 6.244 739 2HD ARG 91 1HD ARG 91 2.234 3.014 6.988 740 HE ARG 91 HE ARG 91 4.169 4.917 6.465 741 1HH1 ARG 91 1HH2 ARG 91 1.106 4.933 8.152 742 2HH1 ARG 91 2HH2 ARG 91 1.601 6.175 9.247 743 1HH2 ARG 91 1HH1 ARG 91 4.769 6.522 7.905 744 2HH2 ARG 91 2HH1 ARG 91 3.651 7.066 9.112 745 H PHE 92 H PHE 92 3.895 -0.482 3.743 746 HA PHE 92 HA PHE 92 1.713 -2.336 2.870 747 1HB PHE 92 2HB PHE 92 4.614 -2.270 2.177 748 2HB PHE 92 1HB PHE 92 3.885 -3.855 2.439 749 HD1 PHE 92 1HD PHE 92 2.998 -0.612 0.753 750 HD2 PHE 92 2HD PHE 92 2.982 -4.904 0.572 751 HE1 PHE 92 1HE PHE 92 1.966 -0.514 -1.498 752 HE2 PHE 92 2HE PHE 92 1.949 -4.806 -1.680 753 HZ PHE 92 HZ PHE 92 1.441 -2.611 -2.716 754 H ILE 93 H ILE 93 1.147 -3.831 4.379 755 HA ILE 93 HA ILE 93 2.200 -3.737 7.039 756 HB ILE 93 HB ILE 93 -0.092 -4.491 6.541 757 1HG1 ILE 93 2HG1 ILE 93 1.573 -6.722 7.759 758 2HG1 ILE 93 1HG1 ILE 93 1.048 -5.276 8.621 759 1HG2 ILE 93 1HG2 ILE 93 0.161 -5.647 4.469 760 2HG2 ILE 93 2HG2 ILE 93 -0.324 -6.873 5.639 761 3HG2 ILE 93 3HG2 ILE 93 1.364 -6.745 5.143 762 1HD1 ILE 93 1HD1 ILE 93 -0.687 -6.681 9.195 763 2HD1 ILE 93 2HD1 ILE 93 -0.547 -7.629 7.714 764 3HD1 ILE 93 3HD1 ILE 93 -1.336 -6.053 7.679 765 H ASP 94 H ASP 94 3.096 -5.600 4.214 766 HA ASP 94 HA ASP 94 4.451 -7.766 5.439 767 1HB ASP 94 2HB ASP 94 3.984 -7.494 2.975 768 2HB ASP 94 1HB ASP 94 5.316 -6.338 2.910 769 H ASP 95 H ASP 95 5.386 -4.407 5.070 770 HA ASP 95 HA ASP 95 7.688 -4.869 6.848 771 1HB ASP 95 2HB ASP 95 7.937 -4.180 3.952 772 2HB ASP 95 1HB ASP 95 9.030 -3.379 5.082 773 H GLY 96 H GLY 96 6.176 -2.442 4.696 774 1HA GLY 96 2HA GLY 96 4.949 -0.604 5.992 775 2HA GLY 96 1HA GLY 96 6.442 -0.462 6.923 776 H ILE 97 H ILE 97 5.940 -0.877 3.416 777 HA ILE 97 HA ILE 97 6.909 1.852 2.907 778 HB ILE 97 HB ILE 97 8.729 1.011 1.399 779 1HG1 ILE 97 2HG1 ILE 97 8.223 -1.625 2.812 780 2HG1 ILE 97 1HG1 ILE 97 7.741 -1.287 1.149 781 1HG2 ILE 97 1HG2 ILE 97 10.315 0.675 3.161 782 2HG2 ILE 97 2HG2 ILE 97 9.080 0.021 4.238 783 3HG2 ILE 97 3HG2 ILE 97 9.068 1.735 3.821 784 1HD1 ILE 97 1HD1 ILE 97 10.570 -1.241 2.239 785 2HD1 ILE 97 2HD1 ILE 97 10.119 -0.784 0.597 786 3HD1 ILE 97 3HD1 ILE 97 9.891 -2.445 1.144 787 H SER 98 H SER 98 6.696 2.425 0.611 788 HA SER 98 HA SER 98 4.280 1.408 -0.566 789 1HB SER 98 2HB SER 98 6.443 3.300 -1.421 790 2HB SER 98 1HB SER 98 5.296 2.721 -2.626 791 HG SER 98 HG SER 98 4.153 4.320 -1.829 792 H THR 99 H THR 99 7.487 1.440 -2.120 793 HA THR 99 HA THR 99 7.650 -1.374 -2.594 794 HB THR 99 HB THR 99 5.725 -1.131 -4.032 795 HG1 THR 99 1HG THR 99 7.082 -2.410 -5.085 796 1HG2 THR 99 1HG2 THR 99 6.607 0.662 -6.047 797 2HG2 THR 99 2HG2 THR 99 6.856 1.477 -4.501 798 3HG2 THR 99 3HG2 THR 99 5.256 0.874 -4.935 799 H ASP 100 H ASP 100 9.692 -0.176 -1.791 800 HA ASP 100 HA ASP 100 11.237 1.503 -3.477 801 1HB ASP 100 2HB ASP 100 11.708 1.035 -1.071 802 2HB ASP 100 1HB ASP 100 12.264 -0.574 -1.528 803 H GLY 101 H GLY 101 11.234 0.779 -5.621 804 1HA GLY 101 2HA GLY 101 13.285 -0.873 -6.542 805 2HA GLY 101 1HA GLY 101 11.881 -1.932 -6.390 806 H GLU 102 H GLU 102 9.945 0.153 -7.004 807 HA GLU 102 HA GLU 102 10.042 -0.011 -9.912 808 1HB GLU 102 2HB GLU 102 8.133 1.344 -7.987 809 2HB GLU 102 1HB GLU 102 7.910 1.340 -9.736 810 1HG GLU 102 2HG GLU 102 7.785 -1.079 -9.779 811 2HG GLU 102 1HG GLU 102 8.204 -1.172 -8.068 812 H MET 103 H MET 103 10.757 2.416 -7.475 813 HA MET 103 HA MET 103 12.124 4.066 -9.456 814 1HB MET 103 2HB MET 103 10.764 6.113 -8.951 815 2HB MET 103 1HB MET 103 9.863 4.880 -9.833 816 1HG MET 103 2HG MET 103 8.566 4.314 -7.997 817 2HG MET 103 1HG MET 103 9.793 4.831 -6.841 818 1HE MET 103 1HE MET 103 8.944 6.175 -5.330 819 2HE MET 103 2HE MET 103 7.243 5.933 -5.722 820 3HE MET 103 3HE MET 103 7.862 7.566 -5.492 821 H GLY 104 H GLY 104 12.557 6.352 -8.102 822 1HA GLY 104 2HA GLY 104 12.965 5.931 -5.246 823 2HA GLY 104 1HA GLY 104 14.465 5.827 -6.170 824 H LYS 105 H LYS 105 15.386 7.716 -6.962 825 HA LYS 105 HA LYS 105 14.186 10.241 -5.974 826 1HB LYS 105 2HB LYS 105 16.407 11.216 -6.606 827 2HB LYS 105 1HB LYS 105 16.537 9.895 -5.444 828 1HG LYS 105 2HG LYS 105 17.400 8.413 -7.022 829 2HG LYS 105 1HG LYS 105 16.685 9.283 -8.380 830 1HD LYS 105 2HD LYS 105 18.299 11.223 -7.510 831 2HD LYS 105 1HD LYS 105 19.209 9.848 -6.885 832 1HE LYS 105 2HE LYS 105 18.717 8.917 -9.355 833 2HE LYS 105 1HE LYS 105 18.679 10.645 -9.707 834 1HZ LYS 105 1HZ LYS 105 20.841 10.685 -8.335 835 2HZ LYS 105 2HZ LYS 105 20.898 10.124 -9.938 836 3HZ LYS 105 3HZ LYS 105 20.894 9.018 -8.649 Start of MODEL 3 1 1H MET 1 1HT MET 1 -3.902 15.643 5.649 2 HA MET 1 HA MET 1 -2.548 13.469 4.147 3 1HB MET 1 2HB MET 1 -1.279 15.184 5.794 4 2HB MET 1 1HB MET 1 -1.930 14.070 6.997 5 1HG MET 1 2HG MET 1 -1.003 12.246 5.295 6 2HG MET 1 1HG MET 1 0.070 13.568 4.830 7 1HE MET 1 1HE MET 1 -0.519 10.707 7.444 8 2HE MET 1 2HE MET 1 1.235 10.651 7.592 9 3HE MET 1 3HE MET 1 0.495 10.732 5.995 10 H ARG 2 H ARG 2 -3.425 11.491 4.579 11 HA ARG 2 HA ARG 2 -5.026 11.106 7.042 12 1HB ARG 2 2HB ARG 2 -6.227 10.159 4.454 13 2HB ARG 2 1HB ARG 2 -7.021 10.476 5.992 14 1HG ARG 2 2HG ARG 2 -6.359 12.955 5.582 15 2HG ARG 2 1HG ARG 2 -6.097 12.455 3.910 16 1HD ARG 2 2HD ARG 2 -8.533 11.322 4.417 17 2HD ARG 2 1HD ARG 2 -8.626 12.779 5.407 18 HE ARG 2 HE ARG 2 -8.741 12.697 2.531 19 1HH1 ARG 2 1HH2 ARG 2 -7.485 14.568 5.206 20 2HH1 ARG 2 2HH2 ARG 2 -7.495 16.044 4.308 21 1HH2 ARG 2 1HH1 ARG 2 -8.740 14.630 1.407 22 2HH2 ARG 2 2HH1 ARG 2 -8.197 16.083 2.181 23 H LEU 3 H LEU 3 -5.467 8.787 7.432 24 HA LEU 3 HA LEU 3 -3.297 7.105 6.277 25 1HB LEU 3 2HB LEU 3 -5.021 6.617 8.727 26 2HB LEU 3 1HB LEU 3 -3.613 5.675 8.235 27 HG LEU 3 HG LEU 3 -2.438 8.062 8.282 28 1HD1 LEU 3 1HD1 LEU 3 -4.926 8.341 9.943 29 2HD1 LEU 3 2HD1 LEU 3 -4.173 9.514 8.863 30 3HD1 LEU 3 3HD1 LEU 3 -3.452 9.175 10.437 31 1HD2 LEU 3 1HD2 LEU 3 -1.668 6.219 9.634 32 2HD2 LEU 3 2HD2 LEU 3 -3.091 6.315 10.671 33 3HD2 LEU 3 3HD2 LEU 3 -1.882 7.598 10.713 34 H PHE 4 H PHE 4 -4.489 6.688 4.296 35 HA PHE 4 HA PHE 4 -7.081 5.320 4.454 36 1HB PHE 4 2HB PHE 4 -5.223 6.121 2.218 37 2HB PHE 4 1HB PHE 4 -6.578 5.032 1.917 38 HD1 PHE 4 1HD PHE 4 -5.564 8.463 2.523 39 HD2 PHE 4 2HD PHE 4 -8.921 5.784 2.483 40 HE1 PHE 4 1HE PHE 4 -7.112 10.400 2.443 41 HE2 PHE 4 2HE PHE 4 -10.467 7.719 2.402 42 HZ PHE 4 HZ PHE 4 -9.562 10.028 2.382 43 H GLY 5 H GLY 5 -7.406 3.107 4.214 44 1HA GLY 5 2HA GLY 5 -4.985 1.413 3.774 45 2HA GLY 5 1HA GLY 5 -6.090 1.064 5.102 46 H TYR 6 H TYR 6 -5.309 -0.160 2.281 47 HA TYR 6 HA TYR 6 -8.039 -0.520 1.168 48 1HB TYR 6 2HB TYR 6 -6.173 -0.087 -0.399 49 2HB TYR 6 1HB TYR 6 -5.327 -1.509 0.207 50 HD1 TYR 6 1HD TYR 6 -5.389 -3.270 -1.293 51 HD2 TYR 6 2HD TYR 6 -8.870 -0.795 -0.843 52 HE1 TYR 6 1HE TYR 6 -6.612 -4.701 -2.906 53 HE2 TYR 6 2HE TYR 6 -10.094 -2.228 -2.457 54 HH TYR 6 HH TYR 6 -8.677 -4.278 -4.535 55 H ALA 7 H ALA 7 -8.984 -2.647 1.004 56 HA ALA 7 HA ALA 7 -7.624 -4.880 2.370 57 1HB ALA 7 1HB ALA 7 -9.840 -5.133 3.775 58 2HB ALA 7 2HB ALA 7 -9.973 -3.398 3.502 59 3HB ALA 7 3HB ALA 7 -8.563 -4.053 4.332 60 H ARG 8 H ARG 8 -7.841 -6.067 0.414 61 HA ARG 8 HA ARG 8 -10.576 -6.461 -0.675 62 1HB ARG 8 2HB ARG 8 -8.247 -6.209 -2.005 63 2HB ARG 8 1HB ARG 8 -8.239 -7.957 -1.777 64 1HG ARG 8 2HG ARG 8 -10.731 -6.604 -2.781 65 2HG ARG 8 1HG ARG 8 -9.417 -6.951 -3.899 66 1HD ARG 8 2HD ARG 8 -10.535 -9.064 -2.059 67 2HD ARG 8 1HD ARG 8 -11.229 -8.751 -3.649 68 HE ARG 8 HE ARG 8 -8.481 -9.062 -4.085 69 1HH1 ARG 8 1HH2 ARG 8 -11.085 -10.984 -2.758 70 2HH1 ARG 8 2HH2 ARG 8 -10.364 -12.478 -3.244 71 1HH2 ARG 8 1HH1 ARG 8 -7.583 -11.019 -4.693 72 2HH2 ARG 8 2HH1 ARG 8 -8.401 -12.501 -4.327 73 H VAL 9 H VAL 9 -11.746 -7.996 0.379 74 HA VAL 9 HA VAL 9 -10.702 -9.917 2.169 75 HB VAL 9 HB VAL 9 -12.920 -11.023 1.991 76 1HG1 VAL 9 1HG1 VAL 9 -12.757 -9.118 3.455 77 2HG1 VAL 9 2HG1 VAL 9 -14.269 -8.967 2.560 78 3HG1 VAL 9 3HG1 VAL 9 -12.871 -7.998 2.099 79 1HG2 VAL 9 1HG2 VAL 9 -13.664 -10.959 -0.186 80 2HG2 VAL 9 2HG2 VAL 9 -12.979 -9.361 -0.482 81 3HG2 VAL 9 3HG2 VAL 9 -14.492 -9.521 0.412 82 H SER 10 H SER 10 -11.510 -12.375 1.683 83 HA SER 10 HA SER 10 -10.864 -13.366 -0.969 84 1HB SER 10 2HB SER 10 -8.615 -12.758 0.245 85 2HB SER 10 1HB SER 10 -8.928 -14.224 1.170 86 HG SER 10 HG SER 10 -8.815 -15.408 -0.663 87 H THR 11 H THR 11 -11.104 -14.097 2.511 88 HA THR 11 HA THR 11 -12.095 -16.806 1.930 89 HB THR 11 HB THR 11 -10.585 -16.428 3.863 90 HG1 THR 11 1HG THR 11 -11.638 -18.046 4.631 91 1HG2 THR 11 1HG2 THR 11 -11.483 -15.256 5.866 92 2HG2 THR 11 2HG2 THR 11 -12.897 -14.776 4.928 93 3HG2 THR 11 3HG2 THR 11 -11.302 -14.167 4.489 94 H SER 12 H SER 12 -14.184 -17.529 2.873 95 HA SER 12 HA SER 12 -16.299 -15.580 2.292 96 1HB SER 12 2HB SER 12 -16.155 -18.514 2.821 97 2HB SER 12 1HB SER 12 -17.680 -17.702 3.159 98 HG SER 12 HG SER 12 -16.434 -18.241 0.764 99 H GLN 13 H GLN 13 -14.771 -17.000 5.104 100 HA GLN 13 HA GLN 13 -16.780 -16.422 7.051 101 1HB GLN 13 2HB GLN 13 -14.337 -17.651 7.102 102 2HB GLN 13 1HB GLN 13 -13.959 -16.128 7.907 103 1HG GLN 13 2HG GLN 13 -16.092 -16.566 9.307 104 2HG GLN 13 1HG GLN 13 -15.975 -18.223 8.711 105 1HE2 GLN 13 1HE2 GLN 13 -15.153 -19.370 10.495 106 2HE2 GLN 13 2HE2 GLN 13 -13.740 -18.945 11.333 107 H GLN 14 H GLN 14 -15.336 -14.759 8.916 108 HA GLN 14 HA GLN 14 -16.161 -12.157 7.976 109 1HB GLN 14 2HB GLN 14 -15.122 -11.364 10.128 110 2HB GLN 14 1HB GLN 14 -16.310 -12.650 10.335 111 1HG GLN 14 2HG GLN 14 -14.669 -14.273 10.762 112 2HG GLN 14 1HG GLN 14 -13.394 -13.319 10.004 113 1HE2 GLN 14 1HE2 GLN 14 -11.973 -13.026 11.777 114 2HE2 GLN 14 2HE2 GLN 14 -12.426 -12.273 13.229 115 H SER 15 H SER 15 -14.626 -12.545 5.980 116 HA SER 15 HA SER 15 -11.809 -12.169 6.258 117 1HB SER 15 2HB SER 15 -13.046 -12.935 4.177 118 2HB SER 15 1HB SER 15 -13.496 -11.252 3.928 119 HG SER 15 HG SER 15 -10.843 -12.228 4.213 120 H LEU 16 H LEU 16 -14.252 -9.788 5.199 121 HA LEU 16 HA LEU 16 -12.729 -7.474 5.175 122 1HB LEU 16 2HB LEU 16 -15.003 -7.403 4.440 123 2HB LEU 16 1HB LEU 16 -15.607 -7.914 6.011 124 HG LEU 16 HG LEU 16 -13.990 -5.445 6.094 125 1HD1 LEU 16 1HD1 LEU 16 -15.617 -4.007 5.061 126 2HD1 LEU 16 2HD1 LEU 16 -16.737 -5.348 4.820 127 3HD1 LEU 16 3HD1 LEU 16 -15.240 -5.270 3.891 128 1HD2 LEU 16 1HD2 LEU 16 -16.835 -5.817 7.014 129 2HD2 LEU 16 2HD2 LEU 16 -15.560 -4.834 7.733 130 3HD2 LEU 16 3HD2 LEU 16 -15.510 -6.591 7.883 131 H ASP 17 H ASP 17 -14.160 -8.995 8.061 132 HA ASP 17 HA ASP 17 -13.474 -6.894 9.889 133 1HB ASP 17 2HB ASP 17 -14.929 -9.167 10.092 134 2HB ASP 17 1HB ASP 17 -13.443 -9.693 10.883 135 H ILE 18 H ILE 18 -11.765 -9.861 8.919 136 HA ILE 18 HA ILE 18 -9.526 -9.503 10.674 137 HB ILE 18 HB ILE 18 -9.601 -10.934 7.999 138 1HG1 ILE 18 2HG1 ILE 18 -9.856 -12.409 10.570 139 2HG1 ILE 18 1HG1 ILE 18 -11.265 -11.472 10.073 140 1HG2 ILE 18 1HG2 ILE 18 -7.750 -11.011 10.387 141 2HG2 ILE 18 2HG2 ILE 18 -7.336 -10.748 8.692 142 3HG2 ILE 18 3HG2 ILE 18 -7.841 -12.346 9.239 143 1HD1 ILE 18 1HD1 ILE 18 -10.613 -12.657 7.714 144 2HD1 ILE 18 2HD1 ILE 18 -11.760 -13.346 8.862 145 3HD1 ILE 18 3HD1 ILE 18 -10.087 -13.896 8.848 146 H GLN 19 H GLN 19 -10.309 -8.169 7.511 147 HA GLN 19 HA GLN 19 -7.605 -7.243 6.949 148 1HB GLN 19 2HB GLN 19 -10.003 -5.873 5.779 149 2HB GLN 19 1HB GLN 19 -8.456 -6.241 5.029 150 1HG GLN 19 2HG GLN 19 -9.178 -8.730 5.294 151 2HG GLN 19 1HG GLN 19 -10.798 -8.061 5.497 152 1HE2 GLN 19 1HE2 GLN 19 -11.642 -6.685 3.699 153 2HE2 GLN 19 2HE2 GLN 19 -11.060 -6.923 2.125 154 H VAL 20 H VAL 20 -10.601 -5.532 7.908 155 HA VAL 20 HA VAL 20 -9.581 -2.965 8.282 156 HB VAL 20 HB VAL 20 -11.615 -4.385 10.035 157 1HG1 VAL 20 1HG1 VAL 20 -12.430 -2.187 10.606 158 2HG1 VAL 20 2HG1 VAL 20 -11.318 -1.422 9.470 159 3HG1 VAL 20 3HG1 VAL 20 -10.695 -2.202 10.925 160 1HG2 VAL 20 1HG2 VAL 20 -12.471 -2.510 7.909 161 2HG2 VAL 20 2HG2 VAL 20 -13.160 -4.060 8.387 162 3HG2 VAL 20 3HG2 VAL 20 -11.752 -4.012 7.328 163 H ARG 21 H ARG 21 -9.890 -5.353 10.961 164 HA ARG 21 HA ARG 21 -8.402 -3.935 12.894 165 1HB ARG 21 2HB ARG 21 -7.897 -6.192 13.868 166 2HB ARG 21 1HB ARG 21 -9.601 -5.965 13.475 167 1HG ARG 21 2HG ARG 21 -9.447 -7.881 12.291 168 2HG ARG 21 1HG ARG 21 -8.532 -6.957 11.105 169 1HD ARG 21 2HD ARG 21 -6.752 -8.267 11.524 170 2HD ARG 21 1HD ARG 21 -6.700 -7.623 13.164 171 HE ARG 21 HE ARG 21 -8.685 -9.635 13.134 172 1HH1 ARG 21 1HH2 ARG 21 -5.230 -9.352 12.665 173 2HH1 ARG 21 2HH2 ARG 21 -4.921 -10.957 13.229 174 1HH2 ARG 21 1HH1 ARG 21 -8.239 -11.707 13.854 175 2HH2 ARG 21 2HH1 ARG 21 -6.604 -12.278 13.893 176 H ALA 22 H ALA 22 -7.281 -5.718 10.095 177 HA ALA 22 HA ALA 22 -4.493 -5.822 10.916 178 1HB ALA 22 1HB ALA 22 -4.848 -5.841 8.037 179 2HB ALA 22 2HB ALA 22 -6.046 -6.884 8.803 180 3HB ALA 22 3HB ALA 22 -4.329 -7.152 9.096 181 H LEU 23 H LEU 23 -6.561 -3.604 9.124 182 HA LEU 23 HA LEU 23 -4.386 -1.870 8.259 183 1HB LEU 23 2HB LEU 23 -7.348 -1.246 8.495 184 2HB LEU 23 1HB LEU 23 -6.160 -0.343 7.560 185 HG LEU 23 HG LEU 23 -6.892 -3.245 7.074 186 1HD1 LEU 23 1HD1 LEU 23 -7.863 -2.231 4.937 187 2HD1 LEU 23 2HD1 LEU 23 -7.746 -0.667 5.746 188 3HD1 LEU 23 3HD1 LEU 23 -8.772 -1.934 6.419 189 1HD2 LEU 23 1HD2 LEU 23 -5.702 -2.485 4.825 190 2HD2 LEU 23 2HD2 LEU 23 -4.757 -3.060 6.197 191 3HD2 LEU 23 3HD2 LEU 23 -4.918 -1.329 5.901 192 H LYS 24 H LYS 24 -6.778 -1.853 10.893 193 HA LYS 24 HA LYS 24 -5.987 0.673 12.013 194 1HB LYS 24 2HB LYS 24 -7.769 -1.519 12.734 195 2HB LYS 24 1HB LYS 24 -6.893 -0.939 14.146 196 1HG LYS 24 2HG LYS 24 -8.433 0.709 14.252 197 2HG LYS 24 1HG LYS 24 -7.618 1.416 12.866 198 1HD LYS 24 2HD LYS 24 -10.033 -0.422 12.836 199 2HD LYS 24 1HD LYS 24 -9.972 1.264 12.333 200 1HE LYS 24 2HE LYS 24 -8.513 -1.019 10.986 201 2HE LYS 24 1HE LYS 24 -9.979 -0.259 10.394 202 1HZ LYS 24 1HZ LYS 24 -7.805 0.555 9.430 203 2HZ LYS 24 2HZ LYS 24 -7.517 1.290 10.929 204 3HZ LYS 24 3HZ LYS 24 -8.865 1.742 10.009 205 H ASP 25 H ASP 25 -4.933 -2.662 12.581 206 HA ASP 25 HA ASP 25 -3.124 -2.104 14.722 207 1HB ASP 25 2HB ASP 25 -3.978 -4.381 13.669 208 2HB ASP 25 1HB ASP 25 -2.535 -4.214 12.680 209 H ALA 26 H ALA 26 -2.908 -1.936 11.232 210 HA ALA 26 HA ALA 26 -0.056 -1.464 11.093 211 1HB ALA 26 1HB ALA 26 -1.942 -0.487 8.988 212 2HB ALA 26 2HB ALA 26 -1.858 -2.224 9.278 213 3HB ALA 26 3HB ALA 26 -0.408 -1.338 8.806 214 H GLY 27 H GLY 27 -2.946 0.543 11.371 215 1HA GLY 27 2HA GLY 27 -2.534 2.729 12.595 216 2HA GLY 27 1HA GLY 27 -1.187 2.966 11.476 217 H VAL 28 H VAL 28 -4.450 1.726 10.867 218 HA VAL 28 HA VAL 28 -4.809 3.903 8.854 219 HB VAL 28 HB VAL 28 -5.921 1.078 8.935 220 1HG1 VAL 28 1HG1 VAL 28 -6.975 1.549 6.827 221 2HG1 VAL 28 2HG1 VAL 28 -6.205 3.132 6.729 222 3HG1 VAL 28 3HG1 VAL 28 -7.459 2.834 7.932 223 1HG2 VAL 28 1HG2 VAL 28 -3.873 2.441 7.168 224 2HG2 VAL 28 2HG2 VAL 28 -4.539 0.837 6.863 225 3HG2 VAL 28 3HG2 VAL 28 -3.576 1.132 8.311 226 H LYS 29 H LYS 29 -6.874 4.921 8.769 227 HA LYS 29 HA LYS 29 -8.296 4.984 11.335 228 1HB LYS 29 2HB LYS 29 -8.192 6.619 8.867 229 2HB LYS 29 1HB LYS 29 -9.764 6.576 9.664 230 1HG LYS 29 2HG LYS 29 -8.942 7.531 11.634 231 2HG LYS 29 1HG LYS 29 -7.280 7.049 11.290 232 1HD LYS 29 2HD LYS 29 -6.869 8.902 10.041 233 2HD LYS 29 1HD LYS 29 -8.450 8.843 9.261 234 1HE LYS 29 2HE LYS 29 -9.504 9.841 11.215 235 2HE LYS 29 1HE LYS 29 -7.979 9.793 12.102 236 1HZ LYS 29 1HZ LYS 29 -8.284 11.241 9.537 237 2HZ LYS 29 2HZ LYS 29 -7.030 11.379 10.675 238 3HZ LYS 29 3HZ LYS 29 -8.579 11.978 11.035 239 H ALA 30 H ALA 30 -10.336 4.142 11.726 240 HA ALA 30 HA ALA 30 -11.301 2.007 10.069 241 1HB ALA 30 1HB ALA 30 -11.725 2.507 12.606 242 2HB ALA 30 2HB ALA 30 -12.993 1.731 11.658 243 3HB ALA 30 3HB ALA 30 -13.083 3.457 12.004 244 H ASN 31 H ASN 31 -12.117 5.428 10.309 245 HA ASN 31 HA ASN 31 -14.470 5.317 8.657 246 1HB ASN 31 2HB ASN 31 -13.116 7.261 10.154 247 2HB ASN 31 1HB ASN 31 -12.986 7.828 8.492 248 1HD2 ASN 31 1HD2 ASN 31 -15.493 6.412 10.673 249 2HD2 ASN 31 2HD2 ASN 31 -16.749 7.400 10.110 250 H ARG 32 H ARG 32 -11.044 5.313 7.992 251 HA ARG 32 HA ARG 32 -11.609 5.709 5.084 252 1HB ARG 32 2HB ARG 32 -8.822 5.723 6.219 253 2HB ARG 32 1HB ARG 32 -9.439 6.539 4.787 254 1HG ARG 32 2HG ARG 32 -10.860 7.944 6.426 255 2HG ARG 32 1HG ARG 32 -9.796 7.315 7.684 256 1HD ARG 32 2HD ARG 32 -7.908 8.383 6.804 257 2HD ARG 32 1HD ARG 32 -8.621 8.533 5.199 258 HE ARG 32 HE ARG 32 -8.877 10.452 7.328 259 1HH1 ARG 32 1HH2 ARG 32 -10.657 8.956 4.715 260 2HH1 ARG 32 2HH2 ARG 32 -11.719 10.307 4.531 261 1HH2 ARG 32 1HH1 ARG 32 -10.268 12.180 7.050 262 2HH2 ARG 32 2HH1 ARG 32 -11.502 12.115 5.836 263 H ILE 33 H ILE 33 -12.404 3.319 5.731 264 HA ILE 33 HA ILE 33 -10.115 1.451 5.256 265 HB ILE 33 HB ILE 33 -12.846 0.929 6.476 266 1HG1 ILE 33 2HG1 ILE 33 -11.242 2.221 7.894 267 2HG1 ILE 33 1HG1 ILE 33 -11.638 0.643 8.567 268 1HG2 ILE 33 1HG2 ILE 33 -10.792 -0.862 5.392 269 2HG2 ILE 33 2HG2 ILE 33 -12.463 -1.207 5.834 270 3HG2 ILE 33 3HG2 ILE 33 -11.202 -1.227 7.067 271 1HD1 ILE 33 1HD1 ILE 33 -9.066 1.659 8.054 272 2HD1 ILE 33 2HD1 ILE 33 -9.341 0.452 6.800 273 3HD1 ILE 33 3HD1 ILE 33 -9.477 0.004 8.497 274 H PHE 34 H PHE 34 -10.166 1.715 2.953 275 HA PHE 34 HA PHE 34 -12.647 1.263 1.472 276 1HB PHE 34 2HB PHE 34 -9.761 1.686 0.726 277 2HB PHE 34 1HB PHE 34 -10.908 1.105 -0.481 278 HD1 PHE 34 1HD PHE 34 -11.771 2.788 -1.833 279 HD2 PHE 34 2HD PHE 34 -10.975 3.628 2.304 280 HE1 PHE 34 1HE PHE 34 -12.625 5.098 -2.134 281 HE2 PHE 34 2HE PHE 34 -11.830 5.936 2.000 282 HZ PHE 34 HZ PHE 34 -12.657 6.669 -0.220 283 H THR 35 H THR 35 -13.057 -0.818 2.603 284 HA THR 35 HA THR 35 -11.325 -3.093 2.043 285 HB THR 35 HB THR 35 -12.667 -3.019 4.097 286 HG1 THR 35 1HG THR 35 -13.001 -5.087 3.981 287 1HG2 THR 35 1HG2 THR 35 -15.251 -3.581 2.864 288 2HG2 THR 35 2HG2 THR 35 -14.656 -1.980 2.436 289 3HG2 THR 35 3HG2 THR 35 -14.846 -2.427 4.131 290 H ASP 36 H ASP 36 -12.846 -5.135 1.244 291 HA ASP 36 HA ASP 36 -14.417 -4.370 -1.140 292 1HB ASP 36 2HB ASP 36 -11.762 -4.751 -1.503 293 2HB ASP 36 1HB ASP 36 -12.320 -6.420 -1.624 294 H LYS 37 H LYS 37 -16.103 -5.797 -1.348 295 HA LYS 37 HA LYS 37 -16.072 -8.212 0.372 296 1HB LYS 37 2HB LYS 37 -18.373 -7.078 -1.242 297 2HB LYS 37 1HB LYS 37 -18.472 -8.278 0.045 298 1HG LYS 37 2HG LYS 37 -17.507 -5.421 0.390 299 2HG LYS 37 1HG LYS 37 -19.101 -6.016 0.851 300 1HD LYS 37 2HD LYS 37 -16.483 -7.090 1.950 301 2HD LYS 37 1HD LYS 37 -17.512 -5.925 2.780 302 1HE LYS 37 2HE LYS 37 -18.500 -7.747 3.697 303 2HE LYS 37 1HE LYS 37 -19.313 -7.903 2.140 304 1HZ LYS 37 1HZ LYS 37 -18.281 -9.972 2.698 305 2HZ LYS 37 2HZ LYS 37 -16.782 -9.219 2.967 306 3HZ LYS 37 3HZ LYS 37 -17.430 -9.290 1.399 307 H ALA 38 H ALA 38 -14.345 -8.552 -1.663 308 HA ALA 38 HA ALA 38 -15.270 -9.545 -4.141 309 1HB ALA 38 1HB ALA 38 -13.108 -11.142 -3.633 310 2HB ALA 38 2HB ALA 38 -12.834 -9.827 -2.490 311 3HB ALA 38 3HB ALA 38 -12.997 -9.479 -4.211 312 H SER 39 H SER 39 -15.487 -10.965 -0.963 313 HA SER 39 HA SER 39 -15.786 -13.714 -1.809 314 1HB SER 39 2HB SER 39 -16.641 -12.325 0.747 315 2HB SER 39 1HB SER 39 -16.632 -14.069 0.499 316 HG SER 39 HG SER 39 -14.713 -13.263 1.513 317 H GLY 40 H GLY 40 -17.346 -12.950 -3.607 318 1HA GLY 40 2HA GLY 40 -20.107 -13.443 -2.642 319 2HA GLY 40 1HA GLY 40 -19.832 -12.000 -3.619 320 H SER 41 H SER 41 -21.423 -13.194 -5.079 321 HA SER 41 HA SER 41 -20.765 -15.613 -6.426 322 1HB SER 41 2HB SER 41 -22.525 -13.275 -7.005 323 2HB SER 41 1HB SER 41 -22.138 -14.348 -8.347 324 HG SER 41 HG SER 41 -23.293 -15.877 -7.450 325 H SER 42 H SER 42 -19.707 -12.307 -6.912 326 HA SER 42 HA SER 42 -17.654 -13.283 -8.822 327 1HB SER 42 2HB SER 42 -19.796 -11.281 -9.375 328 2HB SER 42 1HB SER 42 -18.183 -10.913 -9.977 329 HG SER 42 HG SER 42 -19.989 -12.822 -10.773 330 H SER 43 H SER 43 -15.869 -11.621 -9.026 331 HA SER 43 HA SER 43 -15.034 -10.683 -6.467 332 1HB SER 43 2HB SER 43 -13.650 -11.118 -8.640 333 2HB SER 43 1HB SER 43 -14.037 -9.442 -9.019 334 HG SER 43 HG SER 43 -12.421 -10.519 -7.029 335 H ASP 44 H ASP 44 -14.408 -8.237 -6.190 336 HA ASP 44 HA ASP 44 -16.333 -6.350 -7.362 337 1HB ASP 44 2HB ASP 44 -16.583 -7.452 -4.600 338 2HB ASP 44 1HB ASP 44 -16.861 -5.721 -4.802 339 H ARG 45 H ARG 45 -13.534 -6.436 -7.511 340 HA ARG 45 HA ARG 45 -12.148 -4.938 -5.528 341 1HB ARG 45 2HB ARG 45 -11.681 -5.269 -8.500 342 2HB ARG 45 1HB ARG 45 -10.570 -4.387 -7.449 343 1HG ARG 45 2HG ARG 45 -10.336 -6.401 -6.024 344 2HG ARG 45 1HG ARG 45 -11.408 -7.282 -7.114 345 1HD ARG 45 2HD ARG 45 -8.849 -5.960 -8.047 346 2HD ARG 45 1HD ARG 45 -8.920 -7.633 -7.509 347 HE ARG 45 HE ARG 45 -10.161 -8.198 -9.460 348 1HH1 ARG 45 1HH2 ARG 45 -9.628 -4.737 -9.255 349 2HH1 ARG 45 2HH2 ARG 45 -10.122 -4.473 -10.886 350 1HH2 ARG 45 1HH1 ARG 45 -10.787 -7.794 -11.559 351 2HH2 ARG 45 2HH1 ARG 45 -10.770 -6.177 -12.177 352 H LYS 46 H LYS 46 -13.633 -3.228 -4.952 353 HA LYS 46 HA LYS 46 -13.745 -1.003 -6.949 354 1HB LYS 46 2HB LYS 46 -15.674 -1.847 -4.785 355 2HB LYS 46 1HB LYS 46 -15.713 -0.225 -5.477 356 1HG LYS 46 2HG LYS 46 -15.624 -1.675 -7.753 357 2HG LYS 46 1HG LYS 46 -16.453 -2.826 -6.708 358 1HD LYS 46 2HD LYS 46 -17.295 0.063 -7.069 359 2HD LYS 46 1HD LYS 46 -18.022 -1.300 -7.922 360 1HE LYS 46 2HE LYS 46 -18.980 -2.176 -5.978 361 2HE LYS 46 1HE LYS 46 -17.832 -1.354 -4.922 362 1HZ LYS 46 1HZ LYS 46 -19.986 -0.296 -4.822 363 2HZ LYS 46 2HZ LYS 46 -19.990 -0.062 -6.503 364 3HZ LYS 46 3HZ LYS 46 -18.862 0.757 -5.532 365 H GLY 47 H GLY 47 -12.704 -1.983 -3.775 366 1HA GLY 47 2HA GLY 47 -12.560 0.510 -2.447 367 2HA GLY 47 1HA GLY 47 -11.478 -0.846 -2.138 368 H LEU 48 H LEU 48 -9.902 -1.124 -4.223 369 HA LEU 48 HA LEU 48 -8.123 1.098 -4.151 370 1HB LEU 48 2HB LEU 48 -7.420 -0.003 -6.574 371 2HB LEU 48 1HB LEU 48 -6.816 -0.545 -5.019 372 HG LEU 48 HG LEU 48 -8.548 -2.288 -4.929 373 1HD1 LEU 48 1HD1 LEU 48 -9.694 -2.536 -7.353 374 2HD1 LEU 48 2HD1 LEU 48 -9.531 -0.781 -7.307 375 3HD1 LEU 48 3HD1 LEU 48 -10.448 -1.614 -6.053 376 1HD2 LEU 48 1HD2 LEU 48 -6.370 -2.694 -6.102 377 2HD2 LEU 48 2HD2 LEU 48 -7.153 -2.258 -7.622 378 3HD2 LEU 48 3HD2 LEU 48 -7.690 -3.682 -6.731 379 H ASP 49 H ASP 49 -10.842 0.423 -6.254 380 HA ASP 49 HA ASP 49 -10.245 2.390 -8.271 381 1HB ASP 49 2HB ASP 49 -12.117 0.445 -8.057 382 2HB ASP 49 1HB ASP 49 -13.092 1.844 -7.607 383 H LEU 50 H LEU 50 -12.660 2.514 -5.627 384 HA LEU 50 HA LEU 50 -13.104 5.334 -5.829 385 1HB LEU 50 2HB LEU 50 -13.420 3.568 -3.381 386 2HB LEU 50 1HB LEU 50 -14.206 5.121 -3.659 387 HG LEU 50 HG LEU 50 -14.605 3.144 -5.823 388 1HD1 LEU 50 1HD1 LEU 50 -14.650 1.846 -3.572 389 2HD1 LEU 50 2HD1 LEU 50 -16.020 1.660 -4.668 390 3HD1 LEU 50 3HD1 LEU 50 -16.148 2.726 -3.268 391 1HD2 LEU 50 1HD2 LEU 50 -15.901 5.082 -6.017 392 2HD2 LEU 50 2HD2 LEU 50 -16.200 5.175 -4.282 393 3HD2 LEU 50 3HD2 LEU 50 -17.034 3.965 -5.257 394 H LEU 51 H LEU 51 -10.684 3.413 -4.169 395 HA LEU 51 HA LEU 51 -9.700 5.437 -2.387 396 1HB LEU 51 2HB LEU 51 -9.175 2.921 -2.372 397 2HB LEU 51 1HB LEU 51 -8.031 3.260 -3.670 398 HG LEU 51 HG LEU 51 -7.095 5.078 -2.076 399 1HD1 LEU 51 1HD1 LEU 51 -7.430 4.124 0.363 400 2HD1 LEU 51 2HD1 LEU 51 -8.933 3.499 -0.310 401 3HD1 LEU 51 3HD1 LEU 51 -8.619 5.233 -0.321 402 1HD2 LEU 51 1HD2 LEU 51 -6.642 2.331 -0.976 403 2HD2 LEU 51 2HD2 LEU 51 -5.465 3.575 -1.400 404 3HD2 LEU 51 3HD2 LEU 51 -6.245 2.631 -2.668 405 H ARG 52 H ARG 52 -8.951 4.555 -5.735 406 HA ARG 52 HA ARG 52 -6.715 6.270 -6.129 407 1HB ARG 52 2HB ARG 52 -8.759 5.012 -7.918 408 2HB ARG 52 1HB ARG 52 -7.699 6.254 -8.587 409 1HG ARG 52 2HG ARG 52 -5.821 4.947 -8.399 410 2HG ARG 52 1HG ARG 52 -6.395 4.149 -6.935 411 1HD ARG 52 2HD ARG 52 -6.377 2.528 -8.747 412 2HD ARG 52 1HD ARG 52 -8.052 2.892 -8.334 413 HE ARG 52 HE ARG 52 -7.406 4.687 -10.373 414 1HH1 ARG 52 1HH2 ARG 52 -7.431 1.211 -9.976 415 2HH1 ARG 52 2HH2 ARG 52 -7.753 0.921 -11.649 416 1HH2 ARG 52 1HH1 ARG 52 -7.823 4.264 -12.531 417 2HH2 ARG 52 2HH1 ARG 52 -7.974 2.630 -13.082 418 H MET 53 H MET 53 -10.103 6.991 -5.802 419 HA MET 53 HA MET 53 -9.581 9.778 -6.726 420 1HB MET 53 2HB MET 53 -11.913 9.983 -7.238 421 2HB MET 53 1HB MET 53 -11.388 8.441 -7.902 422 1HG MET 53 2HG MET 53 -12.352 7.242 -6.015 423 2HG MET 53 1HG MET 53 -12.758 8.758 -5.211 424 1HE MET 53 1HE MET 53 -14.887 8.669 -4.786 425 2HE MET 53 2HE MET 53 -15.367 7.075 -5.368 426 3HE MET 53 3HE MET 53 -16.283 8.499 -5.859 427 H LYS 54 H LYS 54 -9.649 8.081 -3.891 428 HA LYS 54 HA LYS 54 -10.969 10.296 -2.385 429 1HB LYS 54 2HB LYS 54 -11.859 7.989 -2.007 430 2HB LYS 54 1HB LYS 54 -10.267 7.507 -1.420 431 1HG LYS 54 2HG LYS 54 -11.455 8.051 0.551 432 2HG LYS 54 1HG LYS 54 -10.492 9.491 0.226 433 1HD LYS 54 2HD LYS 54 -12.493 10.420 -1.026 434 2HD LYS 54 1HD LYS 54 -13.425 9.067 -0.386 435 1HE LYS 54 2HE LYS 54 -11.839 10.907 1.411 436 2HE LYS 54 1HE LYS 54 -13.508 11.253 0.959 437 1HZ LYS 54 1HZ LYS 54 -13.338 10.029 3.057 438 2HZ LYS 54 2HZ LYS 54 -12.581 8.743 2.246 439 3HZ LYS 54 3HZ LYS 54 -14.189 9.153 1.879 440 H VAL 55 H VAL 55 -7.973 8.535 -2.848 441 HA VAL 55 HA VAL 55 -6.565 9.350 -0.519 442 HB VAL 55 HB VAL 55 -4.514 9.013 -1.926 443 1HG1 VAL 55 1HG1 VAL 55 -6.369 7.146 -1.043 444 2HG1 VAL 55 2HG1 VAL 55 -4.741 6.786 -1.611 445 3HG1 VAL 55 3HG1 VAL 55 -6.103 6.683 -2.723 446 1HG2 VAL 55 1HG2 VAL 55 -6.431 8.292 -4.146 447 2HG2 VAL 55 2HG2 VAL 55 -4.684 8.505 -4.238 448 3HG2 VAL 55 3HG2 VAL 55 -5.731 9.906 -4.014 449 H GLU 56 H GLU 56 -5.290 11.161 -0.069 450 HA GLU 56 HA GLU 56 -5.747 13.518 -1.847 451 1HB GLU 56 2HB GLU 56 -6.529 13.588 0.584 452 2HB GLU 56 1HB GLU 56 -4.824 13.563 1.037 453 1HG GLU 56 2HG GLU 56 -4.424 15.604 -0.262 454 2HG GLU 56 1HG GLU 56 -6.110 15.621 -0.782 455 H GLU 57 H GLU 57 -3.958 14.586 -2.691 456 HA GLU 57 HA GLU 57 -1.500 13.268 -3.013 457 1HB GLU 57 2HB GLU 57 -0.583 15.493 -3.683 458 2HB GLU 57 1HB GLU 57 -2.136 15.140 -4.439 459 1HG GLU 57 2HG GLU 57 -3.016 16.365 -2.204 460 2HG GLU 57 1HG GLU 57 -1.454 17.165 -2.371 461 H GLY 58 H GLY 58 -0.426 12.520 -1.241 462 1HA GLY 58 2HA GLY 58 1.464 13.232 0.242 463 2HA GLY 58 1HA GLY 58 0.422 14.544 0.790 464 H ASP 59 H ASP 59 -1.177 11.508 0.285 465 HA ASP 59 HA ASP 59 -1.441 11.235 3.232 466 1HB ASP 59 2HB ASP 59 -3.421 9.919 2.790 467 2HB ASP 59 1HB ASP 59 -3.506 11.370 1.797 468 H VAL 60 H VAL 60 -2.122 8.507 3.336 469 HA VAL 60 HA VAL 60 0.239 7.074 2.241 470 HB VAL 60 HB VAL 60 0.345 5.909 4.586 471 1HG1 VAL 60 1HG1 VAL 60 1.403 8.700 4.076 472 2HG1 VAL 60 2HG1 VAL 60 2.186 7.180 3.644 473 3HG1 VAL 60 3HG1 VAL 60 1.994 7.622 5.340 474 1HG2 VAL 60 1HG2 VAL 60 -0.607 6.940 6.390 475 2HG2 VAL 60 2HG2 VAL 60 -1.708 7.601 5.180 476 3HG2 VAL 60 3HG2 VAL 60 -0.334 8.555 5.739 477 H ILE 61 H ILE 61 -0.515 5.277 1.249 478 HA ILE 61 HA ILE 61 -3.182 4.228 2.049 479 HB ILE 61 HB ILE 61 -1.482 3.619 -0.388 480 1HG1 ILE 61 2HG1 ILE 61 -4.030 5.209 -0.399 481 2HG1 ILE 61 1HG1 ILE 61 -2.514 6.005 0.022 482 1HG2 ILE 61 1HG2 ILE 61 -4.340 2.921 0.344 483 2HG2 ILE 61 2HG2 ILE 61 -3.009 1.792 0.082 484 3HG2 ILE 61 3HG2 ILE 61 -3.657 2.720 -1.271 485 1HD1 ILE 61 1HD1 ILE 61 -1.515 5.301 -2.093 486 2HD1 ILE 61 2HD1 ILE 61 -3.022 6.160 -2.412 487 3HD1 ILE 61 3HD1 ILE 61 -2.972 4.401 -2.510 488 H LEU 62 H LEU 62 -2.719 2.918 3.830 489 HA LEU 62 HA LEU 62 -0.492 1.025 3.794 490 1HB LEU 62 2HB LEU 62 -1.919 2.187 5.806 491 2HB LEU 62 1HB LEU 62 -2.709 0.613 5.722 492 HG LEU 62 HG LEU 62 0.284 0.713 5.678 493 1HD1 LEU 62 1HD1 LEU 62 0.108 0.506 8.246 494 2HD1 LEU 62 2HD1 LEU 62 -1.492 1.223 8.064 495 3HD1 LEU 62 3HD1 LEU 62 -0.063 2.119 7.553 496 1HD2 LEU 62 1HD2 LEU 62 -0.955 -1.410 5.362 497 2HD2 LEU 62 2HD2 LEU 62 -1.754 -1.167 6.914 498 3HD2 LEU 62 3HD2 LEU 62 -0.012 -1.436 6.852 499 H VAL 63 H VAL 63 -0.689 -0.620 2.319 500 HA VAL 63 HA VAL 63 -3.352 -1.928 2.022 501 HB VAL 63 HB VAL 63 -2.315 -1.053 -0.044 502 1HG1 VAL 63 1HG1 VAL 63 0.037 -1.242 0.566 503 2HG1 VAL 63 2HG1 VAL 63 -0.257 -2.166 -0.907 504 3HG1 VAL 63 3HG1 VAL 63 -0.093 -2.999 0.639 505 1HG2 VAL 63 1HG2 VAL 63 -2.257 -4.085 0.020 506 2HG2 VAL 63 2HG2 VAL 63 -2.560 -3.063 -1.385 507 3HG2 VAL 63 3HG2 VAL 63 -3.735 -3.126 -0.072 508 H LYS 64 H LYS 64 -3.343 -4.317 1.816 509 HA LYS 64 HA LYS 64 -1.048 -5.661 3.156 510 1HB LYS 64 2HB LYS 64 -2.784 -5.148 4.879 511 2HB LYS 64 1HB LYS 64 -3.955 -6.066 3.934 512 1HG LYS 64 2HG LYS 64 -2.940 -8.104 4.398 513 2HG LYS 64 1HG LYS 64 -1.358 -7.371 4.672 514 1HD LYS 64 2HD LYS 64 -2.503 -6.224 6.712 515 2HD LYS 64 1HD LYS 64 -3.726 -7.482 6.526 516 1HE LYS 64 2HE LYS 64 -1.498 -9.003 6.370 517 2HE LYS 64 1HE LYS 64 -0.899 -7.709 7.410 518 1HZ LYS 64 1HZ LYS 64 -3.462 -9.103 7.915 519 2HZ LYS 64 2HZ LYS 64 -2.582 -8.109 8.976 520 3HZ LYS 64 3HZ LYS 64 -1.988 -9.645 8.560 521 H LYS 65 H LYS 65 -1.137 -8.053 2.819 522 HA LYS 65 HA LYS 65 -2.722 -8.786 0.390 523 1HB LYS 65 2HB LYS 65 -0.287 -8.410 -0.101 524 2HB LYS 65 1HB LYS 65 0.095 -9.707 1.031 525 1HG LYS 65 2HG LYS 65 -1.162 -11.309 -0.303 526 2HG LYS 65 1HG LYS 65 -1.700 -10.029 -1.390 527 1HD LYS 65 2HD LYS 65 1.234 -10.576 -0.939 528 2HD LYS 65 1HD LYS 65 0.309 -11.456 -2.157 529 1HE LYS 65 2HE LYS 65 -0.439 -8.879 -2.692 530 2HE LYS 65 1HE LYS 65 1.224 -8.647 -2.154 531 1HZ LYS 65 1HZ LYS 65 0.971 -9.085 -4.573 532 2HZ LYS 65 2HZ LYS 65 0.421 -10.646 -4.191 533 3HZ LYS 65 3HZ LYS 65 1.999 -10.174 -3.775 534 H LEU 66 H LEU 66 -4.297 -9.848 1.702 535 HA LEU 66 HA LEU 66 -3.607 -11.805 3.710 536 1HB LEU 66 2HB LEU 66 -6.084 -10.933 2.302 537 2HB LEU 66 1HB LEU 66 -6.102 -12.547 3.015 538 HG LEU 66 HG LEU 66 -4.986 -10.367 4.704 539 1HD1 LEU 66 1HD1 LEU 66 -6.855 -9.130 3.935 540 2HD1 LEU 66 2HD1 LEU 66 -7.416 -9.879 5.430 541 3HD1 LEU 66 3HD1 LEU 66 -7.882 -10.562 3.872 542 1HD2 LEU 66 1HD2 LEU 66 -5.084 -12.351 5.883 543 2HD2 LEU 66 2HD2 LEU 66 -6.484 -12.936 4.984 544 3HD2 LEU 66 3HD2 LEU 66 -6.693 -11.731 6.254 545 H ASP 67 H ASP 67 -4.719 -12.102 0.326 546 HA ASP 67 HA ASP 67 -3.494 -14.832 0.284 547 1HB ASP 67 2HB ASP 67 -6.170 -13.880 -0.665 548 2HB ASP 67 1HB ASP 67 -5.356 -15.145 -1.587 549 H ARG 68 H ARG 68 -4.465 -12.004 -1.654 550 HA ARG 68 HA ARG 68 -1.988 -11.912 -3.089 551 1HB ARG 68 2HB ARG 68 -3.516 -13.962 -4.027 552 2HB ARG 68 1HB ARG 68 -4.100 -12.641 -5.039 553 1HG ARG 68 2HG ARG 68 -2.089 -12.393 -6.114 554 2HG ARG 68 1HG ARG 68 -1.153 -12.830 -4.684 555 1HD ARG 68 2HD ARG 68 -2.386 -15.195 -5.171 556 2HD ARG 68 1HD ARG 68 -2.272 -14.567 -6.814 557 HE ARG 68 HE ARG 68 0.033 -14.988 -6.723 558 1HH1 ARG 68 1HH2 ARG 68 -1.226 -14.655 -3.477 559 2HH1 ARG 68 2HH2 ARG 68 0.293 -15.035 -2.742 560 1HH2 ARG 68 1HH1 ARG 68 1.978 -15.473 -5.729 561 2HH2 ARG 68 2HH1 ARG 68 2.088 -15.494 -3.999 562 H LEU 69 H LEU 69 -1.809 -9.845 -3.833 563 HA LEU 69 HA LEU 69 -3.947 -7.961 -3.490 564 1HB LEU 69 2HB LEU 69 -1.145 -7.912 -4.289 565 2HB LEU 69 1HB LEU 69 -2.101 -6.803 -5.270 566 HG LEU 69 HG LEU 69 -2.316 -6.880 -2.255 567 1HD1 LEU 69 1HD1 LEU 69 -0.764 -4.757 -3.683 568 2HD1 LEU 69 2HD1 LEU 69 0.029 -6.303 -3.378 569 3HD1 LEU 69 3HD1 LEU 69 -0.592 -5.351 -2.031 570 1HD2 LEU 69 1HD2 LEU 69 -3.292 -5.143 -4.495 571 2HD2 LEU 69 2HD2 LEU 69 -2.954 -4.392 -2.934 572 3HD2 LEU 69 3HD2 LEU 69 -4.145 -5.688 -3.050 573 H GLY 70 H GLY 70 -5.763 -8.366 -4.717 574 1HA GLY 70 2HA GLY 70 -7.115 -8.258 -6.635 575 2HA GLY 70 1HA GLY 70 -5.712 -7.651 -7.513 576 H ARG 71 H ARG 71 -5.439 -8.937 -9.262 577 HA ARG 71 HA ARG 71 -5.366 -11.892 -8.823 578 1HB ARG 71 2HB ARG 71 -6.993 -10.298 -10.725 579 2HB ARG 71 1HB ARG 71 -6.220 -11.730 -11.399 580 1HG ARG 71 2HG ARG 71 -7.574 -13.147 -10.253 581 2HG ARG 71 1HG ARG 71 -7.466 -12.195 -8.772 582 1HD ARG 71 2HD ARG 71 -9.663 -11.756 -9.256 583 2HD ARG 71 1HD ARG 71 -8.945 -10.506 -10.272 584 HE ARG 71 HE ARG 71 -9.616 -11.732 -12.170 585 1HH1 ARG 71 1HH2 ARG 71 -9.761 -13.750 -9.316 586 2HH1 ARG 71 2HH2 ARG 71 -10.535 -15.049 -10.153 587 1HH2 ARG 71 1HH1 ARG 71 -10.618 -13.438 -13.211 588 2HH2 ARG 71 2HH1 ARG 71 -11.016 -14.878 -12.334 589 H ASP 72 H ASP 72 -4.521 -12.721 -11.281 590 HA ASP 72 HA ASP 72 -1.751 -12.167 -11.312 591 1HB ASP 72 2HB ASP 72 -3.262 -14.013 -12.525 592 2HB ASP 72 1HB ASP 72 -3.069 -12.906 -13.884 593 H THR 73 H THR 73 -4.404 -10.465 -12.845 594 HA THR 73 HA THR 73 -2.950 -8.997 -14.812 595 HB THR 73 HB THR 73 -5.297 -7.941 -13.214 596 HG1 THR 73 1HG THR 73 -6.401 -9.506 -14.022 597 1HG2 THR 73 1HG2 THR 73 -5.803 -7.072 -15.622 598 2HG2 THR 73 2HG2 THR 73 -4.096 -7.399 -15.918 599 3HG2 THR 73 3HG2 THR 73 -4.570 -6.251 -14.666 600 H ALA 74 H ALA 74 -2.500 -6.565 -14.609 601 HA ALA 74 HA ALA 74 -0.674 -6.099 -12.433 602 1HB ALA 74 1HB ALA 74 -1.737 -4.508 -14.729 603 2HB ALA 74 2HB ALA 74 -0.067 -4.847 -14.276 604 3HB ALA 74 3HB ALA 74 -0.988 -3.625 -13.399 605 H ASP 75 H ASP 75 -2.233 -6.569 -10.659 606 HA ASP 75 HA ASP 75 -4.209 -4.426 -10.119 607 1HB ASP 75 2HB ASP 75 -3.736 -7.195 -9.123 608 2HB ASP 75 1HB ASP 75 -4.454 -6.048 -7.991 609 H MET 76 H MET 76 -1.061 -5.552 -9.098 610 HA MET 76 HA MET 76 -1.107 -3.637 -6.819 611 1HB MET 76 2HB MET 76 1.362 -5.208 -7.124 612 2HB MET 76 1HB MET 76 0.358 -4.965 -5.704 613 1HG MET 76 2HG MET 76 -0.011 -7.213 -5.996 614 2HG MET 76 1HG MET 76 -1.272 -6.618 -7.070 615 1HE MET 76 1HE MET 76 1.898 -8.263 -6.441 616 2HE MET 76 2HE MET 76 2.317 -9.111 -7.927 617 3HE MET 76 3HE MET 76 0.836 -9.529 -7.072 618 H ILE 77 H ILE 77 -0.405 -3.475 -10.020 619 HA ILE 77 HA ILE 77 1.908 -1.648 -9.561 620 HB ILE 77 HB ILE 77 1.194 -3.233 -12.048 621 1HG1 ILE 77 2HG1 ILE 77 3.636 -4.116 -11.260 622 2HG1 ILE 77 1HG1 ILE 77 2.931 -3.738 -9.689 623 1HG2 ILE 77 1HG2 ILE 77 3.794 -2.418 -12.315 624 2HG2 ILE 77 2HG2 ILE 77 3.080 -1.031 -11.492 625 3HG2 ILE 77 3HG2 ILE 77 2.413 -1.586 -13.027 626 1HD1 ILE 77 1HD1 ILE 77 2.172 -5.912 -9.961 627 2HD1 ILE 77 2HD1 ILE 77 2.069 -5.767 -11.716 628 3HD1 ILE 77 3HD1 ILE 77 0.838 -5.024 -10.696 629 H GLN 78 H GLN 78 -1.317 -1.980 -10.880 630 HA GLN 78 HA GLN 78 -1.227 0.386 -12.547 631 1HB GLN 78 2HB GLN 78 -2.971 -1.691 -12.331 632 2HB GLN 78 1HB GLN 78 -3.843 -0.451 -11.431 633 1HG GLN 78 2HG GLN 78 -2.678 0.001 -14.190 634 2HG GLN 78 1HG GLN 78 -4.348 -0.492 -13.906 635 1HE2 GLN 78 1HE2 GLN 78 -2.240 2.230 -14.048 636 2HE2 GLN 78 2HE2 GLN 78 -3.326 3.384 -13.438 637 H LEU 79 H LEU 79 -3.224 -0.093 -9.599 638 HA LEU 79 HA LEU 79 -3.509 2.708 -9.117 639 1HB LEU 79 2HB LEU 79 -4.267 2.042 -6.852 640 2HB LEU 79 1HB LEU 79 -5.038 1.082 -8.111 641 HG LEU 79 HG LEU 79 -2.528 -0.125 -7.237 642 1HD1 LEU 79 1HD1 LEU 79 -4.697 0.322 -5.170 643 2HD1 LEU 79 2HD1 LEU 79 -3.031 0.894 -5.082 644 3HD1 LEU 79 3HD1 LEU 79 -3.375 -0.834 -5.000 645 1HD2 LEU 79 1HD2 LEU 79 -4.262 -2.007 -6.752 646 2HD2 LEU 79 2HD2 LEU 79 -4.012 -1.500 -8.422 647 3HD2 LEU 79 3HD2 LEU 79 -5.413 -0.918 -7.524 648 H ILE 80 H ILE 80 -0.963 0.449 -8.332 649 HA ILE 80 HA ILE 80 0.279 1.985 -6.249 650 HB ILE 80 HB ILE 80 1.157 -0.239 -8.086 651 1HG1 ILE 80 2HG1 ILE 80 1.626 -1.264 -5.802 652 2HG1 ILE 80 1HG1 ILE 80 0.870 0.167 -5.103 653 1HG2 ILE 80 1HG2 ILE 80 3.002 1.241 -6.179 654 2HG2 ILE 80 2HG2 ILE 80 3.147 1.223 -7.937 655 3HG2 ILE 80 3HG2 ILE 80 3.387 -0.262 -7.018 656 1HD1 ILE 80 1HD1 ILE 80 -1.229 -0.453 -5.764 657 2HD1 ILE 80 2HD1 ILE 80 -0.516 -2.065 -5.742 658 3HD1 ILE 80 3HD1 ILE 80 -0.655 -1.184 -7.261 659 H LYS 81 H LYS 81 0.501 1.987 -9.791 660 HA LYS 81 HA LYS 81 2.617 4.012 -9.829 661 1HB LYS 81 2HB LYS 81 1.307 2.289 -11.740 662 2HB LYS 81 1HB LYS 81 1.236 3.950 -12.327 663 1HG LYS 81 2HG LYS 81 3.335 3.515 -13.097 664 2HG LYS 81 1HG LYS 81 3.814 3.837 -11.430 665 1HD LYS 81 2HD LYS 81 4.799 1.752 -11.819 666 2HD LYS 81 1HD LYS 81 3.271 1.298 -11.067 667 1HE LYS 81 2HE LYS 81 2.435 0.405 -12.994 668 2HE LYS 81 1HE LYS 81 3.181 1.639 -14.009 669 1HZ LYS 81 1HZ LYS 81 5.135 0.493 -14.136 670 2HZ LYS 81 2HZ LYS 81 4.043 -0.805 -14.041 671 3HZ LYS 81 3HZ LYS 81 4.906 -0.315 -12.662 672 H GLU 82 H GLU 82 -0.895 3.908 -10.007 673 HA GLU 82 HA GLU 82 -1.262 6.663 -10.798 674 1HB GLU 82 2HB GLU 82 -2.944 4.616 -10.760 675 2HB GLU 82 1HB GLU 82 -3.287 5.205 -9.133 676 1HG GLU 82 2HG GLU 82 -4.828 6.405 -10.426 677 2HG GLU 82 1HG GLU 82 -3.483 7.540 -10.296 678 H PHE 83 H PHE 83 -0.904 4.992 -7.710 679 HA PHE 83 HA PHE 83 -1.532 7.369 -6.123 680 1HB PHE 83 2HB PHE 83 -0.375 4.655 -5.449 681 2HB PHE 83 1HB PHE 83 -0.567 5.925 -4.243 682 HD1 PHE 83 1HD PHE 83 -3.106 7.181 -4.906 683 HD2 PHE 83 2HD PHE 83 -2.006 3.031 -5.061 684 HE1 PHE 83 1HE PHE 83 -5.481 6.534 -4.611 685 HE2 PHE 83 2HE PHE 83 -4.384 2.391 -4.766 686 HZ PHE 83 HZ PHE 83 -6.119 4.143 -4.540 687 H ASP 84 H ASP 84 1.362 5.712 -7.292 688 HA ASP 84 HA ASP 84 3.304 7.152 -5.779 689 1HB ASP 84 2HB ASP 84 3.501 5.088 -7.438 690 2HB ASP 84 1HB ASP 84 3.873 6.353 -8.609 691 H ALA 85 H ALA 85 1.614 7.897 -8.782 692 HA ALA 85 HA ALA 85 3.183 10.323 -9.271 693 1HB ALA 85 1HB ALA 85 2.387 9.336 -11.253 694 2HB ALA 85 2HB ALA 85 1.275 10.682 -10.999 695 3HB ALA 85 3HB ALA 85 0.786 9.043 -10.572 696 H GLN 86 H GLN 86 0.306 9.483 -7.491 697 HA GLN 86 HA GLN 86 -0.771 12.194 -7.477 698 1HB GLN 86 2HB GLN 86 -1.588 9.543 -6.565 699 2HB GLN 86 1HB GLN 86 -1.940 10.784 -5.365 700 1HG GLN 86 2HG GLN 86 -2.717 10.970 -8.291 701 2HG GLN 86 1HG GLN 86 -3.805 10.448 -7.004 702 1HE2 GLN 86 1HE2 GLN 86 -2.900 13.165 -8.754 703 2HE2 GLN 86 2HE2 GLN 86 -3.373 14.362 -7.648 704 H GLY 87 H GLY 87 1.944 10.966 -6.032 705 1HA GLY 87 2HA GLY 87 3.287 11.894 -4.335 706 2HA GLY 87 1HA GLY 87 2.044 13.122 -4.085 707 H VAL 88 H VAL 88 1.456 9.648 -3.996 708 HA VAL 88 HA VAL 88 0.791 9.919 -1.092 709 HB VAL 88 HB VAL 88 -0.360 8.027 -3.171 710 1HG1 VAL 88 1HG1 VAL 88 -0.844 8.391 -0.208 711 2HG1 VAL 88 2HG1 VAL 88 -0.478 6.901 -1.079 712 3HG1 VAL 88 3HG1 VAL 88 -2.056 7.666 -1.264 713 1HG2 VAL 88 1HG2 VAL 88 -1.473 10.492 -1.799 714 2HG2 VAL 88 2HG2 VAL 88 -2.440 9.377 -2.763 715 3HG2 VAL 88 3HG2 VAL 88 -1.143 10.301 -3.521 716 H SER 89 H SER 89 1.385 8.180 0.292 717 HA SER 89 HA SER 89 3.571 6.466 -0.809 718 1HB SER 89 2HB SER 89 3.191 7.906 1.766 719 2HB SER 89 1HB SER 89 3.953 6.320 1.861 720 HG SER 89 HG SER 89 5.644 7.064 0.809 721 H ILE 90 H ILE 90 2.721 4.467 -1.224 722 HA ILE 90 HA ILE 90 0.497 3.413 0.364 723 HB ILE 90 HB ILE 90 2.135 1.994 -1.753 724 1HG1 ILE 90 2HG1 ILE 90 -0.397 3.651 -2.027 725 2HG1 ILE 90 1HG1 ILE 90 1.192 4.099 -2.638 726 1HG2 ILE 90 1HG2 ILE 90 0.085 0.616 -1.955 727 2HG2 ILE 90 2HG2 ILE 90 -0.662 1.547 -0.657 728 3HG2 ILE 90 3HG2 ILE 90 0.748 0.540 -0.324 729 1HD1 ILE 90 1HD1 ILE 90 -0.778 2.197 -3.731 730 2HD1 ILE 90 2HD1 ILE 90 0.882 1.605 -3.722 731 3HD1 ILE 90 3HD1 ILE 90 0.489 3.105 -4.557 732 H ARG 91 H ARG 91 1.048 2.773 2.381 733 HA ARG 91 HA ARG 91 3.647 1.597 3.000 734 1HB ARG 91 2HB ARG 91 1.178 2.325 4.514 735 2HB ARG 91 1HB ARG 91 2.240 1.110 5.226 736 1HG ARG 91 2HG ARG 91 4.123 2.860 4.576 737 2HG ARG 91 1HG ARG 91 2.779 3.999 4.655 738 1HD ARG 91 2HD ARG 91 2.435 3.650 6.924 739 2HD ARG 91 1HD ARG 91 3.126 2.030 6.885 740 HE ARG 91 HE ARG 91 5.236 2.985 7.293 741 1HH1 ARG 91 1HH2 ARG 91 3.032 5.427 6.107 742 2HH1 ARG 91 2HH2 ARG 91 4.160 6.713 6.362 743 1HH2 ARG 91 1HH1 ARG 91 6.665 4.680 7.606 744 2HH2 ARG 91 2HH1 ARG 91 6.194 6.296 7.200 745 H PHE 92 H PHE 92 4.125 -0.526 2.727 746 HA PHE 92 HA PHE 92 1.882 -2.445 2.343 747 1HB PHE 92 2HB PHE 92 4.734 -2.318 1.453 748 2HB PHE 92 1HB PHE 92 4.020 -3.912 1.698 749 HD1 PHE 92 1HD PHE 92 3.208 -0.610 0.107 750 HD2 PHE 92 2HD PHE 92 2.831 -4.886 -0.053 751 HE1 PHE 92 1HE PHE 92 2.041 -0.425 -2.073 752 HE2 PHE 92 2HE PHE 92 1.664 -4.701 -2.233 753 HZ PHE 92 HZ PHE 92 1.270 -2.471 -3.244 754 H ILE 93 H ILE 93 1.313 -3.519 4.170 755 HA ILE 93 HA ILE 93 2.848 -3.629 6.561 756 HB ILE 93 HB ILE 93 0.417 -4.017 6.501 757 1HG1 ILE 93 2HG1 ILE 93 0.391 -6.153 7.900 758 2HG1 ILE 93 1HG1 ILE 93 2.116 -6.286 7.567 759 1HG2 ILE 93 1HG2 ILE 93 -0.588 -5.621 5.242 760 2HG2 ILE 93 2HG2 ILE 93 0.662 -6.817 5.586 761 3HG2 ILE 93 3HG2 ILE 93 0.923 -5.603 4.334 762 1HD1 ILE 93 1HD1 ILE 93 2.296 -5.031 9.470 763 2HD1 ILE 93 2HD1 ILE 93 0.670 -4.371 9.310 764 3HD1 ILE 93 3HD1 ILE 93 1.992 -3.695 8.360 765 H ASP 94 H ASP 94 2.976 -5.586 3.672 766 HA ASP 94 HA ASP 94 4.412 -7.801 4.915 767 1HB ASP 94 2HB ASP 94 3.004 -7.604 2.620 768 2HB ASP 94 1HB ASP 94 4.627 -7.335 1.985 769 H ASP 95 H ASP 95 5.249 -4.768 3.346 770 HA ASP 95 HA ASP 95 8.138 -5.460 3.727 771 1HB ASP 95 2HB ASP 95 6.963 -4.878 1.332 772 2HB ASP 95 1HB ASP 95 7.469 -3.269 1.847 773 H GLY 96 H GLY 96 6.260 -2.451 3.202 774 1HA GLY 96 2HA GLY 96 6.210 -1.270 5.650 775 2HA GLY 96 1HA GLY 96 7.909 -1.078 5.214 776 H ILE 97 H ILE 97 7.227 -0.846 2.317 777 HA ILE 97 HA ILE 97 5.787 1.749 2.280 778 HB ILE 97 HB ILE 97 7.574 2.670 0.784 779 1HG1 ILE 97 2HG1 ILE 97 9.236 0.336 1.755 780 2HG1 ILE 97 1HG1 ILE 97 8.416 0.322 0.192 781 1HG2 ILE 97 1HG2 ILE 97 7.450 2.785 3.434 782 2HG2 ILE 97 2HG2 ILE 97 8.843 3.433 2.568 783 3HG2 ILE 97 3HG2 ILE 97 8.935 1.839 3.318 784 1HD1 ILE 97 1HD1 ILE 97 9.776 1.973 -0.692 785 2HD1 ILE 97 2HD1 ILE 97 10.914 1.212 0.419 786 3HD1 ILE 97 3HD1 ILE 97 10.092 2.702 0.882 787 H SER 98 H SER 98 5.949 2.400 -0.335 788 HA SER 98 HA SER 98 4.175 0.578 -1.624 789 1HB SER 98 2HB SER 98 4.895 1.915 -3.723 790 2HB SER 98 1HB SER 98 4.114 2.800 -2.416 791 HG SER 98 HG SER 98 6.724 2.875 -3.331 792 H THR 99 H THR 99 4.593 -0.739 -3.540 793 HA THR 99 HA THR 99 6.976 -2.361 -3.277 794 HB THR 99 HB THR 99 4.911 -3.388 -4.040 795 HG1 THR 99 1HG THR 99 6.672 -3.200 -6.251 796 1HG2 THR 99 1HG2 THR 99 4.945 -1.084 -5.902 797 2HG2 THR 99 2HG2 THR 99 3.577 -1.933 -5.180 798 3HG2 THR 99 3HG2 THR 99 4.392 -2.610 -6.590 799 H ASP 100 H ASP 100 8.425 -0.371 -3.537 800 HA ASP 100 HA ASP 100 8.719 0.799 -6.175 801 1HB ASP 100 2HB ASP 100 9.441 1.922 -4.052 802 2HB ASP 100 1HB ASP 100 10.730 0.727 -3.905 803 H GLY 101 H GLY 101 8.760 -1.351 -7.313 804 1HA GLY 101 2HA GLY 101 10.010 -2.860 -8.613 805 2HA GLY 101 1HA GLY 101 11.471 -2.059 -8.030 806 H GLU 102 H GLU 102 8.930 -4.326 -6.950 807 HA GLU 102 HA GLU 102 10.381 -5.303 -4.675 808 1HB GLU 102 2HB GLU 102 8.014 -6.190 -6.260 809 2HB GLU 102 1HB GLU 102 8.804 -7.399 -5.245 810 1HG GLU 102 2HG GLU 102 8.267 -4.718 -4.043 811 2HG GLU 102 1HG GLU 102 6.894 -5.801 -4.277 812 H MET 103 H MET 103 10.664 -7.973 -4.813 813 HA MET 103 HA MET 103 12.792 -8.307 -6.856 814 1HB MET 103 2HB MET 103 12.268 -9.422 -4.145 815 2HB MET 103 1HB MET 103 13.080 -10.481 -5.299 816 1HG MET 103 2HG MET 103 14.571 -8.364 -5.758 817 2HG MET 103 1HG MET 103 14.002 -7.857 -4.169 818 1HE MET 103 1HE MET 103 15.623 -7.679 -2.970 819 2HE MET 103 2HE MET 103 16.966 -8.751 -2.586 820 3HE MET 103 3HE MET 103 15.414 -8.973 -1.783 821 H GLY 104 H GLY 104 11.319 -8.761 -8.616 822 1HA GLY 104 2HA GLY 104 9.302 -10.776 -8.556 823 2HA GLY 104 1HA GLY 104 10.105 -10.198 -10.016 824 H LYS 105 H LYS 105 12.784 -10.968 -8.932 825 HA LYS 105 HA LYS 105 12.525 -13.941 -9.058 826 1HB LYS 105 2HB LYS 105 14.529 -14.005 -10.512 827 2HB LYS 105 1HB LYS 105 13.208 -13.123 -11.275 828 1HG LYS 105 2HG LYS 105 14.508 -11.121 -9.892 829 2HG LYS 105 1HG LYS 105 15.846 -12.155 -10.388 830 1HD LYS 105 2HD LYS 105 15.710 -10.975 -12.335 831 2HD LYS 105 1HD LYS 105 14.391 -12.089 -12.692 832 1HE LYS 105 2HE LYS 105 13.680 -9.706 -11.067 833 2HE LYS 105 1HE LYS 105 14.096 -9.400 -12.754 834 1HZ LYS 105 1HZ LYS 105 12.220 -11.559 -12.031 835 2HZ LYS 105 2HZ LYS 105 12.384 -10.736 -13.508 836 3HZ LYS 105 3HZ LYS 105 11.679 -9.958 -12.172 Start of MODEL 4 1 1H MET 1 1HT MET 1 -1.676 15.465 6.708 2 HA MET 1 HA MET 1 -2.187 13.547 5.072 3 1HB MET 1 2HB MET 1 -0.341 13.947 7.054 4 2HB MET 1 1HB MET 1 -1.084 12.440 7.587 5 1HG MET 1 2HG MET 1 -0.754 11.582 5.211 6 2HG MET 1 1HG MET 1 0.244 13.007 4.931 7 1HE MET 1 1HE MET 1 0.744 9.255 7.136 8 2HE MET 1 2HE MET 1 -0.687 10.279 7.061 9 3HE MET 1 3HE MET 1 0.422 10.426 8.422 10 H ARG 2 H ARG 2 -3.171 11.487 4.949 11 HA ARG 2 HA ARG 2 -5.089 10.854 7.157 12 1HB ARG 2 2HB ARG 2 -5.507 11.105 4.226 13 2HB ARG 2 1HB ARG 2 -6.310 9.747 5.012 14 1HG ARG 2 2HG ARG 2 -7.860 11.107 5.919 15 2HG ARG 2 1HG ARG 2 -6.614 12.135 6.626 16 1HD ARG 2 2HD ARG 2 -6.385 13.344 4.495 17 2HD ARG 2 1HD ARG 2 -7.605 12.303 3.763 18 HE ARG 2 HE ARG 2 -8.878 13.361 5.986 19 1HH1 ARG 2 1HH2 ARG 2 -7.203 14.705 3.225 20 2HH1 ARG 2 2HH2 ARG 2 -8.154 16.148 3.225 21 1HH2 ARG 2 1HH1 ARG 2 -10.085 15.244 5.948 22 2HH2 ARG 2 2HH1 ARG 2 -9.770 16.452 4.748 23 H LEU 3 H LEU 3 -5.514 8.590 7.466 24 HA LEU 3 HA LEU 3 -3.280 6.857 6.510 25 1HB LEU 3 2HB LEU 3 -5.163 6.437 8.853 26 2HB LEU 3 1HB LEU 3 -3.745 5.464 8.465 27 HG LEU 3 HG LEU 3 -3.294 8.391 8.741 28 1HD1 LEU 3 1HD1 LEU 3 -3.931 6.572 11.082 29 2HD1 LEU 3 2HD1 LEU 3 -4.792 8.040 10.619 30 3HD1 LEU 3 3HD1 LEU 3 -3.142 8.142 11.235 31 1HD2 LEU 3 1HD2 LEU 3 -1.413 7.114 10.222 32 2HD2 LEU 3 2HD2 LEU 3 -1.273 7.343 8.478 33 3HD2 LEU 3 3HD2 LEU 3 -1.867 5.813 9.122 34 H PHE 4 H PHE 4 -4.463 6.553 4.450 35 HA PHE 4 HA PHE 4 -7.041 5.161 4.512 36 1HB PHE 4 2HB PHE 4 -5.105 5.922 2.320 37 2HB PHE 4 1HB PHE 4 -6.514 4.910 2.000 38 HD1 PHE 4 1HD PHE 4 -8.785 5.798 2.205 39 HD2 PHE 4 2HD PHE 4 -5.352 8.265 2.968 40 HE1 PHE 4 1HE PHE 4 -10.218 7.820 2.109 41 HE2 PHE 4 2HE PHE 4 -6.786 10.287 2.874 42 HZ PHE 4 HZ PHE 4 -9.218 10.065 2.444 43 H GLY 5 H GLY 5 -7.343 2.953 4.328 44 1HA GLY 5 2HA GLY 5 -4.919 1.266 3.890 45 2HA GLY 5 1HA GLY 5 -6.007 0.927 5.234 46 H TYR 6 H TYR 6 -5.260 -0.194 2.300 47 HA TYR 6 HA TYR 6 -7.990 -0.597 1.258 48 1HB TYR 6 2HB TYR 6 -6.000 -0.227 -0.250 49 2HB TYR 6 1HB TYR 6 -5.379 -1.791 0.275 50 HD1 TYR 6 1HD TYR 6 -8.809 -0.554 -0.629 51 HD2 TYR 6 2HD TYR 6 -5.670 -3.383 -1.396 52 HE1 TYR 6 1HE TYR 6 -10.239 -1.691 -2.299 53 HE2 TYR 6 2HE TYR 6 -7.102 -4.520 -3.070 54 HH TYR 6 HH TYR 6 -9.848 -3.153 -4.365 55 H ALA 7 H ALA 7 -9.018 -2.672 1.190 56 HA ALA 7 HA ALA 7 -7.680 -4.932 2.548 57 1HB ALA 7 1HB ALA 7 -10.062 -5.033 3.860 58 2HB ALA 7 2HB ALA 7 -9.832 -3.289 3.750 59 3HB ALA 7 3HB ALA 7 -8.610 -4.291 4.530 60 H ARG 8 H ARG 8 -7.914 -6.063 0.554 61 HA ARG 8 HA ARG 8 -10.650 -6.443 -0.520 62 1HB ARG 8 2HB ARG 8 -8.248 -6.291 -1.789 63 2HB ARG 8 1HB ARG 8 -8.388 -8.039 -1.605 64 1HG ARG 8 2HG ARG 8 -10.878 -6.726 -2.495 65 2HG ARG 8 1HG ARG 8 -9.544 -6.581 -3.638 66 1HD ARG 8 2HD ARG 8 -10.627 -9.149 -2.451 67 2HD ARG 8 1HD ARG 8 -10.792 -8.613 -4.122 68 HE ARG 8 HE ARG 8 -8.022 -8.690 -3.510 69 1HH1 ARG 8 1HH2 ARG 8 -10.728 -10.874 -3.880 70 2HH1 ARG 8 2HH2 ARG 8 -9.727 -12.188 -4.389 71 1HH2 ARG 8 1HH1 ARG 8 -6.764 -10.418 -4.174 72 2HH2 ARG 8 2HH1 ARG 8 -7.507 -11.935 -4.554 73 H VAL 9 H VAL 9 -11.842 -7.883 0.647 74 HA VAL 9 HA VAL 9 -10.867 -9.844 2.418 75 HB VAL 9 HB VAL 9 -13.114 -10.896 2.212 76 1HG1 VAL 9 1HG1 VAL 9 -12.587 -8.757 3.540 77 2HG1 VAL 9 2HG1 VAL 9 -14.284 -9.083 3.183 78 3HG1 VAL 9 3HG1 VAL 9 -13.394 -7.894 2.231 79 1HG2 VAL 9 1HG2 VAL 9 -14.644 -9.310 0.679 80 2HG2 VAL 9 2HG2 VAL 9 -13.872 -10.764 0.047 81 3HG2 VAL 9 3HG2 VAL 9 -13.134 -9.185 -0.225 82 H SER 10 H SER 10 -11.709 -12.285 1.969 83 HA SER 10 HA SER 10 -11.078 -13.284 -0.700 84 1HB SER 10 2HB SER 10 -8.813 -12.859 0.304 85 2HB SER 10 1HB SER 10 -9.220 -13.989 1.593 86 HG SER 10 HG SER 10 -8.738 -14.444 -1.131 87 H THR 11 H THR 11 -11.452 -14.065 2.764 88 HA THR 11 HA THR 11 -12.513 -16.720 2.120 89 HB THR 11 HB THR 11 -11.142 -16.403 4.145 90 HG1 THR 11 1HG THR 11 -12.375 -17.695 5.322 91 1HG2 THR 11 1HG2 THR 11 -13.075 -14.231 4.584 92 2HG2 THR 11 2HG2 THR 11 -11.432 -14.419 5.196 93 3HG2 THR 11 3HG2 THR 11 -12.775 -15.220 6.012 94 H SER 12 H SER 12 -14.587 -16.826 4.114 95 HA SER 12 HA SER 12 -16.637 -15.033 2.864 96 1HB SER 12 2HB SER 12 -18.187 -16.838 2.857 97 2HB SER 12 1HB SER 12 -16.685 -17.518 2.245 98 HG SER 12 HG SER 12 -16.405 -18.601 4.074 99 H GLN 13 H GLN 13 -15.723 -16.865 5.746 100 HA GLN 13 HA GLN 13 -17.764 -16.239 7.514 101 1HB GLN 13 2HB GLN 13 -15.865 -17.717 8.006 102 2HB GLN 13 1HB GLN 13 -14.799 -16.319 8.116 103 1HG GLN 13 2HG GLN 13 -15.997 -15.466 10.035 104 2HG GLN 13 1HG GLN 13 -17.263 -16.680 9.845 105 1HE2 GLN 13 1HE2 GLN 13 -17.017 -18.122 11.568 106 2HE2 GLN 13 2HE2 GLN 13 -15.542 -18.816 12.044 107 H GLN 14 H GLN 14 -14.710 -14.375 7.814 108 HA GLN 14 HA GLN 14 -16.219 -11.845 7.713 109 1HB GLN 14 2HB GLN 14 -15.429 -11.149 9.975 110 2HB GLN 14 1HB GLN 14 -16.545 -12.512 10.041 111 1HG GLN 14 2HG GLN 14 -14.223 -13.870 9.832 112 2HG GLN 14 1HG GLN 14 -13.634 -12.419 10.645 113 1HE2 GLN 14 1HE2 GLN 14 -13.979 -15.195 11.771 114 2HE2 GLN 14 2HE2 GLN 14 -15.010 -15.011 13.106 115 H SER 15 H SER 15 -14.452 -12.326 5.859 116 HA SER 15 HA SER 15 -11.691 -11.823 6.495 117 1HB SER 15 2HB SER 15 -11.985 -10.961 3.890 118 2HB SER 15 1HB SER 15 -11.670 -12.622 4.373 119 HG SER 15 HG SER 15 -13.487 -12.667 3.125 120 H LEU 16 H LEU 16 -14.372 -9.716 5.498 121 HA LEU 16 HA LEU 16 -12.882 -7.304 5.223 122 1HB LEU 16 2HB LEU 16 -15.127 -7.362 4.393 123 2HB LEU 16 1HB LEU 16 -15.770 -7.860 5.952 124 HG LEU 16 HG LEU 16 -14.287 -5.297 5.996 125 1HD1 LEU 16 1HD1 LEU 16 -16.111 -4.018 4.961 126 2HD1 LEU 16 2HD1 LEU 16 -16.973 -5.511 4.594 127 3HD1 LEU 16 3HD1 LEU 16 -15.442 -5.158 3.793 128 1HD2 LEU 16 1HD2 LEU 16 -15.417 -5.810 7.981 129 2HD2 LEU 16 2HD2 LEU 16 -16.810 -6.481 7.132 130 3HD2 LEU 16 3HD2 LEU 16 -16.563 -4.736 7.181 131 H ASP 17 H ASP 17 -14.402 -8.806 8.065 132 HA ASP 17 HA ASP 17 -13.804 -6.653 9.882 133 1HB ASP 17 2HB ASP 17 -15.343 -8.856 10.068 134 2HB ASP 17 1HB ASP 17 -13.909 -9.443 10.910 135 H ILE 18 H ILE 18 -12.175 -9.769 9.246 136 HA ILE 18 HA ILE 18 -9.982 -9.338 11.030 137 HB ILE 18 HB ILE 18 -9.995 -10.937 8.449 138 1HG1 ILE 18 2HG1 ILE 18 -10.390 -12.249 11.087 139 2HG1 ILE 18 1HG1 ILE 18 -11.751 -11.303 10.489 140 1HG2 ILE 18 1HG2 ILE 18 -8.310 -12.307 9.792 141 2HG2 ILE 18 2HG2 ILE 18 -8.258 -10.956 10.926 142 3HG2 ILE 18 3HG2 ILE 18 -7.755 -10.722 9.252 143 1HD1 ILE 18 1HD1 ILE 18 -10.575 -13.810 9.415 144 2HD1 ILE 18 2HD1 ILE 18 -11.091 -12.619 8.220 145 3HD1 ILE 18 3HD1 ILE 18 -12.246 -13.251 9.393 146 H GLN 19 H GLN 19 -10.489 -8.505 7.619 147 HA GLN 19 HA GLN 19 -7.836 -7.597 7.078 148 1HB GLN 19 2HB GLN 19 -10.532 -7.099 5.861 149 2HB GLN 19 1HB GLN 19 -9.147 -6.149 5.329 150 1HG GLN 19 2HG GLN 19 -8.724 -9.085 5.538 151 2HG GLN 19 1HG GLN 19 -9.780 -8.538 4.236 152 1HE2 GLN 19 1HE2 GLN 19 -8.824 -7.449 2.458 153 2HE2 GLN 19 2HE2 GLN 19 -7.156 -7.172 2.322 154 H VAL 20 H VAL 20 -10.779 -5.674 7.883 155 HA VAL 20 HA VAL 20 -9.544 -3.148 8.086 156 HB VAL 20 HB VAL 20 -11.848 -4.303 9.694 157 1HG1 VAL 20 1HG1 VAL 20 -12.297 -1.626 9.680 158 2HG1 VAL 20 2HG1 VAL 20 -10.535 -1.640 9.763 159 3HG1 VAL 20 3HG1 VAL 20 -11.485 -2.461 11.003 160 1HG2 VAL 20 1HG2 VAL 20 -12.829 -2.413 7.935 161 2HG2 VAL 20 2HG2 VAL 20 -12.819 -4.151 7.645 162 3HG2 VAL 20 3HG2 VAL 20 -11.521 -3.145 7.005 163 H ARG 21 H ARG 21 -9.889 -5.645 10.614 164 HA ARG 21 HA ARG 21 -8.573 -4.222 12.710 165 1HB ARG 21 2HB ARG 21 -8.472 -7.216 12.226 166 2HB ARG 21 1HB ARG 21 -8.277 -6.386 13.767 167 1HG ARG 21 2HG ARG 21 -10.785 -5.669 12.425 168 2HG ARG 21 1HG ARG 21 -10.666 -7.396 12.751 169 1HD ARG 21 2HD ARG 21 -11.482 -6.754 14.794 170 2HD ARG 21 1HD ARG 21 -9.775 -6.449 15.114 171 HE ARG 21 HE ARG 21 -10.238 -4.138 15.117 172 1HH1 ARG 21 1HH2 ARG 21 -12.882 -5.900 13.651 173 2HH1 ARG 21 2HH2 ARG 21 -13.894 -4.501 13.556 174 1HH2 ARG 21 1HH1 ARG 21 -11.581 -2.355 14.973 175 2HH2 ARG 21 2HH1 ARG 21 -13.167 -2.515 14.297 176 H ALA 22 H ALA 22 -7.366 -5.956 9.912 177 HA ALA 22 HA ALA 22 -4.604 -6.055 10.823 178 1HB ALA 22 1HB ALA 22 -6.131 -6.852 8.437 179 2HB ALA 22 2HB ALA 22 -4.725 -7.615 9.175 180 3HB ALA 22 3HB ALA 22 -4.511 -6.259 8.070 181 H LEU 23 H LEU 23 -6.570 -3.880 8.822 182 HA LEU 23 HA LEU 23 -4.314 -2.205 8.053 183 1HB LEU 23 2HB LEU 23 -7.125 -1.138 8.130 184 2HB LEU 23 1HB LEU 23 -5.851 -0.819 6.961 185 HG LEU 23 HG LEU 23 -7.540 -3.322 7.199 186 1HD1 LEU 23 1HD1 LEU 23 -8.796 -1.952 5.872 187 2HD1 LEU 23 2HD1 LEU 23 -7.688 -2.527 4.627 188 3HD1 LEU 23 3HD1 LEU 23 -7.411 -0.967 5.400 189 1HD2 LEU 23 1HD2 LEU 23 -5.037 -2.783 5.583 190 2HD2 LEU 23 2HD2 LEU 23 -6.207 -4.018 5.117 191 3HD2 LEU 23 3HD2 LEU 23 -5.360 -4.144 6.658 192 H LYS 24 H LYS 24 -6.828 -2.098 10.556 193 HA LYS 24 HA LYS 24 -6.087 0.455 11.642 194 1HB LYS 24 2HB LYS 24 -7.260 -1.839 13.237 195 2HB LYS 24 1HB LYS 24 -7.461 -0.113 13.525 196 1HG LYS 24 2HG LYS 24 -8.340 -0.813 10.839 197 2HG LYS 24 1HG LYS 24 -9.171 -1.793 12.043 198 1HD LYS 24 2HD LYS 24 -9.099 0.876 13.045 199 2HD LYS 24 1HD LYS 24 -9.603 0.969 11.361 200 1HE LYS 24 2HE LYS 24 -11.665 0.327 11.985 201 2HE LYS 24 1HE LYS 24 -11.002 -1.227 12.485 202 1HZ LYS 24 1HZ LYS 24 -12.176 -0.060 14.281 203 2HZ LYS 24 2HZ LYS 24 -11.052 1.211 14.180 204 3HZ LYS 24 3HZ LYS 24 -10.545 -0.340 14.652 205 H ASP 25 H ASP 25 -5.119 -2.877 12.451 206 HA ASP 25 HA ASP 25 -3.393 -2.251 14.625 207 1HB ASP 25 2HB ASP 25 -4.195 -4.555 13.608 208 2HB ASP 25 1HB ASP 25 -2.716 -4.420 12.670 209 H ALA 26 H ALA 26 -2.980 -2.228 11.149 210 HA ALA 26 HA ALA 26 -0.138 -1.798 11.092 211 1HB ALA 26 1HB ALA 26 -0.439 -1.543 8.791 212 2HB ALA 26 2HB ALA 26 -2.000 -0.746 8.985 213 3HB ALA 26 3HB ALA 26 -1.864 -2.489 9.218 214 H GLY 27 H GLY 27 -2.955 0.298 11.379 215 1HA GLY 27 2HA GLY 27 -2.478 2.446 12.651 216 2HA GLY 27 1HA GLY 27 -1.119 2.662 11.543 217 H VAL 28 H VAL 28 -4.399 1.513 10.866 218 HA VAL 28 HA VAL 28 -4.696 3.759 8.921 219 HB VAL 28 HB VAL 28 -5.885 0.961 8.901 220 1HG1 VAL 28 1HG1 VAL 28 -5.987 2.957 6.643 221 2HG1 VAL 28 2HG1 VAL 28 -7.244 2.939 7.878 222 3HG1 VAL 28 3HG1 VAL 28 -6.968 1.513 6.881 223 1HG2 VAL 28 1HG2 VAL 28 -4.416 0.606 6.983 224 2HG2 VAL 28 2HG2 VAL 28 -3.459 1.105 8.378 225 3HG2 VAL 28 3HG2 VAL 28 -3.826 2.265 7.102 226 H LYS 29 H LYS 29 -6.557 5.000 9.049 227 HA LYS 29 HA LYS 29 -8.055 4.924 11.532 228 1HB LYS 29 2HB LYS 29 -7.573 6.791 9.457 229 2HB LYS 29 1HB LYS 29 -9.316 6.545 9.486 230 1HG LYS 29 2HG LYS 29 -9.551 7.541 11.521 231 2HG LYS 29 1HG LYS 29 -8.071 6.820 12.154 232 1HD LYS 29 2HD LYS 29 -6.753 8.562 11.443 233 2HD LYS 29 1HD LYS 29 -7.756 8.878 10.026 234 1HE LYS 29 2HE LYS 29 -9.526 9.538 11.941 235 2HE LYS 29 1HE LYS 29 -8.036 9.895 12.812 236 1HZ LYS 29 1HZ LYS 29 -8.896 10.997 10.197 237 2HZ LYS 29 2HZ LYS 29 -7.337 11.208 10.836 238 3HZ LYS 29 3HZ LYS 29 -8.685 11.845 11.650 239 H ALA 30 H ALA 30 -10.130 4.143 11.884 240 HA ALA 30 HA ALA 30 -11.145 2.072 10.196 241 1HB ALA 30 1HB ALA 30 -11.632 2.366 12.659 242 2HB ALA 30 2HB ALA 30 -13.048 2.016 11.668 243 3HB ALA 30 3HB ALA 30 -12.742 3.664 12.215 244 H ASN 31 H ASN 31 -11.859 5.518 10.427 245 HA ASN 31 HA ASN 31 -14.182 5.508 8.742 246 1HB ASN 31 2HB ASN 31 -12.756 7.397 10.229 247 2HB ASN 31 1HB ASN 31 -12.560 7.936 8.565 248 1HD2 ASN 31 1HD2 ASN 31 -15.220 6.598 10.611 249 2HD2 ASN 31 2HD2 ASN 31 -16.395 7.684 10.047 250 H ARG 32 H ARG 32 -10.754 5.336 8.093 251 HA ARG 32 HA ARG 32 -11.303 5.701 5.176 252 1HB ARG 32 2HB ARG 32 -8.518 5.682 6.317 253 2HB ARG 32 1HB ARG 32 -9.115 6.477 4.864 254 1HG ARG 32 2HG ARG 32 -10.589 7.770 6.743 255 2HG ARG 32 1HG ARG 32 -9.138 7.414 7.681 256 1HD ARG 32 2HD ARG 32 -8.138 9.171 6.692 257 2HD ARG 32 1HD ARG 32 -8.222 8.306 5.159 258 HE ARG 32 HE ARG 32 -9.946 9.765 4.518 259 1HH1 ARG 32 1HH2 ARG 32 -9.670 9.731 8.004 260 2HH1 ARG 32 2HH2 ARG 32 -10.856 10.972 8.210 261 1HH2 ARG 32 1HH1 ARG 32 -11.476 11.366 4.831 262 2HH2 ARG 32 2HH1 ARG 32 -11.869 11.889 6.434 263 H ILE 33 H ILE 33 -12.143 3.333 5.865 264 HA ILE 33 HA ILE 33 -9.886 1.422 5.408 265 HB ILE 33 HB ILE 33 -12.617 0.951 6.652 266 1HG1 ILE 33 2HG1 ILE 33 -11.021 2.226 8.067 267 2HG1 ILE 33 1HG1 ILE 33 -11.362 0.630 8.730 268 1HG2 ILE 33 1HG2 ILE 33 -12.278 -1.205 6.072 269 2HG2 ILE 33 2HG2 ILE 33 -10.955 -1.212 7.238 270 3HG2 ILE 33 3HG2 ILE 33 -10.628 -0.879 5.539 271 1HD1 ILE 33 1HD1 ILE 33 -8.824 1.739 8.049 272 2HD1 ILE 33 2HD1 ILE 33 -9.129 0.400 6.942 273 3HD1 ILE 33 3HD1 ILE 33 -9.169 0.131 8.686 274 H PHE 34 H PHE 34 -9.958 1.718 3.104 275 HA PHE 34 HA PHE 34 -12.448 1.281 1.638 276 1HB PHE 34 2HB PHE 34 -9.567 1.706 0.875 277 2HB PHE 34 1HB PHE 34 -10.730 1.152 -0.330 278 HD1 PHE 34 1HD PHE 34 -11.997 2.735 -1.491 279 HD2 PHE 34 2HD PHE 34 -10.352 3.759 2.341 280 HE1 PHE 34 1HE PHE 34 -12.836 5.054 -1.752 281 HE2 PHE 34 2HE PHE 34 -11.189 6.078 2.080 282 HZ PHE 34 HZ PHE 34 -12.430 6.727 0.034 283 H THR 35 H THR 35 -12.973 -0.829 2.561 284 HA THR 35 HA THR 35 -11.244 -3.062 1.618 285 HB THR 35 HB THR 35 -11.815 -3.127 4.004 286 HG1 THR 35 1HG THR 35 -12.307 -5.203 3.958 287 1HG2 THR 35 1HG2 THR 35 -14.691 -3.185 3.042 288 2HG2 THR 35 2HG2 THR 35 -13.922 -1.856 3.910 289 3HG2 THR 35 3HG2 THR 35 -14.163 -3.404 4.710 290 H ASP 36 H ASP 36 -12.225 -4.826 0.451 291 HA ASP 36 HA ASP 36 -14.713 -4.017 -1.006 292 1HB ASP 36 2HB ASP 36 -12.627 -5.985 -1.963 293 2HB ASP 36 1HB ASP 36 -13.909 -5.230 -2.906 294 H LYS 37 H LYS 37 -16.338 -5.583 -1.292 295 HA LYS 37 HA LYS 37 -16.155 -7.897 0.566 296 1HB LYS 37 2HB LYS 37 -18.176 -6.062 0.146 297 2HB LYS 37 1HB LYS 37 -18.716 -7.431 -0.823 298 1HG LYS 37 2HG LYS 37 -19.578 -7.647 1.458 299 2HG LYS 37 1HG LYS 37 -18.397 -8.918 1.148 300 1HD LYS 37 2HD LYS 37 -16.922 -8.097 2.679 301 2HD LYS 37 1HD LYS 37 -17.245 -6.422 2.237 302 1HE LYS 37 2HE LYS 37 -19.306 -8.031 3.730 303 2HE LYS 37 1HE LYS 37 -17.987 -7.239 4.592 304 1HZ LYS 37 1HZ LYS 37 -18.656 -5.165 3.369 305 2HZ LYS 37 2HZ LYS 37 -19.751 -5.712 4.547 306 3HZ LYS 37 3HZ LYS 37 -20.066 -5.983 2.899 307 H ALA 38 H ALA 38 -14.565 -8.447 -1.427 308 HA ALA 38 HA ALA 38 -15.438 -9.344 -3.917 309 1HB ALA 38 1HB ALA 38 -13.419 -10.754 -2.151 310 2HB ALA 38 2HB ALA 38 -13.073 -9.332 -3.136 311 3HB ALA 38 3HB ALA 38 -13.525 -10.852 -3.910 312 H SER 39 H SER 39 -16.004 -10.822 -0.793 313 HA SER 39 HA SER 39 -16.766 -13.431 -1.796 314 1HB SER 39 2HB SER 39 -17.701 -12.183 0.795 315 2HB SER 39 1HB SER 39 -17.481 -13.892 0.432 316 HG SER 39 HG SER 39 -15.318 -13.638 0.510 317 H GLY 40 H GLY 40 -18.094 -12.231 -3.582 318 1HA GLY 40 2HA GLY 40 -20.927 -12.196 -2.675 319 2HA GLY 40 1HA GLY 40 -20.329 -10.862 -3.659 320 H SER 41 H SER 41 -19.548 -11.380 -5.838 321 HA SER 41 HA SER 41 -20.844 -13.848 -6.928 322 1HB SER 41 2HB SER 41 -20.827 -12.480 -9.112 323 2HB SER 41 1HB SER 41 -21.976 -11.988 -7.871 324 HG SER 41 HG SER 41 -20.733 -10.241 -8.768 325 H SER 42 H SER 42 -18.419 -11.565 -8.217 326 HA SER 42 HA SER 42 -16.552 -13.882 -8.529 327 1HB SER 42 2HB SER 42 -17.785 -12.850 -10.654 328 2HB SER 42 1HB SER 42 -16.512 -11.641 -10.513 329 HG SER 42 HG SER 42 -16.374 -14.128 -11.481 330 H SER 43 H SER 43 -16.807 -10.320 -8.448 331 HA SER 43 HA SER 43 -14.663 -10.072 -6.534 332 1HB SER 43 2HB SER 43 -13.239 -8.697 -8.278 333 2HB SER 43 1HB SER 43 -13.058 -10.446 -8.179 334 HG SER 43 HG SER 43 -13.369 -9.779 -10.328 335 H ASP 44 H ASP 44 -14.835 -8.087 -5.557 336 HA ASP 44 HA ASP 44 -16.478 -6.014 -6.959 337 1HB ASP 44 2HB ASP 44 -16.542 -6.984 -4.106 338 2HB ASP 44 1HB ASP 44 -17.072 -5.349 -4.504 339 H ARG 45 H ARG 45 -13.795 -5.934 -7.355 340 HA ARG 45 HA ARG 45 -12.265 -4.517 -5.384 341 1HB ARG 45 2HB ARG 45 -11.962 -4.521 -8.405 342 2HB ARG 45 1HB ARG 45 -10.731 -4.022 -7.245 343 1HG ARG 45 2HG ARG 45 -10.178 -6.165 -6.717 344 2HG ARG 45 1HG ARG 45 -11.858 -6.704 -6.733 345 1HD ARG 45 2HD ARG 45 -10.798 -7.822 -8.560 346 2HD ARG 45 1HD ARG 45 -11.751 -6.523 -9.279 347 HE ARG 45 HE ARG 45 -9.187 -5.458 -8.812 348 1HH1 ARG 45 1HH2 ARG 45 -10.625 -8.025 -10.704 349 2HH1 ARG 45 2HH2 ARG 45 -9.416 -7.931 -11.935 350 1HH2 ARG 45 1HH1 ARG 45 -7.644 -5.371 -10.431 351 2HH2 ARG 45 2HH1 ARG 45 -7.746 -6.446 -11.785 352 H LYS 46 H LYS 46 -13.854 -2.894 -4.695 353 HA LYS 46 HA LYS 46 -14.103 -0.600 -6.600 354 1HB LYS 46 2HB LYS 46 -15.830 -1.402 -4.241 355 2HB LYS 46 1HB LYS 46 -16.025 0.100 -5.143 356 1HG LYS 46 2HG LYS 46 -16.008 -2.559 -6.559 357 2HG LYS 46 1HG LYS 46 -17.487 -1.930 -5.830 358 1HD LYS 46 2HD LYS 46 -16.662 0.278 -7.162 359 2HD LYS 46 1HD LYS 46 -15.996 -0.972 -8.213 360 1HE LYS 46 2HE LYS 46 -18.793 -1.367 -7.274 361 2HE LYS 46 1HE LYS 46 -18.527 -0.086 -8.456 362 1HZ LYS 46 1HZ LYS 46 -17.523 -2.857 -8.786 363 2HZ LYS 46 2HZ LYS 46 -17.540 -1.619 -9.951 364 3HZ LYS 46 3HZ LYS 46 -18.997 -2.314 -9.424 365 H GLY 47 H GLY 47 -13.037 -1.632 -3.419 366 1HA GLY 47 2HA GLY 47 -12.743 0.893 -2.157 367 2HA GLY 47 1HA GLY 47 -11.771 -0.530 -1.788 368 H LEU 48 H LEU 48 -10.356 -0.950 -4.103 369 HA LEU 48 HA LEU 48 -8.420 1.198 -3.990 370 1HB LEU 48 2HB LEU 48 -6.990 -0.315 -4.910 371 2HB LEU 48 1HB LEU 48 -8.261 -1.471 -4.543 372 HG LEU 48 HG LEU 48 -7.922 -0.054 -7.206 373 1HD1 LEU 48 1HD1 LEU 48 -6.798 -1.919 -7.993 374 2HD1 LEU 48 2HD1 LEU 48 -7.539 -2.995 -6.810 375 3HD1 LEU 48 3HD1 LEU 48 -6.235 -1.914 -6.323 376 1HD2 LEU 48 1HD2 LEU 48 -9.487 -2.469 -7.290 377 2HD2 LEU 48 2HD2 LEU 48 -9.988 -0.828 -7.687 378 3HD2 LEU 48 3HD2 LEU 48 -10.143 -1.420 -6.035 379 H ASP 49 H ASP 49 -11.073 0.384 -6.114 380 HA ASP 49 HA ASP 49 -10.294 2.088 -8.316 381 1HB ASP 49 2HB ASP 49 -12.235 0.220 -8.001 382 2HB ASP 49 1HB ASP 49 -13.188 1.684 -7.762 383 H LEU 50 H LEU 50 -12.067 2.547 -5.311 384 HA LEU 50 HA LEU 50 -12.712 5.353 -5.981 385 1HB LEU 50 2HB LEU 50 -13.160 3.827 -3.394 386 2HB LEU 50 1HB LEU 50 -13.873 5.379 -3.833 387 HG LEU 50 HG LEU 50 -14.287 3.133 -5.744 388 1HD1 LEU 50 1HD1 LEU 50 -16.116 3.315 -3.375 389 2HD1 LEU 50 2HD1 LEU 50 -14.633 2.370 -3.237 390 3HD1 LEU 50 3HD1 LEU 50 -15.831 1.958 -4.465 391 1HD2 LEU 50 1HD2 LEU 50 -15.168 5.496 -5.994 392 2HD2 LEU 50 2HD2 LEU 50 -16.194 5.189 -4.593 393 3HD2 LEU 50 3HD2 LEU 50 -16.404 4.241 -6.067 394 H LEU 51 H LEU 51 -10.412 3.482 -4.098 395 HA LEU 51 HA LEU 51 -9.389 5.537 -2.411 396 1HB LEU 51 2HB LEU 51 -8.860 3.003 -2.408 397 2HB LEU 51 1HB LEU 51 -7.679 3.379 -3.660 398 HG LEU 51 HG LEU 51 -6.749 5.135 -2.062 399 1HD1 LEU 51 1HD1 LEU 51 -9.003 4.716 -0.636 400 2HD1 LEU 51 2HD1 LEU 51 -7.508 5.294 0.099 401 3HD1 LEU 51 3HD1 LEU 51 -7.929 3.582 0.183 402 1HD2 LEU 51 1HD2 LEU 51 -5.442 3.190 -2.324 403 2HD2 LEU 51 2HD2 LEU 51 -6.654 2.165 -1.555 404 3HD2 LEU 51 3HD2 LEU 51 -5.693 3.279 -0.581 405 H ARG 52 H ARG 52 -8.723 4.679 -5.771 406 HA ARG 52 HA ARG 52 -6.457 6.367 -6.191 407 1HB ARG 52 2HB ARG 52 -8.627 5.428 -8.086 408 2HB ARG 52 1HB ARG 52 -7.174 6.281 -8.607 409 1HG ARG 52 2HG ARG 52 -5.823 4.472 -8.259 410 2HG ARG 52 1HG ARG 52 -6.713 3.956 -6.827 411 1HD ARG 52 2HD ARG 52 -7.185 2.276 -8.422 412 2HD ARG 52 1HD ARG 52 -8.605 3.320 -8.472 413 HE ARG 52 HE ARG 52 -6.869 4.354 -10.404 414 1HH1 ARG 52 1HH2 ARG 52 -8.446 1.294 -9.785 415 2HH1 ARG 52 2HH2 ARG 52 -8.520 0.879 -11.462 416 1HH2 ARG 52 1HH1 ARG 52 -6.986 3.777 -12.562 417 2HH2 ARG 52 2HH1 ARG 52 -7.702 2.267 -13.019 418 H MET 53 H MET 53 -9.895 7.033 -6.035 419 HA MET 53 HA MET 53 -9.355 9.861 -6.801 420 1HB MET 53 2HB MET 53 -11.665 10.046 -7.423 421 2HB MET 53 1HB MET 53 -11.062 8.551 -8.125 422 1HG MET 53 2HG MET 53 -12.192 7.213 -6.515 423 2HG MET 53 1HG MET 53 -12.478 8.584 -5.449 424 1HE MET 53 1HE MET 53 -15.116 10.674 -6.973 425 2HE MET 53 2HE MET 53 -13.522 10.669 -6.224 426 3HE MET 53 3HE MET 53 -14.857 9.830 -5.440 427 H LYS 54 H LYS 54 -9.260 8.267 -4.037 428 HA LYS 54 HA LYS 54 -10.816 10.335 -2.537 429 1HB LYS 54 2HB LYS 54 -10.395 7.405 -2.050 430 2HB LYS 54 1HB LYS 54 -10.641 8.481 -0.672 431 1HG LYS 54 2HG LYS 54 -12.493 8.646 -3.031 432 2HG LYS 54 1HG LYS 54 -12.725 7.378 -1.828 433 1HD LYS 54 2HD LYS 54 -13.293 8.870 -0.159 434 2HD LYS 54 1HD LYS 54 -12.312 10.168 -0.843 435 1HE LYS 54 2HE LYS 54 -13.983 10.251 -2.765 436 2HE LYS 54 1HE LYS 54 -15.011 9.189 -1.802 437 1HZ LYS 54 1HZ LYS 54 -14.015 11.873 -1.009 438 2HZ LYS 54 2HZ LYS 54 -14.916 10.837 -0.006 439 3HZ LYS 54 3HZ LYS 54 -15.611 11.472 -1.421 440 H VAL 55 H VAL 55 -7.761 8.591 -2.805 441 HA VAL 55 HA VAL 55 -6.542 9.475 -0.387 442 HB VAL 55 HB VAL 55 -4.387 9.082 -1.592 443 1HG1 VAL 55 1HG1 VAL 55 -6.650 7.103 -1.694 444 2HG1 VAL 55 2HG1 VAL 55 -5.243 7.125 -0.632 445 3HG1 VAL 55 3HG1 VAL 55 -5.063 6.661 -2.323 446 1HG2 VAL 55 1HG2 VAL 55 -5.698 9.859 -3.824 447 2HG2 VAL 55 2HG2 VAL 55 -5.866 8.113 -3.987 448 3HG2 VAL 55 3HG2 VAL 55 -4.263 8.837 -3.873 449 H GLU 56 H GLU 56 -5.030 11.227 -0.050 450 HA GLU 56 HA GLU 56 -5.538 13.565 -1.846 451 1HB GLU 56 2HB GLU 56 -6.111 13.421 0.801 452 2HB GLU 56 1HB GLU 56 -4.454 14.014 0.883 453 1HG GLU 56 2HG GLU 56 -5.383 15.625 -1.064 454 2HG GLU 56 1HG GLU 56 -6.890 15.343 -0.191 455 H GLU 57 H GLU 57 -3.690 15.021 -2.168 456 HA GLU 57 HA GLU 57 -1.278 13.665 -2.837 457 1HB GLU 57 2HB GLU 57 -2.082 15.881 -3.769 458 2HB GLU 57 1HB GLU 57 -1.535 16.627 -2.268 459 1HG GLU 57 2HG GLU 57 0.739 15.581 -2.706 460 2HG GLU 57 1HG GLU 57 0.145 15.163 -4.313 461 H GLY 58 H GLY 58 0.035 12.732 -1.361 462 1HA GLY 58 2HA GLY 58 1.791 12.982 0.295 463 2HA GLY 58 1HA GLY 58 0.923 14.364 0.961 464 H ASP 59 H ASP 59 -0.898 11.498 0.161 465 HA ASP 59 HA ASP 59 -1.365 11.066 3.070 466 1HB ASP 59 2HB ASP 59 -2.908 10.312 0.581 467 2HB ASP 59 1HB ASP 59 -3.288 9.621 2.157 468 H VAL 60 H VAL 60 -1.634 8.706 3.730 469 HA VAL 60 HA VAL 60 0.416 7.046 2.308 470 HB VAL 60 HB VAL 60 0.408 5.780 4.601 471 1HG1 VAL 60 1HG1 VAL 60 1.673 8.451 4.019 472 2HG1 VAL 60 2HG1 VAL 60 2.394 6.844 3.918 473 3HG1 VAL 60 3HG1 VAL 60 2.050 7.558 5.493 474 1HG2 VAL 60 1HG2 VAL 60 -0.131 7.138 6.533 475 2HG2 VAL 60 2HG2 VAL 60 -1.550 7.095 5.487 476 3HG2 VAL 60 3HG2 VAL 60 -0.515 8.522 5.510 477 H ILE 61 H ILE 61 -0.200 5.077 1.542 478 HA ILE 61 HA ILE 61 -2.996 4.199 2.139 479 HB ILE 61 HB ILE 61 -1.276 3.700 -0.312 480 1HG1 ILE 61 2HG1 ILE 61 -3.841 5.286 -0.134 481 2HG1 ILE 61 1HG1 ILE 61 -2.267 6.041 0.122 482 1HG2 ILE 61 1HG2 ILE 61 -3.694 2.998 -1.142 483 2HG2 ILE 61 2HG2 ILE 61 -3.947 2.673 0.575 484 3HG2 ILE 61 3HG2 ILE 61 -2.664 1.840 -0.302 485 1HD1 ILE 61 1HD1 ILE 61 -2.951 4.421 -2.344 486 2HD1 ILE 61 2HD1 ILE 61 -1.530 5.434 -2.088 487 3HD1 ILE 61 3HD1 ILE 61 -3.123 6.174 -2.254 488 H LEU 62 H LEU 62 -2.637 2.781 3.842 489 HA LEU 62 HA LEU 62 -0.420 0.875 3.821 490 1HB LEU 62 2HB LEU 62 -2.686 1.548 5.643 491 2HB LEU 62 1HB LEU 62 -2.004 -0.072 5.773 492 HG LEU 62 HG LEU 62 -0.172 2.307 5.694 493 1HD1 LEU 62 1HD1 LEU 62 -1.474 1.207 8.200 494 2HD1 LEU 62 2HD1 LEU 62 -1.918 2.736 7.441 495 3HD1 LEU 62 3HD1 LEU 62 -0.301 2.520 8.110 496 1HD2 LEU 62 1HD2 LEU 62 1.218 0.774 7.072 497 2HD2 LEU 62 2HD2 LEU 62 0.771 0.040 5.531 498 3HD2 LEU 62 3HD2 LEU 62 -0.071 -0.428 7.009 499 H VAL 63 H VAL 63 -0.478 -1.141 2.918 500 HA VAL 63 HA VAL 63 -3.156 -2.273 2.221 501 HB VAL 63 HB VAL 63 -2.020 -1.419 0.199 502 1HG1 VAL 63 1HG1 VAL 63 0.151 -3.431 0.849 503 2HG1 VAL 63 2HG1 VAL 63 0.306 -1.692 1.092 504 3HG1 VAL 63 3HG1 VAL 63 0.101 -2.340 -0.536 505 1HG2 VAL 63 1HG2 VAL 63 -3.278 -3.781 0.444 506 2HG2 VAL 63 2HG2 VAL 63 -1.697 -4.371 -0.067 507 3HG2 VAL 63 3HG2 VAL 63 -2.589 -3.242 -1.087 508 H LYS 64 H LYS 64 -3.434 -4.434 2.717 509 HA LYS 64 HA LYS 64 -1.177 -5.747 4.155 510 1HB LYS 64 2HB LYS 64 -3.596 -5.363 5.138 511 2HB LYS 64 1HB LYS 64 -3.991 -6.792 4.183 512 1HG LYS 64 2HG LYS 64 -1.864 -7.824 5.295 513 2HG LYS 64 1HG LYS 64 -2.069 -6.537 6.484 514 1HD LYS 64 2HD LYS 64 -3.395 -8.137 7.473 515 2HD LYS 64 1HD LYS 64 -4.600 -7.406 6.413 516 1HE LYS 64 2HE LYS 64 -4.899 -9.574 5.741 517 2HE LYS 64 1HE LYS 64 -3.525 -9.203 4.701 518 1HZ LYS 64 1HZ LYS 64 -2.964 -11.176 5.797 519 2HZ LYS 64 2HZ LYS 64 -3.525 -10.617 7.300 520 3HZ LYS 64 3HZ LYS 64 -2.105 -9.971 6.626 521 H LYS 65 H LYS 65 -0.688 -7.969 3.687 522 HA LYS 65 HA LYS 65 -1.356 -8.733 0.890 523 1HB LYS 65 2HB LYS 65 1.060 -8.565 1.711 524 2HB LYS 65 1HB LYS 65 0.728 -9.998 2.686 525 1HG LYS 65 2HG LYS 65 0.604 -11.384 0.858 526 2HG LYS 65 1HG LYS 65 -0.043 -10.119 -0.188 527 1HD LYS 65 2HD LYS 65 2.341 -9.041 0.138 528 2HD LYS 65 1HD LYS 65 2.810 -10.692 0.542 529 1HE LYS 65 2HE LYS 65 2.792 -11.286 -1.628 530 2HE LYS 65 1HE LYS 65 1.145 -10.691 -1.828 531 1HZ LYS 65 1HZ LYS 65 2.970 -9.592 -3.189 532 2HZ LYS 65 2HZ LYS 65 3.450 -8.846 -1.740 533 3HZ LYS 65 3HZ LYS 65 1.896 -8.572 -2.366 534 H LEU 66 H LEU 66 -3.541 -9.204 2.243 535 HA LEU 66 HA LEU 66 -3.654 -11.650 3.761 536 1HB LEU 66 2HB LEU 66 -5.411 -9.877 3.832 537 2HB LEU 66 1HB LEU 66 -5.864 -10.297 2.181 538 HG LEU 66 HG LEU 66 -6.321 -12.633 2.947 539 1HD1 LEU 66 1HD1 LEU 66 -4.893 -12.752 4.894 540 2HD1 LEU 66 2HD1 LEU 66 -6.560 -12.939 5.440 541 3HD1 LEU 66 3HD1 LEU 66 -5.732 -11.396 5.650 542 1HD2 LEU 66 1HD2 LEU 66 -7.962 -10.524 3.021 543 2HD2 LEU 66 2HD2 LEU 66 -7.931 -10.872 4.750 544 3HD2 LEU 66 3HD2 LEU 66 -8.474 -12.106 3.612 545 H ASP 67 H ASP 67 -4.272 -10.885 0.334 546 HA ASP 67 HA ASP 67 -3.885 -13.778 -0.277 547 1HB ASP 67 2HB ASP 67 -6.252 -12.071 -0.864 548 2HB ASP 67 1HB ASP 67 -5.708 -13.135 -2.162 549 H ARG 68 H ARG 68 -4.691 -10.888 -2.219 550 HA ARG 68 HA ARG 68 -2.054 -10.457 -3.233 551 1HB ARG 68 2HB ARG 68 -2.407 -11.384 -5.539 552 2HB ARG 68 1HB ARG 68 -2.291 -12.631 -4.297 553 1HG ARG 68 2HG ARG 68 -4.755 -12.762 -4.194 554 2HG ARG 68 1HG ARG 68 -4.872 -11.521 -5.441 555 1HD ARG 68 2HD ARG 68 -3.381 -13.100 -6.858 556 2HD ARG 68 1HD ARG 68 -3.834 -14.341 -5.689 557 HE ARG 68 HE ARG 68 -6.213 -13.052 -6.560 558 1HH1 ARG 68 1HH2 ARG 68 -3.679 -15.109 -7.819 559 2HH1 ARG 68 2HH2 ARG 68 -4.715 -15.829 -9.002 560 1HH2 ARG 68 1HH1 ARG 68 -7.515 -14.011 -8.105 561 2HH2 ARG 68 2HH1 ARG 68 -6.863 -15.215 -9.163 562 H LEU 69 H LEU 69 -2.029 -8.524 -4.344 563 HA LEU 69 HA LEU 69 -4.258 -6.794 -4.338 564 1HB LEU 69 2HB LEU 69 -1.647 -6.860 -5.832 565 2HB LEU 69 1HB LEU 69 -2.818 -5.590 -6.161 566 HG LEU 69 HG LEU 69 -1.000 -5.108 -4.406 567 1HD1 LEU 69 1HD1 LEU 69 -2.609 -3.481 -4.402 568 2HD1 LEU 69 2HD1 LEU 69 -2.941 -4.178 -2.817 569 3HD1 LEU 69 3HD1 LEU 69 -3.926 -4.637 -4.207 570 1HD2 LEU 69 1HD2 LEU 69 -1.525 -5.836 -2.099 571 2HD2 LEU 69 2HD2 LEU 69 -1.134 -7.205 -3.138 572 3HD2 LEU 69 3HD2 LEU 69 -2.814 -6.862 -2.728 573 H GLY 70 H GLY 70 -2.932 -8.749 -7.021 574 1HA GLY 70 2HA GLY 70 -5.572 -8.464 -8.393 575 2HA GLY 70 1HA GLY 70 -4.066 -8.292 -9.297 576 H ARG 71 H ARG 71 -3.595 -10.109 -10.418 577 HA ARG 71 HA ARG 71 -3.819 -12.733 -9.059 578 1HB ARG 71 2HB ARG 71 -4.928 -13.703 -11.103 579 2HB ARG 71 1HB ARG 71 -5.949 -12.587 -10.198 580 1HG ARG 71 2HG ARG 71 -5.160 -10.759 -11.777 581 2HG ARG 71 1HG ARG 71 -4.432 -12.031 -12.758 582 1HD ARG 71 2HD ARG 71 -7.317 -12.238 -11.937 583 2HD ARG 71 1HD ARG 71 -6.862 -11.235 -13.315 584 HE ARG 71 HE ARG 71 -5.628 -13.791 -13.604 585 1HH1 ARG 71 1HH2 ARG 71 -8.787 -12.293 -13.691 586 2HH1 ARG 71 2HH2 ARG 71 -9.424 -13.466 -14.788 587 1HH2 ARG 71 1HH1 ARG 71 -6.494 -15.286 -15.024 588 2HH2 ARG 71 2HH1 ARG 71 -8.141 -15.144 -15.535 589 H ASP 72 H ASP 72 -2.860 -11.000 -12.034 590 HA ASP 72 HA ASP 72 -0.247 -12.345 -11.960 591 1HB ASP 72 2HB ASP 72 -2.364 -12.981 -13.981 592 2HB ASP 72 1HB ASP 72 -0.687 -12.900 -14.524 593 H THR 73 H THR 73 -2.458 -10.309 -13.887 594 HA THR 73 HA THR 73 -0.450 -8.899 -15.345 595 HB THR 73 HB THR 73 -3.053 -7.660 -14.441 596 HG1 THR 73 1HG THR 73 -4.110 -9.073 -15.560 597 1HG2 THR 73 1HG2 THR 73 -2.773 -7.104 -17.069 598 2HG2 THR 73 2HG2 THR 73 -1.076 -7.278 -16.622 599 3HG2 THR 73 3HG2 THR 73 -2.088 -6.091 -15.798 600 H ALA 74 H ALA 74 -0.033 -6.463 -14.973 601 HA ALA 74 HA ALA 74 1.133 -6.116 -12.343 602 1HB ALA 74 1HB ALA 74 2.135 -4.229 -13.226 603 2HB ALA 74 2HB ALA 74 0.710 -3.785 -14.166 604 3HB ALA 74 3HB ALA 74 1.764 -5.085 -14.722 605 H ASP 75 H ASP 75 -1.221 -6.574 -11.442 606 HA ASP 75 HA ASP 75 -3.019 -4.269 -11.434 607 1HB ASP 75 2HB ASP 75 -3.499 -6.878 -11.067 608 2HB ASP 75 1HB ASP 75 -3.238 -6.427 -9.381 609 H MET 76 H MET 76 -0.790 -5.822 -9.134 610 HA MET 76 HA MET 76 -1.238 -4.020 -6.956 611 1HB MET 76 2HB MET 76 -0.032 -6.186 -6.734 612 2HB MET 76 1HB MET 76 1.295 -5.527 -7.680 613 1HG MET 76 2HG MET 76 1.999 -4.121 -5.981 614 2HG MET 76 1HG MET 76 0.389 -3.998 -5.274 615 1HE MET 76 1HE MET 76 3.900 -5.859 -4.824 616 2HE MET 76 2HE MET 76 3.432 -5.687 -3.134 617 3HE MET 76 3HE MET 76 3.227 -4.331 -4.240 618 H ILE 77 H ILE 77 0.968 -3.926 -9.728 619 HA ILE 77 HA ILE 77 2.283 -1.481 -8.838 620 HB ILE 77 HB ILE 77 2.267 -2.869 -11.542 621 1HG1 ILE 77 2HG1 ILE 77 4.745 -3.239 -10.442 622 2HG1 ILE 77 1HG1 ILE 77 3.736 -3.266 -8.997 623 1HG2 ILE 77 1HG2 ILE 77 4.335 -1.544 -11.946 624 2HG2 ILE 77 2HG2 ILE 77 4.076 -0.700 -10.418 625 3HG2 ILE 77 3HG2 ILE 77 2.925 -0.505 -11.740 626 1HD1 ILE 77 1HD1 ILE 77 2.334 -4.815 -10.879 627 2HD1 ILE 77 2HD1 ILE 77 3.245 -5.411 -9.491 628 3HD1 ILE 77 3HD1 ILE 77 4.024 -5.283 -11.068 629 H GLN 78 H GLN 78 -0.473 -2.283 -10.880 630 HA GLN 78 HA GLN 78 -0.764 0.138 -12.308 631 1HB GLN 78 2HB GLN 78 -2.331 -2.183 -11.823 632 2HB GLN 78 1HB GLN 78 -3.358 -0.799 -11.460 633 1HG GLN 78 2HG GLN 78 -3.577 -1.357 -13.824 634 2HG GLN 78 1HG GLN 78 -2.738 0.186 -13.672 635 1HE2 GLN 78 1HE2 GLN 78 -0.481 0.274 -14.278 636 2HE2 GLN 78 2HE2 GLN 78 0.297 -1.022 -15.050 637 H LEU 79 H LEU 79 -2.753 -0.610 -9.409 638 HA LEU 79 HA LEU 79 -3.507 2.075 -8.949 639 1HB LEU 79 2HB LEU 79 -4.316 1.390 -6.813 640 2HB LEU 79 1HB LEU 79 -4.514 0.000 -7.869 641 HG LEU 79 HG LEU 79 -2.117 0.353 -6.045 642 1HD1 LEU 79 1HD1 LEU 79 -3.728 0.105 -4.427 643 2HD1 LEU 79 2HD1 LEU 79 -3.515 -1.594 -4.851 644 3HD1 LEU 79 3HD1 LEU 79 -4.863 -0.678 -5.527 645 1HD2 LEU 79 1HD2 LEU 79 -3.288 -1.964 -7.609 646 2HD2 LEU 79 2HD2 LEU 79 -2.030 -2.155 -6.388 647 3HD2 LEU 79 3HD2 LEU 79 -1.712 -1.211 -7.841 648 H ILE 80 H ILE 80 -0.555 0.396 -8.048 649 HA ILE 80 HA ILE 80 0.419 2.332 -6.161 650 HB ILE 80 HB ILE 80 1.781 0.276 -7.926 651 1HG1 ILE 80 2HG1 ILE 80 1.547 0.507 -4.915 652 2HG1 ILE 80 1HG1 ILE 80 0.416 -0.402 -5.912 653 1HG2 ILE 80 1HG2 ILE 80 3.073 2.186 -5.952 654 2HG2 ILE 80 2HG2 ILE 80 3.437 2.035 -7.671 655 3HG2 ILE 80 3HG2 ILE 80 3.852 0.727 -6.564 656 1HD1 ILE 80 1HD1 ILE 80 1.893 -2.103 -5.409 657 2HD1 ILE 80 2HD1 ILE 80 3.260 -1.002 -5.233 658 3HD1 ILE 80 3HD1 ILE 80 2.698 -1.461 -6.842 659 H LYS 81 H LYS 81 0.918 1.966 -9.696 660 HA LYS 81 HA LYS 81 2.521 4.322 -10.013 661 1HB LYS 81 2HB LYS 81 0.606 3.158 -12.054 662 2HB LYS 81 1HB LYS 81 2.043 4.127 -12.374 663 1HG LYS 81 2HG LYS 81 2.833 1.892 -10.763 664 2HG LYS 81 1HG LYS 81 1.848 1.282 -12.089 665 1HD LYS 81 2HD LYS 81 3.813 3.341 -12.872 666 2HD LYS 81 1HD LYS 81 4.521 1.837 -12.283 667 1HE LYS 81 2HE LYS 81 3.162 0.553 -13.888 668 2HE LYS 81 1HE LYS 81 2.429 2.048 -14.471 669 1HZ LYS 81 1HZ LYS 81 4.241 1.355 -15.900 670 2HZ LYS 81 2HZ LYS 81 5.319 1.369 -14.587 671 3HZ LYS 81 3HZ LYS 81 4.624 2.819 -15.133 672 H GLU 82 H GLU 82 -0.947 3.773 -9.867 673 HA GLU 82 HA GLU 82 -1.795 6.342 -10.814 674 1HB GLU 82 2HB GLU 82 -3.085 4.052 -10.151 675 2HB GLU 82 1HB GLU 82 -3.410 5.011 -8.705 676 1HG GLU 82 2HG GLU 82 -5.192 5.430 -10.287 677 2HG GLU 82 1HG GLU 82 -4.188 6.876 -10.206 678 H PHE 83 H PHE 83 -1.314 5.096 -7.491 679 HA PHE 83 HA PHE 83 -1.800 7.651 -6.229 680 1HB PHE 83 2HB PHE 83 -0.284 5.223 -5.223 681 2HB PHE 83 1HB PHE 83 -0.791 6.583 -4.226 682 HD1 PHE 83 1HD PHE 83 -1.638 3.343 -5.095 683 HD2 PHE 83 2HD PHE 83 -3.419 7.230 -4.699 684 HE1 PHE 83 1HE PHE 83 -3.861 2.291 -4.784 685 HE2 PHE 83 2HE PHE 83 -5.642 6.176 -4.388 686 HZ PHE 83 HZ PHE 83 -5.864 3.709 -4.433 687 H ASP 84 H ASP 84 1.047 6.026 -7.513 688 HA ASP 84 HA ASP 84 3.061 7.666 -6.345 689 1HB ASP 84 2HB ASP 84 3.162 5.487 -7.877 690 2HB ASP 84 1HB ASP 84 3.376 6.683 -9.152 691 H ALA 85 H ALA 85 0.971 8.127 -9.135 692 HA ALA 85 HA ALA 85 2.390 10.525 -10.039 693 1HB ALA 85 1HB ALA 85 -0.393 9.932 -10.938 694 2HB ALA 85 2HB ALA 85 0.866 8.776 -11.371 695 3HB ALA 85 3HB ALA 85 1.003 10.459 -11.878 696 H GLN 86 H GLN 86 -0.263 9.797 -7.873 697 HA GLN 86 HA GLN 86 -1.271 12.543 -7.901 698 1HB GLN 86 2HB GLN 86 -2.101 9.948 -6.812 699 2HB GLN 86 1HB GLN 86 -2.391 11.286 -5.706 700 1HG GLN 86 2HG GLN 86 -3.572 12.509 -7.505 701 2HG GLN 86 1HG GLN 86 -3.308 11.142 -8.590 702 1HE2 GLN 86 1HE2 GLN 86 -4.607 9.232 -8.282 703 2HE2 GLN 86 2HE2 GLN 86 -5.905 9.182 -7.191 704 H GLY 87 H GLY 87 1.489 11.267 -6.619 705 1HA GLY 87 2HA GLY 87 2.976 12.164 -5.036 706 2HA GLY 87 1HA GLY 87 1.812 13.459 -4.749 707 H VAL 88 H VAL 88 0.976 10.057 -4.495 708 HA VAL 88 HA VAL 88 0.599 10.453 -1.554 709 HB VAL 88 HB VAL 88 -0.845 8.577 -3.456 710 1HG1 VAL 88 1HG1 VAL 88 -2.293 8.083 -1.538 711 2HG1 VAL 88 2HG1 VAL 88 -1.356 9.179 -0.522 712 3HG1 VAL 88 3HG1 VAL 88 -0.620 7.695 -1.131 713 1HG2 VAL 88 1HG2 VAL 88 -1.848 10.589 -3.935 714 2HG2 VAL 88 2HG2 VAL 88 -1.381 11.309 -2.395 715 3HG2 VAL 88 3HG2 VAL 88 -2.752 10.201 -2.472 716 H SER 89 H SER 89 1.138 8.664 -0.171 717 HA SER 89 HA SER 89 3.254 6.916 -1.333 718 1HB SER 89 2HB SER 89 2.780 8.126 1.355 719 2HB SER 89 1HB SER 89 3.589 6.562 1.297 720 HG SER 89 HG SER 89 5.211 7.437 0.128 721 H ILE 90 H ILE 90 3.333 4.664 -0.521 722 HA ILE 90 HA ILE 90 0.694 3.626 0.405 723 HB ILE 90 HB ILE 90 2.370 2.368 -1.787 724 1HG1 ILE 90 2HG1 ILE 90 -0.233 3.925 -1.963 725 2HG1 ILE 90 1HG1 ILE 90 1.336 4.493 -2.528 726 1HG2 ILE 90 1HG2 ILE 90 0.961 0.866 -0.319 727 2HG2 ILE 90 2HG2 ILE 90 0.521 0.836 -2.026 728 3HG2 ILE 90 3HG2 ILE 90 -0.457 1.754 -0.881 729 1HD1 ILE 90 1HD1 ILE 90 0.606 3.609 -4.510 730 2HD1 ILE 90 2HD1 ILE 90 -0.492 2.478 -3.719 731 3HD1 ILE 90 3HD1 ILE 90 1.231 2.119 -3.808 732 H ARG 91 H ARG 91 1.291 2.919 2.418 733 HA ARG 91 HA ARG 91 3.912 1.733 2.926 734 1HB ARG 91 2HB ARG 91 1.455 1.777 4.700 735 2HB ARG 91 1HB ARG 91 3.114 1.477 5.213 736 1HG ARG 91 2HG ARG 91 3.658 3.788 4.232 737 2HG ARG 91 1HG ARG 91 1.916 4.052 4.185 738 1HD ARG 91 2HD ARG 91 1.776 4.311 6.437 739 2HD ARG 91 1HD ARG 91 2.894 2.985 6.754 740 HE ARG 91 HE ARG 91 4.512 5.001 5.753 741 1HH1 ARG 91 1HH2 ARG 91 2.212 4.744 8.375 742 2HH1 ARG 91 2HH2 ARG 91 3.035 5.912 9.348 743 1HH2 ARG 91 1HH1 ARG 91 5.545 6.511 7.044 744 2HH2 ARG 91 2HH1 ARG 91 4.901 6.904 8.604 745 H PHE 92 H PHE 92 4.313 -0.478 3.432 746 HA PHE 92 HA PHE 92 2.129 -2.358 2.622 747 1HB PHE 92 2HB PHE 92 5.092 -2.396 2.048 748 2HB PHE 92 1HB PHE 92 4.131 -3.873 1.985 749 HD1 PHE 92 1HD PHE 92 2.836 -4.384 0.083 750 HD2 PHE 92 2HD PHE 92 4.296 -0.384 0.647 751 HE1 PHE 92 1HE PHE 92 2.041 -3.773 -2.184 752 HE2 PHE 92 2HE PHE 92 3.500 0.226 -1.620 753 HZ PHE 92 HZ PHE 92 2.373 -1.469 -3.037 754 H ILE 93 H ILE 93 1.507 -3.641 4.285 755 HA ILE 93 HA ILE 93 2.729 -3.636 6.849 756 HB ILE 93 HB ILE 93 0.355 -4.301 6.224 757 1HG1 ILE 93 2HG1 ILE 93 1.377 -4.621 8.496 758 2HG1 ILE 93 1HG1 ILE 93 0.087 -5.757 8.121 759 1HG2 ILE 93 1HG2 ILE 93 0.989 -5.915 4.437 760 2HG2 ILE 93 2HG2 ILE 93 -0.112 -6.602 5.631 761 3HG2 ILE 93 3HG2 ILE 93 1.604 -7.004 5.681 762 1HD1 ILE 93 1HD1 ILE 93 2.349 -7.091 7.228 763 2HD1 ILE 93 2HD1 ILE 93 1.545 -7.363 8.771 764 3HD1 ILE 93 3HD1 ILE 93 2.920 -6.267 8.676 765 H ASP 94 H ASP 94 3.336 -5.600 4.013 766 HA ASP 94 HA ASP 94 4.702 -7.797 5.115 767 1HB ASP 94 2HB ASP 94 4.118 -7.302 2.657 768 2HB ASP 94 1HB ASP 94 5.636 -6.404 2.608 769 H ASP 95 H ASP 95 5.830 -4.466 4.725 770 HA ASP 95 HA ASP 95 8.281 -5.245 6.237 771 1HB ASP 95 2HB ASP 95 9.628 -3.729 4.754 772 2HB ASP 95 1HB ASP 95 9.017 -5.164 3.931 773 H GLY 96 H GLY 96 6.302 -2.546 5.003 774 1HA GLY 96 2HA GLY 96 5.415 -1.014 6.811 775 2HA GLY 96 1HA GLY 96 7.054 -1.019 7.465 776 H ILE 97 H ILE 97 8.418 -0.884 4.944 777 HA ILE 97 HA ILE 97 8.253 1.987 4.478 778 HB ILE 97 HB ILE 97 9.831 -0.069 2.908 779 1HG1 ILE 97 2HG1 ILE 97 10.694 1.492 5.366 780 2HG1 ILE 97 1HG1 ILE 97 10.247 -0.214 5.377 781 1HG2 ILE 97 1HG2 ILE 97 10.011 2.924 3.304 782 2HG2 ILE 97 2HG2 ILE 97 9.847 2.034 1.788 783 3HG2 ILE 97 3HG2 ILE 97 11.364 1.975 2.685 784 1HD1 ILE 97 1HD1 ILE 97 12.115 -0.850 4.121 785 2HD1 ILE 97 2HD1 ILE 97 12.772 0.430 5.142 786 3HD1 ILE 97 3HD1 ILE 97 12.346 0.771 3.464 787 H SER 98 H SER 98 7.999 2.866 2.232 788 HA SER 98 HA SER 98 5.608 1.790 0.988 789 1HB SER 98 2HB SER 98 7.402 3.847 -0.288 790 2HB SER 98 1HB SER 98 5.647 3.710 -0.378 791 HG SER 98 HG SER 98 6.147 5.341 1.055 792 H THR 99 H THR 99 6.191 2.147 -1.769 793 HA THR 99 HA THR 99 7.435 -0.407 -2.361 794 HB THR 99 HB THR 99 5.640 0.393 -3.793 795 HG1 THR 99 1HG THR 99 6.642 -0.433 -5.424 796 1HG2 THR 99 1HG2 THR 99 6.480 2.447 -5.319 797 2HG2 THR 99 2HG2 THR 99 7.327 2.840 -3.822 798 3HG2 THR 99 3HG2 THR 99 5.570 2.682 -3.827 799 H ASP 100 H ASP 100 9.448 0.424 -1.101 800 HA ASP 100 HA ASP 100 11.225 2.334 -2.250 801 1HB ASP 100 2HB ASP 100 11.413 1.387 0.062 802 2HB ASP 100 1HB ASP 100 11.960 -0.133 -0.646 803 H GLY 101 H GLY 101 11.230 1.918 -4.532 804 1HA GLY 101 2HA GLY 101 12.483 1.140 -6.391 805 2HA GLY 101 1HA GLY 101 13.238 -0.062 -5.344 806 H GLU 102 H GLU 102 10.898 0.430 -7.748 807 HA GLU 102 HA GLU 102 9.482 -2.111 -7.096 808 1HB GLU 102 2HB GLU 102 8.143 -0.047 -7.642 809 2HB GLU 102 1HB GLU 102 8.837 -0.092 -9.264 810 1HG GLU 102 2HG GLU 102 7.993 -2.556 -9.305 811 2HG GLU 102 1HG GLU 102 6.962 -2.057 -7.963 812 H MET 103 H MET 103 11.575 -0.585 -9.479 813 HA MET 103 HA MET 103 12.134 -3.249 -10.631 814 1HB MET 103 2HB MET 103 10.797 -1.002 -12.053 815 2HB MET 103 1HB MET 103 12.053 -1.868 -12.941 816 1HG MET 103 2HG MET 103 10.925 -3.977 -12.623 817 2HG MET 103 1HG MET 103 9.760 -3.245 -11.519 818 1HE MET 103 1HE MET 103 10.425 -4.350 -15.069 819 2HE MET 103 2HE MET 103 11.391 -2.880 -14.959 820 3HE MET 103 3HE MET 103 10.023 -2.946 -16.066 821 H GLY 104 H GLY 104 14.313 -3.421 -10.605 822 1HA GLY 104 2HA GLY 104 15.971 -1.159 -11.536 823 2HA GLY 104 1HA GLY 104 16.260 -1.707 -9.885 824 H LYS 105 H LYS 105 16.430 -4.258 -9.792 825 HA LYS 105 HA LYS 105 18.756 -5.007 -11.288 826 1HB LYS 105 2HB LYS 105 16.776 -6.623 -9.662 827 2HB LYS 105 1HB LYS 105 18.218 -7.328 -10.392 828 1HG LYS 105 2HG LYS 105 19.384 -5.245 -9.185 829 2HG LYS 105 1HG LYS 105 17.991 -5.410 -8.117 830 1HD LYS 105 2HD LYS 105 18.664 -7.461 -7.325 831 2HD LYS 105 1HD LYS 105 19.437 -7.911 -8.847 832 1HE LYS 105 2HE LYS 105 21.022 -5.838 -8.131 833 2HE LYS 105 1HE LYS 105 20.543 -6.411 -6.534 834 1HZ LYS 105 1HZ LYS 105 21.335 -8.580 -7.045 835 2HZ LYS 105 2HZ LYS 105 22.571 -7.484 -7.441 836 3HZ LYS 105 3HZ LYS 105 21.616 -8.173 -8.666 Start of MODEL 5 1 1H MET 1 1HT MET 1 -2.895 15.541 6.297 2 HA MET 1 HA MET 1 -2.418 13.419 4.303 3 1HB MET 1 2HB MET 1 -0.600 14.341 5.820 4 2HB MET 1 1HB MET 1 -1.518 13.697 7.180 5 1HG MET 1 2HG MET 1 -1.375 11.439 6.257 6 2HG MET 1 1HG MET 1 -0.548 12.053 4.824 7 1HE MET 1 1HE MET 1 -0.106 10.348 8.088 8 2HE MET 1 2HE MET 1 1.604 10.036 7.792 9 3HE MET 1 3HE MET 1 0.427 9.728 6.518 10 H ARG 2 H ARG 2 -3.464 11.470 4.521 11 HA ARG 2 HA ARG 2 -5.258 11.107 6.883 12 1HB ARG 2 2HB ARG 2 -6.132 10.145 4.170 13 2HB ARG 2 1HB ARG 2 -7.113 10.519 5.583 14 1HG ARG 2 2HG ARG 2 -5.634 12.580 3.918 15 2HG ARG 2 1HG ARG 2 -7.355 12.222 3.776 16 1HD ARG 2 2HD ARG 2 -6.424 12.782 6.527 17 2HD ARG 2 1HD ARG 2 -6.335 14.149 5.417 18 HE ARG 2 HE ARG 2 -8.888 12.866 5.161 19 1HH1 ARG 2 1HH2 ARG 2 -7.039 14.898 7.327 20 2HH1 ARG 2 2HH2 ARG 2 -8.449 15.631 8.005 21 1HH2 ARG 2 1HH1 ARG 2 -10.685 13.841 6.069 22 2HH2 ARG 2 2HH1 ARG 2 -10.493 15.040 7.303 23 H LEU 3 H LEU 3 -5.745 8.830 7.327 24 HA LEU 3 HA LEU 3 -3.554 7.044 6.370 25 1HB LEU 3 2HB LEU 3 -5.335 6.863 8.820 26 2HB LEU 3 1HB LEU 3 -4.086 5.692 8.393 27 HG LEU 3 HG LEU 3 -2.607 7.930 8.258 28 1HD1 LEU 3 1HD1 LEU 3 -5.014 8.578 9.896 29 2HD1 LEU 3 2HD1 LEU 3 -4.004 9.639 8.915 30 3HD1 LEU 3 3HD1 LEU 3 -3.452 9.122 10.508 31 1HD2 LEU 3 1HD2 LEU 3 -1.940 7.444 10.626 32 2HD2 LEU 3 2HD2 LEU 3 -2.058 5.992 9.631 33 3HD2 LEU 3 3HD2 LEU 3 -3.346 6.390 10.766 34 H PHE 4 H PHE 4 -4.663 6.481 4.386 35 HA PHE 4 HA PHE 4 -7.304 5.212 4.535 36 1HB PHE 4 2HB PHE 4 -5.311 5.637 2.298 37 2HB PHE 4 1HB PHE 4 -6.801 4.721 2.075 38 HD1 PHE 4 1HD PHE 4 -5.326 7.990 2.179 39 HD2 PHE 4 2HD PHE 4 -9.021 5.869 2.725 40 HE1 PHE 4 1HE PHE 4 -6.583 10.107 1.892 41 HE2 PHE 4 2HE PHE 4 -10.279 7.986 2.438 42 HZ PHE 4 HZ PHE 4 -9.060 10.106 2.022 43 H GLY 5 H GLY 5 -7.698 2.993 4.414 44 1HA GLY 5 2HA GLY 5 -5.291 1.218 4.383 45 2HA GLY 5 1HA GLY 5 -6.579 0.986 5.564 46 H TYR 6 H TYR 6 -5.451 -0.005 2.588 47 HA TYR 6 HA TYR 6 -8.080 -0.635 1.412 48 1HB TYR 6 2HB TYR 6 -6.177 -0.004 -0.054 49 2HB TYR 6 1HB TYR 6 -5.269 -1.397 0.534 50 HD1 TYR 6 1HD TYR 6 -8.746 -0.741 -0.747 51 HD2 TYR 6 2HD TYR 6 -5.237 -3.211 -0.904 52 HE1 TYR 6 1HE TYR 6 -9.832 -2.182 -2.447 53 HE2 TYR 6 2HE TYR 6 -6.322 -4.650 -2.606 54 HH TYR 6 HH TYR 6 -8.195 -4.321 -4.364 55 H ALA 7 H ALA 7 -9.029 -2.679 1.498 56 HA ALA 7 HA ALA 7 -7.476 -4.949 2.582 57 1HB ALA 7 1HB ALA 7 -9.696 -5.181 4.146 58 2HB ALA 7 2HB ALA 7 -9.511 -3.428 4.098 59 3HB ALA 7 3HB ALA 7 -8.190 -4.438 4.686 60 H ARG 8 H ARG 8 -7.916 -6.418 0.990 61 HA ARG 8 HA ARG 8 -10.684 -6.579 -0.084 62 1HB ARG 8 2HB ARG 8 -8.217 -6.793 -1.331 63 2HB ARG 8 1HB ARG 8 -8.705 -8.478 -1.154 64 1HG ARG 8 2HG ARG 8 -11.049 -7.334 -1.987 65 2HG ARG 8 1HG ARG 8 -9.867 -6.346 -2.843 66 1HD ARG 8 2HD ARG 8 -10.150 -9.356 -2.933 67 2HD ARG 8 1HD ARG 8 -10.417 -8.219 -4.254 68 HE ARG 8 HE ARG 8 -7.792 -7.756 -3.546 69 1HH1 ARG 8 1HH2 ARG 8 -9.614 -10.622 -4.383 70 2HH1 ARG 8 2HH2 ARG 8 -8.235 -11.426 -5.048 71 1HH2 ARG 8 1HH1 ARG 8 -6.034 -8.835 -4.415 72 2HH2 ARG 8 2HH1 ARG 8 -6.230 -10.427 -5.065 73 H VAL 9 H VAL 9 -11.930 -8.483 0.175 74 HA VAL 9 HA VAL 9 -10.964 -10.252 2.356 75 HB VAL 9 HB VAL 9 -13.346 -10.911 2.580 76 1HG1 VAL 9 1HG1 VAL 9 -13.129 -7.899 2.448 77 2HG1 VAL 9 2HG1 VAL 9 -12.318 -8.846 3.695 78 3HG1 VAL 9 3HG1 VAL 9 -14.077 -8.871 3.573 79 1HG2 VAL 9 1HG2 VAL 9 -13.835 -10.501 0.110 80 2HG2 VAL 9 2HG2 VAL 9 -13.903 -8.782 0.501 81 3HG2 VAL 9 3HG2 VAL 9 -15.053 -9.900 1.235 82 H SER 10 H SER 10 -10.881 -12.473 2.145 83 HA SER 10 HA SER 10 -11.233 -13.535 -0.629 84 1HB SER 10 2HB SER 10 -8.871 -13.416 0.587 85 2HB SER 10 1HB SER 10 -9.452 -14.885 1.365 86 HG SER 10 HG SER 10 -9.385 -15.911 -0.501 87 H THR 11 H THR 11 -11.634 -14.166 2.837 88 HA THR 11 HA THR 11 -13.022 -16.710 2.312 89 HB THR 11 HB THR 11 -11.609 -16.573 4.302 90 HG1 THR 11 1HG THR 11 -13.055 -17.467 5.629 91 1HG2 THR 11 1HG2 THR 11 -13.058 -14.911 6.047 92 2HG2 THR 11 2HG2 THR 11 -12.884 -13.985 4.558 93 3HG2 THR 11 3HG2 THR 11 -11.456 -14.608 5.382 94 H SER 12 H SER 12 -15.188 -16.923 3.675 95 HA SER 12 HA SER 12 -16.906 -14.619 2.863 96 1HB SER 12 2HB SER 12 -17.287 -17.569 2.902 97 2HB SER 12 1HB SER 12 -18.692 -16.585 3.303 98 HG SER 12 HG SER 12 -18.818 -16.019 1.288 99 H GLN 13 H GLN 13 -15.749 -16.387 5.605 100 HA GLN 13 HA GLN 13 -17.881 -16.057 7.442 101 1HB GLN 13 2HB GLN 13 -15.382 -17.124 7.586 102 2HB GLN 13 1HB GLN 13 -15.145 -15.638 8.505 103 1HG GLN 13 2HG GLN 13 -17.625 -17.162 9.109 104 2HG GLN 13 1HG GLN 13 -16.109 -17.913 9.611 105 1HE2 GLN 13 1HE2 GLN 13 -18.471 -16.034 10.871 106 2HE2 GLN 13 2HE2 GLN 13 -17.566 -15.076 11.940 107 H GLN 14 H GLN 14 -14.967 -13.968 7.259 108 HA GLN 14 HA GLN 14 -16.422 -11.507 7.194 109 1HB GLN 14 2HB GLN 14 -16.011 -10.764 9.544 110 2HB GLN 14 1HB GLN 14 -17.145 -12.113 9.449 111 1HG GLN 14 2HG GLN 14 -14.962 -13.574 9.716 112 2HG GLN 14 1HG GLN 14 -14.302 -12.093 10.411 113 1HE2 GLN 14 1HE2 GLN 14 -14.250 -13.263 12.532 114 2HE2 GLN 14 2HE2 GLN 14 -15.678 -13.425 13.434 115 H SER 15 H SER 15 -14.355 -12.103 5.688 116 HA SER 15 HA SER 15 -11.738 -11.623 6.751 117 1HB SER 15 2HB SER 15 -12.935 -12.048 4.162 118 2HB SER 15 1HB SER 15 -11.784 -10.723 4.071 119 HG SER 15 HG SER 15 -10.221 -12.093 4.360 120 H LEU 16 H LEU 16 -14.255 -9.469 5.510 121 HA LEU 16 HA LEU 16 -12.743 -7.076 5.298 122 1HB LEU 16 2HB LEU 16 -14.990 -7.150 4.434 123 2HB LEU 16 1HB LEU 16 -15.652 -7.563 6.010 124 HG LEU 16 HG LEU 16 -14.096 -5.050 5.990 125 1HD1 LEU 16 1HD1 LEU 16 -16.679 -5.299 4.410 126 2HD1 LEU 16 2HD1 LEU 16 -15.100 -4.845 3.768 127 3HD1 LEU 16 3HD1 LEU 16 -15.939 -3.770 4.885 128 1HD2 LEU 16 1HD2 LEU 16 -15.656 -4.433 7.583 129 2HD2 LEU 16 2HD2 LEU 16 -15.789 -6.188 7.715 130 3HD2 LEU 16 3HD2 LEU 16 -16.975 -5.282 6.773 131 H ASP 17 H ASP 17 -14.383 -8.529 8.103 132 HA ASP 17 HA ASP 17 -13.749 -6.406 9.939 133 1HB ASP 17 2HB ASP 17 -15.442 -8.370 10.191 134 2HB ASP 17 1HB ASP 17 -14.048 -9.291 10.759 135 H ILE 18 H ILE 18 -12.310 -9.671 9.620 136 HA ILE 18 HA ILE 18 -10.083 -9.299 11.304 137 HB ILE 18 HB ILE 18 -10.117 -10.903 8.728 138 1HG1 ILE 18 2HG1 ILE 18 -10.625 -12.289 11.285 139 2HG1 ILE 18 1HG1 ILE 18 -11.901 -11.168 10.826 140 1HG2 ILE 18 1HG2 ILE 18 -8.628 -12.349 10.411 141 2HG2 ILE 18 2HG2 ILE 18 -8.338 -10.762 11.125 142 3HG2 ILE 18 3HG2 ILE 18 -7.926 -11.059 9.435 143 1HD1 ILE 18 1HD1 ILE 18 -11.265 -13.763 9.700 144 2HD1 ILE 18 2HD1 ILE 18 -11.228 -12.524 8.449 145 3HD1 ILE 18 3HD1 ILE 18 -12.680 -12.751 9.422 146 H GLN 19 H GLN 19 -10.400 -8.517 7.839 147 HA GLN 19 HA GLN 19 -7.684 -7.703 7.451 148 1HB GLN 19 2HB GLN 19 -10.276 -7.094 6.056 149 2HB GLN 19 1HB GLN 19 -8.823 -6.201 5.628 150 1HG GLN 19 2HG GLN 19 -8.501 -9.142 5.828 151 2HG GLN 19 1HG GLN 19 -9.493 -8.569 4.488 152 1HE2 GLN 19 1HE2 GLN 19 -6.233 -8.864 5.648 153 2HE2 GLN 19 2HE2 GLN 19 -5.480 -8.055 4.361 154 H VAL 20 H VAL 20 -10.612 -5.795 8.244 155 HA VAL 20 HA VAL 20 -9.462 -3.240 8.427 156 HB VAL 20 HB VAL 20 -11.648 -4.476 10.132 157 1HG1 VAL 20 1HG1 VAL 20 -10.337 -1.924 10.394 158 2HG1 VAL 20 2HG1 VAL 20 -11.673 -2.579 11.337 159 3HG1 VAL 20 3HG1 VAL 20 -12.000 -1.668 9.866 160 1HG2 VAL 20 1HG2 VAL 20 -12.220 -2.471 8.030 161 2HG2 VAL 20 2HG2 VAL 20 -13.097 -3.940 8.451 162 3HG2 VAL 20 3HG2 VAL 20 -11.649 -4.035 7.449 163 H ARG 21 H ARG 21 -9.683 -5.693 11.050 164 HA ARG 21 HA ARG 21 -8.292 -4.174 13.025 165 1HB ARG 21 2HB ARG 21 -7.935 -7.164 12.778 166 2HB ARG 21 1HB ARG 21 -8.002 -6.189 14.240 167 1HG ARG 21 2HG ARG 21 -10.303 -6.930 12.415 168 2HG ARG 21 1HG ARG 21 -10.081 -7.390 14.093 169 1HD ARG 21 2HD ARG 21 -10.633 -4.603 13.044 170 2HD ARG 21 1HD ARG 21 -11.720 -5.605 14.003 171 HE ARG 21 HE ARG 21 -9.274 -5.246 15.441 172 1HH1 ARG 21 1HH2 ARG 21 -12.115 -3.480 14.419 173 2HH1 ARG 21 2HH2 ARG 21 -12.027 -2.375 15.745 174 1HH2 ARG 21 1HH1 ARG 21 -9.202 -3.793 17.144 175 2HH2 ARG 21 2HH1 ARG 21 -10.397 -2.547 17.271 176 H ALA 22 H ALA 22 -7.166 -6.140 10.344 177 HA ALA 22 HA ALA 22 -4.378 -6.149 11.057 178 1HB ALA 22 1HB ALA 22 -5.215 -6.183 8.189 179 2HB ALA 22 2HB ALA 22 -5.795 -7.489 9.224 180 3HB ALA 22 3HB ALA 22 -4.063 -7.217 9.034 181 H LEU 23 H LEU 23 -6.333 -4.052 8.915 182 HA LEU 23 HA LEU 23 -4.138 -2.324 8.192 183 1HB LEU 23 2HB LEU 23 -7.000 -1.377 8.325 184 2HB LEU 23 1HB LEU 23 -5.742 -0.903 7.191 185 HG LEU 23 HG LEU 23 -7.275 -3.513 7.267 186 1HD1 LEU 23 1HD1 LEU 23 -7.409 -2.604 4.733 187 2HD1 LEU 23 2HD1 LEU 23 -7.227 -1.070 5.583 188 3HD1 LEU 23 3HD1 LEU 23 -8.571 -2.142 5.978 189 1HD2 LEU 23 1HD2 LEU 23 -5.821 -3.862 5.085 190 2HD2 LEU 23 2HD2 LEU 23 -5.174 -4.332 6.656 191 3HD2 LEU 23 3HD2 LEU 23 -4.685 -2.805 5.922 192 H LYS 24 H LYS 24 -6.693 -2.115 10.662 193 HA LYS 24 HA LYS 24 -5.903 0.409 11.747 194 1HB LYS 24 2HB LYS 24 -7.153 -1.851 13.331 195 2HB LYS 24 1HB LYS 24 -7.307 -0.120 13.620 196 1HG LYS 24 2HG LYS 24 -8.156 -0.710 10.921 197 2HG LYS 24 1HG LYS 24 -8.996 -1.779 12.041 198 1HD LYS 24 2HD LYS 24 -9.038 0.761 13.268 199 2HD LYS 24 1HD LYS 24 -9.393 1.057 11.568 200 1HE LYS 24 2HE LYS 24 -11.450 0.152 11.750 201 2HE LYS 24 1HE LYS 24 -10.827 -1.278 12.569 202 1HZ LYS 24 1HZ LYS 24 -11.139 -0.371 14.609 203 2HZ LYS 24 2HZ LYS 24 -12.388 0.429 13.783 204 3HZ LYS 24 3HZ LYS 24 -10.918 1.225 14.081 205 H ASP 25 H ASP 25 -4.853 -2.915 12.448 206 HA ASP 25 HA ASP 25 -3.298 -2.427 14.761 207 1HB ASP 25 2HB ASP 25 -3.800 -4.655 13.491 208 2HB ASP 25 1HB ASP 25 -2.350 -4.268 12.580 209 H ALA 26 H ALA 26 -2.455 -2.211 11.327 210 HA ALA 26 HA ALA 26 0.265 -1.395 11.689 211 1HB ALA 26 1HB ALA 26 -1.356 -0.430 9.363 212 2HB ALA 26 2HB ALA 26 -1.104 -2.166 9.553 213 3HB ALA 26 3HB ALA 26 0.282 -1.087 9.388 214 H GLY 27 H GLY 27 -2.798 0.339 11.738 215 1HA GLY 27 2HA GLY 27 -2.703 2.425 13.174 216 2HA GLY 27 1HA GLY 27 -1.279 2.871 12.234 217 H VAL 28 H VAL 28 -4.340 1.461 11.068 218 HA VAL 28 HA VAL 28 -4.540 3.764 9.206 219 HB VAL 28 HB VAL 28 -4.721 1.082 8.708 220 1HG1 VAL 28 1HG1 VAL 28 -7.584 2.053 8.935 221 2HG1 VAL 28 2HG1 VAL 28 -6.845 0.740 9.852 222 3HG1 VAL 28 3HG1 VAL 28 -7.081 0.578 8.112 223 1HG2 VAL 28 1HG2 VAL 28 -6.427 2.704 6.928 224 2HG2 VAL 28 2HG2 VAL 28 -4.958 1.797 6.570 225 3HG2 VAL 28 3HG2 VAL 28 -4.846 3.408 7.273 226 H LYS 29 H LYS 29 -6.879 4.513 8.768 227 HA LYS 29 HA LYS 29 -8.156 5.014 11.402 228 1HB LYS 29 2HB LYS 29 -7.614 6.674 9.241 229 2HB LYS 29 1HB LYS 29 -9.334 6.339 9.055 230 1HG LYS 29 2HG LYS 29 -9.544 8.070 10.532 231 2HG LYS 29 1HG LYS 29 -9.245 6.803 11.722 232 1HD LYS 29 2HD LYS 29 -6.955 7.376 11.925 233 2HD LYS 29 1HD LYS 29 -6.982 8.336 10.446 234 1HE LYS 29 2HE LYS 29 -8.310 10.046 11.476 235 2HE LYS 29 1HE LYS 29 -8.627 9.036 12.887 236 1HZ LYS 29 1HZ LYS 29 -6.937 10.499 13.531 237 2HZ LYS 29 2HZ LYS 29 -6.079 10.303 12.079 238 3HZ LYS 29 3HZ LYS 29 -6.137 9.038 13.212 239 H ALA 30 H ALA 30 -10.116 4.100 11.929 240 HA ALA 30 HA ALA 30 -11.248 2.011 10.324 241 1HB ALA 30 1HB ALA 30 -12.688 1.679 12.073 242 2HB ALA 30 2HB ALA 30 -13.023 3.400 12.257 243 3HB ALA 30 3HB ALA 30 -11.538 2.716 12.915 244 H ASN 31 H ASN 31 -11.896 5.450 10.612 245 HA ASN 31 HA ASN 31 -14.340 5.458 9.077 246 1HB ASN 31 2HB ASN 31 -12.817 7.322 10.540 247 2HB ASN 31 1HB ASN 31 -12.783 7.915 8.883 248 1HD2 ASN 31 1HD2 ASN 31 -15.192 6.531 11.192 249 2HD2 ASN 31 2HD2 ASN 31 -16.445 7.580 10.737 250 H ARG 32 H ARG 32 -10.938 5.353 8.292 251 HA ARG 32 HA ARG 32 -11.583 5.799 5.408 252 1HB ARG 32 2HB ARG 32 -9.122 6.258 7.076 253 2HB ARG 32 1HB ARG 32 -8.953 5.964 5.349 254 1HG ARG 32 2HG ARG 32 -9.624 8.056 4.851 255 2HG ARG 32 1HG ARG 32 -11.076 7.883 5.835 256 1HD ARG 32 2HD ARG 32 -9.230 8.140 7.798 257 2HD ARG 32 1HD ARG 32 -8.450 9.088 6.529 258 HE ARG 32 HE ARG 32 -11.181 9.879 6.674 259 1HH1 ARG 32 1HH2 ARG 32 -8.245 10.022 8.572 260 2HH1 ARG 32 2HH2 ARG 32 -8.711 11.485 9.367 261 1HH2 ARG 32 1HH1 ARG 32 -11.742 11.772 7.727 262 2HH2 ARG 32 2HH1 ARG 32 -10.668 12.467 8.896 263 H ILE 33 H ILE 33 -12.384 3.392 6.080 264 HA ILE 33 HA ILE 33 -10.121 1.504 5.580 265 HB ILE 33 HB ILE 33 -12.884 1.027 6.747 266 1HG1 ILE 33 2HG1 ILE 33 -11.288 2.203 8.232 267 2HG1 ILE 33 1HG1 ILE 33 -11.665 0.589 8.825 268 1HG2 ILE 33 1HG2 ILE 33 -11.197 -0.813 5.416 269 2HG2 ILE 33 2HG2 ILE 33 -12.609 -1.179 6.406 270 3HG2 ILE 33 3HG2 ILE 33 -11.006 -1.139 7.138 271 1HD1 ILE 33 1HD1 ILE 33 -9.156 1.486 7.386 272 2HD1 ILE 33 2HD1 ILE 33 -9.556 -0.211 7.648 273 3HD1 ILE 33 3HD1 ILE 33 -9.292 0.853 9.028 274 H PHE 34 H PHE 34 -10.082 1.763 3.296 275 HA PHE 34 HA PHE 34 -12.545 1.334 1.749 276 1HB PHE 34 2HB PHE 34 -9.715 2.062 1.144 277 2HB PHE 34 1HB PHE 34 -10.630 1.254 -0.131 278 HD1 PHE 34 1HD PHE 34 -12.749 2.249 -0.985 279 HD2 PHE 34 2HD PHE 34 -10.238 4.309 1.827 280 HE1 PHE 34 1HE PHE 34 -13.924 4.374 -1.492 281 HE2 PHE 34 2HE PHE 34 -11.412 6.433 1.319 282 HZ PHE 34 HZ PHE 34 -13.256 6.465 -0.340 283 H THR 35 H THR 35 -12.996 -0.816 2.598 284 HA THR 35 HA THR 35 -11.151 -2.932 1.593 285 HB THR 35 HB THR 35 -11.492 -3.271 3.922 286 HG1 THR 35 1HG THR 35 -12.307 -5.247 3.859 287 1HG2 THR 35 1HG2 THR 35 -13.777 -3.330 4.929 288 2HG2 THR 35 2HG2 THR 35 -14.435 -2.787 3.387 289 3HG2 THR 35 3HG2 THR 35 -13.345 -1.742 4.299 290 H ASP 36 H ASP 36 -11.958 -4.574 0.245 291 HA ASP 36 HA ASP 36 -14.482 -3.881 -1.149 292 1HB ASP 36 2HB ASP 36 -12.571 -6.095 -1.895 293 2HB ASP 36 1HB ASP 36 -13.728 -5.268 -2.928 294 H LYS 37 H LYS 37 -15.434 -6.179 -2.061 295 HA LYS 37 HA LYS 37 -15.741 -8.049 0.232 296 1HB LYS 37 2HB LYS 37 -18.071 -6.974 -1.392 297 2HB LYS 37 1HB LYS 37 -18.160 -8.076 -0.019 298 1HG LYS 37 2HG LYS 37 -16.967 -5.303 0.185 299 2HG LYS 37 1HG LYS 37 -18.668 -5.637 0.509 300 1HD LYS 37 2HD LYS 37 -16.649 -7.362 1.876 301 2HD LYS 37 1HD LYS 37 -16.831 -5.706 2.455 302 1HE LYS 37 2HE LYS 37 -18.428 -6.827 3.735 303 2HE LYS 37 1HE LYS 37 -19.398 -6.251 2.379 304 1HZ LYS 37 1HZ LYS 37 -19.524 -8.722 3.094 305 2HZ LYS 37 2HZ LYS 37 -18.080 -8.874 2.213 306 3HZ LYS 37 3HZ LYS 37 -19.495 -8.330 1.445 307 H ALA 38 H ALA 38 -14.150 -8.987 -1.465 308 HA ALA 38 HA ALA 38 -15.219 -9.981 -3.960 309 1HB ALA 38 1HB ALA 38 -12.837 -11.211 -2.609 310 2HB ALA 38 2HB ALA 38 -12.730 -9.550 -3.193 311 3HB ALA 38 3HB ALA 38 -13.091 -10.859 -4.318 312 H SER 39 H SER 39 -17.151 -10.820 -2.422 313 HA SER 39 HA SER 39 -16.781 -13.747 -2.263 314 1HB SER 39 2HB SER 39 -17.401 -11.961 0.070 315 2HB SER 39 1HB SER 39 -18.083 -13.585 0.014 316 HG SER 39 HG SER 39 -15.334 -12.892 -0.224 317 H GLY 40 H GLY 40 -18.300 -11.828 -3.956 318 1HA GLY 40 2HA GLY 40 -21.106 -12.463 -3.205 319 2HA GLY 40 1HA GLY 40 -20.619 -11.273 -4.412 320 H SER 41 H SER 41 -18.967 -12.599 -6.073 321 HA SER 41 HA SER 41 -20.153 -15.199 -6.811 322 1HB SER 41 2HB SER 41 -20.072 -13.146 -8.986 323 2HB SER 41 1HB SER 41 -21.108 -14.562 -8.822 324 HG SER 41 HG SER 41 -21.263 -12.075 -7.474 325 H SER 42 H SER 42 -17.992 -12.560 -7.880 326 HA SER 42 HA SER 42 -15.918 -14.632 -8.447 327 1HB SER 42 2HB SER 42 -15.277 -13.484 -10.487 328 2HB SER 42 1HB SER 42 -17.002 -13.827 -10.571 329 HG SER 42 HG SER 42 -15.884 -11.517 -10.866 330 H SER 43 H SER 43 -16.433 -11.095 -8.215 331 HA SER 43 HA SER 43 -14.634 -10.731 -6.028 332 1HB SER 43 2HB SER 43 -13.161 -11.340 -8.194 333 2HB SER 43 1HB SER 43 -13.348 -9.611 -8.474 334 HG SER 43 HG SER 43 -12.051 -9.243 -6.862 335 H ASP 44 H ASP 44 -14.474 -8.474 -5.443 336 HA ASP 44 HA ASP 44 -16.090 -6.616 -7.127 337 1HB ASP 44 2HB ASP 44 -17.132 -7.719 -4.878 338 2HB ASP 44 1HB ASP 44 -16.329 -6.309 -4.184 339 H ARG 45 H ARG 45 -13.440 -6.483 -7.369 340 HA ARG 45 HA ARG 45 -12.019 -4.973 -5.395 341 1HB ARG 45 2HB ARG 45 -11.613 -5.744 -8.227 342 2HB ARG 45 1HB ARG 45 -10.766 -4.282 -7.719 343 1HG ARG 45 2HG ARG 45 -9.629 -5.438 -5.961 344 2HG ARG 45 1HG ARG 45 -10.660 -6.857 -6.134 345 1HD ARG 45 2HD ARG 45 -9.301 -6.125 -8.630 346 2HD ARG 45 1HD ARG 45 -8.184 -6.526 -7.326 347 HE ARG 45 HE ARG 45 -10.204 -8.514 -7.355 348 1HH1 ARG 45 1HH2 ARG 45 -7.606 -7.347 -9.386 349 2HH1 ARG 45 2HH2 ARG 45 -7.348 -8.892 -10.115 350 1HH2 ARG 45 1HH1 ARG 45 -9.836 -10.495 -8.327 351 2HH2 ARG 45 2HH1 ARG 45 -8.595 -10.656 -9.523 352 H LYS 46 H LYS 46 -13.553 -3.304 -4.798 353 HA LYS 46 HA LYS 46 -13.808 -1.113 -6.822 354 1HB LYS 46 2HB LYS 46 -15.558 -1.874 -4.471 355 2HB LYS 46 1HB LYS 46 -15.707 -0.331 -5.311 356 1HG LYS 46 2HG LYS 46 -15.726 -1.988 -7.440 357 2HG LYS 46 1HG LYS 46 -16.428 -3.063 -6.232 358 1HD LYS 46 2HD LYS 46 -17.416 -0.251 -6.778 359 2HD LYS 46 1HD LYS 46 -18.140 -1.706 -7.463 360 1HE LYS 46 2HE LYS 46 -18.494 -2.563 -5.137 361 2HE LYS 46 1HE LYS 46 -17.905 -1.018 -4.521 362 1HZ LYS 46 1HZ LYS 46 -19.709 0.115 -5.417 363 2HZ LYS 46 2HZ LYS 46 -20.404 -1.307 -4.798 364 3HZ LYS 46 3HZ LYS 46 -20.122 -1.152 -6.467 365 H GLY 47 H GLY 47 -12.554 -1.997 -3.702 366 1HA GLY 47 2HA GLY 47 -12.374 0.522 -2.435 367 2HA GLY 47 1HA GLY 47 -11.254 -0.811 -2.165 368 H LEU 48 H LEU 48 -9.617 -1.080 -4.075 369 HA LEU 48 HA LEU 48 -7.978 1.211 -4.212 370 1HB LEU 48 2HB LEU 48 -7.229 -0.009 -6.561 371 2HB LEU 48 1HB LEU 48 -6.615 -0.434 -4.974 372 HG LEU 48 HG LEU 48 -8.249 -2.240 -4.779 373 1HD1 LEU 48 1HD1 LEU 48 -9.468 -2.672 -7.126 374 2HD1 LEU 48 2HD1 LEU 48 -9.353 -0.914 -7.217 375 3HD1 LEU 48 3HD1 LEU 48 -10.205 -1.674 -5.873 376 1HD2 LEU 48 1HD2 LEU 48 -6.272 -2.986 -5.821 377 2HD2 LEU 48 2HD2 LEU 48 -6.608 -2.087 -7.300 378 3HD2 LEU 48 3HD2 LEU 48 -7.543 -3.533 -6.917 379 H ASP 49 H ASP 49 -10.687 0.326 -6.238 380 HA ASP 49 HA ASP 49 -10.166 2.175 -8.385 381 1HB ASP 49 2HB ASP 49 -11.972 0.189 -8.031 382 2HB ASP 49 1HB ASP 49 -12.987 1.583 -7.659 383 H LEU 50 H LEU 50 -12.451 2.387 -5.635 384 HA LEU 50 HA LEU 50 -13.004 5.191 -6.049 385 1HB LEU 50 2HB LEU 50 -13.303 3.590 -3.486 386 2HB LEU 50 1HB LEU 50 -14.138 5.088 -3.899 387 HG LEU 50 HG LEU 50 -14.405 2.773 -5.779 388 1HD1 LEU 50 1HD1 LEU 50 -16.229 1.825 -4.465 389 2HD1 LEU 50 2HD1 LEU 50 -15.986 3.035 -3.206 390 3HD1 LEU 50 3HD1 LEU 50 -14.751 1.812 -3.503 391 1HD2 LEU 50 1HD2 LEU 50 -16.662 3.757 -6.029 392 2HD2 LEU 50 2HD2 LEU 50 -15.407 4.966 -6.293 393 3HD2 LEU 50 3HD2 LEU 50 -16.286 4.927 -4.765 394 H LEU 51 H LEU 51 -10.572 3.403 -4.267 395 HA LEU 51 HA LEU 51 -9.627 5.494 -2.560 396 1HB LEU 51 2HB LEU 51 -9.036 2.908 -2.718 397 2HB LEU 51 1HB LEU 51 -7.741 3.491 -3.763 398 HG LEU 51 HG LEU 51 -7.175 5.141 -1.896 399 1HD1 LEU 51 1HD1 LEU 51 -9.188 5.057 -0.586 400 2HD1 LEU 51 2HD1 LEU 51 -7.917 4.311 0.386 401 3HD1 LEU 51 3HD1 LEU 51 -9.093 3.300 -0.455 402 1HD2 LEU 51 1HD2 LEU 51 -6.073 2.845 -2.446 403 2HD2 LEU 51 2HD2 LEU 51 -6.894 2.282 -0.990 404 3HD2 LEU 51 3HD2 LEU 51 -5.717 3.593 -0.890 405 H ARG 52 H ARG 52 -8.778 4.544 -5.881 406 HA ARG 52 HA ARG 52 -6.620 6.331 -6.305 407 1HB ARG 52 2HB ARG 52 -8.656 5.052 -8.107 408 2HB ARG 52 1HB ARG 52 -7.539 6.249 -8.762 409 1HG ARG 52 2HG ARG 52 -5.692 4.904 -8.455 410 2HG ARG 52 1HG ARG 52 -6.389 4.089 -7.053 411 1HD ARG 52 2HD ARG 52 -6.229 2.616 -9.079 412 2HD ARG 52 1HD ARG 52 -7.875 2.795 -8.475 413 HE ARG 52 HE ARG 52 -7.282 4.778 -10.495 414 1HH1 ARG 52 1HH2 ARG 52 -8.132 1.418 -10.020 415 2HH1 ARG 52 2HH2 ARG 52 -8.872 1.283 -11.576 416 1HH2 ARG 52 1HH1 ARG 52 -8.251 4.558 -12.498 417 2HH2 ARG 52 2HH1 ARG 52 -8.941 3.039 -12.965 418 H MET 53 H MET 53 -10.045 6.946 -6.079 419 HA MET 53 HA MET 53 -9.592 9.740 -7.008 420 1HB MET 53 2HB MET 53 -11.926 9.854 -7.557 421 2HB MET 53 1HB MET 53 -11.324 8.334 -8.204 422 1HG MET 53 2HG MET 53 -12.278 7.098 -6.345 423 2HG MET 53 1HG MET 53 -12.736 8.591 -5.529 424 1HE MET 53 1HE MET 53 -15.091 7.487 -5.271 425 2HE MET 53 2HE MET 53 -16.278 8.329 -6.264 426 3HE MET 53 3HE MET 53 -15.017 9.246 -5.445 427 H LYS 54 H LYS 54 -9.606 8.112 -4.155 428 HA LYS 54 HA LYS 54 -11.003 10.328 -2.720 429 1HB LYS 54 2HB LYS 54 -11.008 7.419 -2.371 430 2HB LYS 54 1HB LYS 54 -10.648 8.276 -0.874 431 1HG LYS 54 2HG LYS 54 -12.860 9.422 -2.476 432 2HG LYS 54 1HG LYS 54 -13.177 7.829 -1.791 433 1HD LYS 54 2HD LYS 54 -12.103 8.960 0.378 434 2HD LYS 54 1HD LYS 54 -12.695 10.427 -0.401 435 1HE LYS 54 2HE LYS 54 -14.929 9.736 -0.303 436 2HE LYS 54 1HE LYS 54 -14.497 8.033 -0.155 437 1HZ LYS 54 1HZ LYS 54 -14.201 10.146 1.905 438 2HZ LYS 54 2HZ LYS 54 -13.532 8.590 2.050 439 3HZ LYS 54 3HZ LYS 54 -15.218 8.789 1.962 440 H VAL 55 H VAL 55 -8.003 8.565 -3.076 441 HA VAL 55 HA VAL 55 -6.717 9.326 -0.650 442 HB VAL 55 HB VAL 55 -4.597 8.990 -1.935 443 1HG1 VAL 55 1HG1 VAL 55 -4.862 6.760 -1.667 444 2HG1 VAL 55 2HG1 VAL 55 -6.165 6.685 -2.850 445 3HG1 VAL 55 3HG1 VAL 55 -6.514 7.134 -1.183 446 1HG2 VAL 55 1HG2 VAL 55 -6.407 8.351 -4.273 447 2HG2 VAL 55 2HG2 VAL 55 -4.650 8.474 -4.267 448 3HG2 VAL 55 3HG2 VAL 55 -5.637 9.924 -4.080 449 H GLU 56 H GLU 56 -5.345 11.087 -0.168 450 HA GLU 56 HA GLU 56 -5.759 13.490 -1.895 451 1HB GLU 56 2HB GLU 56 -5.642 13.041 1.041 452 2HB GLU 56 1HB GLU 56 -4.845 14.498 0.454 453 1HG GLU 56 2HG GLU 56 -7.591 13.841 -0.555 454 2HG GLU 56 1HG GLU 56 -7.416 14.551 1.050 455 H GLU 57 H GLU 57 -3.944 14.493 -2.723 456 HA GLU 57 HA GLU 57 -1.489 13.179 -2.989 457 1HB GLU 57 2HB GLU 57 -0.547 15.407 -3.609 458 2HB GLU 57 1HB GLU 57 -2.086 15.071 -4.404 459 1HG GLU 57 2HG GLU 57 -3.010 16.273 -2.175 460 2HG GLU 57 1HG GLU 57 -1.441 17.068 -2.295 461 H GLY 58 H GLY 58 -0.435 12.408 -1.213 462 1HA GLY 58 2HA GLY 58 1.433 13.106 0.302 463 2HA GLY 58 1HA GLY 58 0.382 14.408 0.856 464 H ASP 59 H ASP 59 -1.221 11.383 0.298 465 HA ASP 59 HA ASP 59 -1.451 11.055 3.244 466 1HB ASP 59 2HB ASP 59 -3.486 9.828 2.822 467 2HB ASP 59 1HB ASP 59 -3.541 11.295 1.852 468 H VAL 60 H VAL 60 -1.957 8.514 3.698 469 HA VAL 60 HA VAL 60 0.262 6.972 2.406 470 HB VAL 60 HB VAL 60 0.245 5.705 4.701 471 1HG1 VAL 60 1HG1 VAL 60 1.508 8.305 3.963 472 2HG1 VAL 60 2HG1 VAL 60 2.254 6.735 4.263 473 3HG1 VAL 60 3HG1 VAL 60 1.721 7.731 5.617 474 1HG2 VAL 60 1HG2 VAL 60 -0.252 7.258 6.609 475 2HG2 VAL 60 2HG2 VAL 60 -1.689 6.790 5.700 476 3HG2 VAL 60 3HG2 VAL 60 -0.969 8.381 5.455 477 H ILE 61 H ILE 61 -0.372 5.062 1.528 478 HA ILE 61 HA ILE 61 -3.155 4.135 2.099 479 HB ILE 61 HB ILE 61 -1.384 3.571 -0.295 480 1HG1 ILE 61 2HG1 ILE 61 -3.833 5.338 -0.185 481 2HG1 ILE 61 1HG1 ILE 61 -2.210 5.976 0.070 482 1HG2 ILE 61 1HG2 ILE 61 -2.960 1.788 -0.052 483 2HG2 ILE 61 2HG2 ILE 61 -3.622 2.863 -1.283 484 3HG2 ILE 61 3HG2 ILE 61 -4.260 2.906 0.362 485 1HD1 ILE 61 1HD1 ILE 61 -2.920 4.337 -2.368 486 2HD1 ILE 61 2HD1 ILE 61 -1.516 5.375 -2.124 487 3HD1 ILE 61 3HD1 ILE 61 -3.115 6.089 -2.328 488 H LEU 62 H LEU 62 -2.886 2.666 3.771 489 HA LEU 62 HA LEU 62 -0.647 0.786 3.816 490 1HB LEU 62 2HB LEU 62 -3.002 1.387 5.549 491 2HB LEU 62 1HB LEU 62 -2.309 -0.232 5.662 492 HG LEU 62 HG LEU 62 -0.489 2.156 5.723 493 1HD1 LEU 62 1HD1 LEU 62 -1.907 2.847 7.449 494 2HD1 LEU 62 2HD1 LEU 62 -0.741 1.847 8.315 495 3HD1 LEU 62 3HD1 LEU 62 -2.327 1.194 7.899 496 1HD2 LEU 62 1HD2 LEU 62 -0.475 -0.683 6.766 497 2HD2 LEU 62 2HD2 LEU 62 0.694 0.516 7.320 498 3HD2 LEU 62 3HD2 LEU 62 0.638 0.062 5.617 499 H VAL 63 H VAL 63 -0.627 -1.174 2.825 500 HA VAL 63 HA VAL 63 -3.247 -2.323 1.943 501 HB VAL 63 HB VAL 63 -0.610 -2.517 0.458 502 1HG1 VAL 63 1HG1 VAL 63 -3.434 -3.445 -0.071 503 2HG1 VAL 63 2HG1 VAL 63 -1.943 -4.388 -0.116 504 3HG1 VAL 63 3HG1 VAL 63 -2.281 -3.211 -1.387 505 1HG2 VAL 63 1HG2 VAL 63 -1.359 -0.225 0.343 506 2HG2 VAL 63 2HG2 VAL 63 -3.024 -0.727 0.050 507 3HG2 VAL 63 3HG2 VAL 63 -1.791 -0.992 -1.185 508 H LYS 64 H LYS 64 -3.552 -4.469 2.406 509 HA LYS 64 HA LYS 64 -1.475 -5.809 4.031 510 1HB LYS 64 2HB LYS 64 -4.407 -6.068 3.650 511 2HB LYS 64 1HB LYS 64 -3.544 -7.578 3.938 512 1HG LYS 64 2HG LYS 64 -2.975 -5.194 5.675 513 2HG LYS 64 1HG LYS 64 -4.402 -6.182 5.988 514 1HD LYS 64 2HD LYS 64 -1.688 -7.447 5.635 515 2HD LYS 64 1HD LYS 64 -2.204 -6.824 7.201 516 1HE LYS 64 2HE LYS 64 -3.787 -8.458 7.486 517 2HE LYS 64 1HE LYS 64 -4.149 -8.552 5.762 518 1HZ LYS 64 1HZ LYS 64 -1.763 -9.663 7.134 519 2HZ LYS 64 2HZ LYS 64 -1.990 -9.658 5.450 520 3HZ LYS 64 3HZ LYS 64 -3.040 -10.544 6.449 521 H LYS 65 H LYS 65 -1.808 -8.452 3.491 522 HA LYS 65 HA LYS 65 -1.599 -8.850 0.566 523 1HB LYS 65 2HB LYS 65 0.675 -8.968 2.480 524 2HB LYS 65 1HB LYS 65 0.580 -10.273 1.297 525 1HG LYS 65 2HG LYS 65 0.237 -8.413 -0.456 526 2HG LYS 65 1HG LYS 65 0.804 -7.306 0.793 527 1HD LYS 65 2HD LYS 65 2.758 -7.900 -0.418 528 2HD LYS 65 1HD LYS 65 2.818 -8.888 1.042 529 1HE LYS 65 2HE LYS 65 3.226 -10.508 -0.566 530 2HE LYS 65 1HE LYS 65 1.467 -10.604 -0.463 531 1HZ LYS 65 1HZ LYS 65 2.536 -10.390 -2.760 532 2HZ LYS 65 2HZ LYS 65 2.777 -8.757 -2.356 533 3HZ LYS 65 3HZ LYS 65 1.205 -9.400 -2.408 534 H LEU 66 H LEU 66 -3.700 -9.838 1.692 535 HA LEU 66 HA LEU 66 -3.468 -12.289 3.160 536 1HB LEU 66 2HB LEU 66 -5.618 -10.976 1.533 537 2HB LEU 66 1HB LEU 66 -5.823 -12.663 2.007 538 HG LEU 66 HG LEU 66 -5.093 -10.500 3.990 539 1HD1 LEU 66 1HD1 LEU 66 -7.490 -10.484 4.614 540 2HD1 LEU 66 2HD1 LEU 66 -7.841 -11.560 3.262 541 3HD1 LEU 66 3HD1 LEU 66 -7.252 -9.925 2.958 542 1HD2 LEU 66 1HD2 LEU 66 -4.619 -12.766 4.729 543 2HD2 LEU 66 2HD2 LEU 66 -6.215 -13.310 4.210 544 3HD2 LEU 66 3HD2 LEU 66 -6.062 -12.201 5.572 545 H ASP 67 H ASP 67 -3.356 -11.527 -0.269 546 HA ASP 67 HA ASP 67 -2.351 -14.244 -0.825 547 1HB ASP 67 2HB ASP 67 -4.934 -13.140 -1.921 548 2HB ASP 67 1HB ASP 67 -3.991 -14.308 -2.848 549 H ARG 68 H ARG 68 -3.613 -11.441 -2.669 550 HA ARG 68 HA ARG 68 -1.064 -10.444 -3.463 551 1HB ARG 68 2HB ARG 68 -1.084 -11.221 -5.852 552 2HB ARG 68 1HB ARG 68 -0.792 -12.522 -4.697 553 1HG ARG 68 2HG ARG 68 -3.058 -13.294 -4.862 554 2HG ARG 68 1HG ARG 68 -3.546 -11.858 -5.765 555 1HD ARG 68 2HD ARG 68 -3.261 -13.323 -7.527 556 2HD ARG 68 1HD ARG 68 -1.618 -12.695 -7.413 557 HE ARG 68 HE ARG 68 -1.750 -14.913 -5.679 558 1HH1 ARG 68 1HH2 ARG 68 -2.092 -14.256 -9.098 559 2HH1 ARG 68 2HH2 ARG 68 -1.538 -15.828 -9.557 560 1HH2 ARG 68 1HH1 ARG 68 -1.039 -16.937 -6.320 561 2HH2 ARG 68 2HH1 ARG 68 -0.947 -17.330 -8.005 562 H LEU 69 H LEU 69 -1.324 -8.497 -4.586 563 HA LEU 69 HA LEU 69 -3.783 -7.144 -4.517 564 1HB LEU 69 2HB LEU 69 -1.217 -6.792 -6.035 565 2HB LEU 69 1HB LEU 69 -2.576 -5.723 -6.371 566 HG LEU 69 HG LEU 69 -0.943 -4.884 -4.638 567 1HD1 LEU 69 1HD1 LEU 69 -2.683 -4.012 -3.185 568 2HD1 LEU 69 2HD1 LEU 69 -3.774 -5.306 -3.681 569 3HD1 LEU 69 3HD1 LEU 69 -3.275 -4.077 -4.844 570 1HD2 LEU 69 1HD2 LEU 69 -1.115 -5.806 -2.361 571 2HD2 LEU 69 2HD2 LEU 69 -0.490 -7.005 -3.492 572 3HD2 LEU 69 3HD2 LEU 69 -2.171 -7.082 -2.965 573 H GLY 70 H GLY 70 -2.196 -7.978 -7.608 574 1HA GLY 70 2HA GLY 70 -4.905 -8.339 -8.796 575 2HA GLY 70 1HA GLY 70 -3.438 -7.981 -9.709 576 H ARG 71 H ARG 71 -3.344 -9.760 -11.053 577 HA ARG 71 HA ARG 71 -2.928 -12.392 -9.715 578 1HB ARG 71 2HB ARG 71 -5.269 -11.910 -10.930 579 2HB ARG 71 1HB ARG 71 -4.327 -12.358 -12.352 580 1HG ARG 71 2HG ARG 71 -3.698 -14.238 -10.293 581 2HG ARG 71 1HG ARG 71 -5.452 -14.076 -10.339 582 1HD ARG 71 2HD ARG 71 -3.929 -14.377 -12.912 583 2HD ARG 71 1HD ARG 71 -4.274 -15.802 -11.931 584 HE ARG 71 HE ARG 71 -6.670 -14.256 -12.278 585 1HH1 ARG 71 1HH2 ARG 71 -4.497 -16.387 -14.002 586 2HH1 ARG 71 2HH2 ARG 71 -5.732 -16.936 -15.081 587 1HH2 ARG 71 1HH1 ARG 71 -8.235 -14.993 -13.697 588 2HH2 ARG 71 2HH1 ARG 71 -7.826 -16.158 -14.912 589 H ASP 72 H ASP 72 -2.950 -11.073 -13.047 590 HA ASP 72 HA ASP 72 -0.077 -11.846 -13.277 591 1HB ASP 72 2HB ASP 72 -2.376 -12.685 -15.026 592 2HB ASP 72 1HB ASP 72 -0.764 -12.511 -15.720 593 H THR 73 H THR 73 -2.800 -10.103 -14.795 594 HA THR 73 HA THR 73 -1.185 -8.450 -16.492 595 HB THR 73 HB THR 73 -3.889 -7.784 -15.291 596 HG1 THR 73 1HG THR 73 -4.639 -9.265 -16.548 597 1HG2 THR 73 1HG2 THR 73 -2.993 -5.845 -16.337 598 2HG2 THR 73 2HG2 THR 73 -4.071 -6.561 -17.535 599 3HG2 THR 73 3HG2 THR 73 -2.327 -6.783 -17.674 600 H ALA 74 H ALA 74 -0.865 -6.078 -16.188 601 HA ALA 74 HA ALA 74 0.351 -5.521 -13.620 602 1HB ALA 74 1HB ALA 74 1.198 -3.626 -14.628 603 2HB ALA 74 2HB ALA 74 -0.295 -3.299 -15.508 604 3HB ALA 74 3HB ALA 74 0.806 -4.553 -16.076 605 H ASP 75 H ASP 75 -1.783 -6.036 -12.466 606 HA ASP 75 HA ASP 75 -3.715 -3.784 -12.490 607 1HB ASP 75 2HB ASP 75 -3.709 -6.589 -11.459 608 2HB ASP 75 1HB ASP 75 -4.706 -5.411 -10.604 609 H MET 76 H MET 76 -1.402 -5.406 -10.357 610 HA MET 76 HA MET 76 -1.938 -3.683 -8.078 611 1HB MET 76 2HB MET 76 -1.005 -5.946 -7.802 612 2HB MET 76 1HB MET 76 0.427 -5.480 -8.696 613 1HG MET 76 2HG MET 76 -0.304 -3.800 -6.349 614 2HG MET 76 1HG MET 76 0.352 -5.404 -6.025 615 1HE MET 76 1HE MET 76 3.575 -5.767 -7.233 616 2HE MET 76 2HE MET 76 2.176 -6.236 -6.271 617 3HE MET 76 3HE MET 76 3.397 -5.172 -5.577 618 H ILE 77 H ILE 77 0.699 -3.886 -10.482 619 HA ILE 77 HA ILE 77 2.117 -1.587 -9.537 620 HB ILE 77 HB ILE 77 2.044 -2.763 -12.330 621 1HG1 ILE 77 2HG1 ILE 77 4.382 -3.584 -11.120 622 2HG1 ILE 77 1HG1 ILE 77 3.240 -3.645 -9.777 623 1HG2 ILE 77 1HG2 ILE 77 4.588 -1.680 -11.630 624 2HG2 ILE 77 2HG2 ILE 77 3.376 -0.455 -11.250 625 3HG2 ILE 77 3HG2 ILE 77 3.475 -1.123 -12.877 626 1HD1 ILE 77 1HD1 ILE 77 3.550 -5.662 -11.572 627 2HD1 ILE 77 2HD1 ILE 77 2.247 -4.752 -12.341 628 3HD1 ILE 77 3HD1 ILE 77 2.049 -5.360 -10.697 629 H GLN 78 H GLN 78 -0.832 -1.857 -11.326 630 HA GLN 78 HA GLN 78 -0.681 0.622 -12.777 631 1HB GLN 78 2HB GLN 78 -2.454 -1.486 -12.692 632 2HB GLN 78 1HB GLN 78 -3.369 -0.213 -11.887 633 1HG GLN 78 2HG GLN 78 -1.951 0.218 -14.526 634 2HG GLN 78 1HG GLN 78 -3.630 -0.316 -14.421 635 1HE2 GLN 78 1HE2 GLN 78 -1.584 2.455 -14.349 636 2HE2 GLN 78 2HE2 GLN 78 -2.754 3.583 -13.861 637 H LEU 79 H LEU 79 -2.829 -0.048 -9.986 638 HA LEU 79 HA LEU 79 -3.202 2.693 -9.348 639 1HB LEU 79 2HB LEU 79 -4.161 1.952 -7.247 640 2HB LEU 79 1HB LEU 79 -4.668 0.851 -8.520 641 HG LEU 79 HG LEU 79 -2.208 0.182 -6.933 642 1HD1 LEU 79 1HD1 LEU 79 -3.518 0.458 -5.063 643 2HD1 LEU 79 2HD1 LEU 79 -4.034 -1.163 -5.530 644 3HD1 LEU 79 3HD1 LEU 79 -5.020 0.234 -5.960 645 1HD2 LEU 79 1HD2 LEU 79 -4.283 -1.213 -8.570 646 2HD2 LEU 79 2HD2 LEU 79 -3.509 -2.115 -7.266 647 3HD2 LEU 79 3HD2 LEU 79 -2.533 -1.430 -8.563 648 H ILE 80 H ILE 80 -0.643 0.463 -8.466 649 HA ILE 80 HA ILE 80 0.503 1.997 -6.327 650 HB ILE 80 HB ILE 80 1.636 -0.033 -8.274 651 1HG1 ILE 80 2HG1 ILE 80 0.055 -0.812 -6.527 652 2HG1 ILE 80 1HG1 ILE 80 1.669 -1.464 -6.277 653 1HG2 ILE 80 1HG2 ILE 80 3.663 -0.107 -6.807 654 2HG2 ILE 80 2HG2 ILE 80 3.080 1.336 -5.980 655 3HG2 ILE 80 3HG2 ILE 80 3.513 1.413 -7.687 656 1HD1 ILE 80 1HD1 ILE 80 1.566 1.007 -4.890 657 2HD1 ILE 80 2HD1 ILE 80 1.654 -0.612 -4.201 658 3HD1 ILE 80 3HD1 ILE 80 0.085 0.135 -4.496 659 H LYS 81 H LYS 81 0.708 2.193 -9.842 660 HA LYS 81 HA LYS 81 2.796 4.264 -9.762 661 1HB LYS 81 2HB LYS 81 1.618 2.541 -11.762 662 2HB LYS 81 1HB LYS 81 1.526 4.213 -12.311 663 1HG LYS 81 2HG LYS 81 3.669 3.887 -12.992 664 2HG LYS 81 1HG LYS 81 4.072 4.120 -11.291 665 1HD LYS 81 2HD LYS 81 5.103 2.080 -11.686 666 2HD LYS 81 1HD LYS 81 3.517 1.534 -11.141 667 1HE LYS 81 2HE LYS 81 2.937 0.756 -13.203 668 2HE LYS 81 1HE LYS 81 3.697 2.109 -14.038 669 1HZ LYS 81 1HZ LYS 81 5.713 1.073 -14.087 670 2HZ LYS 81 2HZ LYS 81 4.699 -0.284 -14.181 671 3HZ LYS 81 3HZ LYS 81 5.416 0.143 -12.702 672 H GLU 82 H GLU 82 -0.702 4.026 -10.229 673 HA GLU 82 HA GLU 82 -1.177 6.753 -10.953 674 1HB GLU 82 2HB GLU 82 -2.762 4.618 -10.888 675 2HB GLU 82 1HB GLU 82 -3.166 5.252 -9.293 676 1HG GLU 82 2HG GLU 82 -4.719 6.372 -10.611 677 2HG GLU 82 1HG GLU 82 -3.395 7.537 -10.597 678 H PHE 83 H PHE 83 -0.795 5.134 -7.842 679 HA PHE 83 HA PHE 83 -1.540 7.503 -6.293 680 1HB PHE 83 2HB PHE 83 -0.281 4.847 -5.571 681 2HB PHE 83 1HB PHE 83 -0.564 6.117 -4.381 682 HD1 PHE 83 1HD PHE 83 -3.090 7.256 -4.909 683 HD2 PHE 83 2HD PHE 83 -1.891 3.165 -5.444 684 HE1 PHE 83 1HE PHE 83 -5.450 6.532 -4.695 685 HE2 PHE 83 2HE PHE 83 -4.252 2.445 -5.225 686 HZ PHE 83 HZ PHE 83 -6.032 4.128 -4.850 687 H ASP 84 H ASP 84 1.448 5.924 -7.356 688 HA ASP 84 HA ASP 84 3.283 7.518 -5.852 689 1HB ASP 84 2HB ASP 84 3.605 5.378 -7.409 690 2HB ASP 84 1HB ASP 84 3.988 6.607 -8.612 691 H ALA 85 H ALA 85 1.611 8.034 -8.904 692 HA ALA 85 HA ALA 85 3.106 10.475 -9.529 693 1HB ALA 85 1HB ALA 85 0.626 9.220 -10.737 694 2HB ALA 85 2HB ALA 85 2.265 9.177 -11.386 695 3HB ALA 85 3HB ALA 85 1.371 10.697 -11.349 696 H GLN 86 H GLN 86 0.228 9.646 -7.730 697 HA GLN 86 HA GLN 86 -0.885 12.343 -7.836 698 1HB GLN 86 2HB GLN 86 -1.693 9.716 -6.857 699 2HB GLN 86 1HB GLN 86 -2.078 10.988 -5.700 700 1HG GLN 86 2HG GLN 86 -2.743 11.288 -8.628 701 2HG GLN 86 1HG GLN 86 -3.838 10.461 -7.520 702 1HE2 GLN 86 1HE2 GLN 86 -3.617 13.357 -8.922 703 2HE2 GLN 86 2HE2 GLN 86 -4.136 14.374 -7.667 704 H GLY 87 H GLY 87 1.828 11.238 -6.325 705 1HA GLY 87 2HA GLY 87 3.121 12.222 -4.624 706 2HA GLY 87 1HA GLY 87 1.859 13.440 -4.438 707 H VAL 88 H VAL 88 1.166 10.009 -4.265 708 HA VAL 88 HA VAL 88 0.621 10.334 -1.343 709 HB VAL 88 HB VAL 88 -0.768 8.555 -3.374 710 1HG1 VAL 88 1HG1 VAL 88 -0.873 7.394 -1.306 711 2HG1 VAL 88 2HG1 VAL 88 -2.386 8.293 -1.376 712 3HG1 VAL 88 3HG1 VAL 88 -1.055 8.886 -0.383 713 1HG2 VAL 88 1HG2 VAL 88 -1.710 11.008 -1.858 714 2HG2 VAL 88 2HG2 VAL 88 -2.700 10.034 -2.943 715 3HG2 VAL 88 3HG2 VAL 88 -1.333 10.950 -3.578 716 H SER 89 H SER 89 1.123 8.522 0.009 717 HA SER 89 HA SER 89 3.241 6.774 -1.140 718 1HB SER 89 2HB SER 89 2.751 8.001 1.512 719 2HB SER 89 1HB SER 89 3.394 6.361 1.544 720 HG SER 89 HG SER 89 4.569 8.721 0.777 721 H ILE 90 H ILE 90 3.271 4.500 -0.387 722 HA ILE 90 HA ILE 90 0.588 3.472 0.414 723 HB ILE 90 HB ILE 90 2.332 2.299 -1.779 724 1HG1 ILE 90 2HG1 ILE 90 -0.295 3.823 -1.891 725 2HG1 ILE 90 1HG1 ILE 90 1.259 4.405 -2.471 726 1HG2 ILE 90 1HG2 ILE 90 0.485 0.745 -2.115 727 2HG2 ILE 90 2HG2 ILE 90 -0.471 1.554 -0.874 728 3HG2 ILE 90 3HG2 ILE 90 0.986 0.664 -0.427 729 1HD1 ILE 90 1HD1 ILE 90 -0.363 3.416 -4.213 730 2HD1 ILE 90 2HD1 ILE 90 0.043 1.851 -3.525 731 3HD1 ILE 90 3HD1 ILE 90 1.302 2.848 -4.252 732 H ARG 91 H ARG 91 1.143 2.809 2.454 733 HA ARG 91 HA ARG 91 3.709 1.547 3.032 734 1HB ARG 91 2HB ARG 91 1.199 1.829 4.714 735 2HB ARG 91 1HB ARG 91 2.760 1.262 5.310 736 1HG ARG 91 2HG ARG 91 3.484 3.599 4.076 737 2HG ARG 91 1HG ARG 91 1.873 4.007 4.664 738 1HD ARG 91 2HD ARG 91 2.512 3.935 6.852 739 2HD ARG 91 1HD ARG 91 3.586 2.559 6.597 740 HE ARG 91 HE ARG 91 4.635 4.953 5.358 741 1HH1 ARG 91 1HH2 ARG 91 4.271 3.296 8.417 742 2HH1 ARG 91 2HH2 ARG 91 5.663 4.056 9.109 743 1HH2 ARG 91 1HH1 ARG 91 6.426 5.912 6.292 744 2HH2 ARG 91 2HH1 ARG 91 6.871 5.522 7.920 745 H PHE 92 H PHE 92 4.092 -0.636 3.394 746 HA PHE 92 HA PHE 92 1.896 -2.491 2.573 747 1HB PHE 92 2HB PHE 92 4.876 -2.526 2.196 748 2HB PHE 92 1HB PHE 92 3.996 -4.052 2.244 749 HD1 PHE 92 1HD PHE 92 3.275 -0.654 0.800 750 HD2 PHE 92 2HD PHE 92 3.596 -4.881 0.110 751 HE1 PHE 92 1HE PHE 92 2.560 -0.324 -1.550 752 HE2 PHE 92 2HE PHE 92 2.879 -4.552 -2.242 753 HZ PHE 92 HZ PHE 92 2.363 -2.272 -3.072 754 H ILE 93 H ILE 93 1.451 -4.273 3.895 755 HA ILE 93 HA ILE 93 2.045 -4.023 6.691 756 HB ILE 93 HB ILE 93 0.002 -5.127 5.837 757 1HG1 ILE 93 2HG1 ILE 93 0.101 -7.150 7.316 758 2HG1 ILE 93 1HG1 ILE 93 1.841 -6.901 7.473 759 1HG2 ILE 93 1HG2 ILE 93 0.254 -7.497 4.981 760 2HG2 ILE 93 2HG2 ILE 93 1.983 -7.187 4.835 761 3HG2 ILE 93 3HG2 ILE 93 0.836 -6.250 3.878 762 1HD1 ILE 93 1HD1 ILE 93 1.506 -4.743 8.511 763 2HD1 ILE 93 2HD1 ILE 93 0.491 -5.909 9.357 764 3HD1 ILE 93 3HD1 ILE 93 -0.226 -4.804 8.186 765 H ASP 94 H ASP 94 3.607 -5.739 4.063 766 HA ASP 94 HA ASP 94 5.378 -7.170 5.971 767 1HB ASP 94 2HB ASP 94 6.237 -8.296 3.905 768 2HB ASP 94 1HB ASP 94 4.502 -8.518 4.144 769 H ASP 95 H ASP 95 5.504 -4.224 5.550 770 HA ASP 95 HA ASP 95 8.359 -3.947 5.400 771 1HB ASP 95 2HB ASP 95 7.377 -4.231 2.905 772 2HB ASP 95 1HB ASP 95 7.140 -2.496 3.104 773 H GLY 96 H GLY 96 5.617 -1.928 4.296 774 1HA GLY 96 2HA GLY 96 4.617 -0.252 5.819 775 2HA GLY 96 1HA GLY 96 6.205 -0.072 6.565 776 H ILE 97 H ILE 97 6.032 -0.365 3.101 777 HA ILE 97 HA ILE 97 5.984 2.526 2.637 778 HB ILE 97 HB ILE 97 8.233 2.443 1.468 779 1HG1 ILE 97 2HG1 ILE 97 8.721 -0.002 3.176 780 2HG1 ILE 97 1HG1 ILE 97 8.206 -0.137 1.493 781 1HG2 ILE 97 1HG2 ILE 97 9.362 3.084 3.404 782 2HG2 ILE 97 2HG2 ILE 97 8.617 1.818 4.380 783 3HG2 ILE 97 3HG2 ILE 97 7.682 3.240 3.917 784 1HD1 ILE 97 1HD1 ILE 97 10.564 1.578 2.261 785 2HD1 ILE 97 2HD1 ILE 97 10.168 0.893 0.685 786 3HD1 ILE 97 3HD1 ILE 97 10.752 -0.152 1.978 787 H SER 98 H SER 98 6.772 2.743 0.113 788 HA SER 98 HA SER 98 4.768 1.382 -1.410 789 1HB SER 98 2HB SER 98 7.264 2.878 -2.255 790 2HB SER 98 1HB SER 98 6.067 2.271 -3.395 791 HG SER 98 HG SER 98 5.752 4.194 -1.338 792 H THR 99 H THR 99 5.210 -0.125 -3.241 793 HA THR 99 HA THR 99 6.808 -2.374 -2.367 794 HB THR 99 HB THR 99 4.766 -2.731 -3.667 795 HG1 THR 99 1HG THR 99 5.616 -4.205 -5.064 796 1HG2 THR 99 1HG2 THR 99 4.324 -1.168 -5.240 797 2HG2 THR 99 2HG2 THR 99 5.386 -2.108 -6.288 798 3HG2 THR 99 3HG2 THR 99 6.024 -0.725 -5.402 799 H ASP 100 H ASP 100 8.824 -0.946 -2.220 800 HA ASP 100 HA ASP 100 10.133 -0.104 -4.660 801 1HB ASP 100 2HB ASP 100 10.611 0.818 -2.364 802 2HB ASP 100 1HB ASP 100 11.410 -0.706 -1.977 803 H GLY 101 H GLY 101 9.642 -2.289 -5.717 804 1HA GLY 101 2HA GLY 101 11.998 -3.752 -6.170 805 2HA GLY 101 1HA GLY 101 11.101 -4.642 -4.939 806 H GLU 102 H GLU 102 9.790 -2.756 -7.650 807 HA GLU 102 HA GLU 102 8.632 -5.297 -8.726 808 1HB GLU 102 2HB GLU 102 6.702 -3.881 -9.493 809 2HB GLU 102 1HB GLU 102 6.852 -3.972 -7.738 810 1HG GLU 102 2HG GLU 102 7.881 -1.800 -7.632 811 2HG GLU 102 1HG GLU 102 8.041 -1.729 -9.387 812 H MET 103 H MET 103 8.668 -5.535 -10.978 813 HA MET 103 HA MET 103 10.716 -4.084 -12.404 814 1HB MET 103 2HB MET 103 8.567 -5.999 -13.360 815 2HB MET 103 1HB MET 103 9.860 -5.377 -14.386 816 1HG MET 103 2HG MET 103 11.406 -6.242 -12.422 817 2HG MET 103 1HG MET 103 10.024 -7.281 -12.076 818 1HE MET 103 1HE MET 103 11.531 -10.120 -13.847 819 2HE MET 103 2HE MET 103 10.318 -9.548 -12.705 820 3HE MET 103 3HE MET 103 12.012 -9.128 -12.465 821 H GLY 104 H GLY 104 7.267 -4.402 -13.309 822 1HA GLY 104 2HA GLY 104 5.749 -2.643 -13.853 823 2HA GLY 104 1HA GLY 104 7.066 -1.484 -13.685 824 H LYS 105 H LYS 105 6.717 -4.417 -15.699 825 HA LYS 105 HA LYS 105 6.980 -4.719 -18.009 826 1HB LYS 105 2HB LYS 105 6.210 -1.789 -18.172 827 2HB LYS 105 1HB LYS 105 6.097 -2.985 -19.464 828 1HG LYS 105 2HG LYS 105 4.639 -4.284 -17.653 829 2HG LYS 105 1HG LYS 105 4.381 -2.649 -17.040 830 1HD LYS 105 2HD LYS 105 2.632 -2.889 -18.582 831 2HD LYS 105 1HD LYS 105 3.866 -2.061 -19.532 832 1HE LYS 105 2HE LYS 105 3.154 -3.837 -20.928 833 2HE LYS 105 1HE LYS 105 4.659 -4.419 -20.216 834 1HZ LYS 105 1HZ LYS 105 3.125 -5.373 -18.412 835 2HZ LYS 105 2HZ LYS 105 3.212 -6.176 -19.908 836 3HZ LYS 105 3HZ LYS 105 1.887 -5.173 -19.554 Start of MODEL 6 1 1H MET 1 1HT MET 1 -3.296 15.597 5.685 2 HA MET 1 HA MET 1 -2.466 13.703 4.849 3 1HB MET 1 2HB MET 1 -0.572 13.993 6.635 4 2HB MET 1 1HB MET 1 -1.461 12.755 7.523 5 1HG MET 1 2HG MET 1 -1.255 11.191 5.704 6 2HG MET 1 1HG MET 1 -0.614 12.436 4.634 7 1HE MET 1 1HE MET 1 1.092 10.344 8.191 8 2HE MET 1 2HE MET 1 0.943 9.369 6.731 9 3HE MET 1 3HE MET 1 -0.465 10.220 7.362 10 H ARG 2 H ARG 2 -3.128 11.385 4.908 11 HA ARG 2 HA ARG 2 -5.258 10.784 6.899 12 1HB ARG 2 2HB ARG 2 -5.742 10.106 4.008 13 2HB ARG 2 1HB ARG 2 -6.909 10.300 5.311 14 1HG ARG 2 2HG ARG 2 -5.990 12.803 5.286 15 2HG ARG 2 1HG ARG 2 -5.590 12.386 3.620 16 1HD ARG 2 2HD ARG 2 -7.855 11.907 3.082 17 2HD ARG 2 1HD ARG 2 -8.329 11.863 4.781 18 HE ARG 2 HE ARG 2 -8.107 14.245 3.136 19 1HH1 ARG 2 1HH2 ARG 2 -7.801 13.004 6.392 20 2HH1 ARG 2 2HH2 ARG 2 -8.123 14.542 7.114 21 1HH2 ARG 2 1HH1 ARG 2 -8.518 16.214 4.114 22 2HH2 ARG 2 2HH1 ARG 2 -8.524 16.340 5.842 23 H LEU 3 H LEU 3 -5.544 8.550 7.282 24 HA LEU 3 HA LEU 3 -3.326 6.849 6.244 25 1HB LEU 3 2HB LEU 3 -5.157 6.404 8.623 26 2HB LEU 3 1HB LEU 3 -3.759 5.420 8.189 27 HG LEU 3 HG LEU 3 -3.295 8.345 8.488 28 1HD1 LEU 3 1HD1 LEU 3 -3.784 6.474 10.826 29 2HD1 LEU 3 2HD1 LEU 3 -4.723 7.910 10.421 30 3HD1 LEU 3 3HD1 LEU 3 -3.050 8.073 10.959 31 1HD2 LEU 3 1HD2 LEU 3 -1.768 5.938 9.517 32 2HD2 LEU 3 2HD2 LEU 3 -1.158 7.580 9.308 33 3HD2 LEU 3 3HD2 LEU 3 -1.553 6.600 7.896 34 H PHE 4 H PHE 4 -4.477 6.474 4.207 35 HA PHE 4 HA PHE 4 -7.069 5.111 4.264 36 1HB PHE 4 2HB PHE 4 -5.106 5.875 2.109 37 2HB PHE 4 1HB PHE 4 -6.442 4.779 1.755 38 HD1 PHE 4 1HD PHE 4 -8.815 5.565 2.570 39 HD2 PHE 4 2HD PHE 4 -5.460 8.184 1.993 40 HE1 PHE 4 1HE PHE 4 -10.356 7.501 2.383 41 HE2 PHE 4 2HE PHE 4 -7.001 10.118 1.806 42 HZ PHE 4 HZ PHE 4 -9.449 9.777 2.003 43 H GLY 5 H GLY 5 -7.402 2.908 4.112 44 1HA GLY 5 2HA GLY 5 -4.987 1.176 3.781 45 2HA GLY 5 1HA GLY 5 -6.165 0.854 5.053 46 H TYR 6 H TYR 6 -5.263 -0.434 2.303 47 HA TYR 6 HA TYR 6 -7.952 -0.750 1.076 48 1HB TYR 6 2HB TYR 6 -6.002 -0.308 -0.408 49 2HB TYR 6 1HB TYR 6 -5.238 -1.786 0.175 50 HD1 TYR 6 1HD TYR 6 -8.694 -0.847 -0.966 51 HD2 TYR 6 2HD TYR 6 -5.358 -3.524 -1.358 52 HE1 TYR 6 1HE TYR 6 -9.945 -2.162 -2.652 53 HE2 TYR 6 2HE TYR 6 -6.611 -4.839 -3.046 54 HH TYR 6 HH TYR 6 -9.388 -5.110 -3.472 55 H ALA 7 H ALA 7 -9.138 -2.595 1.392 56 HA ALA 7 HA ALA 7 -7.760 -4.944 2.629 57 1HB ALA 7 1HB ALA 7 -8.922 -4.259 4.498 58 2HB ALA 7 2HB ALA 7 -10.202 -5.188 3.719 59 3HB ALA 7 3HB ALA 7 -10.161 -3.432 3.553 60 H ARG 8 H ARG 8 -8.871 -6.987 2.252 61 HA ARG 8 HA ARG 8 -11.032 -7.083 0.271 62 1HB ARG 8 2HB ARG 8 -8.961 -6.873 -1.129 63 2HB ARG 8 1HB ARG 8 -8.351 -8.350 -0.381 64 1HG ARG 8 2HG ARG 8 -9.725 -9.683 -1.608 65 2HG ARG 8 1HG ARG 8 -11.099 -8.596 -1.425 66 1HD ARG 8 2HD ARG 8 -10.532 -8.607 -3.757 67 2HD ARG 8 1HD ARG 8 -9.976 -7.066 -3.107 68 HE ARG 8 HE ARG 8 -7.778 -7.729 -3.603 69 1HH1 ARG 8 1HH2 ARG 8 -9.855 -10.539 -3.440 70 2HH1 ARG 8 2HH2 ARG 8 -8.604 -11.617 -3.951 71 1HH2 ARG 8 1HH1 ARG 8 -6.189 -9.161 -4.262 72 2HH2 ARG 8 2HH1 ARG 8 -6.551 -10.849 -4.411 73 H VAL 9 H VAL 9 -12.318 -8.723 0.923 74 HA VAL 9 HA VAL 9 -11.531 -10.485 3.057 75 HB VAL 9 HB VAL 9 -13.749 -11.485 2.769 76 1HG1 VAL 9 1HG1 VAL 9 -13.553 -8.483 2.523 77 2HG1 VAL 9 2HG1 VAL 9 -13.754 -9.444 3.986 78 3HG1 VAL 9 3HG1 VAL 9 -15.081 -9.307 2.835 79 1HG2 VAL 9 1HG2 VAL 9 -15.037 -10.079 0.802 80 2HG2 VAL 9 2HG2 VAL 9 -14.379 -11.701 0.586 81 3HG2 VAL 9 3HG2 VAL 9 -13.442 -10.297 0.080 82 H SER 10 H SER 10 -12.434 -12.957 2.509 83 HA SER 10 HA SER 10 -11.502 -14.068 0.016 84 1HB SER 10 2HB SER 10 -9.308 -13.493 1.046 85 2HB SER 10 1HB SER 10 -9.725 -14.483 2.442 86 HG SER 10 HG SER 10 -8.764 -15.218 0.026 87 H THR 11 H THR 11 -12.078 -14.635 3.485 88 HA THR 11 HA THR 11 -13.006 -17.375 2.915 89 HB THR 11 HB THR 11 -11.662 -17.037 4.935 90 HG1 THR 11 1HG THR 11 -12.944 -18.223 6.176 91 1HG2 THR 11 1HG2 THR 11 -13.821 -15.029 5.594 92 2HG2 THR 11 2HG2 THR 11 -12.083 -14.754 5.475 93 3HG2 THR 11 3HG2 THR 11 -12.737 -15.693 6.817 94 H SER 12 H SER 12 -15.163 -18.076 3.395 95 HA SER 12 HA SER 12 -17.208 -16.156 2.704 96 1HB SER 12 2HB SER 12 -17.214 -19.048 3.507 97 2HB SER 12 1HB SER 12 -18.730 -18.158 3.387 98 HG SER 12 HG SER 12 -16.881 -18.864 1.407 99 H GLN 13 H GLN 13 -15.898 -17.286 5.701 100 HA GLN 13 HA GLN 13 -18.198 -16.396 7.281 101 1HB GLN 13 2HB GLN 13 -16.768 -17.020 9.192 102 2HB GLN 13 1HB GLN 13 -16.837 -18.306 7.992 103 1HG GLN 13 2HG GLN 13 -14.631 -18.131 7.483 104 2HG GLN 13 1HG GLN 13 -14.653 -16.370 7.557 105 1HE2 GLN 13 1HE2 GLN 13 -12.750 -18.389 8.845 106 2HE2 GLN 13 2HE2 GLN 13 -12.763 -17.991 10.495 107 H GLN 14 H GLN 14 -16.848 -15.087 9.414 108 HA GLN 14 HA GLN 14 -16.858 -12.383 8.625 109 1HB GLN 14 2HB GLN 14 -16.927 -13.203 10.992 110 2HB GLN 14 1HB GLN 14 -15.210 -13.583 10.870 111 1HG GLN 14 2HG GLN 14 -14.899 -11.465 11.636 112 2HG GLN 14 1HG GLN 14 -15.252 -10.987 9.976 113 1HE2 GLN 14 1HE2 GLN 14 -18.081 -11.580 9.973 114 2HE2 GLN 14 2HE2 GLN 14 -18.844 -10.487 11.024 115 H SER 15 H SER 15 -15.590 -11.541 7.057 116 HA SER 15 HA SER 15 -12.676 -12.222 7.104 117 1HB SER 15 2HB SER 15 -12.873 -11.544 4.587 118 2HB SER 15 1HB SER 15 -13.415 -13.145 5.078 119 HG SER 15 HG SER 15 -15.468 -12.533 4.867 120 H LEU 16 H LEU 16 -14.957 -9.756 5.893 121 HA LEU 16 HA LEU 16 -13.179 -7.620 5.591 122 1HB LEU 16 2HB LEU 16 -15.349 -7.279 4.770 123 2HB LEU 16 1HB LEU 16 -16.110 -7.796 6.267 124 HG LEU 16 HG LEU 16 -14.394 -5.367 6.425 125 1HD1 LEU 16 1HD1 LEU 16 -16.010 -5.427 4.273 126 2HD1 LEU 16 2HD1 LEU 16 -15.753 -3.957 5.214 127 3HD1 LEU 16 3HD1 LEU 16 -17.191 -4.941 5.489 128 1HD2 LEU 16 1HD2 LEU 16 -15.445 -5.793 8.443 129 2HD2 LEU 16 2HD2 LEU 16 -16.858 -6.516 7.674 130 3HD2 LEU 16 3HD2 LEU 16 -16.665 -4.763 7.694 131 H ASP 17 H ASP 17 -14.717 -8.783 8.572 132 HA ASP 17 HA ASP 17 -13.910 -6.611 10.261 133 1HB ASP 17 2HB ASP 17 -15.468 -8.798 10.623 134 2HB ASP 17 1HB ASP 17 -13.997 -9.342 11.428 135 H ILE 18 H ILE 18 -12.354 -9.683 9.395 136 HA ILE 18 HA ILE 18 -10.050 -9.310 11.094 137 HB ILE 18 HB ILE 18 -10.524 -11.035 8.642 138 1HG1 ILE 18 2HG1 ILE 18 -10.125 -12.145 11.372 139 2HG1 ILE 18 1HG1 ILE 18 -11.629 -11.266 11.101 140 1HG2 ILE 18 1HG2 ILE 18 -8.472 -12.248 9.951 141 2HG2 ILE 18 2HG2 ILE 18 -8.078 -10.556 10.254 142 3HG2 ILE 18 3HG2 ILE 18 -8.238 -11.139 8.599 143 1HD1 ILE 18 1HD1 ILE 18 -12.299 -13.351 10.384 144 2HD1 ILE 18 2HD1 ILE 18 -10.677 -13.813 9.871 145 3HD1 ILE 18 3HD1 ILE 18 -11.645 -12.734 8.867 146 H GLN 19 H GLN 19 -10.849 -8.362 7.780 147 HA GLN 19 HA GLN 19 -8.171 -7.580 7.054 148 1HB GLN 19 2HB GLN 19 -10.921 -7.032 5.971 149 2HB GLN 19 1HB GLN 19 -9.537 -6.138 5.348 150 1HG GLN 19 2HG GLN 19 -9.353 -7.923 3.940 151 2HG GLN 19 1HG GLN 19 -8.527 -8.661 5.308 152 1HE2 GLN 19 1HE2 GLN 19 -9.310 -10.734 5.667 153 2HE2 GLN 19 2HE2 GLN 19 -10.928 -11.213 5.481 154 H VAL 20 H VAL 20 -11.039 -5.668 8.059 155 HA VAL 20 HA VAL 20 -9.853 -3.120 8.131 156 HB VAL 20 HB VAL 20 -11.901 -4.243 10.072 157 1HG1 VAL 20 1HG1 VAL 20 -11.430 -1.366 9.237 158 2HG1 VAL 20 2HG1 VAL 20 -10.791 -2.061 10.727 159 3HG1 VAL 20 3HG1 VAL 20 -12.535 -1.951 10.482 160 1HG2 VAL 20 1HG2 VAL 20 -12.622 -2.505 7.760 161 2HG2 VAL 20 2HG2 VAL 20 -13.520 -3.837 8.486 162 3HG2 VAL 20 3HG2 VAL 20 -12.175 -4.172 7.394 163 H ARG 21 H ARG 21 -10.233 -5.236 11.020 164 HA ARG 21 HA ARG 21 -8.585 -3.783 12.775 165 1HB ARG 21 2HB ARG 21 -8.175 -5.995 13.915 166 2HB ARG 21 1HB ARG 21 -9.874 -5.643 13.608 167 1HG ARG 21 2HG ARG 21 -9.992 -7.642 12.571 168 2HG ARG 21 1HG ARG 21 -9.028 -6.933 11.281 169 1HD ARG 21 2HD ARG 21 -7.183 -8.113 11.862 170 2HD ARG 21 1HD ARG 21 -7.414 -7.793 13.580 171 HE ARG 21 HE ARG 21 -8.195 -10.196 12.212 172 1HH1 ARG 21 1HH2 ARG 21 -9.238 -7.963 14.694 173 2HH1 ARG 21 2HH2 ARG 21 -10.166 -9.164 15.524 174 1HH2 ARG 21 1HH1 ARG 21 -9.405 -11.717 13.321 175 2HH2 ARG 21 2HH1 ARG 21 -10.260 -11.265 14.757 176 H ALA 22 H ALA 22 -7.670 -5.824 10.090 177 HA ALA 22 HA ALA 22 -4.888 -6.129 10.842 178 1HB ALA 22 1HB ALA 22 -5.218 -6.203 7.991 179 2HB ALA 22 2HB ALA 22 -6.600 -7.012 8.728 180 3HB ALA 22 3HB ALA 22 -4.964 -7.555 9.094 181 H LEU 23 H LEU 23 -6.756 -3.814 8.910 182 HA LEU 23 HA LEU 23 -4.411 -2.296 8.079 183 1HB LEU 23 2HB LEU 23 -7.133 -1.033 8.188 184 2HB LEU 23 1HB LEU 23 -5.872 -0.847 6.978 185 HG LEU 23 HG LEU 23 -7.756 -3.193 7.332 186 1HD1 LEU 23 1HD1 LEU 23 -7.433 -0.947 5.403 187 2HD1 LEU 23 2HD1 LEU 23 -8.904 -1.705 6.015 188 3HD1 LEU 23 3HD1 LEU 23 -7.954 -2.506 4.762 189 1HD2 LEU 23 1HD2 LEU 23 -6.554 -4.108 5.284 190 2HD2 LEU 23 2HD2 LEU 23 -5.624 -4.176 6.780 191 3HD2 LEU 23 3HD2 LEU 23 -5.289 -2.917 5.591 192 H LYS 24 H LYS 24 -6.820 -2.078 10.665 193 HA LYS 24 HA LYS 24 -5.945 0.445 11.733 194 1HB LYS 24 2HB LYS 24 -7.813 -1.653 12.484 195 2HB LYS 24 1HB LYS 24 -6.891 -1.137 13.891 196 1HG LYS 24 2HG LYS 24 -8.352 0.578 14.034 197 2HG LYS 24 1HG LYS 24 -7.503 1.268 12.659 198 1HD LYS 24 2HD LYS 24 -9.998 -0.457 12.592 199 2HD LYS 24 1HD LYS 24 -9.869 1.237 12.136 200 1HE LYS 24 2HE LYS 24 -8.479 -1.052 10.727 201 2HE LYS 24 1HE LYS 24 -9.938 -0.253 10.161 202 1HZ LYS 24 1HZ LYS 24 -7.739 0.539 9.218 203 2HZ LYS 24 2HZ LYS 24 -7.460 1.252 10.727 204 3HZ LYS 24 3HZ LYS 24 -8.794 1.725 9.799 205 H ASP 25 H ASP 25 -5.011 -2.914 12.366 206 HA ASP 25 HA ASP 25 -3.188 -2.409 14.497 207 1HB ASP 25 2HB ASP 25 -4.117 -4.650 13.421 208 2HB ASP 25 1HB ASP 25 -2.645 -4.536 12.465 209 H ALA 26 H ALA 26 -2.935 -2.283 11.004 210 HA ALA 26 HA ALA 26 -0.075 -1.902 10.873 211 1HB ALA 26 1HB ALA 26 -2.064 -0.915 8.830 212 2HB ALA 26 2HB ALA 26 -1.740 -2.639 9.021 213 3HB ALA 26 3HB ALA 26 -0.438 -1.542 8.564 214 H GLY 27 H GLY 27 -2.873 0.225 11.206 215 1HA GLY 27 2HA GLY 27 -2.344 2.371 12.461 216 2HA GLY 27 1HA GLY 27 -1.007 2.567 11.324 217 H VAL 28 H VAL 28 -4.336 1.490 10.763 218 HA VAL 28 HA VAL 28 -4.631 3.712 8.786 219 HB VAL 28 HB VAL 28 -5.819 0.916 8.841 220 1HG1 VAL 28 1HG1 VAL 28 -6.158 3.021 6.687 221 2HG1 VAL 28 2HG1 VAL 28 -7.370 2.719 7.932 222 3HG1 VAL 28 3HG1 VAL 28 -6.949 1.449 6.786 223 1HG2 VAL 28 1HG2 VAL 28 -3.584 2.263 7.397 224 2HG2 VAL 28 2HG2 VAL 28 -4.545 1.090 6.497 225 3HG2 VAL 28 3HG2 VAL 28 -3.712 0.600 7.973 226 H LYS 29 H LYS 29 -6.665 4.810 8.747 227 HA LYS 29 HA LYS 29 -8.046 4.859 11.342 228 1HB LYS 29 2HB LYS 29 -7.529 6.747 9.320 229 2HB LYS 29 1HB LYS 29 -9.268 6.486 9.247 230 1HG LYS 29 2HG LYS 29 -9.550 7.750 11.086 231 2HG LYS 29 1HG LYS 29 -8.528 6.654 12.013 232 1HD LYS 29 2HD LYS 29 -6.584 7.910 11.591 233 2HD LYS 29 1HD LYS 29 -7.301 8.725 10.200 234 1HE LYS 29 2HE LYS 29 -8.959 9.774 11.828 235 2HE LYS 29 1HE LYS 29 -7.931 9.166 13.126 236 1HZ LYS 29 1HZ LYS 29 -6.064 10.322 11.814 237 2HZ LYS 29 2HZ LYS 29 -7.109 11.275 12.756 238 3HZ LYS 29 3HZ LYS 29 -7.320 11.189 11.072 239 H ALA 30 H ALA 30 -9.996 3.877 11.751 240 HA ALA 30 HA ALA 30 -11.113 1.944 9.993 241 1HB ALA 30 1HB ALA 30 -12.861 3.340 11.987 242 2HB ALA 30 2HB ALA 30 -11.491 2.394 12.570 243 3HB ALA 30 3HB ALA 30 -12.751 1.622 11.608 244 H ASN 31 H ASN 31 -11.803 5.375 10.399 245 HA ASN 31 HA ASN 31 -14.184 5.439 8.789 246 1HB ASN 31 2HB ASN 31 -12.703 7.263 10.318 247 2HB ASN 31 1HB ASN 31 -12.575 7.876 8.673 248 1HD2 ASN 31 1HD2 ASN 31 -15.200 6.330 10.621 249 2HD2 ASN 31 2HD2 ASN 31 -16.376 7.481 10.213 250 H ARG 32 H ARG 32 -10.767 5.324 8.066 251 HA ARG 32 HA ARG 32 -11.339 5.850 5.184 252 1HB ARG 32 2HB ARG 32 -8.891 6.117 6.911 253 2HB ARG 32 1HB ARG 32 -8.702 5.867 5.176 254 1HG ARG 32 2HG ARG 32 -9.193 8.024 4.766 255 2HG ARG 32 1HG ARG 32 -10.727 7.873 5.618 256 1HD ARG 32 2HD ARG 32 -9.030 7.962 7.730 257 2HD ARG 32 1HD ARG 32 -8.129 8.943 6.574 258 HE ARG 32 HE ARG 32 -10.898 9.746 6.648 259 1HH1 ARG 32 1HH2 ARG 32 -7.885 9.963 8.411 260 2HH1 ARG 32 2HH2 ARG 32 -8.314 11.461 9.158 261 1HH2 ARG 32 1HH1 ARG 32 -11.412 11.685 7.637 262 2HH2 ARG 32 2HH1 ARG 32 -10.289 12.429 8.727 263 H ILE 33 H ILE 33 -12.287 3.469 5.748 264 HA ILE 33 HA ILE 33 -10.122 1.498 5.135 265 HB ILE 33 HB ILE 33 -12.831 1.075 6.438 266 1HG1 ILE 33 2HG1 ILE 33 -11.095 2.182 7.854 267 2HG1 ILE 33 1HG1 ILE 33 -11.550 0.591 8.455 268 1HG2 ILE 33 1HG2 ILE 33 -11.386 -1.219 6.865 269 2HG2 ILE 33 2HG2 ILE 33 -10.881 -0.787 5.232 270 3HG2 ILE 33 3HG2 ILE 33 -12.592 -1.024 5.592 271 1HD1 ILE 33 1HD1 ILE 33 -9.429 -0.145 8.261 272 2HD1 ILE 33 2HD1 ILE 33 -8.948 1.499 7.850 273 3HD1 ILE 33 3HD1 ILE 33 -9.357 0.356 6.574 274 H PHE 34 H PHE 34 -10.130 0.916 3.035 275 HA PHE 34 HA PHE 34 -12.734 0.919 1.568 276 1HB PHE 34 2HB PHE 34 -9.919 1.557 0.746 277 2HB PHE 34 1HB PHE 34 -11.036 0.912 -0.459 278 HD1 PHE 34 1HD PHE 34 -13.274 2.078 -0.804 279 HD2 PHE 34 2HD PHE 34 -10.057 3.817 1.448 280 HE1 PHE 34 1HE PHE 34 -14.325 4.312 -1.027 281 HE2 PHE 34 2HE PHE 34 -11.110 6.052 1.226 282 HZ PHE 34 HZ PHE 34 -13.244 6.298 -0.011 283 H THR 35 H THR 35 -12.916 -1.257 2.696 284 HA THR 35 HA THR 35 -11.158 -3.404 1.800 285 HB THR 35 HB THR 35 -12.211 -3.574 3.986 286 HG1 THR 35 1HG THR 35 -12.347 -5.618 3.626 287 1HG2 THR 35 1HG2 THR 35 -14.467 -2.518 2.619 288 2HG2 THR 35 2HG2 THR 35 -14.320 -2.887 4.338 289 3HG2 THR 35 3HG2 THR 35 -14.931 -4.109 3.222 290 H ASP 36 H ASP 36 -12.124 -5.356 0.690 291 HA ASP 36 HA ASP 36 -14.140 -4.537 -1.364 292 1HB ASP 36 2HB ASP 36 -11.685 -6.284 -1.732 293 2HB ASP 36 1HB ASP 36 -12.906 -5.976 -2.968 294 H LYS 37 H LYS 37 -15.956 -5.687 -0.892 295 HA LYS 37 HA LYS 37 -15.889 -8.198 0.554 296 1HB LYS 37 2HB LYS 37 -17.801 -6.303 0.171 297 2HB LYS 37 1HB LYS 37 -18.322 -7.512 -1.002 298 1HG LYS 37 2HG LYS 37 -19.403 -8.038 1.084 299 2HG LYS 37 1HG LYS 37 -18.137 -9.240 0.836 300 1HD LYS 37 2HD LYS 37 -16.986 -8.565 2.667 301 2HD LYS 37 1HD LYS 37 -17.172 -6.859 2.259 302 1HE LYS 37 2HE LYS 37 -19.405 -8.535 3.433 303 2HE LYS 37 1HE LYS 37 -18.305 -7.566 4.413 304 1HZ LYS 37 1HZ LYS 37 -19.693 -6.324 2.140 305 2HZ LYS 37 2HZ LYS 37 -19.123 -5.611 3.574 306 3HZ LYS 37 3HZ LYS 37 -20.533 -6.559 3.594 307 H ALA 38 H ALA 38 -14.255 -9.009 -1.178 308 HA ALA 38 HA ALA 38 -14.978 -9.731 -3.802 309 1HB ALA 38 1HB ALA 38 -13.342 -11.724 -3.314 310 2HB ALA 38 2HB ALA 38 -13.086 -10.896 -1.780 311 3HB ALA 38 3HB ALA 38 -12.722 -10.073 -3.295 312 H SER 39 H SER 39 -16.012 -11.127 -0.774 313 HA SER 39 HA SER 39 -16.866 -13.677 -1.846 314 1HB SER 39 2HB SER 39 -16.475 -12.859 0.655 315 2HB SER 39 1HB SER 39 -18.187 -12.463 0.552 316 HG SER 39 HG SER 39 -16.888 -14.941 0.408 317 H GLY 40 H GLY 40 -17.860 -12.411 -3.789 318 1HA GLY 40 2HA GLY 40 -20.775 -12.201 -3.274 319 2HA GLY 40 1HA GLY 40 -19.982 -10.842 -4.072 320 H SER 41 H SER 41 -21.305 -11.257 -5.970 321 HA SER 41 HA SER 41 -21.323 -13.752 -7.373 322 1HB SER 41 2HB SER 41 -21.908 -12.237 -9.371 323 2HB SER 41 1HB SER 41 -22.994 -12.176 -7.985 324 HG SER 41 HG SER 41 -22.569 -10.096 -8.268 325 H SER 42 H SER 42 -19.073 -11.053 -7.336 326 HA SER 42 HA SER 42 -17.070 -12.692 -8.724 327 1HB SER 42 2HB SER 42 -18.271 -10.212 -9.958 328 2HB SER 42 1HB SER 42 -16.649 -10.755 -10.375 329 HG SER 42 HG SER 42 -18.823 -11.573 -11.458 330 H SER 43 H SER 43 -15.086 -10.951 -9.148 331 HA SER 43 HA SER 43 -14.183 -10.221 -6.539 332 1HB SER 43 2HB SER 43 -12.528 -8.772 -8.017 333 2HB SER 43 1HB SER 43 -12.420 -10.531 -8.017 334 HG SER 43 HG SER 43 -13.264 -10.595 -9.979 335 H ASP 44 H ASP 44 -14.552 -8.406 -5.352 336 HA ASP 44 HA ASP 44 -16.086 -6.201 -6.640 337 1HB ASP 44 2HB ASP 44 -15.763 -7.142 -3.792 338 2HB ASP 44 1HB ASP 44 -16.367 -5.522 -4.144 339 H ARG 45 H ARG 45 -13.800 -5.716 -7.601 340 HA ARG 45 HA ARG 45 -11.827 -4.533 -5.832 341 1HB ARG 45 2HB ARG 45 -12.200 -4.829 -8.773 342 2HB ARG 45 1HB ARG 45 -11.170 -3.502 -8.236 343 1HG ARG 45 2HG ARG 45 -9.645 -4.944 -7.177 344 2HG ARG 45 1HG ARG 45 -10.808 -6.268 -7.104 345 1HD ARG 45 2HD ARG 45 -9.713 -5.164 -9.701 346 2HD ARG 45 1HD ARG 45 -9.008 -6.546 -8.863 347 HE ARG 45 HE ARG 45 -11.826 -6.963 -9.231 348 1HH1 ARG 45 1HH2 ARG 45 -8.797 -6.920 -10.979 349 2HH1 ARG 45 2HH2 ARG 45 -9.356 -8.037 -12.174 350 1HH2 ARG 45 1HH1 ARG 45 -12.508 -8.405 -10.799 351 2HH2 ARG 45 2HH1 ARG 45 -11.434 -8.870 -12.075 352 H LYS 46 H LYS 46 -13.751 -3.241 -4.806 353 HA LYS 46 HA LYS 46 -14.144 -0.667 -6.269 354 1HB LYS 46 2HB LYS 46 -15.696 -1.993 -4.035 355 2HB LYS 46 1HB LYS 46 -15.970 -0.323 -4.528 356 1HG LYS 46 2HG LYS 46 -16.110 -1.416 -6.944 357 2HG LYS 46 1HG LYS 46 -16.538 -2.855 -6.017 358 1HD LYS 46 2HD LYS 46 -18.523 -1.959 -5.273 359 2HD LYS 46 1HD LYS 46 -17.899 -0.308 -5.276 360 1HE LYS 46 2HE LYS 46 -17.884 -0.442 -7.815 361 2HE LYS 46 1HE LYS 46 -18.790 -1.947 -7.659 362 1HZ LYS 46 1HZ LYS 46 -20.518 -0.785 -6.490 363 2HZ LYS 46 2HZ LYS 46 -20.223 0.004 -7.964 364 3HZ LYS 46 3HZ LYS 46 -19.630 0.659 -6.513 365 H GLY 47 H GLY 47 -12.774 -2.129 -3.402 366 1HA GLY 47 2HA GLY 47 -12.520 0.175 -1.754 367 2HA GLY 47 1HA GLY 47 -11.452 -1.226 -1.694 368 H LEU 48 H LEU 48 -10.352 -1.127 -4.272 369 HA LEU 48 HA LEU 48 -8.526 1.142 -3.936 370 1HB LEU 48 2HB LEU 48 -6.993 -0.152 -5.001 371 2HB LEU 48 1HB LEU 48 -8.136 -1.453 -4.718 372 HG LEU 48 HG LEU 48 -8.078 0.223 -7.252 373 1HD1 LEU 48 1HD1 LEU 48 -7.042 -1.811 -8.264 374 2HD1 LEU 48 2HD1 LEU 48 -6.893 -2.501 -6.648 375 3HD1 LEU 48 3HD1 LEU 48 -6.003 -1.039 -7.067 376 1HD2 LEU 48 1HD2 LEU 48 -10.093 -1.361 -6.224 377 2HD2 LEU 48 2HD2 LEU 48 -9.222 -2.499 -7.248 378 3HD2 LEU 48 3HD2 LEU 48 -9.867 -1.010 -7.936 379 H ASP 49 H ASP 49 -11.208 0.258 -5.990 380 HA ASP 49 HA ASP 49 -10.706 2.093 -8.141 381 1HB ASP 49 2HB ASP 49 -12.572 0.172 -7.714 382 2HB ASP 49 1HB ASP 49 -13.525 1.606 -7.328 383 H LEU 50 H LEU 50 -12.249 2.393 -4.986 384 HA LEU 50 HA LEU 50 -13.003 5.200 -5.465 385 1HB LEU 50 2HB LEU 50 -13.095 3.595 -2.890 386 2HB LEU 50 1HB LEU 50 -13.914 5.123 -3.209 387 HG LEU 50 HG LEU 50 -14.432 2.783 -5.018 388 1HD1 LEU 50 1HD1 LEU 50 -16.106 3.235 -2.563 389 2HD1 LEU 50 2HD1 LEU 50 -14.668 2.219 -2.466 390 3HD1 LEU 50 3HD1 LEU 50 -15.976 1.793 -3.570 391 1HD2 LEU 50 1HD2 LEU 50 -16.462 3.925 -5.455 392 2HD2 LEU 50 2HD2 LEU 50 -15.262 5.212 -5.334 393 3HD2 LEU 50 3HD2 LEU 50 -16.341 4.880 -3.978 394 H LEU 51 H LEU 51 -10.440 3.343 -3.956 395 HA LEU 51 HA LEU 51 -9.283 5.347 -2.297 396 1HB LEU 51 2HB LEU 51 -8.705 2.768 -2.732 397 2HB LEU 51 1HB LEU 51 -7.507 3.477 -3.814 398 HG LEU 51 HG LEU 51 -6.791 4.950 -1.879 399 1HD1 LEU 51 1HD1 LEU 51 -7.700 4.719 0.208 400 2HD1 LEU 51 2HD1 LEU 51 -7.985 2.990 0.005 401 3HD1 LEU 51 3HD1 LEU 51 -9.099 4.158 -0.708 402 1HD2 LEU 51 1HD2 LEU 51 -5.658 2.982 -0.672 403 2HD2 LEU 51 2HD2 LEU 51 -5.377 3.110 -2.409 404 3HD2 LEU 51 3HD2 LEU 51 -6.541 1.939 -1.788 405 H ARG 52 H ARG 52 -9.048 4.744 -5.765 406 HA ARG 52 HA ARG 52 -6.872 6.552 -6.271 407 1HB ARG 52 2HB ARG 52 -9.080 5.460 -8.027 408 2HB ARG 52 1HB ARG 52 -7.807 6.513 -8.643 409 1HG ARG 52 2HG ARG 52 -6.254 4.858 -8.601 410 2HG ARG 52 1HG ARG 52 -6.778 4.287 -7.017 411 1HD ARG 52 2HD ARG 52 -7.737 2.527 -8.036 412 2HD ARG 52 1HD ARG 52 -8.880 3.637 -8.791 413 HE ARG 52 HE ARG 52 -6.615 3.790 -10.394 414 1HH1 ARG 52 1HH2 ARG 52 -8.712 1.221 -9.280 415 2HH1 ARG 52 2HH2 ARG 52 -8.439 0.254 -10.687 416 1HH2 ARG 52 1HH1 ARG 52 -6.291 2.504 -12.196 417 2HH2 ARG 52 2HH1 ARG 52 -7.084 0.969 -12.320 418 H MET 53 H MET 53 -10.362 6.964 -6.018 419 HA MET 53 HA MET 53 -10.048 9.848 -6.661 420 1HB MET 53 2HB MET 53 -12.417 9.924 -6.999 421 2HB MET 53 1HB MET 53 -11.852 8.454 -7.784 422 1HG MET 53 2HG MET 53 -12.450 7.237 -5.606 423 2HG MET 53 1HG MET 53 -13.301 8.710 -5.140 424 1HE MET 53 1HE MET 53 -13.924 6.192 -8.856 425 2HE MET 53 2HE MET 53 -13.796 5.314 -7.334 426 3HE MET 53 3HE MET 53 -12.497 6.393 -7.831 427 H LYS 54 H LYS 54 -9.478 8.202 -4.003 428 HA LYS 54 HA LYS 54 -10.906 10.134 -2.228 429 1HB LYS 54 2HB LYS 54 -11.462 7.584 -2.086 430 2HB LYS 54 1HB LYS 54 -9.907 7.469 -1.260 431 1HG LYS 54 2HG LYS 54 -11.161 7.938 0.592 432 2HG LYS 54 1HG LYS 54 -10.976 9.602 0.039 433 1HD LYS 54 2HD LYS 54 -13.201 8.123 -1.233 434 2HD LYS 54 1HD LYS 54 -13.391 8.398 0.499 435 1HE LYS 54 2HE LYS 54 -12.709 10.570 -1.503 436 2HE LYS 54 1HE LYS 54 -14.334 10.249 -0.902 437 1HZ LYS 54 1HZ LYS 54 -11.990 11.268 0.561 438 2HZ LYS 54 2HZ LYS 54 -13.239 10.473 1.395 439 3HZ LYS 54 3HZ LYS 54 -13.568 11.886 0.511 440 H VAL 55 H VAL 55 -7.890 8.383 -2.855 441 HA VAL 55 HA VAL 55 -6.377 9.309 -0.643 442 HB VAL 55 HB VAL 55 -4.390 8.901 -2.095 443 1HG1 VAL 55 1HG1 VAL 55 -5.314 6.485 -2.816 444 2HG1 VAL 55 2HG1 VAL 55 -6.635 6.974 -1.755 445 3HG1 VAL 55 3HG1 VAL 55 -4.986 6.902 -1.134 446 1HG2 VAL 55 1HG2 VAL 55 -6.523 9.003 -4.172 447 2HG2 VAL 55 2HG2 VAL 55 -5.274 7.777 -4.387 448 3HG2 VAL 55 3HG2 VAL 55 -4.830 9.480 -4.277 449 H GLU 56 H GLU 56 -4.970 11.104 -0.405 450 HA GLU 56 HA GLU 56 -5.523 13.375 -2.276 451 1HB GLU 56 2HB GLU 56 -6.194 13.332 0.343 452 2HB GLU 56 1HB GLU 56 -4.542 13.938 0.475 453 1HG GLU 56 2HG GLU 56 -5.981 15.855 0.240 454 2HG GLU 56 1HG GLU 56 -5.133 15.652 -1.293 455 H GLU 57 H GLU 57 -3.705 14.848 -2.622 456 HA GLU 57 HA GLU 57 -1.233 13.529 -3.131 457 1HB GLU 57 2HB GLU 57 -0.329 15.825 -3.498 458 2HB GLU 57 1HB GLU 57 -1.861 15.561 -4.333 459 1HG GLU 57 2HG GLU 57 -2.779 16.487 -1.952 460 2HG GLU 57 1HG GLU 57 -1.238 17.341 -2.040 461 H GLY 58 H GLY 58 0.005 12.687 -1.535 462 1HA GLY 58 2HA GLY 58 1.711 13.107 0.158 463 2HA GLY 58 1HA GLY 58 0.746 14.464 0.740 464 H ASP 59 H ASP 59 -0.889 11.484 -0.041 465 HA ASP 59 HA ASP 59 -1.432 11.102 2.864 466 1HB ASP 59 2HB ASP 59 -2.935 10.517 0.346 467 2HB ASP 59 1HB ASP 59 -3.202 9.457 1.729 468 H VAL 60 H VAL 60 -1.642 8.767 3.569 469 HA VAL 60 HA VAL 60 0.476 7.126 2.235 470 HB VAL 60 HB VAL 60 0.427 5.899 4.547 471 1HG1 VAL 60 1HG1 VAL 60 2.196 7.482 3.484 472 2HG1 VAL 60 2HG1 VAL 60 2.278 7.164 5.217 473 3HG1 VAL 60 3HG1 VAL 60 1.581 8.674 4.631 474 1HG2 VAL 60 1HG2 VAL 60 -0.255 7.201 6.434 475 2HG2 VAL 60 2HG2 VAL 60 -1.605 7.252 5.299 476 3HG2 VAL 60 3HG2 VAL 60 -0.517 8.633 5.439 477 H ILE 61 H ILE 61 -0.049 5.087 1.555 478 HA ILE 61 HA ILE 61 -2.861 4.193 2.049 479 HB ILE 61 HB ILE 61 -1.058 3.694 -0.343 480 1HG1 ILE 61 2HG1 ILE 61 -3.680 5.145 -0.424 481 2HG1 ILE 61 1HG1 ILE 61 -2.254 6.007 0.152 482 1HG2 ILE 61 1HG2 ILE 61 -3.812 2.709 0.396 483 2HG2 ILE 61 2HG2 ILE 61 -2.437 1.783 -0.206 484 3HG2 ILE 61 3HG2 ILE 61 -3.322 2.855 -1.291 485 1HD1 ILE 61 1HD1 ILE 61 -1.273 6.031 -1.910 486 2HD1 ILE 61 2HD1 ILE 61 -2.933 5.836 -2.471 487 3HD1 ILE 61 3HD1 ILE 61 -1.880 4.429 -2.328 488 H LEU 62 H LEU 62 -2.460 2.863 3.834 489 HA LEU 62 HA LEU 62 -0.258 0.943 3.844 490 1HB LEU 62 2HB LEU 62 -1.872 2.096 5.794 491 2HB LEU 62 1HB LEU 62 -2.449 0.431 5.735 492 HG LEU 62 HG LEU 62 0.491 1.115 5.895 493 1HD1 LEU 62 1HD1 LEU 62 -1.582 0.862 8.061 494 2HD1 LEU 62 2HD1 LEU 62 -0.276 2.037 7.908 495 3HD1 LEU 62 3HD1 LEU 62 0.085 0.374 8.371 496 1HD2 LEU 62 1HD2 LEU 62 0.580 -1.223 6.789 497 2HD2 LEU 62 2HD2 LEU 62 -0.028 -1.144 5.136 498 3HD2 LEU 62 3HD2 LEU 62 -1.150 -1.370 6.478 499 H VAL 63 H VAL 63 -0.341 -1.052 2.909 500 HA VAL 63 HA VAL 63 -3.040 -2.159 2.239 501 HB VAL 63 HB VAL 63 -0.442 -2.631 0.747 502 1HG1 VAL 63 1HG1 VAL 63 -2.188 -4.427 0.622 503 2HG1 VAL 63 2HG1 VAL 63 -1.873 -3.656 -0.934 504 3HG1 VAL 63 3HG1 VAL 63 -3.317 -3.231 -0.014 505 1HG2 VAL 63 1HG2 VAL 63 -1.342 -1.123 -0.954 506 2HG2 VAL 63 2HG2 VAL 63 -1.258 -0.273 0.589 507 3HG2 VAL 63 3HG2 VAL 63 -2.806 -0.878 -0.001 508 H LYS 64 H LYS 64 -3.405 -3.689 3.788 509 HA LYS 64 HA LYS 64 -1.167 -5.512 4.541 510 1HB LYS 64 2HB LYS 64 -2.913 -4.212 6.167 511 2HB LYS 64 1HB LYS 64 -3.793 -5.720 5.919 512 1HG LYS 64 2HG LYS 64 -1.298 -6.697 6.365 513 2HG LYS 64 1HG LYS 64 -1.239 -5.235 7.350 514 1HD LYS 64 2HD LYS 64 -3.112 -5.913 8.654 515 2HD LYS 64 1HD LYS 64 -3.546 -7.180 7.506 516 1HE LYS 64 2HE LYS 64 -0.890 -7.198 8.938 517 2HE LYS 64 1HE LYS 64 -2.332 -7.915 9.660 518 1HZ LYS 64 1HZ LYS 64 -2.559 -9.142 7.464 519 2HZ LYS 64 2HZ LYS 64 -1.317 -9.649 8.508 520 3HZ LYS 64 3HZ LYS 64 -0.955 -8.681 7.158 521 H LYS 65 H LYS 65 -1.643 -6.298 2.201 522 HA LYS 65 HA LYS 65 -3.987 -7.738 1.522 523 1HB LYS 65 2HB LYS 65 -2.485 -8.962 -0.085 524 2HB LYS 65 1HB LYS 65 -2.339 -7.206 -0.169 525 1HG LYS 65 2HG LYS 65 -0.230 -7.195 0.762 526 2HG LYS 65 1HG LYS 65 -0.537 -8.637 1.729 527 1HD LYS 65 2HD LYS 65 -0.383 -10.046 -0.268 528 2HD LYS 65 1HD LYS 65 -0.153 -8.618 -1.278 529 1HE LYS 65 2HE LYS 65 2.008 -8.273 -0.548 530 2HE LYS 65 1HE LYS 65 1.698 -8.987 1.034 531 1HZ LYS 65 1HZ LYS 65 1.488 -11.164 -0.151 532 2HZ LYS 65 2HZ LYS 65 3.051 -10.496 -0.147 533 3HZ LYS 65 3HZ LYS 65 2.085 -10.399 -1.542 534 H LEU 66 H LEU 66 -4.556 -9.921 1.725 535 HA LEU 66 HA LEU 66 -3.472 -11.303 4.067 536 1HB LEU 66 2HB LEU 66 -5.706 -11.796 2.117 537 2HB LEU 66 1HB LEU 66 -5.153 -13.113 3.151 538 HG LEU 66 HG LEU 66 -5.514 -10.603 4.630 539 1HD1 LEU 66 1HD1 LEU 66 -7.823 -10.296 4.406 540 2HD1 LEU 66 2HD1 LEU 66 -8.066 -11.892 3.698 541 3HD1 LEU 66 3HD1 LEU 66 -7.329 -10.606 2.742 542 1HD2 LEU 66 1HD2 LEU 66 -5.262 -13.068 5.428 543 2HD2 LEU 66 2HD2 LEU 66 -6.976 -13.212 5.034 544 3HD2 LEU 66 3HD2 LEU 66 -6.445 -12.048 6.248 545 H ASP 67 H ASP 67 -3.305 -11.590 0.563 546 HA ASP 67 HA ASP 67 -1.086 -13.537 0.877 547 1HB ASP 67 2HB ASP 67 -3.692 -14.018 -0.506 548 2HB ASP 67 1HB ASP 67 -2.230 -14.657 -1.260 549 H ARG 68 H ARG 68 -2.999 -11.559 -1.405 550 HA ARG 68 HA ARG 68 -0.695 -10.177 -2.406 551 1HB ARG 68 2HB ARG 68 -1.339 -12.745 -3.652 552 2HB ARG 68 1HB ARG 68 -1.364 -11.421 -4.817 553 1HG ARG 68 2HG ARG 68 0.882 -11.031 -4.629 554 2HG ARG 68 1HG ARG 68 0.910 -11.421 -2.909 555 1HD ARG 68 2HD ARG 68 1.018 -13.742 -3.312 556 2HD ARG 68 1HD ARG 68 0.457 -13.569 -4.975 557 HE ARG 68 HE ARG 68 2.868 -12.150 -4.852 558 1HH1 ARG 68 1HH2 ARG 68 1.814 -15.437 -4.293 559 2HH1 ARG 68 2HH2 ARG 68 3.341 -16.111 -4.746 560 1HH2 ARG 68 1HH1 ARG 68 4.826 -13.063 -5.430 561 2HH2 ARG 68 2HH1 ARG 68 5.029 -14.781 -5.384 562 H LEU 69 H LEU 69 -1.365 -8.374 -3.548 563 HA LEU 69 HA LEU 69 -4.299 -8.149 -4.041 564 1HB LEU 69 2HB LEU 69 -3.799 -5.665 -4.127 565 2HB LEU 69 1HB LEU 69 -3.531 -6.421 -2.560 566 HG LEU 69 HG LEU 69 -1.206 -6.398 -4.411 567 1HD1 LEU 69 1HD1 LEU 69 -2.468 -3.919 -3.249 568 2HD1 LEU 69 2HD1 LEU 69 -1.814 -4.169 -4.868 569 3HD1 LEU 69 3HD1 LEU 69 -0.722 -4.010 -3.492 570 1HD2 LEU 69 1HD2 LEU 69 0.011 -6.280 -2.403 571 2HD2 LEU 69 2HD2 LEU 69 -1.411 -7.212 -1.933 572 3HD2 LEU 69 3HD2 LEU 69 -1.311 -5.496 -1.540 573 H GLY 70 H GLY 70 -2.483 -9.519 -5.864 574 1HA GLY 70 2HA GLY 70 -3.351 -8.811 -8.361 575 2HA GLY 70 1HA GLY 70 -1.994 -7.708 -8.116 576 H ARG 71 H ARG 71 -2.461 -10.227 -9.861 577 HA ARG 71 HA ARG 71 0.238 -11.337 -9.398 578 1HB ARG 71 2HB ARG 71 -1.623 -12.687 -8.132 579 2HB ARG 71 1HB ARG 71 -2.019 -13.292 -9.741 580 1HG ARG 71 2HG ARG 71 0.629 -13.641 -9.852 581 2HG ARG 71 1HG ARG 71 0.433 -13.740 -8.101 582 1HD ARG 71 2HD ARG 71 -0.764 -15.696 -8.205 583 2HD ARG 71 1HD ARG 71 -1.513 -15.276 -9.746 584 HE ARG 71 HE ARG 71 0.231 -16.425 -10.817 585 1HH1 ARG 71 1HH2 ARG 71 1.240 -15.498 -7.600 586 2HH1 ARG 71 2HH2 ARG 71 2.755 -16.319 -7.730 587 1HH2 ARG 71 1HH1 ARG 71 2.201 -17.476 -10.941 588 2HH2 ARG 71 2HH1 ARG 71 3.296 -17.427 -9.600 589 H ASP 72 H ASP 72 -2.679 -12.213 -11.290 590 HA ASP 72 HA ASP 72 -1.216 -12.872 -13.656 591 1HB ASP 72 2HB ASP 72 -3.578 -13.576 -13.151 592 2HB ASP 72 1HB ASP 72 -4.090 -11.925 -13.500 593 H THR 73 H THR 73 -3.405 -10.065 -13.241 594 HA THR 73 HA THR 73 -1.858 -8.618 -15.310 595 HB THR 73 HB THR 73 -4.355 -7.735 -13.834 596 HG1 THR 73 1HG THR 73 -5.052 -9.440 -14.920 597 1HG2 THR 73 1HG2 THR 73 -4.614 -6.250 -15.792 598 2HG2 THR 73 2HG2 THR 73 -3.091 -6.854 -16.445 599 3HG2 THR 73 3HG2 THR 73 -3.103 -5.933 -14.942 600 H ALA 74 H ALA 74 -1.049 -6.455 -14.900 601 HA ALA 74 HA ALA 74 0.248 -6.188 -12.322 602 1HB ALA 74 1HB ALA 74 0.041 -3.851 -14.168 603 2HB ALA 74 2HB ALA 74 0.880 -5.282 -14.767 604 3HB ALA 74 3HB ALA 74 1.444 -4.476 -13.303 605 H ASP 75 H ASP 75 -1.990 -6.320 -11.215 606 HA ASP 75 HA ASP 75 -3.628 -3.897 -11.279 607 1HB ASP 75 2HB ASP 75 -3.669 -6.143 -9.241 608 2HB ASP 75 1HB ASP 75 -4.953 -4.980 -9.565 609 H MET 76 H MET 76 -1.401 -5.420 -8.951 610 HA MET 76 HA MET 76 -1.546 -3.367 -6.970 611 1HB MET 76 2HB MET 76 -0.577 -5.618 -6.561 612 2HB MET 76 1HB MET 76 0.769 -5.217 -7.627 613 1HG MET 76 2HG MET 76 1.635 -3.617 -6.140 614 2HG MET 76 1HG MET 76 0.104 -3.447 -5.282 615 1HE MET 76 1HE MET 76 3.481 -6.375 -4.760 616 2HE MET 76 2HE MET 76 3.253 -5.076 -5.929 617 3HE MET 76 3HE MET 76 2.522 -6.652 -6.221 618 H ILE 77 H ILE 77 0.572 -3.817 -9.784 619 HA ILE 77 HA ILE 77 2.160 -1.451 -9.214 620 HB ILE 77 HB ILE 77 1.881 -3.124 -11.731 621 1HG1 ILE 77 2HG1 ILE 77 4.389 -3.534 -10.638 622 2HG1 ILE 77 1HG1 ILE 77 3.381 -3.379 -9.201 623 1HG2 ILE 77 1HG2 ILE 77 3.526 -0.721 -11.054 624 2HG2 ILE 77 2HG2 ILE 77 2.864 -1.226 -12.608 625 3HG2 ILE 77 3HG2 ILE 77 4.309 -2.010 -11.968 626 1HD1 ILE 77 1HD1 ILE 77 2.923 -5.578 -9.545 627 2HD1 ILE 77 2HD1 ILE 77 3.453 -5.521 -11.226 628 3HD1 ILE 77 3HD1 ILE 77 1.826 -4.992 -10.796 629 H GLN 78 H GLN 78 -0.959 -1.908 -10.603 630 HA GLN 78 HA GLN 78 -0.878 0.384 -12.392 631 1HB GLN 78 2HB GLN 78 -2.611 -1.727 -12.056 632 2HB GLN 78 1HB GLN 78 -3.518 -0.403 -11.328 633 1HG GLN 78 2HG GLN 78 -2.176 0.172 -13.922 634 2HG GLN 78 1HG GLN 78 -3.570 -0.907 -13.975 635 1HE2 GLN 78 1HE2 GLN 78 -2.601 2.289 -12.609 636 2HE2 GLN 78 2HE2 GLN 78 -4.142 2.984 -12.760 637 H LEU 79 H LEU 79 -2.907 -0.056 -9.474 638 HA LEU 79 HA LEU 79 -3.356 2.706 -9.064 639 1HB LEU 79 2HB LEU 79 -4.274 2.127 -6.944 640 2HB LEU 79 1HB LEU 79 -4.593 0.750 -7.985 641 HG LEU 79 HG LEU 79 -2.217 0.895 -6.106 642 1HD1 LEU 79 1HD1 LEU 79 -4.721 0.889 -5.180 643 2HD1 LEU 79 2HD1 LEU 79 -3.452 -0.075 -4.424 644 3HD1 LEU 79 3HD1 LEU 79 -4.583 -0.830 -5.548 645 1HD2 LEU 79 1HD2 LEU 79 -2.330 -1.610 -6.437 646 2HD2 LEU 79 2HD2 LEU 79 -1.897 -0.708 -7.888 647 3HD2 LEU 79 3HD2 LEU 79 -3.536 -1.327 -7.691 648 H ILE 80 H ILE 80 -0.584 0.749 -8.239 649 HA ILE 80 HA ILE 80 0.565 2.553 -6.298 650 HB ILE 80 HB ILE 80 1.656 0.308 -8.012 651 1HG1 ILE 80 2HG1 ILE 80 1.462 0.687 -5.011 652 2HG1 ILE 80 1HG1 ILE 80 0.256 -0.150 -5.987 653 1HG2 ILE 80 1HG2 ILE 80 3.798 0.532 -6.710 654 2HG2 ILE 80 2HG2 ILE 80 3.227 2.096 -6.127 655 3HG2 ILE 80 3HG2 ILE 80 3.528 1.853 -7.848 656 1HD1 ILE 80 1HD1 ILE 80 3.122 -0.948 -5.466 657 2HD1 ILE 80 2HD1 ILE 80 2.207 -1.616 -6.818 658 3HD1 ILE 80 3HD1 ILE 80 1.654 -1.879 -5.164 659 H LYS 81 H LYS 81 0.913 2.165 -9.831 660 HA LYS 81 HA LYS 81 2.823 4.328 -10.104 661 1HB LYS 81 2HB LYS 81 1.564 2.394 -11.818 662 2HB LYS 81 1HB LYS 81 1.327 3.990 -12.526 663 1HG LYS 81 2HG LYS 81 3.420 3.727 -13.359 664 2HG LYS 81 1HG LYS 81 3.964 4.106 -11.726 665 1HD LYS 81 2HD LYS 81 5.057 2.080 -12.153 666 2HD LYS 81 1HD LYS 81 3.612 1.547 -11.293 667 1HE LYS 81 2HE LYS 81 4.038 0.201 -13.346 668 2HE LYS 81 1HE LYS 81 2.492 1.050 -13.408 669 1HZ LYS 81 1HZ LYS 81 3.262 2.534 -14.951 670 2HZ LYS 81 2HZ LYS 81 4.131 1.147 -15.410 671 3HZ LYS 81 3HZ LYS 81 4.886 2.362 -14.493 672 H GLU 82 H GLU 82 -0.681 4.069 -10.099 673 HA GLU 82 HA GLU 82 -1.204 6.726 -11.111 674 1HB GLU 82 2HB GLU 82 -2.771 4.588 -10.789 675 2HB GLU 82 1HB GLU 82 -3.120 5.380 -9.253 676 1HG GLU 82 2HG GLU 82 -4.734 6.177 -10.860 677 2HG GLU 82 1HG GLU 82 -3.600 7.491 -10.548 678 H PHE 83 H PHE 83 -0.546 5.373 -7.931 679 HA PHE 83 HA PHE 83 -1.242 7.901 -6.579 680 1HB PHE 83 2HB PHE 83 0.032 5.398 -5.435 681 2HB PHE 83 1HB PHE 83 -0.678 6.722 -4.521 682 HD1 PHE 83 1HD PHE 83 -1.490 3.858 -4.194 683 HD2 PHE 83 2HD PHE 83 -3.022 6.906 -6.808 684 HE1 PHE 83 1HE PHE 83 -3.685 2.714 -4.245 685 HE2 PHE 83 2HE PHE 83 -5.210 5.752 -6.863 686 HZ PHE 83 HZ PHE 83 -5.549 3.661 -5.575 687 H ASP 84 H ASP 84 1.592 6.145 -7.682 688 HA ASP 84 HA ASP 84 3.587 7.558 -6.206 689 1HB ASP 84 2HB ASP 84 3.690 5.466 -7.856 690 2HB ASP 84 1HB ASP 84 4.122 6.714 -9.021 691 H ALA 85 H ALA 85 1.819 8.324 -9.147 692 HA ALA 85 HA ALA 85 3.467 10.707 -9.682 693 1HB ALA 85 1HB ALA 85 1.730 11.050 -11.520 694 2HB ALA 85 2HB ALA 85 1.037 9.505 -11.022 695 3HB ALA 85 3HB ALA 85 2.689 9.576 -11.636 696 H GLN 86 H GLN 86 0.561 9.928 -7.931 697 HA GLN 86 HA GLN 86 -0.502 12.647 -8.038 698 1HB GLN 86 2HB GLN 86 -1.362 10.025 -7.051 699 2HB GLN 86 1HB GLN 86 -1.790 11.337 -5.961 700 1HG GLN 86 2HG GLN 86 -2.484 12.470 -8.314 701 2HG GLN 86 1HG GLN 86 -2.753 10.773 -8.711 702 1HE2 GLN 86 1HE2 GLN 86 -4.789 12.958 -8.222 703 2HE2 GLN 86 2HE2 GLN 86 -5.773 12.371 -6.970 704 H GLY 87 H GLY 87 2.165 11.472 -6.506 705 1HA GLY 87 2HA GLY 87 3.458 12.412 -4.782 706 2HA GLY 87 1HA GLY 87 2.214 13.648 -4.591 707 H VAL 88 H VAL 88 1.494 10.217 -4.458 708 HA VAL 88 HA VAL 88 0.855 10.547 -1.555 709 HB VAL 88 HB VAL 88 -0.375 8.662 -3.593 710 1HG1 VAL 88 1HG1 VAL 88 -0.298 7.835 -1.205 711 2HG1 VAL 88 2HG1 VAL 88 -1.930 8.055 -1.837 712 3HG1 VAL 88 3HG1 VAL 88 -1.237 9.256 -0.744 713 1HG2 VAL 88 1HG2 VAL 88 -1.298 10.723 -4.137 714 2HG2 VAL 88 2HG2 VAL 88 -1.125 11.350 -2.499 715 3HG2 VAL 88 3HG2 VAL 88 -2.409 10.201 -2.872 716 H SER 89 H SER 89 1.401 8.820 -0.140 717 HA SER 89 HA SER 89 3.575 7.067 -1.185 718 1HB SER 89 2HB SER 89 2.989 8.324 1.462 719 2HB SER 89 1HB SER 89 3.822 6.773 1.459 720 HG SER 89 HG SER 89 5.511 7.981 1.093 721 H ILE 90 H ILE 90 3.577 4.816 -0.556 722 HA ILE 90 HA ILE 90 0.930 3.801 0.391 723 HB ILE 90 HB ILE 90 2.667 2.532 -1.750 724 1HG1 ILE 90 2HG1 ILE 90 0.038 4.038 -1.964 725 2HG1 ILE 90 1HG1 ILE 90 1.602 4.631 -2.517 726 1HG2 ILE 90 1HG2 ILE 90 0.621 1.104 -2.058 727 2HG2 ILE 90 2HG2 ILE 90 -0.068 1.856 -0.620 728 3HG2 ILE 90 3HG2 ILE 90 1.396 0.881 -0.490 729 1HD1 ILE 90 1HD1 ILE 90 -0.031 2.342 -3.612 730 2HD1 ILE 90 2HD1 ILE 90 1.698 2.469 -3.935 731 3HD1 ILE 90 3HD1 ILE 90 0.606 3.746 -4.470 732 H ARG 91 H ARG 91 1.185 2.694 2.241 733 HA ARG 91 HA ARG 91 3.865 1.665 2.972 734 1HB ARG 91 2HB ARG 91 1.314 2.235 4.458 735 2HB ARG 91 1HB ARG 91 2.504 1.138 5.161 736 1HG ARG 91 2HG ARG 91 4.238 2.881 4.947 737 2HG ARG 91 1HG ARG 91 3.049 3.979 4.249 738 1HD ARG 91 2HD ARG 91 1.858 4.174 6.268 739 2HD ARG 91 1HD ARG 91 2.561 2.698 6.930 740 HE ARG 91 HE ARG 91 4.736 4.387 6.577 741 1HH1 ARG 91 1HH2 ARG 91 1.678 4.589 8.264 742 2HH1 ARG 91 2HH2 ARG 91 2.305 5.648 9.478 743 1HH2 ARG 91 1HH1 ARG 91 5.503 5.758 8.171 744 2HH2 ARG 91 2HH1 ARG 91 4.446 6.304 9.429 745 H PHE 92 H PHE 92 4.350 -0.467 2.752 746 HA PHE 92 HA PHE 92 2.106 -2.356 2.204 747 1HB PHE 92 2HB PHE 92 4.889 -2.098 1.229 748 2HB PHE 92 1HB PHE 92 4.380 -3.749 1.584 749 HD1 PHE 92 1HD PHE 92 2.861 -4.905 0.163 750 HD2 PHE 92 2HD PHE 92 3.476 -0.682 -0.331 751 HE1 PHE 92 1HE PHE 92 1.572 -4.964 -1.952 752 HE2 PHE 92 2HE PHE 92 2.186 -0.743 -2.448 753 HZ PHE 92 HZ PHE 92 1.233 -2.884 -3.259 754 H ILE 93 H ILE 93 1.679 -3.955 3.640 755 HA ILE 93 HA ILE 93 2.740 -4.005 6.255 756 HB ILE 93 HB ILE 93 0.585 -5.006 5.519 757 1HG1 ILE 93 2HG1 ILE 93 1.801 -5.601 7.697 758 2HG1 ILE 93 1HG1 ILE 93 0.544 -6.707 7.165 759 1HG2 ILE 93 1HG2 ILE 93 1.360 -6.097 3.469 760 2HG2 ILE 93 2HG2 ILE 93 0.566 -7.260 4.529 761 3HG2 ILE 93 3HG2 ILE 93 2.325 -7.227 4.419 762 1HD1 ILE 93 1HD1 ILE 93 3.312 -7.263 7.694 763 2HD1 ILE 93 2HD1 ILE 93 2.987 -7.613 6.000 764 3HD1 ILE 93 3HD1 ILE 93 2.033 -8.392 7.258 765 H ASP 94 H ASP 94 3.993 -5.430 3.328 766 HA ASP 94 HA ASP 94 5.589 -7.533 4.259 767 1HB ASP 94 2HB ASP 94 5.289 -6.414 1.861 768 2HB ASP 94 1HB ASP 94 6.803 -5.625 2.305 769 H ASP 95 H ASP 95 6.457 -4.054 4.187 770 HA ASP 95 HA ASP 95 8.181 -4.445 6.530 771 1HB ASP 95 2HB ASP 95 9.271 -4.134 3.775 772 2HB ASP 95 1HB ASP 95 10.065 -3.224 5.059 773 H GLY 96 H GLY 96 5.843 -2.740 5.514 774 1HA GLY 96 2HA GLY 96 5.179 -0.593 6.323 775 2HA GLY 96 1HA GLY 96 6.873 -0.202 6.608 776 H ILE 97 H ILE 97 7.317 -1.282 3.683 777 HA ILE 97 HA ILE 97 6.051 0.851 2.111 778 HB ILE 97 HB ILE 97 8.284 1.678 1.299 779 1HG1 ILE 97 2HG1 ILE 97 9.322 0.150 3.709 780 2HG1 ILE 97 1HG1 ILE 97 9.548 -0.357 2.036 781 1HG2 ILE 97 1HG2 ILE 97 6.882 2.742 3.170 782 2HG2 ILE 97 2HG2 ILE 97 8.588 3.185 3.117 783 3HG2 ILE 97 3HG2 ILE 97 8.021 1.999 4.294 784 1HD1 ILE 97 1HD1 ILE 97 11.265 1.289 3.444 785 2HD1 ILE 97 2HD1 ILE 97 10.314 2.440 2.505 786 3HD1 ILE 97 3HD1 ILE 97 11.201 1.153 1.688 787 H SER 98 H SER 98 7.327 0.712 -0.214 788 HA SER 98 HA SER 98 7.944 -2.107 -0.867 789 1HB SER 98 2HB SER 98 5.372 -0.921 -1.335 790 2HB SER 98 1HB SER 98 6.143 -1.213 -2.890 791 HG SER 98 HG SER 98 5.967 -3.113 -0.785 792 H THR 99 H THR 99 6.958 0.632 -2.927 793 HA THR 99 HA THR 99 9.519 0.387 -4.383 794 HB THR 99 HB THR 99 7.397 0.570 -5.662 795 HG1 THR 99 1HG THR 99 8.770 1.426 -6.982 796 1HG2 THR 99 1HG2 THR 99 6.681 2.428 -3.752 797 2HG2 THR 99 2HG2 THR 99 5.845 2.180 -5.285 798 3HG2 THR 99 3HG2 THR 99 7.067 3.445 -5.140 799 H ASP 100 H ASP 100 10.103 1.269 -1.911 800 HA ASP 100 HA ASP 100 9.945 4.086 -1.463 801 1HB ASP 100 2HB ASP 100 10.548 2.400 0.275 802 2HB ASP 100 1HB ASP 100 12.097 2.162 -0.533 803 H GLY 101 H GLY 101 10.459 5.042 -3.522 804 1HA GLY 101 2HA GLY 101 13.156 5.885 -3.835 805 2HA GLY 101 1HA GLY 101 12.851 4.584 -4.987 806 H GLU 102 H GLU 102 10.355 4.990 -5.874 807 HA GLU 102 HA GLU 102 10.590 7.181 -7.687 808 1HB GLU 102 2HB GLU 102 8.222 5.499 -6.841 809 2HB GLU 102 1HB GLU 102 8.123 6.721 -8.108 810 1HG GLU 102 2HG GLU 102 10.240 4.574 -8.177 811 2HG GLU 102 1HG GLU 102 8.628 4.288 -8.833 812 H MET 103 H MET 103 9.248 6.960 -4.460 813 HA MET 103 HA MET 103 7.697 9.410 -4.616 814 1HB MET 103 2HB MET 103 7.652 9.200 -2.110 815 2HB MET 103 1HB MET 103 7.110 7.744 -2.946 816 1HG MET 103 2HG MET 103 8.991 6.539 -2.365 817 2HG MET 103 1HG MET 103 10.020 7.969 -2.307 818 1HE MET 103 1HE MET 103 10.521 9.345 -0.404 819 2HE MET 103 2HE MET 103 9.517 9.564 1.028 820 3HE MET 103 3HE MET 103 8.901 10.039 -0.554 821 H GLY 104 H GLY 104 9.758 10.421 -5.715 822 1HA GLY 104 2HA GLY 104 11.060 12.083 -3.646 823 2HA GLY 104 1HA GLY 104 12.129 11.157 -4.699 824 H LYS 105 H LYS 105 9.140 13.053 -5.245 825 HA LYS 105 HA LYS 105 8.670 14.736 -6.809 826 1HB LYS 105 2HB LYS 105 10.842 15.609 -5.541 827 2HB LYS 105 1HB LYS 105 11.584 15.342 -7.119 828 1HG LYS 105 2HG LYS 105 10.094 16.855 -8.194 829 2HG LYS 105 1HG LYS 105 9.010 16.892 -6.804 830 1HD LYS 105 2HD LYS 105 11.827 17.716 -6.318 831 2HD LYS 105 1HD LYS 105 10.831 18.823 -7.264 832 1HE LYS 105 2HE LYS 105 9.067 18.348 -5.340 833 2HE LYS 105 1HE LYS 105 10.517 17.953 -4.416 834 1HZ LYS 105 1HZ LYS 105 10.183 20.471 -5.947 835 2HZ LYS 105 2HZ LYS 105 11.411 20.092 -4.835 836 3HZ LYS 105 3HZ LYS 105 9.816 20.324 -4.298 Start of MODEL 7 1 1H MET 1 1HT MET 1 -1.746 15.110 7.274 2 HA MET 1 HA MET 1 -1.716 13.598 4.722 3 1HB MET 1 2HB MET 1 0.533 13.814 5.918 4 2HB MET 1 1HB MET 1 -0.206 12.937 7.258 5 1HG MET 1 2HG MET 1 -0.666 11.030 5.840 6 2HG MET 1 1HG MET 1 -0.140 11.914 4.407 7 1HE MET 1 1HE MET 1 1.509 10.540 8.044 8 2HE MET 1 2HE MET 1 2.019 9.213 7.004 9 3HE MET 1 3HE MET 1 0.334 9.728 7.000 10 H ARG 2 H ARG 2 -2.641 11.452 5.024 11 HA ARG 2 HA ARG 2 -4.298 11.147 7.488 12 1HB ARG 2 2HB ARG 2 -5.209 11.492 4.714 13 2HB ARG 2 1HB ARG 2 -5.872 10.052 5.481 14 1HG ARG 2 2HG ARG 2 -7.405 11.438 6.402 15 2HG ARG 2 1HG ARG 2 -6.109 11.962 7.476 16 1HD ARG 2 2HD ARG 2 -6.152 13.253 4.808 17 2HD ARG 2 1HD ARG 2 -7.500 13.658 5.871 18 HE ARG 2 HE ARG 2 -4.913 13.835 7.203 19 1HH1 ARG 2 1HH2 ARG 2 -7.232 15.516 5.193 20 2HH1 ARG 2 2HH2 ARG 2 -6.676 17.076 5.685 21 1HH2 ARG 2 1HH1 ARG 2 -4.227 15.875 7.809 22 2HH2 ARG 2 2HH1 ARG 2 -4.994 17.281 7.150 23 H LEU 3 H LEU 3 -4.936 8.897 7.876 24 HA LEU 3 HA LEU 3 -2.922 6.994 6.781 25 1HB LEU 3 2HB LEU 3 -4.705 6.830 9.230 26 2HB LEU 3 1HB LEU 3 -3.566 5.581 8.732 27 HG LEU 3 HG LEU 3 -1.879 7.650 8.708 28 1HD1 LEU 3 1HD1 LEU 3 -3.179 9.462 9.358 29 2HD1 LEU 3 2HD1 LEU 3 -2.583 8.921 10.927 30 3HD1 LEU 3 3HD1 LEU 3 -4.209 8.481 10.402 31 1HD2 LEU 3 1HD2 LEU 3 -2.820 5.921 10.989 32 2HD2 LEU 3 2HD2 LEU 3 -1.529 7.095 11.241 33 3HD2 LEU 3 3HD2 LEU 3 -1.328 5.806 10.055 34 H PHE 4 H PHE 4 -4.068 6.617 4.783 35 HA PHE 4 HA PHE 4 -6.793 5.487 4.950 36 1HB PHE 4 2HB PHE 4 -5.162 6.775 2.917 37 2HB PHE 4 1HB PHE 4 -5.802 5.249 2.308 38 HD1 PHE 4 1HD PHE 4 -6.579 8.659 3.292 39 HD2 PHE 4 2HD PHE 4 -8.276 4.819 2.390 40 HE1 PHE 4 1HE PHE 4 -8.807 9.712 3.004 41 HE2 PHE 4 2HE PHE 4 -10.505 5.870 2.100 42 HZ PHE 4 HZ PHE 4 -10.770 8.316 2.412 43 H GLY 5 H GLY 5 -7.261 3.315 4.151 44 1HA GLY 5 2HA GLY 5 -4.907 1.524 3.844 45 2HA GLY 5 1HA GLY 5 -6.080 1.149 5.102 46 H TYR 6 H TYR 6 -5.311 -0.295 2.590 47 HA TYR 6 HA TYR 6 -7.961 -0.367 1.211 48 1HB TYR 6 2HB TYR 6 -6.088 0.078 -0.296 49 2HB TYR 6 1HB TYR 6 -5.201 -1.303 0.342 50 HD1 TYR 6 1HD TYR 6 -5.415 -3.404 -0.665 51 HD2 TYR 6 2HD TYR 6 -8.409 -0.408 -1.378 52 HE1 TYR 6 1HE TYR 6 -6.488 -4.880 -2.343 53 HE2 TYR 6 2HE TYR 6 -9.483 -1.886 -3.054 54 HH TYR 6 HH TYR 6 -8.467 -3.941 -4.614 55 H ALA 7 H ALA 7 -9.005 -2.425 0.983 56 HA ALA 7 HA ALA 7 -7.759 -4.756 2.326 57 1HB ALA 7 1HB ALA 7 -10.092 -3.224 3.344 58 2HB ALA 7 2HB ALA 7 -8.917 -4.201 4.223 59 3HB ALA 7 3HB ALA 7 -10.247 -4.980 3.370 60 H ARG 8 H ARG 8 -9.188 -6.734 2.035 61 HA ARG 8 HA ARG 8 -11.243 -6.762 0.004 62 1HB ARG 8 2HB ARG 8 -9.232 -6.368 -1.432 63 2HB ARG 8 1HB ARG 8 -8.528 -7.858 -0.800 64 1HG ARG 8 2HG ARG 8 -9.905 -9.193 -2.038 65 2HG ARG 8 1HG ARG 8 -11.289 -8.116 -1.843 66 1HD ARG 8 2HD ARG 8 -10.427 -8.249 -4.205 67 2HD ARG 8 1HD ARG 8 -10.442 -6.615 -3.542 68 HE ARG 8 HE ARG 8 -7.894 -7.652 -2.979 69 1HH1 ARG 8 1HH2 ARG 8 -9.828 -6.968 -5.810 70 2HH1 ARG 8 2HH2 ARG 8 -8.447 -6.652 -6.800 71 1HH2 ARG 8 1HH1 ARG 8 -6.136 -7.237 -4.296 72 2HH2 ARG 8 2HH1 ARG 8 -6.378 -6.803 -5.955 73 H VAL 9 H VAL 9 -12.457 -8.273 1.068 74 HA VAL 9 HA VAL 9 -11.464 -10.266 2.810 75 HB VAL 9 HB VAL 9 -13.680 -11.303 2.654 76 1HG1 VAL 9 1HG1 VAL 9 -14.809 -9.535 3.638 77 2HG1 VAL 9 2HG1 VAL 9 -14.224 -8.366 2.453 78 3HG1 VAL 9 3HG1 VAL 9 -13.148 -8.947 3.723 79 1HG2 VAL 9 1HG2 VAL 9 -14.884 -9.421 0.790 80 2HG2 VAL 9 2HG2 VAL 9 -14.960 -11.181 0.798 81 3HG2 VAL 9 3HG2 VAL 9 -13.620 -10.362 0.001 82 H SER 10 H SER 10 -10.949 -12.414 2.563 83 HA SER 10 HA SER 10 -10.732 -13.417 -0.246 84 1HB SER 10 2HB SER 10 -8.588 -12.823 1.258 85 2HB SER 10 1HB SER 10 -8.886 -14.453 1.856 86 HG SER 10 HG SER 10 -8.611 -15.247 -0.167 87 H THR 11 H THR 11 -11.411 -14.188 3.143 88 HA THR 11 HA THR 11 -12.193 -16.945 2.385 89 HB THR 11 HB THR 11 -10.816 -16.683 4.414 90 HG1 THR 11 1HG THR 11 -12.058 -17.985 5.641 91 1HG2 THR 11 1HG2 THR 11 -11.172 -14.720 5.521 92 2HG2 THR 11 2HG2 THR 11 -12.408 -15.643 6.374 93 3HG2 THR 11 3HG2 THR 11 -12.858 -14.622 5.009 94 H SER 12 H SER 12 -14.298 -17.700 3.540 95 HA SER 12 HA SER 12 -16.441 -15.850 2.726 96 1HB SER 12 2HB SER 12 -16.381 -18.719 3.670 97 2HB SER 12 1HB SER 12 -17.895 -17.841 3.478 98 HG SER 12 HG SER 12 -16.835 -19.117 1.620 99 H GLN 13 H GLN 13 -14.964 -17.085 5.658 100 HA GLN 13 HA GLN 13 -17.039 -16.376 7.498 101 1HB GLN 13 2HB GLN 13 -14.584 -17.625 7.680 102 2HB GLN 13 1HB GLN 13 -14.280 -16.093 8.498 103 1HG GLN 13 2HG GLN 13 -16.263 -16.471 9.930 104 2HG GLN 13 1HG GLN 13 -16.542 -18.015 9.125 105 1HE2 GLN 13 1HE2 GLN 13 -16.113 -19.336 10.998 106 2HE2 GLN 13 2HE2 GLN 13 -14.568 -19.449 11.693 107 H GLN 14 H GLN 14 -15.665 -14.666 9.333 108 HA GLN 14 HA GLN 14 -16.360 -12.091 8.230 109 1HB GLN 14 2HB GLN 14 -15.533 -11.207 10.389 110 2HB GLN 14 1HB GLN 14 -16.619 -12.576 10.618 111 1HG GLN 14 2HG GLN 14 -14.232 -13.872 10.442 112 2HG GLN 14 1HG GLN 14 -13.715 -12.352 11.171 113 1HE2 GLN 14 1HE2 GLN 14 -13.443 -12.981 13.355 114 2HE2 GLN 14 2HE2 GLN 14 -14.680 -13.654 14.302 115 H SER 15 H SER 15 -14.752 -12.525 6.331 116 HA SER 15 HA SER 15 -11.930 -12.167 6.833 117 1HB SER 15 2HB SER 15 -12.442 -11.283 4.213 118 2HB SER 15 1HB SER 15 -11.920 -12.888 4.701 119 HG SER 15 HG SER 15 -13.787 -13.316 3.731 120 H LEU 16 H LEU 16 -14.428 -9.930 5.557 121 HA LEU 16 HA LEU 16 -12.868 -7.605 5.352 122 1HB LEU 16 2HB LEU 16 -15.110 -7.575 4.515 123 2HB LEU 16 1HB LEU 16 -15.784 -7.988 6.084 124 HG LEU 16 HG LEU 16 -14.170 -5.526 6.125 125 1HD1 LEU 16 1HD1 LEU 16 -16.828 -5.346 4.712 126 2HD1 LEU 16 2HD1 LEU 16 -15.339 -5.591 3.799 127 3HD1 LEU 16 3HD1 LEU 16 -15.539 -4.146 4.791 128 1HD2 LEU 16 1HD2 LEU 16 -15.555 -6.139 8.008 129 2HD2 LEU 16 2HD2 LEU 16 -16.973 -6.308 6.975 130 3HD2 LEU 16 3HD2 LEU 16 -16.278 -4.714 7.264 131 H ASP 17 H ASP 17 -14.336 -9.016 8.251 132 HA ASP 17 HA ASP 17 -13.749 -6.798 9.993 133 1HB ASP 17 2HB ASP 17 -15.250 -9.012 10.273 134 2HB ASP 17 1HB ASP 17 -13.792 -9.559 11.102 135 H ILE 18 H ILE 18 -12.026 -9.823 9.240 136 HA ILE 18 HA ILE 18 -9.832 -9.312 11.046 137 HB ILE 18 HB ILE 18 -9.868 -11.057 8.564 138 1HG1 ILE 18 2HG1 ILE 18 -10.208 -12.212 11.283 139 2HG1 ILE 18 1HG1 ILE 18 -11.589 -11.319 10.648 140 1HG2 ILE 18 1HG2 ILE 18 -7.701 -10.357 10.018 141 2HG2 ILE 18 2HG2 ILE 18 -7.882 -11.950 9.287 142 3HG2 ILE 18 3HG2 ILE 18 -8.274 -11.712 10.989 143 1HD1 ILE 18 1HD1 ILE 18 -10.391 -13.870 9.705 144 2HD1 ILE 18 2HD1 ILE 18 -10.961 -12.763 8.459 145 3HD1 ILE 18 3HD1 ILE 18 -12.075 -13.347 9.695 146 H GLN 19 H GLN 19 -10.433 -8.544 7.632 147 HA GLN 19 HA GLN 19 -7.752 -7.666 7.058 148 1HB GLN 19 2HB GLN 19 -10.115 -6.390 5.705 149 2HB GLN 19 1HB GLN 19 -8.550 -6.821 5.028 150 1HG GLN 19 2HG GLN 19 -9.700 -9.252 5.919 151 2HG GLN 19 1HG GLN 19 -10.989 -8.378 5.092 152 1HE2 GLN 19 1HE2 GLN 19 -9.559 -10.798 4.119 153 2HE2 GLN 19 2HE2 GLN 19 -8.831 -10.356 2.651 154 H VAL 20 H VAL 20 -10.691 -5.878 8.041 155 HA VAL 20 HA VAL 20 -9.592 -3.279 8.152 156 HB VAL 20 HB VAL 20 -11.622 -4.541 10.023 157 1HG1 VAL 20 1HG1 VAL 20 -12.351 -1.984 9.962 158 2HG1 VAL 20 2HG1 VAL 20 -10.635 -1.745 9.631 159 3HG1 VAL 20 3HG1 VAL 20 -11.144 -2.557 11.112 160 1HG2 VAL 20 1HG2 VAL 20 -11.846 -4.302 7.332 161 2HG2 VAL 20 2HG2 VAL 20 -12.411 -2.706 7.823 162 3HG2 VAL 20 3HG2 VAL 20 -13.219 -4.152 8.426 163 H ARG 21 H ARG 21 -9.636 -5.787 10.695 164 HA ARG 21 HA ARG 21 -8.198 -4.330 12.685 165 1HB ARG 21 2HB ARG 21 -7.914 -7.310 12.216 166 2HB ARG 21 1HB ARG 21 -7.794 -6.442 13.743 167 1HG ARG 21 2HG ARG 21 -10.362 -5.881 12.570 168 2HG ARG 21 1HG ARG 21 -10.112 -7.624 12.572 169 1HD ARG 21 2HD ARG 21 -9.260 -6.384 15.080 170 2HD ARG 21 1HD ARG 21 -10.966 -6.106 14.734 171 HE ARG 21 HE ARG 21 -10.583 -8.817 14.232 172 1HH1 ARG 21 1HH2 ARG 21 -10.082 -6.678 16.953 173 2HH1 ARG 21 2HH2 ARG 21 -10.357 -7.928 18.115 174 1HH2 ARG 21 1HH1 ARG 21 -10.932 -10.404 15.769 175 2HH2 ARG 21 2HH1 ARG 21 -10.834 -10.015 17.455 176 H ALA 22 H ALA 22 -7.163 -6.142 9.856 177 HA ALA 22 HA ALA 22 -4.345 -6.171 10.454 178 1HB ALA 22 1HB ALA 22 -4.072 -7.010 8.278 179 2HB ALA 22 2HB ALA 22 -5.437 -6.086 7.647 180 3HB ALA 22 3HB ALA 22 -5.722 -7.503 8.658 181 H LEU 23 H LEU 23 -6.507 -3.889 8.824 182 HA LEU 23 HA LEU 23 -4.369 -2.133 7.925 183 1HB LEU 23 2HB LEU 23 -7.284 -1.420 8.360 184 2HB LEU 23 1HB LEU 23 -6.130 -0.594 7.316 185 HG LEU 23 HG LEU 23 -7.049 -3.459 6.952 186 1HD1 LEU 23 1HD1 LEU 23 -7.955 -2.175 4.773 187 2HD1 LEU 23 2HD1 LEU 23 -8.036 -0.844 5.929 188 3HD1 LEU 23 3HD1 LEU 23 -8.922 -2.335 6.239 189 1HD2 LEU 23 1HD2 LEU 23 -5.442 -1.644 5.132 190 2HD2 LEU 23 2HD2 LEU 23 -5.873 -3.324 4.819 191 3HD2 LEU 23 3HD2 LEU 23 -4.752 -2.931 6.121 192 H LYS 24 H LYS 24 -6.702 -2.073 10.630 193 HA LYS 24 HA LYS 24 -5.783 0.364 11.801 194 1HB LYS 24 2HB LYS 24 -7.584 -1.800 12.505 195 2HB LYS 24 1HB LYS 24 -6.634 -1.323 13.910 196 1HG LYS 24 2HG LYS 24 -8.484 0.132 13.990 197 2HG LYS 24 1HG LYS 24 -7.234 1.109 13.217 198 1HD LYS 24 2HD LYS 24 -9.060 1.442 11.794 199 2HD LYS 24 1HD LYS 24 -8.204 0.122 10.994 200 1HE LYS 24 2HE LYS 24 -10.655 -0.301 11.179 201 2HE LYS 24 1HE LYS 24 -9.692 -1.517 12.019 202 1HZ LYS 24 1HZ LYS 24 -10.296 -0.722 14.059 203 2HZ LYS 24 2HZ LYS 24 -11.712 -0.388 13.183 204 3HZ LYS 24 3HZ LYS 24 -10.595 0.851 13.500 205 H ASP 25 H ASP 25 -4.768 -3.010 12.274 206 HA ASP 25 HA ASP 25 -2.874 -2.532 14.353 207 1HB ASP 25 2HB ASP 25 -3.795 -4.764 13.266 208 2HB ASP 25 1HB ASP 25 -2.383 -4.592 12.235 209 H ALA 26 H ALA 26 -2.759 -2.291 10.861 210 HA ALA 26 HA ALA 26 0.088 -1.847 10.637 211 1HB ALA 26 1HB ALA 26 -2.310 -1.698 8.881 212 2HB ALA 26 2HB ALA 26 -0.754 -2.478 8.592 213 3HB ALA 26 3HB ALA 26 -0.917 -0.732 8.392 214 H GLY 27 H GLY 27 -2.754 0.180 11.110 215 1HA GLY 27 2HA GLY 27 -2.251 2.313 12.398 216 2HA GLY 27 1HA GLY 27 -0.967 2.583 11.215 217 H VAL 28 H VAL 28 -4.269 1.386 10.736 218 HA VAL 28 HA VAL 28 -4.730 3.661 8.857 219 HB VAL 28 HB VAL 28 -5.822 0.826 8.819 220 1HG1 VAL 28 1HG1 VAL 28 -6.189 2.953 6.700 221 2HG1 VAL 28 2HG1 VAL 28 -7.377 2.692 7.977 222 3HG1 VAL 28 3HG1 VAL 28 -7.012 1.399 6.837 223 1HG2 VAL 28 1HG2 VAL 28 -3.719 0.572 7.930 224 2HG2 VAL 28 2HG2 VAL 28 -3.611 2.259 7.427 225 3HG2 VAL 28 3HG2 VAL 28 -4.559 1.113 6.478 226 H LYS 29 H LYS 29 -6.744 4.721 8.990 227 HA LYS 29 HA LYS 29 -8.093 4.525 11.586 228 1HB LYS 29 2HB LYS 29 -7.832 6.484 9.466 229 2HB LYS 29 1HB LYS 29 -9.533 6.269 9.874 230 1HG LYS 29 2HG LYS 29 -9.276 7.126 11.982 231 2HG LYS 29 1HG LYS 29 -7.654 6.460 12.168 232 1HD LYS 29 2HD LYS 29 -6.645 8.249 11.068 233 2HD LYS 29 1HD LYS 29 -8.110 8.659 10.177 234 1HE LYS 29 2HE LYS 29 -9.007 9.860 11.925 235 2HE LYS 29 1HE LYS 29 -8.221 8.863 13.150 236 1HZ LYS 29 1HZ LYS 29 -6.868 10.854 11.410 237 2HZ LYS 29 2HZ LYS 29 -6.112 9.893 12.589 238 3HZ LYS 29 3HZ LYS 29 -7.247 11.070 13.049 239 H ALA 30 H ALA 30 -10.178 3.721 11.925 240 HA ALA 30 HA ALA 30 -11.164 1.711 10.149 241 1HB ALA 30 1HB ALA 30 -11.667 2.359 12.743 242 2HB ALA 30 2HB ALA 30 -12.684 1.275 11.796 243 3HB ALA 30 3HB ALA 30 -13.130 2.973 11.973 244 H ASN 31 H ASN 31 -11.870 5.140 10.479 245 HA ASN 31 HA ASN 31 -14.225 5.167 8.828 246 1HB ASN 31 2HB ASN 31 -12.781 7.015 10.364 247 2HB ASN 31 1HB ASN 31 -12.639 7.617 8.716 248 1HD2 ASN 31 1HD2 ASN 31 -15.126 6.406 11.022 249 2HD2 ASN 31 2HD2 ASN 31 -16.370 7.396 10.431 250 H ARG 32 H ARG 32 -10.798 5.042 8.153 251 HA ARG 32 HA ARG 32 -11.360 5.522 5.258 252 1HB ARG 32 2HB ARG 32 -8.570 5.431 6.382 253 2HB ARG 32 1HB ARG 32 -9.167 6.293 4.968 254 1HG ARG 32 2HG ARG 32 -10.509 7.749 6.581 255 2HG ARG 32 1HG ARG 32 -9.573 7.011 7.881 256 1HD ARG 32 2HD ARG 32 -7.491 7.691 6.504 257 2HD ARG 32 1HD ARG 32 -8.592 8.750 5.622 258 HE ARG 32 HE ARG 32 -7.603 9.190 8.311 259 1HH1 ARG 32 1HH2 ARG 32 -10.332 9.695 6.182 260 2HH1 ARG 32 2HH2 ARG 32 -10.886 11.078 7.057 261 1HH2 ARG 32 1HH1 ARG 32 -8.356 10.985 9.412 262 2HH2 ARG 32 2HH1 ARG 32 -9.782 11.804 8.866 263 H ILE 33 H ILE 33 -12.218 3.138 5.854 264 HA ILE 33 HA ILE 33 -9.988 1.223 5.298 265 HB ILE 33 HB ILE 33 -12.708 0.725 6.551 266 1HG1 ILE 33 2HG1 ILE 33 -11.114 1.945 8.008 267 2HG1 ILE 33 1HG1 ILE 33 -11.437 0.322 8.612 268 1HG2 ILE 33 1HG2 ILE 33 -10.744 -1.388 6.889 269 2HG2 ILE 33 2HG2 ILE 33 -11.034 -1.077 5.179 270 3HG2 ILE 33 3HG2 ILE 33 -12.381 -1.482 6.242 271 1HD1 ILE 33 1HD1 ILE 33 -9.054 0.696 8.753 272 2HD1 ILE 33 2HD1 ILE 33 -8.991 1.246 7.079 273 3HD1 ILE 33 3HD1 ILE 33 -9.337 -0.444 7.439 274 H PHE 34 H PHE 34 -10.206 1.833 2.988 275 HA PHE 34 HA PHE 34 -12.727 1.253 1.625 276 1HB PHE 34 2HB PHE 34 -10.214 2.531 0.973 277 2HB PHE 34 1HB PHE 34 -10.601 1.335 -0.263 278 HD1 PHE 34 1HD PHE 34 -13.389 1.306 -0.622 279 HD2 PHE 34 2HD PHE 34 -10.914 4.670 0.379 280 HE1 PHE 34 1HE PHE 34 -15.090 2.840 -1.572 281 HE2 PHE 34 2HE PHE 34 -12.615 6.204 -0.572 282 HZ PHE 34 HZ PHE 34 -14.702 5.289 -1.548 283 H THR 35 H THR 35 -12.903 -0.966 2.475 284 HA THR 35 HA THR 35 -10.980 -2.966 1.526 285 HB THR 35 HB THR 35 -12.052 -3.287 3.702 286 HG1 THR 35 1HG THR 35 -12.891 -5.384 3.293 287 1HG2 THR 35 1HG2 THR 35 -14.707 -3.992 2.801 288 2HG2 THR 35 2HG2 THR 35 -14.346 -2.323 2.366 289 3HG2 THR 35 3HG2 THR 35 -14.230 -2.841 4.047 290 H ASP 36 H ASP 36 -12.011 -4.978 0.426 291 HA ASP 36 HA ASP 36 -13.954 -4.097 -1.672 292 1HB ASP 36 2HB ASP 36 -11.540 -5.902 -2.038 293 2HB ASP 36 1HB ASP 36 -12.712 -5.490 -3.289 294 H LYS 37 H LYS 37 -15.788 -5.214 -1.132 295 HA LYS 37 HA LYS 37 -15.764 -7.734 0.259 296 1HB LYS 37 2HB LYS 37 -17.985 -6.453 -1.359 297 2HB LYS 37 1HB LYS 37 -18.183 -7.774 -0.209 298 1HG LYS 37 2HG LYS 37 -17.019 -5.077 0.534 299 2HG LYS 37 1HG LYS 37 -18.724 -5.483 0.724 300 1HD LYS 37 2HD LYS 37 -16.445 -7.044 1.985 301 2HD LYS 37 1HD LYS 37 -17.401 -5.823 2.822 302 1HE LYS 37 2HE LYS 37 -18.403 -8.430 1.647 303 2HE LYS 37 1HE LYS 37 -18.341 -7.985 3.352 304 1HZ LYS 37 1HZ LYS 37 -19.820 -6.046 2.661 305 2HZ LYS 37 2HZ LYS 37 -20.529 -7.588 2.733 306 3HZ LYS 37 3HZ LYS 37 -20.100 -6.917 1.233 307 H ALA 38 H ALA 38 -14.237 -8.878 -1.166 308 HA ALA 38 HA ALA 38 -15.030 -9.589 -3.877 309 1HB ALA 38 1HB ALA 38 -13.107 -11.391 -3.298 310 2HB ALA 38 2HB ALA 38 -12.766 -10.207 -2.036 311 3HB ALA 38 3HB ALA 38 -12.734 -9.722 -3.731 312 H SER 39 H SER 39 -17.229 -10.258 -2.612 313 HA SER 39 HA SER 39 -17.138 -13.228 -2.461 314 1HB SER 39 2HB SER 39 -17.269 -11.823 -0.165 315 2HB SER 39 1HB SER 39 -18.981 -11.839 -0.579 316 HG SER 39 HG SER 39 -17.450 -13.809 0.408 317 H GLY 40 H GLY 40 -18.040 -11.266 -4.505 318 1HA GLY 40 2HA GLY 40 -20.988 -11.613 -4.455 319 2HA GLY 40 1HA GLY 40 -20.095 -10.585 -5.578 320 H SER 41 H SER 41 -20.214 -11.374 -7.609 321 HA SER 41 HA SER 41 -20.708 -14.230 -8.089 322 1HB SER 41 2HB SER 41 -20.566 -11.763 -9.796 323 2HB SER 41 1HB SER 41 -20.442 -13.346 -10.556 324 HG SER 41 HG SER 41 -22.508 -12.508 -8.794 325 H SER 42 H SER 42 -18.034 -11.958 -8.283 326 HA SER 42 HA SER 42 -16.175 -14.224 -8.674 327 1HB SER 42 2HB SER 42 -14.992 -12.690 -10.450 328 2HB SER 42 1HB SER 42 -16.340 -13.708 -10.947 329 HG SER 42 HG SER 42 -17.491 -11.977 -11.289 330 H SER 43 H SER 43 -16.435 -10.666 -8.445 331 HA SER 43 HA SER 43 -14.902 -10.497 -6.036 332 1HB SER 43 2HB SER 43 -12.940 -9.241 -7.284 333 2HB SER 43 1HB SER 43 -12.897 -10.992 -7.101 334 HG SER 43 HG SER 43 -13.897 -9.554 -9.342 335 H ASP 44 H ASP 44 -14.641 -8.255 -5.360 336 HA ASP 44 HA ASP 44 -16.226 -6.344 -7.033 337 1HB ASP 44 2HB ASP 44 -17.095 -7.235 -4.680 338 2HB ASP 44 1HB ASP 44 -16.005 -5.990 -4.072 339 H ARG 45 H ARG 45 -14.202 -5.626 -8.008 340 HA ARG 45 HA ARG 45 -12.101 -4.509 -6.310 341 1HB ARG 45 2HB ARG 45 -12.613 -4.585 -9.283 342 2HB ARG 45 1HB ARG 45 -11.324 -3.585 -8.613 343 1HG ARG 45 2HG ARG 45 -10.056 -5.391 -7.989 344 2HG ARG 45 1HG ARG 45 -11.465 -6.392 -7.640 345 1HD ARG 45 2HD ARG 45 -10.186 -7.162 -9.653 346 2HD ARG 45 1HD ARG 45 -11.862 -6.750 -10.012 347 HE ARG 45 HE ARG 45 -10.297 -4.421 -10.429 348 1HH1 ARG 45 1HH2 ARG 45 -10.702 -7.625 -11.773 349 2HH1 ARG 45 2HH2 ARG 45 -10.217 -7.133 -13.356 350 1HH2 ARG 45 1HH1 ARG 45 -9.675 -3.827 -12.496 351 2HH2 ARG 45 2HH1 ARG 45 -9.642 -5.006 -13.765 352 H LYS 46 H LYS 46 -13.827 -3.139 -5.168 353 HA LYS 46 HA LYS 46 -14.317 -0.599 -6.670 354 1HB LYS 46 2HB LYS 46 -15.747 -1.783 -4.272 355 2HB LYS 46 1HB LYS 46 -16.089 -0.189 -4.949 356 1HG LYS 46 2HG LYS 46 -16.392 -1.452 -7.198 357 2HG LYS 46 1HG LYS 46 -16.534 -2.897 -6.195 358 1HD LYS 46 2HD LYS 46 -18.478 -2.119 -5.126 359 2HD LYS 46 1HD LYS 46 -18.167 -0.442 -5.580 360 1HE LYS 46 2HE LYS 46 -19.743 -0.910 -7.179 361 2HE LYS 46 1HE LYS 46 -18.335 -1.531 -8.041 362 1HZ LYS 46 1HZ LYS 46 -18.862 -3.701 -6.823 363 2HZ LYS 46 2HZ LYS 46 -19.848 -3.264 -8.136 364 3HZ LYS 46 3HZ LYS 46 -20.392 -3.026 -6.545 365 H GLY 47 H GLY 47 -12.661 -2.016 -3.966 366 1HA GLY 47 2HA GLY 47 -12.394 0.214 -2.243 367 2HA GLY 47 1HA GLY 47 -11.207 -1.080 -2.387 368 H LEU 48 H LEU 48 -9.986 -0.871 -4.667 369 HA LEU 48 HA LEU 48 -8.597 1.683 -4.524 370 1HB LEU 48 2HB LEU 48 -7.681 0.643 -6.909 371 2HB LEU 48 1HB LEU 48 -6.951 0.356 -5.339 372 HG LEU 48 HG LEU 48 -8.312 -1.713 -5.111 373 1HD1 LEU 48 1HD1 LEU 48 -10.182 -1.796 -6.398 374 2HD1 LEU 48 2HD1 LEU 48 -9.114 -2.268 -7.715 375 3HD1 LEU 48 3HD1 LEU 48 -9.567 -0.577 -7.512 376 1HD2 LEU 48 1HD2 LEU 48 -6.600 -1.419 -7.595 377 2HD2 LEU 48 2HD2 LEU 48 -7.122 -2.974 -6.949 378 3HD2 LEU 48 3HD2 LEU 48 -6.072 -1.929 -5.991 379 H ASP 49 H ASP 49 -11.156 0.357 -6.500 380 HA ASP 49 HA ASP 49 -11.070 2.155 -8.700 381 1HB ASP 49 2HB ASP 49 -12.698 0.105 -8.015 382 2HB ASP 49 1HB ASP 49 -13.747 1.463 -7.608 383 H LEU 50 H LEU 50 -12.150 2.580 -5.394 384 HA LEU 50 HA LEU 50 -13.053 5.353 -6.039 385 1HB LEU 50 2HB LEU 50 -13.517 3.774 -3.492 386 2HB LEU 50 1HB LEU 50 -14.273 5.301 -3.945 387 HG LEU 50 HG LEU 50 -14.559 2.782 -5.596 388 1HD1 LEU 50 1HD1 LEU 50 -16.148 3.800 -3.249 389 2HD1 LEU 50 2HD1 LEU 50 -15.608 2.156 -3.589 390 3HD1 LEU 50 3HD1 LEU 50 -16.932 2.858 -4.518 391 1HD2 LEU 50 1HD2 LEU 50 -15.013 5.287 -6.381 392 2HD2 LEU 50 2HD2 LEU 50 -16.522 5.043 -5.500 393 3HD2 LEU 50 3HD2 LEU 50 -16.102 3.979 -6.844 394 H LEU 51 H LEU 51 -10.713 3.442 -4.250 395 HA LEU 51 HA LEU 51 -9.754 5.465 -2.470 396 1HB LEU 51 2HB LEU 51 -9.163 2.936 -2.546 397 2HB LEU 51 1HB LEU 51 -7.966 3.398 -3.755 398 HG LEU 51 HG LEU 51 -7.275 5.204 -1.984 399 1HD1 LEU 51 1HD1 LEU 51 -8.769 5.069 -0.234 400 2HD1 LEU 51 2HD1 LEU 51 -7.588 3.885 0.326 401 3HD1 LEU 51 3HD1 LEU 51 -9.062 3.347 -0.481 402 1HD2 LEU 51 1HD2 LEU 51 -5.893 3.334 -0.803 403 2HD2 LEU 51 2HD2 LEU 51 -5.669 3.577 -2.535 404 3HD2 LEU 51 3HD2 LEU 51 -6.678 2.253 -1.954 405 H ARG 52 H ARG 52 -9.139 4.775 -5.864 406 HA ARG 52 HA ARG 52 -6.852 6.427 -6.259 407 1HB ARG 52 2HB ARG 52 -8.925 5.182 -7.952 408 2HB ARG 52 1HB ARG 52 -8.217 6.644 -8.633 409 1HG ARG 52 2HG ARG 52 -6.534 5.306 -9.342 410 2HG ARG 52 1HG ARG 52 -5.997 5.304 -7.664 411 1HD ARG 52 2HD ARG 52 -6.228 3.002 -8.600 412 2HD ARG 52 1HD ARG 52 -7.279 3.279 -7.211 413 HE ARG 52 HE ARG 52 -9.129 2.994 -8.634 414 1HH1 ARG 52 1HH2 ARG 52 -6.275 3.717 -10.524 415 2HH1 ARG 52 2HH2 ARG 52 -7.089 3.472 -12.030 416 1HH2 ARG 52 1HH1 ARG 52 -10.140 2.687 -10.605 417 2HH2 ARG 52 2HH1 ARG 52 -9.252 2.894 -12.079 418 H MET 53 H MET 53 -10.226 7.226 -5.827 419 HA MET 53 HA MET 53 -9.638 10.066 -6.534 420 1HB MET 53 2HB MET 53 -12.188 10.288 -6.458 421 2HB MET 53 1HB MET 53 -11.534 9.327 -7.780 422 1HG MET 53 2HG MET 53 -12.039 7.263 -6.593 423 2HG MET 53 1HG MET 53 -12.557 8.170 -5.172 424 1HE MET 53 1HE MET 53 -14.419 6.509 -8.509 425 2HE MET 53 2HE MET 53 -12.792 7.181 -8.549 426 3HE MET 53 3HE MET 53 -14.114 8.051 -9.323 427 H LYS 54 H LYS 54 -10.350 7.940 -3.887 428 HA LYS 54 HA LYS 54 -11.300 10.076 -2.117 429 1HB LYS 54 2HB LYS 54 -12.086 7.716 -1.900 430 2HB LYS 54 1HB LYS 54 -10.447 7.243 -1.450 431 1HG LYS 54 2HG LYS 54 -11.592 7.553 0.613 432 2HG LYS 54 1HG LYS 54 -10.613 9.005 0.406 433 1HD LYS 54 2HD LYS 54 -12.627 10.117 -0.630 434 2HD LYS 54 1HD LYS 54 -13.572 8.702 -0.162 435 1HE LYS 54 2HE LYS 54 -11.900 10.141 1.884 436 2HE LYS 54 1HE LYS 54 -13.497 10.756 1.455 437 1HZ LYS 54 1HZ LYS 54 -14.436 8.597 1.992 438 2HZ LYS 54 2HZ LYS 54 -13.611 9.242 3.331 439 3HZ LYS 54 3HZ LYS 54 -12.900 8.006 2.407 440 H VAL 55 H VAL 55 -8.256 8.473 -2.856 441 HA VAL 55 HA VAL 55 -6.767 9.149 -0.540 442 HB VAL 55 HB VAL 55 -4.765 9.101 -2.049 443 1HG1 VAL 55 1HG1 VAL 55 -5.954 6.714 -3.062 444 2HG1 VAL 55 2HG1 VAL 55 -6.642 7.012 -1.468 445 3HG1 VAL 55 3HG1 VAL 55 -4.896 6.895 -1.666 446 1HG2 VAL 55 1HG2 VAL 55 -6.842 8.635 -4.214 447 2HG2 VAL 55 2HG2 VAL 55 -5.094 8.592 -4.421 448 3HG2 VAL 55 3HG2 VAL 55 -5.897 10.110 -4.025 449 H GLU 56 H GLU 56 -5.887 11.028 0.202 450 HA GLU 56 HA GLU 56 -6.559 13.521 -1.229 451 1HB GLU 56 2HB GLU 56 -5.740 12.770 1.533 452 2HB GLU 56 1HB GLU 56 -5.234 14.362 0.970 453 1HG GLU 56 2HG GLU 56 -7.320 14.932 1.756 454 2HG GLU 56 1HG GLU 56 -7.783 14.427 0.130 455 H GLU 57 H GLU 57 -4.885 15.122 -1.708 456 HA GLU 57 HA GLU 57 -2.565 13.997 -2.948 457 1HB GLU 57 2HB GLU 57 -3.557 16.752 -2.369 458 2HB GLU 57 1HB GLU 57 -1.843 16.574 -2.745 459 1HG GLU 57 2HG GLU 57 -2.528 15.242 -4.787 460 2HG GLU 57 1HG GLU 57 -4.192 15.719 -4.451 461 H GLY 58 H GLY 58 -1.134 12.922 -1.675 462 1HA GLY 58 2HA GLY 58 0.906 13.105 -0.365 463 2HA GLY 58 1HA GLY 58 0.204 14.488 0.473 464 H ASP 59 H ASP 59 -1.797 11.671 -0.059 465 HA ASP 59 HA ASP 59 -1.851 11.254 2.877 466 1HB ASP 59 2HB ASP 59 -3.831 9.858 2.448 467 2HB ASP 59 1HB ASP 59 -4.007 11.443 1.696 468 H VAL 60 H VAL 60 -2.130 8.777 3.476 469 HA VAL 60 HA VAL 60 0.017 7.292 2.023 470 HB VAL 60 HB VAL 60 0.861 6.409 4.042 471 1HG1 VAL 60 1HG1 VAL 60 1.508 8.286 5.258 472 2HG1 VAL 60 2HG1 VAL 60 -0.090 9.027 5.161 473 3HG1 VAL 60 3HG1 VAL 60 0.967 9.024 3.750 474 1HG2 VAL 60 1HG2 VAL 60 -0.849 5.546 5.332 475 2HG2 VAL 60 2HG2 VAL 60 -1.887 6.949 5.082 476 3HG2 VAL 60 3HG2 VAL 60 -0.560 7.029 6.243 477 H ILE 61 H ILE 61 -0.458 5.256 1.314 478 HA ILE 61 HA ILE 61 -3.210 4.254 1.894 479 HB ILE 61 HB ILE 61 -1.378 3.678 -0.453 480 1HG1 ILE 61 2HG1 ILE 61 -3.964 5.249 -0.412 481 2HG1 ILE 61 1HG1 ILE 61 -2.386 6.015 -0.239 482 1HG2 ILE 61 1HG2 ILE 61 -4.097 2.685 0.355 483 2HG2 ILE 61 2HG2 ILE 61 -2.742 1.785 -0.328 484 3HG2 ILE 61 3HG2 ILE 61 -3.702 2.849 -1.356 485 1HD1 ILE 61 1HD1 ILE 61 -3.012 4.174 -2.548 486 2HD1 ILE 61 2HD1 ILE 61 -1.697 5.340 -2.408 487 3HD1 ILE 61 3HD1 ILE 61 -3.356 5.902 -2.614 488 H LEU 62 H LEU 62 -2.844 2.972 3.698 489 HA LEU 62 HA LEU 62 -0.566 1.148 3.857 490 1HB LEU 62 2HB LEU 62 -2.743 2.051 5.605 491 2HB LEU 62 1HB LEU 62 -2.418 0.325 5.771 492 HG LEU 62 HG LEU 62 -0.268 2.457 5.877 493 1HD1 LEU 62 1HD1 LEU 62 -1.706 2.800 7.784 494 2HD1 LEU 62 2HD1 LEU 62 -0.279 1.930 8.348 495 3HD1 LEU 62 3HD1 LEU 62 -1.795 1.066 8.093 496 1HD2 LEU 62 1HD2 LEU 62 0.617 0.301 5.256 497 2HD2 LEU 62 2HD2 LEU 62 -0.355 -0.513 6.482 498 3HD2 LEU 62 3HD2 LEU 62 0.981 0.532 6.966 499 H VAL 63 H VAL 63 -0.629 -1.101 3.517 500 HA VAL 63 HA VAL 63 -3.211 -2.280 2.618 501 HB VAL 63 HB VAL 63 -0.604 -2.604 1.104 502 1HG1 VAL 63 1HG1 VAL 63 -3.438 -3.578 0.694 503 2HG1 VAL 63 2HG1 VAL 63 -1.962 -4.539 0.798 504 3HG1 VAL 63 3HG1 VAL 63 -2.261 -3.531 -0.619 505 1HG2 VAL 63 1HG2 VAL 63 -2.844 -0.656 0.880 506 2HG2 VAL 63 2HG2 VAL 63 -2.265 -1.361 -0.630 507 3HG2 VAL 63 3HG2 VAL 63 -1.151 -0.482 0.416 508 H LYS 64 H LYS 64 -3.106 -4.686 2.582 509 HA LYS 64 HA LYS 64 -0.969 -5.783 4.354 510 1HB LYS 64 2HB LYS 64 -2.699 -7.157 5.494 511 2HB LYS 64 1HB LYS 64 -2.961 -5.431 5.735 512 1HG LYS 64 2HG LYS 64 -5.070 -5.781 4.996 513 2HG LYS 64 1HG LYS 64 -4.368 -5.969 3.392 514 1HD LYS 64 2HD LYS 64 -3.964 -8.439 4.102 515 2HD LYS 64 1HD LYS 64 -5.152 -8.106 5.362 516 1HE LYS 64 2HE LYS 64 -6.286 -9.026 3.399 517 2HE LYS 64 1HE LYS 64 -6.750 -7.338 3.612 518 1HZ LYS 64 1HZ LYS 64 -6.026 -8.176 1.295 519 2HZ LYS 64 2HZ LYS 64 -4.450 -8.023 1.910 520 3HZ LYS 64 3HZ LYS 64 -5.474 -6.669 1.840 521 H LYS 65 H LYS 65 -1.116 -8.307 4.283 522 HA LYS 65 HA LYS 65 -1.840 -9.181 1.517 523 1HB LYS 65 2HB LYS 65 0.217 -10.636 1.589 524 2HB LYS 65 1HB LYS 65 0.563 -8.909 1.537 525 1HG LYS 65 2HG LYS 65 1.421 -8.880 3.655 526 2HG LYS 65 1HG LYS 65 0.258 -10.063 4.252 527 1HD LYS 65 2HD LYS 65 1.643 -11.672 2.620 528 2HD LYS 65 1HD LYS 65 2.913 -10.497 2.963 529 1HE LYS 65 2HE LYS 65 2.709 -10.860 5.339 530 2HE LYS 65 1HE LYS 65 1.267 -11.851 5.115 531 1HZ LYS 65 1HZ LYS 65 2.752 -13.324 3.708 532 2HZ LYS 65 2HZ LYS 65 3.006 -13.362 5.388 533 3HZ LYS 65 3HZ LYS 65 4.061 -12.486 4.385 534 H LEU 66 H LEU 66 -3.800 -9.917 2.762 535 HA LEU 66 HA LEU 66 -3.560 -12.005 4.747 536 1HB LEU 66 2HB LEU 66 -5.578 -10.549 4.473 537 2HB LEU 66 1HB LEU 66 -5.921 -11.372 2.950 538 HG LEU 66 HG LEU 66 -5.983 -13.542 4.199 539 1HD1 LEU 66 1HD1 LEU 66 -6.305 -13.263 6.725 540 2HD1 LEU 66 2HD1 LEU 66 -5.613 -11.654 6.532 541 3HD1 LEU 66 3HD1 LEU 66 -4.657 -13.080 6.126 542 1HD2 LEU 66 1HD2 LEU 66 -8.075 -12.393 3.710 543 2HD2 LEU 66 2HD2 LEU 66 -7.867 -11.346 5.115 544 3HD2 LEU 66 3HD2 LEU 66 -8.168 -13.070 5.335 545 H ASP 67 H ASP 67 -4.041 -11.969 1.230 546 HA ASP 67 HA ASP 67 -3.245 -14.835 1.174 547 1HB ASP 67 2HB ASP 67 -5.814 -13.659 0.240 548 2HB ASP 67 1HB ASP 67 -5.055 -14.835 -0.831 549 H ARG 68 H ARG 68 -4.049 -12.004 -0.863 550 HA ARG 68 HA ARG 68 -1.470 -11.858 -2.080 551 1HB ARG 68 2HB ARG 68 -2.120 -12.670 -4.375 552 2HB ARG 68 1HB ARG 68 -2.011 -13.955 -3.170 553 1HG ARG 68 2HG ARG 68 -4.509 -13.681 -2.811 554 2HG ARG 68 1HG ARG 68 -4.521 -12.633 -4.229 555 1HD ARG 68 2HD ARG 68 -5.075 -14.838 -5.003 556 2HD ARG 68 1HD ARG 68 -3.411 -14.531 -5.504 557 HE ARG 68 HE ARG 68 -2.706 -16.238 -4.040 558 1HH1 ARG 68 1HH2 ARG 68 -5.977 -15.264 -3.272 559 2HH1 ARG 68 2HH2 ARG 68 -6.197 -16.540 -2.127 560 1HH2 ARG 68 1HH1 ARG 68 -3.035 -17.877 -2.551 561 2HH2 ARG 68 2HH1 ARG 68 -4.550 -18.004 -1.722 562 H LEU 69 H LEU 69 -1.389 -9.750 -2.643 563 HA LEU 69 HA LEU 69 -3.691 -8.058 -2.790 564 1HB LEU 69 2HB LEU 69 -0.782 -7.779 -3.386 565 2HB LEU 69 1HB LEU 69 -1.865 -6.583 -4.095 566 HG LEU 69 HG LEU 69 -1.921 -7.313 -1.159 567 1HD1 LEU 69 1HD1 LEU 69 0.220 -6.115 -2.335 568 2HD1 LEU 69 2HD1 LEU 69 -0.304 -5.774 -0.688 569 3HD1 LEU 69 3HD1 LEU 69 -0.789 -4.708 -2.005 570 1HD2 LEU 69 1HD2 LEU 69 -3.496 -5.652 -0.944 571 2HD2 LEU 69 2HD2 LEU 69 -3.815 -6.072 -2.627 572 3HD2 LEU 69 3HD2 LEU 69 -2.800 -4.683 -2.242 573 H GLY 70 H GLY 70 -1.544 -9.264 -5.393 574 1HA GLY 70 2HA GLY 70 -3.402 -8.301 -7.449 575 2HA GLY 70 1HA GLY 70 -1.891 -9.162 -7.741 576 H ARG 71 H ARG 71 -3.735 -10.104 -9.305 577 HA ARG 71 HA ARG 71 -4.468 -12.717 -8.119 578 1HB ARG 71 2HB ARG 71 -6.447 -11.169 -7.873 579 2HB ARG 71 1HB ARG 71 -6.489 -11.039 -9.631 580 1HG ARG 71 2HG ARG 71 -7.972 -12.793 -9.311 581 2HG ARG 71 1HG ARG 71 -6.463 -13.687 -9.498 582 1HD ARG 71 2HD ARG 71 -6.242 -14.036 -7.171 583 2HD ARG 71 1HD ARG 71 -7.409 -12.772 -6.784 584 HE ARG 71 HE ARG 71 -9.126 -14.352 -7.073 585 1HH1 ARG 71 1HH2 ARG 71 -6.195 -15.482 -8.612 586 2HH1 ARG 71 2HH2 ARG 71 -6.872 -17.027 -8.992 587 1HH2 ARG 71 1HH1 ARG 71 -9.961 -16.363 -7.586 588 2HH2 ARG 71 2HH1 ARG 71 -8.980 -17.523 -8.419 589 H ASP 72 H ASP 72 -4.759 -10.730 -11.088 590 HA ASP 72 HA ASP 72 -3.912 -13.144 -12.642 591 1HB ASP 72 2HB ASP 72 -5.742 -10.844 -13.303 592 2HB ASP 72 1HB ASP 72 -4.959 -11.763 -14.588 593 H THR 73 H THR 73 -3.933 -9.664 -13.435 594 HA THR 73 HA THR 73 -1.033 -9.926 -14.109 595 HB THR 73 HB THR 73 -2.559 -9.399 -16.021 596 HG1 THR 73 1HG THR 73 -0.768 -8.490 -16.590 597 1HG2 THR 73 1HG2 THR 73 -3.930 -7.839 -14.256 598 2HG2 THR 73 2HG2 THR 73 -4.043 -7.665 -16.009 599 3HG2 THR 73 3HG2 THR 73 -2.964 -6.620 -15.085 600 H ALA 74 H ALA 74 -0.594 -7.086 -14.300 601 HA ALA 74 HA ALA 74 0.111 -6.453 -11.613 602 1HB ALA 74 1HB ALA 74 1.341 -5.227 -13.149 603 2HB ALA 74 2HB ALA 74 0.134 -4.024 -12.695 604 3HB ALA 74 3HB ALA 74 -0.054 -4.939 -14.191 605 H ASP 75 H ASP 75 -1.785 -6.723 -10.318 606 HA ASP 75 HA ASP 75 -4.064 -4.896 -10.857 607 1HB ASP 75 2HB ASP 75 -3.650 -7.336 -9.163 608 2HB ASP 75 1HB ASP 75 -4.922 -6.198 -8.718 609 H MET 76 H MET 76 -1.436 -5.443 -8.588 610 HA MET 76 HA MET 76 -2.427 -3.228 -6.869 611 1HB MET 76 2HB MET 76 -1.241 -5.640 -6.224 612 2HB MET 76 1HB MET 76 0.113 -4.515 -6.115 613 1HG MET 76 2HG MET 76 -2.568 -4.095 -4.762 614 2HG MET 76 1HG MET 76 -1.139 -4.749 -3.961 615 1HE MET 76 1HE MET 76 -2.870 -2.562 -3.111 616 2HE MET 76 2HE MET 76 -2.081 -0.997 -2.932 617 3HE MET 76 3HE MET 76 -1.418 -2.409 -2.112 618 H ILE 77 H ILE 77 0.318 -4.148 -8.923 619 HA ILE 77 HA ILE 77 1.926 -1.841 -8.351 620 HB ILE 77 HB ILE 77 1.827 -3.525 -10.877 621 1HG1 ILE 77 2HG1 ILE 77 4.071 -4.262 -9.482 622 2HG1 ILE 77 1HG1 ILE 77 2.947 -3.933 -8.163 623 1HG2 ILE 77 1HG2 ILE 77 4.103 -1.841 -9.793 624 2HG2 ILE 77 2HG2 ILE 77 2.981 -1.265 -11.026 625 3HG2 ILE 77 3HG2 ILE 77 4.018 -2.651 -11.357 626 1HD1 ILE 77 1HD1 ILE 77 1.580 -5.685 -8.712 627 2HD1 ILE 77 2HD1 ILE 77 3.056 -6.314 -9.441 628 3HD1 ILE 77 3HD1 ILE 77 1.858 -5.495 -10.443 629 H GLN 78 H GLN 78 -0.861 -2.336 -10.416 630 HA GLN 78 HA GLN 78 -0.509 -0.080 -12.140 631 1HB GLN 78 2HB GLN 78 -2.340 -2.080 -12.009 632 2HB GLN 78 1HB GLN 78 -3.281 -0.756 -11.322 633 1HG GLN 78 2HG GLN 78 -1.704 -0.199 -13.794 634 2HG GLN 78 1HG GLN 78 -3.176 -1.158 -13.956 635 1HE2 GLN 78 1HE2 GLN 78 -1.996 1.958 -12.594 636 2HE2 GLN 78 2HE2 GLN 78 -3.477 2.768 -12.772 637 H LEU 79 H LEU 79 -2.918 -0.220 -9.480 638 HA LEU 79 HA LEU 79 -3.137 2.586 -9.307 639 1HB LEU 79 2HB LEU 79 -4.200 2.328 -7.098 640 2HB LEU 79 1HB LEU 79 -4.875 1.244 -8.290 641 HG LEU 79 HG LEU 79 -4.629 0.211 -6.051 642 1HD1 LEU 79 1HD1 LEU 79 -4.341 -1.034 -8.329 643 2HD1 LEU 79 2HD1 LEU 79 -4.006 -1.871 -6.813 644 3HD1 LEU 79 3HD1 LEU 79 -2.677 -1.239 -7.784 645 1HD2 LEU 79 1HD2 LEU 79 -2.656 -0.050 -4.913 646 2HD2 LEU 79 2HD2 LEU 79 -2.338 1.491 -5.704 647 3HD2 LEU 79 3HD2 LEU 79 -1.681 0.001 -6.376 648 H ILE 80 H ILE 80 -0.615 0.541 -8.126 649 HA ILE 80 HA ILE 80 0.436 2.325 -6.116 650 HB ILE 80 HB ILE 80 1.610 0.062 -7.756 651 1HG1 ILE 80 2HG1 ILE 80 1.416 0.421 -4.760 652 2HG1 ILE 80 1HG1 ILE 80 0.119 -0.284 -5.717 653 1HG2 ILE 80 1HG2 ILE 80 3.670 0.301 -6.274 654 2HG2 ILE 80 2HG2 ILE 80 3.098 1.921 -5.880 655 3HG2 ILE 80 3HG2 ILE 80 3.513 1.514 -7.545 656 1HD1 ILE 80 1HD1 ILE 80 2.085 -1.770 -4.626 657 2HD1 ILE 80 2HD1 ILE 80 2.842 -1.384 -6.173 658 3HD1 ILE 80 3HD1 ILE 80 1.286 -2.214 -6.135 659 H LYS 81 H LYS 81 1.078 1.874 -9.593 660 HA LYS 81 HA LYS 81 2.987 4.021 -9.817 661 1HB LYS 81 2HB LYS 81 1.132 3.067 -12.014 662 2HB LYS 81 1HB LYS 81 2.736 3.773 -12.189 663 1HG LYS 81 2HG LYS 81 2.949 1.467 -10.486 664 2HG LYS 81 1HG LYS 81 2.042 1.012 -11.926 665 1HD LYS 81 2HD LYS 81 4.076 2.536 -12.992 666 2HD LYS 81 1HD LYS 81 4.883 1.732 -11.645 667 1HE LYS 81 2HE LYS 81 4.098 -0.454 -12.462 668 2HE LYS 81 1HE LYS 81 3.251 0.336 -13.791 669 1HZ LYS 81 1HZ LYS 81 5.438 -0.540 -14.435 670 2HZ LYS 81 2HZ LYS 81 6.179 0.502 -13.315 671 3HZ LYS 81 3HZ LYS 81 5.331 1.140 -14.642 672 H GLU 82 H GLU 82 -0.524 3.787 -10.114 673 HA GLU 82 HA GLU 82 -1.003 6.448 -11.060 674 1HB GLU 82 2HB GLU 82 -2.571 4.266 -10.647 675 2HB GLU 82 1HB GLU 82 -3.003 5.231 -9.232 676 1HG GLU 82 2HG GLU 82 -4.517 5.886 -10.968 677 2HG GLU 82 1HG GLU 82 -3.339 7.192 -10.824 678 H PHE 83 H PHE 83 -0.890 5.052 -7.779 679 HA PHE 83 HA PHE 83 -1.388 7.574 -6.440 680 1HB PHE 83 2HB PHE 83 -0.193 4.956 -5.487 681 2HB PHE 83 1HB PHE 83 -0.489 6.329 -4.423 682 HD1 PHE 83 1HD PHE 83 -3.030 7.409 -5.234 683 HD2 PHE 83 2HD PHE 83 -1.781 3.302 -5.084 684 HE1 PHE 83 1HE PHE 83 -5.390 6.698 -4.979 685 HE2 PHE 83 2HE PHE 83 -4.146 2.591 -4.836 686 HZ PHE 83 HZ PHE 83 -5.950 4.290 -4.783 687 H ASP 84 H ASP 84 1.465 5.855 -7.574 688 HA ASP 84 HA ASP 84 3.454 7.330 -6.157 689 1HB ASP 84 2HB ASP 84 3.613 5.202 -7.730 690 2HB ASP 84 1HB ASP 84 3.943 6.409 -8.970 691 H ALA 85 H ALA 85 1.776 7.955 -9.217 692 HA ALA 85 HA ALA 85 3.321 10.424 -9.669 693 1HB ALA 85 1HB ALA 85 0.880 9.715 -11.253 694 2HB ALA 85 2HB ALA 85 2.327 8.722 -11.441 695 3HB ALA 85 3HB ALA 85 2.389 10.450 -11.793 696 H GLN 86 H GLN 86 0.333 9.491 -8.161 697 HA GLN 86 HA GLN 86 -0.921 12.109 -8.418 698 1HB GLN 86 2HB GLN 86 -1.629 9.461 -7.402 699 2HB GLN 86 1HB GLN 86 -2.200 10.749 -6.345 700 1HG GLN 86 2HG GLN 86 -2.601 11.056 -9.296 701 2HG GLN 86 1HG GLN 86 -3.656 9.946 -8.418 702 1HE2 GLN 86 1HE2 GLN 86 -5.558 11.287 -8.506 703 2HE2 GLN 86 2HE2 GLN 86 -5.660 12.775 -7.694 704 H GLY 87 H GLY 87 1.723 11.196 -6.650 705 1HA GLY 87 2HA GLY 87 2.822 12.340 -4.909 706 2HA GLY 87 1HA GLY 87 1.454 13.453 -4.835 707 H VAL 88 H VAL 88 1.149 9.956 -4.598 708 HA VAL 88 HA VAL 88 0.372 10.284 -1.727 709 HB VAL 88 HB VAL 88 -0.838 8.501 -3.861 710 1HG1 VAL 88 1HG1 VAL 88 -1.231 8.580 -0.869 711 2HG1 VAL 88 2HG1 VAL 88 -0.909 7.180 -1.890 712 3HG1 VAL 88 3HG1 VAL 88 -2.482 7.972 -1.950 713 1HG2 VAL 88 1HG2 VAL 88 -1.739 10.945 -2.346 714 2HG2 VAL 88 2HG2 VAL 88 -2.910 9.833 -3.056 715 3HG2 VAL 88 3HG2 VAL 88 -1.747 10.668 -4.088 716 H SER 89 H SER 89 0.864 8.472 -0.356 717 HA SER 89 HA SER 89 3.110 6.811 -1.406 718 1HB SER 89 2HB SER 89 2.500 7.995 1.279 719 2HB SER 89 1HB SER 89 3.445 6.511 1.200 720 HG SER 89 HG SER 89 4.267 8.981 0.802 721 H ILE 90 H ILE 90 3.256 4.603 -0.339 722 HA ILE 90 HA ILE 90 0.605 3.516 0.455 723 HB ILE 90 HB ILE 90 2.356 2.169 -1.620 724 1HG1 ILE 90 2HG1 ILE 90 -0.184 3.798 -2.005 725 2HG1 ILE 90 1HG1 ILE 90 1.429 4.288 -2.514 726 1HG2 ILE 90 1HG2 ILE 90 0.324 0.784 -1.942 727 2HG2 ILE 90 2HG2 ILE 90 -0.484 1.686 -0.661 728 3HG2 ILE 90 3HG2 ILE 90 0.916 0.683 -0.284 729 1HD1 ILE 90 1HD1 ILE 90 1.559 2.339 -4.011 730 2HD1 ILE 90 2HD1 ILE 90 0.148 3.325 -4.396 731 3HD1 ILE 90 3HD1 ILE 90 -0.044 1.824 -3.490 732 H ARG 91 H ARG 91 1.172 2.923 2.503 733 HA ARG 91 HA ARG 91 3.791 1.710 3.060 734 1HB ARG 91 2HB ARG 91 1.416 2.097 4.903 735 2HB ARG 91 1HB ARG 91 3.075 1.749 5.387 736 1HG ARG 91 2HG ARG 91 3.621 3.923 4.006 737 2HG ARG 91 1HG ARG 91 1.918 4.286 4.279 738 1HD ARG 91 2HD ARG 91 2.772 5.223 6.198 739 2HD ARG 91 1HD ARG 91 2.578 3.571 6.778 740 HE ARG 91 HE ARG 91 5.151 3.798 5.579 741 1HH1 ARG 91 1HH2 ARG 91 3.376 4.939 8.367 742 2HH1 ARG 91 2HH2 ARG 91 4.799 5.100 9.334 743 1HH2 ARG 91 1HH1 ARG 91 6.968 4.021 6.866 744 2HH2 ARG 91 2HH1 ARG 91 6.812 4.585 8.496 745 H PHE 92 H PHE 92 4.142 -0.465 3.471 746 HA PHE 92 HA PHE 92 1.777 -2.271 3.144 747 1HB PHE 92 2HB PHE 92 4.647 -2.569 2.235 748 2HB PHE 92 1HB PHE 92 3.541 -3.940 2.325 749 HD1 PHE 92 1HD PHE 92 1.803 -4.255 0.704 750 HD2 PHE 92 2HD PHE 92 4.107 -0.629 0.734 751 HE1 PHE 92 1HE PHE 92 0.834 -3.620 -1.488 752 HE2 PHE 92 2HE PHE 92 3.137 0.006 -1.457 753 HZ PHE 92 HZ PHE 92 1.500 -1.489 -2.568 754 H ILE 93 H ILE 93 1.401 -3.670 4.808 755 HA ILE 93 HA ILE 93 2.796 -3.456 7.284 756 HB ILE 93 HB ILE 93 0.468 -4.254 7.111 757 1HG1 ILE 93 2HG1 ILE 93 0.668 -6.207 8.657 758 2HG1 ILE 93 1HG1 ILE 93 2.394 -6.280 8.297 759 1HG2 ILE 93 1HG2 ILE 93 -0.107 -6.363 6.170 760 2HG2 ILE 93 2HG2 ILE 93 1.580 -6.864 6.072 761 3HG2 ILE 93 3HG2 ILE 93 0.968 -5.610 4.993 762 1HD1 ILE 93 1HD1 ILE 93 1.020 -3.815 9.398 763 2HD1 ILE 93 2HD1 ILE 93 2.756 -4.088 9.236 764 3HD1 ILE 93 3HD1 ILE 93 1.823 -5.016 10.410 765 H ASP 94 H ASP 94 3.443 -5.396 4.457 766 HA ASP 94 HA ASP 94 4.923 -7.527 5.593 767 1HB ASP 94 2HB ASP 94 4.240 -7.090 3.124 768 2HB ASP 94 1HB ASP 94 5.755 -6.192 3.025 769 H ASP 95 H ASP 95 5.768 -4.157 5.176 770 HA ASP 95 HA ASP 95 8.195 -4.562 6.777 771 1HB ASP 95 2HB ASP 95 8.690 -4.907 4.210 772 2HB ASP 95 1HB ASP 95 8.601 -3.147 4.160 773 H GLY 96 H GLY 96 6.393 -2.267 4.718 774 1HA GLY 96 2HA GLY 96 5.349 -0.264 5.590 775 2HA GLY 96 1HA GLY 96 6.455 -0.321 6.964 776 H ILE 97 H ILE 97 7.639 -0.800 3.711 777 HA ILE 97 HA ILE 97 9.213 1.694 3.974 778 HB ILE 97 HB ILE 97 9.522 -0.446 1.856 779 1HG1 ILE 97 2HG1 ILE 97 10.946 -0.283 4.532 780 2HG1 ILE 97 1HG1 ILE 97 9.659 -1.428 4.163 781 1HG2 ILE 97 1HG2 ILE 97 11.942 0.463 2.084 782 2HG2 ILE 97 2HG2 ILE 97 11.198 1.821 2.930 783 3HG2 ILE 97 3HG2 ILE 97 10.756 1.475 1.257 784 1HD1 ILE 97 1HD1 ILE 97 12.212 -1.207 2.551 785 2HD1 ILE 97 2HD1 ILE 97 10.975 -2.456 2.421 786 3HD1 ILE 97 3HD1 ILE 97 11.983 -2.361 3.865 787 H SER 98 H SER 98 9.499 2.988 1.918 788 HA SER 98 HA SER 98 6.963 3.797 0.865 789 1HB SER 98 2HB SER 98 9.692 4.288 -0.360 790 2HB SER 98 1HB SER 98 8.233 5.244 -0.613 791 HG SER 98 HG SER 98 9.812 4.966 1.717 792 H THR 99 H THR 99 7.284 4.023 -1.886 793 HA THR 99 HA THR 99 6.499 1.401 -2.787 794 HB THR 99 HB THR 99 7.433 3.531 -4.688 795 HG1 THR 99 1HG THR 99 5.026 3.562 -3.191 796 1HG2 THR 99 1HG2 THR 99 4.990 1.742 -4.652 797 2HG2 THR 99 2HG2 THR 99 6.508 1.329 -5.451 798 3HG2 THR 99 3HG2 THR 99 5.570 2.715 -6.004 799 H ASP 100 H ASP 100 8.376 0.130 -2.117 800 HA ASP 100 HA ASP 100 10.806 0.543 -3.803 801 1HB ASP 100 2HB ASP 100 10.860 0.353 -1.192 802 2HB ASP 100 1HB ASP 100 10.651 -1.373 -1.489 803 H GLY 101 H GLY 101 8.391 -0.636 -4.879 804 1HA GLY 101 2HA GLY 101 9.419 -3.388 -5.439 805 2HA GLY 101 1HA GLY 101 7.697 -3.092 -5.199 806 H GLU 102 H GLU 102 9.850 -0.880 -6.900 807 HA GLU 102 HA GLU 102 8.340 -1.483 -9.414 808 1HB GLU 102 2HB GLU 102 8.886 0.880 -10.053 809 2HB GLU 102 1HB GLU 102 7.866 0.768 -8.618 810 1HG GLU 102 2HG GLU 102 9.512 1.532 -7.221 811 2HG GLU 102 1HG GLU 102 10.799 0.749 -8.139 812 H MET 103 H MET 103 9.548 -1.599 -11.362 813 HA MET 103 HA MET 103 12.441 -2.131 -10.953 814 1HB MET 103 2HB MET 103 10.591 -2.810 -13.259 815 2HB MET 103 1HB MET 103 12.304 -3.222 -13.191 816 1HG MET 103 2HG MET 103 11.611 -5.153 -12.221 817 2HG MET 103 1HG MET 103 11.413 -4.177 -10.768 818 1HE MET 103 1HE MET 103 9.280 -4.938 -14.200 819 2HE MET 103 2HE MET 103 8.391 -6.212 -13.369 820 3HE MET 103 3HE MET 103 10.152 -6.240 -13.379 821 H GLY 104 H GLY 104 10.345 -0.579 -13.412 822 1HA GLY 104 2HA GLY 104 10.676 1.414 -14.618 823 2HA GLY 104 1HA GLY 104 11.993 1.802 -13.508 824 H LYS 105 H LYS 105 11.638 -1.061 -15.588 825 HA LYS 105 HA LYS 105 13.045 -1.925 -17.252 826 1HB LYS 105 2HB LYS 105 13.132 1.029 -17.650 827 2HB LYS 105 1HB LYS 105 14.376 0.076 -18.462 828 1HG LYS 105 2HG LYS 105 12.618 -1.358 -19.454 829 2HG LYS 105 1HG LYS 105 11.383 -0.374 -18.667 830 1HD LYS 105 2HD LYS 105 12.739 1.591 -19.894 831 2HD LYS 105 1HD LYS 105 13.117 0.273 -21.003 832 1HE LYS 105 2HE LYS 105 10.514 -0.200 -20.798 833 2HE LYS 105 1HE LYS 105 10.468 1.508 -20.362 834 1HZ LYS 105 1HZ LYS 105 11.481 0.289 -22.862 835 2HZ LYS 105 2HZ LYS 105 11.851 1.886 -22.416 836 3HZ LYS 105 3HZ LYS 105 10.237 1.429 -22.681 Start of MODEL 8 1 1H MET 1 1HT MET 1 -2.657 15.465 6.614 2 HA MET 1 HA MET 1 -2.377 13.467 4.446 3 1HB MET 1 2HB MET 1 -0.324 14.427 5.517 4 2HB MET 1 1HB MET 1 -0.910 13.844 7.076 5 1HG MET 1 2HG MET 1 -1.047 11.527 5.987 6 2HG MET 1 1HG MET 1 -0.098 12.210 4.666 7 1HE MET 1 1HE MET 1 2.245 9.917 6.830 8 2HE MET 1 2HE MET 1 0.999 9.939 5.585 9 3HE MET 1 3HE MET 1 0.536 9.830 7.282 10 H ARG 2 H ARG 2 -3.430 11.555 4.719 11 HA ARG 2 HA ARG 2 -4.483 10.891 7.434 12 1HB ARG 2 2HB ARG 2 -6.103 10.208 4.995 13 2HB ARG 2 1HB ARG 2 -6.634 10.400 6.662 14 1HG ARG 2 2HG ARG 2 -5.670 12.677 4.902 15 2HG ARG 2 1HG ARG 2 -7.366 12.280 5.178 16 1HD ARG 2 2HD ARG 2 -6.229 12.405 7.747 17 2HD ARG 2 1HD ARG 2 -5.539 13.771 6.872 18 HE ARG 2 HE ARG 2 -8.271 13.557 7.755 19 1HH1 ARG 2 1HH2 ARG 2 -6.289 14.710 5.114 20 2HH1 ARG 2 2HH2 ARG 2 -7.435 15.918 4.649 21 1HH2 ARG 2 1HH1 ARG 2 -9.725 15.134 7.120 22 2HH2 ARG 2 2HH1 ARG 2 -9.359 16.158 5.771 23 H LEU 3 H LEU 3 -5.359 8.463 7.279 24 HA LEU 3 HA LEU 3 -3.300 6.901 5.763 25 1HB LEU 3 2HB LEU 3 -4.518 6.182 8.444 26 2HB LEU 3 1HB LEU 3 -3.223 5.324 7.610 27 HG LEU 3 HG LEU 3 -2.095 7.747 7.668 28 1HD1 LEU 3 1HD1 LEU 3 -4.229 7.758 9.768 29 2HD1 LEU 3 2HD1 LEU 3 -3.631 9.085 8.774 30 3HD1 LEU 3 3HD1 LEU 3 -2.681 8.514 10.145 31 1HD2 LEU 3 1HD2 LEU 3 -0.686 6.856 9.266 32 2HD2 LEU 3 2HD2 LEU 3 -1.573 5.392 8.838 33 3HD2 LEU 3 3HD2 LEU 3 -2.018 6.302 10.281 34 H PHE 4 H PHE 4 -4.478 6.096 4.063 35 HA PHE 4 HA PHE 4 -7.249 5.206 4.411 36 1HB PHE 4 2HB PHE 4 -5.320 5.141 2.078 37 2HB PHE 4 1HB PHE 4 -6.949 4.469 1.991 38 HD1 PHE 4 1HD PHE 4 -5.012 7.585 2.597 39 HD2 PHE 4 2HD PHE 4 -8.869 5.877 1.789 40 HE1 PHE 4 1HE PHE 4 -5.930 9.852 2.182 41 HE2 PHE 4 2HE PHE 4 -9.787 8.143 1.375 42 HZ PHE 4 HZ PHE 4 -8.317 10.130 1.572 43 H GLY 5 H GLY 5 -7.938 2.998 4.203 44 1HA GLY 5 2HA GLY 5 -5.758 0.991 4.608 45 2HA GLY 5 1HA GLY 5 -7.250 0.947 5.545 46 H TYR 6 H TYR 6 -5.735 0.006 2.626 47 HA TYR 6 HA TYR 6 -8.250 -0.662 1.245 48 1HB TYR 6 2HB TYR 6 -6.323 0.117 -0.079 49 2HB TYR 6 1HB TYR 6 -5.349 -1.216 0.536 50 HD1 TYR 6 1HD TYR 6 -8.832 -0.925 -0.860 51 HD2 TYR 6 2HD TYR 6 -5.000 -2.856 -1.064 52 HE1 TYR 6 1HE TYR 6 -9.662 -2.389 -2.682 53 HE2 TYR 6 2HE TYR 6 -5.832 -4.320 -2.883 54 HH TYR 6 HH TYR 6 -7.658 -4.194 -4.651 55 H ALA 7 H ALA 7 -9.219 -2.667 1.381 56 HA ALA 7 HA ALA 7 -7.605 -4.985 2.299 57 1HB ALA 7 1HB ALA 7 -9.756 -3.644 3.849 58 2HB ALA 7 2HB ALA 7 -8.369 -4.571 4.416 59 3HB ALA 7 3HB ALA 7 -9.801 -5.406 3.817 60 H ARG 8 H ARG 8 -8.059 -6.627 0.919 61 HA ARG 8 HA ARG 8 -10.789 -6.738 -0.306 62 1HB ARG 8 2HB ARG 8 -8.228 -6.793 -1.526 63 2HB ARG 8 1HB ARG 8 -8.846 -8.442 -1.635 64 1HG ARG 8 2HG ARG 8 -11.069 -6.933 -2.285 65 2HG ARG 8 1HG ARG 8 -9.757 -6.005 -3.011 66 1HD ARG 8 2HD ARG 8 -10.467 -8.906 -3.505 67 2HD ARG 8 1HD ARG 8 -10.480 -7.581 -4.666 68 HE ARG 8 HE ARG 8 -7.852 -7.664 -3.824 69 1HH1 ARG 8 1HH2 ARG 8 -10.083 -10.031 -5.111 70 2HH1 ARG 8 2HH2 ARG 8 -8.827 -10.961 -5.850 71 1HH2 ARG 8 1HH1 ARG 8 -6.261 -8.899 -4.797 72 2HH2 ARG 8 2HH1 ARG 8 -6.685 -10.329 -5.676 73 H VAL 9 H VAL 9 -11.910 -8.109 1.033 74 HA VAL 9 HA VAL 9 -10.822 -10.201 2.588 75 HB VAL 9 HB VAL 9 -13.153 -11.068 2.719 76 1HG1 VAL 9 1HG1 VAL 9 -12.265 -9.054 4.026 77 2HG1 VAL 9 2HG1 VAL 9 -14.018 -9.172 3.879 78 3HG1 VAL 9 3HG1 VAL 9 -13.123 -8.048 2.858 79 1HG2 VAL 9 1HG2 VAL 9 -13.647 -10.468 0.290 80 2HG2 VAL 9 2HG2 VAL 9 -13.828 -8.803 0.837 81 3HG2 VAL 9 3HG2 VAL 9 -14.911 -10.052 1.447 82 H SER 10 H SER 10 -10.703 -12.438 2.305 83 HA SER 10 HA SER 10 -10.890 -13.377 -0.529 84 1HB SER 10 2HB SER 10 -8.566 -13.163 0.751 85 2HB SER 10 1HB SER 10 -9.067 -14.703 1.441 86 HG SER 10 HG SER 10 -8.808 -14.028 -1.308 87 H THR 11 H THR 11 -11.223 -14.266 2.901 88 HA THR 11 HA THR 11 -12.543 -16.803 2.171 89 HB THR 11 HB THR 11 -11.025 -16.816 4.099 90 HG1 THR 11 1HG THR 11 -12.422 -18.241 4.713 91 1HG2 THR 11 1HG2 THR 11 -12.548 -14.398 4.777 92 2HG2 THR 11 2HG2 THR 11 -10.928 -14.886 5.274 93 3HG2 THR 11 3HG2 THR 11 -12.338 -15.501 6.137 94 H SER 12 H SER 12 -14.710 -17.297 3.081 95 HA SER 12 HA SER 12 -16.445 -14.865 3.037 96 1HB SER 12 2HB SER 12 -16.883 -17.728 2.216 97 2HB SER 12 1HB SER 12 -18.257 -16.701 2.618 98 HG SER 12 HG SER 12 -17.997 -16.225 0.550 99 H GLN 13 H GLN 13 -16.116 -14.449 5.319 100 HA GLN 13 HA GLN 13 -18.045 -15.764 7.021 101 1HB GLN 13 2HB GLN 13 -15.892 -17.298 6.902 102 2HB GLN 13 1HB GLN 13 -15.244 -16.111 8.035 103 1HG GLN 13 2HG GLN 13 -16.796 -16.635 9.688 104 2HG GLN 13 1HG GLN 13 -17.976 -17.249 8.527 105 1HE2 GLN 13 1HE2 GLN 13 -14.604 -18.036 9.577 106 2HE2 GLN 13 2HE2 GLN 13 -14.841 -19.717 9.558 107 H GLN 14 H GLN 14 -14.876 -14.136 7.431 108 HA GLN 14 HA GLN 14 -16.160 -11.681 8.349 109 1HB GLN 14 2HB GLN 14 -15.107 -11.753 10.619 110 2HB GLN 14 1HB GLN 14 -16.357 -12.978 10.403 111 1HG GLN 14 2HG GLN 14 -14.756 -14.713 10.113 112 2HG GLN 14 1HG GLN 14 -13.440 -13.564 9.878 113 1HE2 GLN 14 1HE2 GLN 14 -13.385 -11.905 11.944 114 2HE2 GLN 14 2HE2 GLN 14 -13.391 -12.699 13.444 115 H SER 15 H SER 15 -14.200 -12.544 6.326 116 HA SER 15 HA SER 15 -11.528 -11.920 7.056 117 1HB SER 15 2HB SER 15 -12.956 -12.457 4.645 118 2HB SER 15 1HB SER 15 -12.006 -10.999 4.389 119 HG SER 15 HG SER 15 -10.178 -12.115 5.034 120 H LEU 16 H LEU 16 -14.096 -9.784 5.772 121 HA LEU 16 HA LEU 16 -12.675 -7.379 5.563 122 1HB LEU 16 2HB LEU 16 -14.994 -7.542 4.853 123 2HB LEU 16 1HB LEU 16 -15.528 -7.822 6.505 124 HG LEU 16 HG LEU 16 -14.615 -5.545 7.105 125 1HD1 LEU 16 1HD1 LEU 16 -14.030 -4.015 5.320 126 2HD1 LEU 16 2HD1 LEU 16 -14.421 -5.228 4.102 127 3HD1 LEU 16 3HD1 LEU 16 -13.029 -5.458 5.158 128 1HD2 LEU 16 1HD2 LEU 16 -17.034 -6.208 6.099 129 2HD2 LEU 16 2HD2 LEU 16 -16.521 -5.048 4.875 130 3HD2 LEU 16 3HD2 LEU 16 -16.617 -4.560 6.567 131 H ASP 17 H ASP 17 -14.130 -8.788 8.500 132 HA ASP 17 HA ASP 17 -13.391 -6.611 10.237 133 1HB ASP 17 2HB ASP 17 -14.882 -8.921 10.520 134 2HB ASP 17 1HB ASP 17 -13.439 -9.301 11.456 135 H ILE 18 H ILE 18 -11.830 -9.637 9.280 136 HA ILE 18 HA ILE 18 -9.536 -9.372 10.992 137 HB ILE 18 HB ILE 18 -9.781 -10.856 8.353 138 1HG1 ILE 18 2HG1 ILE 18 -10.026 -12.179 11.027 139 2HG1 ILE 18 1HG1 ILE 18 -11.420 -11.287 10.422 140 1HG2 ILE 18 1HG2 ILE 18 -7.834 -10.964 10.662 141 2HG2 ILE 18 2HG2 ILE 18 -7.482 -10.767 8.946 142 3HG2 ILE 18 3HG2 ILE 18 -8.039 -12.324 9.558 143 1HD1 ILE 18 1HD1 ILE 18 -10.150 -13.031 8.411 144 2HD1 ILE 18 2HD1 ILE 18 -11.854 -12.827 8.807 145 3HD1 ILE 18 3HD1 ILE 18 -10.848 -13.896 9.779 146 H GLN 19 H GLN 19 -10.243 -8.284 7.676 147 HA GLN 19 HA GLN 19 -7.553 -7.398 7.106 148 1HB GLN 19 2HB GLN 19 -9.932 -6.035 5.878 149 2HB GLN 19 1HB GLN 19 -8.381 -6.430 5.147 150 1HG GLN 19 2HG GLN 19 -9.303 -8.928 5.738 151 2HG GLN 19 1HG GLN 19 -10.820 -8.082 5.419 152 1HE2 GLN 19 1HE2 GLN 19 -8.061 -9.516 3.913 153 2HE2 GLN 19 2HE2 GLN 19 -8.395 -9.008 2.329 154 H VAL 20 H VAL 20 -10.484 -5.598 8.111 155 HA VAL 20 HA VAL 20 -9.317 -3.045 8.354 156 HB VAL 20 HB VAL 20 -11.507 -4.355 10.009 157 1HG1 VAL 20 1HG1 VAL 20 -11.181 -2.566 11.386 158 2HG1 VAL 20 2HG1 VAL 20 -12.043 -1.689 10.123 159 3HG1 VAL 20 3HG1 VAL 20 -10.279 -1.660 10.169 160 1HG2 VAL 20 1HG2 VAL 20 -12.719 -2.523 8.432 161 2HG2 VAL 20 2HG2 VAL 20 -12.457 -4.192 7.930 162 3HG2 VAL 20 3HG2 VAL 20 -11.344 -2.930 7.405 163 H ARG 21 H ARG 21 -9.450 -5.662 10.798 164 HA ARG 21 HA ARG 21 -8.099 -4.255 12.881 165 1HB ARG 21 2HB ARG 21 -7.900 -7.224 12.290 166 2HB ARG 21 1HB ARG 21 -7.647 -6.439 13.847 167 1HG ARG 21 2HG ARG 21 -10.253 -5.783 12.668 168 2HG ARG 21 1HG ARG 21 -10.048 -7.512 12.937 169 1HD ARG 21 2HD ARG 21 -10.900 -6.772 14.995 170 2HD ARG 21 1HD ARG 21 -9.162 -6.806 15.284 171 HE ARG 21 HE ARG 21 -9.226 -4.471 15.527 172 1HH1 ARG 21 1HH2 ARG 21 -12.052 -5.559 13.775 173 2HH1 ARG 21 2HH2 ARG 21 -12.765 -3.985 13.749 174 1HH2 ARG 21 1HH1 ARG 21 -10.187 -2.451 15.471 175 2HH2 ARG 21 2HH1 ARG 21 -11.723 -2.242 14.697 176 H ALA 22 H ALA 22 -6.860 -6.252 10.212 177 HA ALA 22 HA ALA 22 -4.093 -6.109 10.932 178 1HB ALA 22 1HB ALA 22 -3.875 -6.404 8.308 179 2HB ALA 22 2HB ALA 22 -5.615 -6.672 8.406 180 3HB ALA 22 3HB ALA 22 -4.510 -7.719 9.297 181 H LEU 23 H LEU 23 -6.159 -4.031 8.924 182 HA LEU 23 HA LEU 23 -4.035 -2.243 8.115 183 1HB LEU 23 2HB LEU 23 -6.995 -1.616 8.314 184 2HB LEU 23 1HB LEU 23 -5.800 -0.799 7.311 185 HG LEU 23 HG LEU 23 -6.165 -3.751 6.955 186 1HD1 LEU 23 1HD1 LEU 23 -8.193 -1.659 6.406 187 2HD1 LEU 23 2HD1 LEU 23 -8.397 -3.399 6.617 188 3HD1 LEU 23 3HD1 LEU 23 -7.854 -2.757 5.068 189 1HD2 LEU 23 1HD2 LEU 23 -5.615 -3.125 4.629 190 2HD2 LEU 23 2HD2 LEU 23 -4.395 -2.534 5.756 191 3HD2 LEU 23 3HD2 LEU 23 -5.596 -1.425 5.097 192 H LYS 24 H LYS 24 -6.593 -2.013 10.601 193 HA LYS 24 HA LYS 24 -5.777 0.494 11.683 194 1HB LYS 24 2HB LYS 24 -7.035 -1.774 13.251 195 2HB LYS 24 1HB LYS 24 -7.152 -0.048 13.587 196 1HG LYS 24 2HG LYS 24 -8.035 -0.609 10.876 197 2HG LYS 24 1HG LYS 24 -8.918 -1.608 12.027 198 1HD LYS 24 2HD LYS 24 -8.798 0.963 13.196 199 2HD LYS 24 1HD LYS 24 -9.171 1.233 11.496 200 1HE LYS 24 2HE LYS 24 -11.286 0.529 11.801 201 2HE LYS 24 1HE LYS 24 -10.728 -0.992 12.490 202 1HZ LYS 24 1HZ LYS 24 -12.104 0.691 13.908 203 2HZ LYS 24 2HZ LYS 24 -10.591 1.424 14.145 204 3HZ LYS 24 3HZ LYS 24 -10.837 -0.193 14.605 205 H ASP 25 H ASP 25 -4.725 -2.828 12.373 206 HA ASP 25 HA ASP 25 -3.163 -2.337 14.683 207 1HB ASP 25 2HB ASP 25 -3.697 -4.569 13.428 208 2HB ASP 25 1HB ASP 25 -2.241 -4.206 12.515 209 H ALA 26 H ALA 26 -2.343 -2.154 11.242 210 HA ALA 26 HA ALA 26 0.384 -1.334 11.594 211 1HB ALA 26 1HB ALA 26 -1.379 -0.557 9.267 212 2HB ALA 26 2HB ALA 26 -0.789 -2.207 9.472 213 3HB ALA 26 3HB ALA 26 0.355 -0.880 9.262 214 H GLY 27 H GLY 27 -2.690 0.380 11.611 215 1HA GLY 27 2HA GLY 27 -2.646 2.493 12.987 216 2HA GLY 27 1HA GLY 27 -1.189 2.926 12.092 217 H VAL 28 H VAL 28 -4.251 1.534 10.888 218 HA VAL 28 HA VAL 28 -4.350 3.766 8.935 219 HB VAL 28 HB VAL 28 -4.617 1.082 8.525 220 1HG1 VAL 28 1HG1 VAL 28 -6.757 0.864 9.693 221 2HG1 VAL 28 2HG1 VAL 28 -6.989 0.614 7.964 222 3HG1 VAL 28 3HG1 VAL 28 -7.454 2.143 8.699 223 1HG2 VAL 28 1HG2 VAL 28 -4.537 3.242 6.981 224 2HG2 VAL 28 2HG2 VAL 28 -6.250 2.875 6.782 225 3HG2 VAL 28 3HG2 VAL 28 -5.034 1.677 6.338 226 H LYS 29 H LYS 29 -6.514 4.758 8.502 227 HA LYS 29 HA LYS 29 -7.844 5.401 11.046 228 1HB LYS 29 2HB LYS 29 -8.276 6.423 8.222 229 2HB LYS 29 1HB LYS 29 -9.094 7.051 9.652 230 1HG LYS 29 2HG LYS 29 -6.086 6.955 9.390 231 2HG LYS 29 1HG LYS 29 -7.042 8.356 8.917 232 1HD LYS 29 2HD LYS 29 -7.646 7.288 11.600 233 2HD LYS 29 1HD LYS 29 -6.033 7.973 11.418 234 1HE LYS 29 2HE LYS 29 -7.452 9.889 10.166 235 2HE LYS 29 1HE LYS 29 -8.687 9.314 11.285 236 1HZ LYS 29 1HZ LYS 29 -5.951 10.204 12.020 237 2HZ LYS 29 2HZ LYS 29 -7.122 9.624 13.106 238 3HZ LYS 29 3HZ LYS 29 -7.381 11.080 12.271 239 H ALA 30 H ALA 30 -9.684 4.362 11.704 240 HA ALA 30 HA ALA 30 -10.926 2.283 10.183 241 1HB ALA 30 1HB ALA 30 -12.487 2.113 11.937 242 2HB ALA 30 2HB ALA 30 -12.376 3.830 12.320 243 3HB ALA 30 3HB ALA 30 -11.047 2.750 12.733 244 H ASN 31 H ASN 31 -11.467 5.742 10.352 245 HA ASN 31 HA ASN 31 -14.038 5.710 9.019 246 1HB ASN 31 2HB ASN 31 -12.410 7.618 10.300 247 2HB ASN 31 1HB ASN 31 -12.500 8.152 8.626 248 1HD2 ASN 31 1HD2 ASN 31 -14.786 6.735 11.042 249 2HD2 ASN 31 2HD2 ASN 31 -16.046 7.815 10.697 250 H ARG 32 H ARG 32 -10.702 5.529 8.009 251 HA ARG 32 HA ARG 32 -11.556 5.851 5.166 252 1HB ARG 32 2HB ARG 32 -8.672 5.900 6.019 253 2HB ARG 32 1HB ARG 32 -9.424 6.647 4.612 254 1HG ARG 32 2HG ARG 32 -10.555 8.280 6.076 255 2HG ARG 32 1HG ARG 32 -9.819 7.527 7.490 256 1HD ARG 32 2HD ARG 32 -7.835 8.546 7.137 257 2HD ARG 32 1HD ARG 32 -7.876 8.240 5.404 258 HE ARG 32 HE ARG 32 -8.663 10.695 6.696 259 1HH1 ARG 32 1HH2 ARG 32 -9.466 8.563 4.044 260 2HH1 ARG 32 2HH2 ARG 32 -10.173 9.831 3.107 261 1HH2 ARG 32 1HH1 ARG 32 -9.585 12.306 5.449 262 2HH2 ARG 32 2HH1 ARG 32 -10.240 11.929 3.890 263 H ILE 33 H ILE 33 -12.280 3.494 6.008 264 HA ILE 33 HA ILE 33 -10.065 1.568 5.463 265 HB ILE 33 HB ILE 33 -12.809 1.166 6.705 266 1HG1 ILE 33 2HG1 ILE 33 -11.181 2.351 8.133 267 2HG1 ILE 33 1HG1 ILE 33 -11.555 0.750 8.765 268 1HG2 ILE 33 1HG2 ILE 33 -11.227 -0.736 5.370 269 2HG2 ILE 33 2HG2 ILE 33 -12.569 -1.061 6.466 270 3HG2 ILE 33 3HG2 ILE 33 -10.918 -1.010 7.083 271 1HD1 ILE 33 1HD1 ILE 33 -9.469 -0.069 7.521 272 2HD1 ILE 33 2HD1 ILE 33 -9.186 0.959 8.924 273 3HD1 ILE 33 3HD1 ILE 33 -9.060 1.634 7.300 274 H PHE 34 H PHE 34 -10.140 1.947 3.156 275 HA PHE 34 HA PHE 34 -12.643 1.483 1.709 276 1HB PHE 34 2HB PHE 34 -10.032 2.589 1.127 277 2HB PHE 34 1HB PHE 34 -10.447 1.381 -0.089 278 HD1 PHE 34 1HD PHE 34 -13.130 1.501 -0.703 279 HD2 PHE 34 2HD PHE 34 -10.659 4.762 0.596 280 HE1 PHE 34 1HE PHE 34 -14.691 3.107 -1.767 281 HE2 PHE 34 2HE PHE 34 -12.217 6.369 -0.469 282 HZ PHE 34 HZ PHE 34 -14.235 5.542 -1.651 283 H THR 35 H THR 35 -13.165 -0.659 2.331 284 HA THR 35 HA THR 35 -11.265 -2.796 1.534 285 HB THR 35 HB THR 35 -12.257 -3.003 3.765 286 HG1 THR 35 1HG THR 35 -13.468 -4.844 1.989 287 1HG2 THR 35 1HG2 THR 35 -14.968 -3.644 3.042 288 2HG2 THR 35 2HG2 THR 35 -14.587 -2.025 2.461 289 3HG2 THR 35 3HG2 THR 35 -14.392 -2.418 4.168 290 H ASP 36 H ASP 36 -11.954 -4.497 0.137 291 HA ASP 36 HA ASP 36 -14.259 -3.774 -1.630 292 1HB ASP 36 2HB ASP 36 -11.583 -5.034 -2.260 293 2HB ASP 36 1HB ASP 36 -12.946 -5.117 -3.375 294 H LYS 37 H LYS 37 -15.827 -5.079 -0.666 295 HA LYS 37 HA LYS 37 -15.389 -7.680 0.401 296 1HB LYS 37 2HB LYS 37 -17.941 -6.564 -0.798 297 2HB LYS 37 1HB LYS 37 -17.825 -7.943 0.296 298 1HG LYS 37 2HG LYS 37 -16.637 -5.318 1.135 299 2HG LYS 37 1HG LYS 37 -18.380 -5.543 1.249 300 1HD LYS 37 2HD LYS 37 -16.609 -7.697 2.348 301 2HD LYS 37 1HD LYS 37 -16.779 -6.203 3.268 302 1HE LYS 37 2HE LYS 37 -18.504 -7.645 4.064 303 2HE LYS 37 1HE LYS 37 -19.303 -6.483 3.005 304 1HZ LYS 37 1HZ LYS 37 -19.539 -8.039 1.334 305 2HZ LYS 37 2HZ LYS 37 -19.812 -8.970 2.728 306 3HZ LYS 37 3HZ LYS 37 -18.311 -9.043 1.936 307 H ALA 38 H ALA 38 -14.105 -8.825 -1.119 308 HA ALA 38 HA ALA 38 -15.048 -9.322 -3.835 309 1HB ALA 38 1HB ALA 38 -12.723 -9.400 -3.737 310 2HB ALA 38 2HB ALA 38 -13.103 -11.115 -3.584 311 3HB ALA 38 3HB ALA 38 -12.713 -10.168 -2.150 312 H SER 39 H SER 39 -17.171 -10.071 -2.456 313 HA SER 39 HA SER 39 -16.990 -13.050 -2.235 314 1HB SER 39 2HB SER 39 -19.153 -11.514 -0.846 315 2HB SER 39 1HB SER 39 -18.407 -13.045 -0.398 316 HG SER 39 HG SER 39 -17.297 -11.817 0.908 317 H GLY 40 H GLY 40 -17.519 -13.158 -4.528 318 1HA GLY 40 2HA GLY 40 -20.327 -13.436 -5.045 319 2HA GLY 40 1HA GLY 40 -19.733 -11.948 -5.786 320 H SER 41 H SER 41 -20.008 -12.749 -7.924 321 HA SER 41 HA SER 41 -18.747 -15.244 -8.763 322 1HB SER 41 2HB SER 41 -20.771 -14.369 -9.891 323 2HB SER 41 1HB SER 41 -19.860 -12.955 -10.415 324 HG SER 41 HG SER 41 -19.772 -15.591 -11.299 325 H SER 42 H SER 42 -17.983 -11.788 -8.946 326 HA SER 42 HA SER 42 -15.241 -12.544 -9.877 327 1HB SER 42 2HB SER 42 -16.500 -11.390 -11.667 328 2HB SER 42 1HB SER 42 -16.808 -10.041 -10.578 329 HG SER 42 HG SER 42 -14.283 -10.996 -11.471 330 H SER 43 H SER 43 -13.847 -10.312 -9.488 331 HA SER 43 HA SER 43 -13.898 -9.984 -6.565 332 1HB SER 43 2HB SER 43 -11.851 -8.470 -7.180 333 2HB SER 43 1HB SER 43 -11.705 -10.217 -7.348 334 HG SER 43 HG SER 43 -11.719 -8.243 -9.251 335 H ASP 44 H ASP 44 -14.836 -8.279 -5.555 336 HA ASP 44 HA ASP 44 -16.105 -6.168 -7.135 337 1HB ASP 44 2HB ASP 44 -15.896 -6.567 -4.134 338 2HB ASP 44 1HB ASP 44 -16.906 -5.358 -4.928 339 H ARG 45 H ARG 45 -13.777 -5.603 -7.929 340 HA ARG 45 HA ARG 45 -12.037 -4.146 -6.122 341 1HB ARG 45 2HB ARG 45 -11.574 -5.266 -8.485 342 2HB ARG 45 1HB ARG 45 -12.011 -3.664 -9.080 343 1HG ARG 45 2HG ARG 45 -10.326 -2.673 -7.520 344 2HG ARG 45 1HG ARG 45 -9.836 -4.307 -7.069 345 1HD ARG 45 2HD ARG 45 -9.836 -3.332 -9.932 346 2HD ARG 45 1HD ARG 45 -8.426 -3.212 -8.883 347 HE ARG 45 HE ARG 45 -9.379 -5.624 -10.162 348 1HH1 ARG 45 1HH2 ARG 45 -7.837 -4.398 -7.272 349 2HH1 ARG 45 2HH2 ARG 45 -7.036 -5.894 -6.944 350 1HH2 ARG 45 1HH1 ARG 45 -8.324 -7.541 -9.698 351 2HH2 ARG 45 2HH1 ARG 45 -7.307 -7.656 -8.301 352 H LYS 46 H LYS 46 -14.128 -2.919 -5.347 353 HA LYS 46 HA LYS 46 -14.616 -0.526 -7.056 354 1HB LYS 46 2HB LYS 46 -16.152 -1.812 -4.801 355 2HB LYS 46 1HB LYS 46 -16.478 -0.151 -5.300 356 1HG LYS 46 2HG LYS 46 -16.543 -1.220 -7.714 357 2HG LYS 46 1HG LYS 46 -16.894 -2.698 -6.818 358 1HD LYS 46 2HD LYS 46 -18.933 -1.925 -6.067 359 2HD LYS 46 1HD LYS 46 -18.416 -0.237 -6.080 360 1HE LYS 46 2HE LYS 46 -18.513 -0.190 -8.518 361 2HE LYS 46 1HE LYS 46 -18.931 -1.903 -8.560 362 1HZ LYS 46 1HZ LYS 46 -20.832 -0.273 -8.739 363 2HZ LYS 46 2HZ LYS 46 -20.564 0.089 -7.100 364 3HZ LYS 46 3HZ LYS 46 -20.996 -1.487 -7.565 365 H GLY 47 H GLY 47 -13.910 -1.432 -3.664 366 1HA GLY 47 2HA GLY 47 -13.539 1.163 -2.624 367 2HA GLY 47 1HA GLY 47 -12.704 -0.264 -2.014 368 H LEU 48 H LEU 48 -11.277 -0.894 -4.416 369 HA LEU 48 HA LEU 48 -9.031 0.936 -4.160 370 1HB LEU 48 2HB LEU 48 -8.662 -1.442 -4.589 371 2HB LEU 48 1HB LEU 48 -9.574 -1.346 -6.093 372 HG LEU 48 HG LEU 48 -7.216 0.467 -5.711 373 1HD1 LEU 48 1HD1 LEU 48 -7.179 -2.505 -5.989 374 2HD1 LEU 48 2HD1 LEU 48 -6.012 -1.436 -5.210 375 3HD1 LEU 48 3HD1 LEU 48 -6.033 -1.589 -6.968 376 1HD2 LEU 48 1HD2 LEU 48 -8.206 0.905 -7.759 377 2HD2 LEU 48 2HD2 LEU 48 -8.813 -0.742 -7.933 378 3HD2 LEU 48 3HD2 LEU 48 -7.112 -0.392 -8.244 379 H ASP 49 H ASP 49 -11.438 0.225 -6.695 380 HA ASP 49 HA ASP 49 -10.487 2.084 -8.637 381 1HB ASP 49 2HB ASP 49 -12.972 0.566 -8.137 382 2HB ASP 49 1HB ASP 49 -13.215 2.073 -9.021 383 H LEU 50 H LEU 50 -12.465 2.480 -5.760 384 HA LEU 50 HA LEU 50 -13.064 5.294 -6.413 385 1HB LEU 50 2HB LEU 50 -13.690 3.672 -3.926 386 2HB LEU 50 1HB LEU 50 -14.320 5.279 -4.299 387 HG LEU 50 HG LEU 50 -14.733 2.854 -6.068 388 1HD1 LEU 50 1HD1 LEU 50 -17.144 3.137 -5.182 389 2HD1 LEU 50 2HD1 LEU 50 -16.408 4.051 -3.866 390 3HD1 LEU 50 3HD1 LEU 50 -15.972 2.361 -4.118 391 1HD2 LEU 50 1HD2 LEU 50 -15.859 5.665 -6.043 392 2HD2 LEU 50 2HD2 LEU 50 -16.544 4.355 -7.005 393 3HD2 LEU 50 3HD2 LEU 50 -14.899 4.908 -7.313 394 H LEU 51 H LEU 51 -10.809 3.410 -4.489 395 HA LEU 51 HA LEU 51 -9.908 5.449 -2.697 396 1HB LEU 51 2HB LEU 51 -9.290 2.921 -2.755 397 2HB LEU 51 1HB LEU 51 -8.065 3.393 -3.929 398 HG LEU 51 HG LEU 51 -7.303 5.136 -2.215 399 1HD1 LEU 51 1HD1 LEU 51 -9.224 5.180 -0.758 400 2HD1 LEU 51 2HD1 LEU 51 -7.889 4.484 0.160 401 3HD1 LEU 51 3HD1 LEU 51 -9.140 3.436 -0.509 402 1HD2 LEU 51 1HD2 LEU 51 -5.782 3.623 -1.311 403 2HD2 LEU 51 2HD2 LEU 51 -6.389 2.691 -2.680 404 3HD2 LEU 51 3HD2 LEU 51 -7.011 2.383 -1.060 405 H ARG 52 H ARG 52 -9.214 4.748 -6.070 406 HA ARG 52 HA ARG 52 -6.960 6.484 -6.406 407 1HB ARG 52 2HB ARG 52 -9.043 5.345 -8.257 408 2HB ARG 52 1HB ARG 52 -7.874 6.527 -8.850 409 1HG ARG 52 2HG ARG 52 -6.149 5.048 -8.774 410 2HG ARG 52 1HG ARG 52 -6.681 4.359 -7.240 411 1HD ARG 52 2HD ARG 52 -6.921 2.619 -8.864 412 2HD ARG 52 1HD ARG 52 -8.549 3.217 -8.544 413 HE ARG 52 HE ARG 52 -8.640 4.007 -10.762 414 1HH1 ARG 52 1HH2 ARG 52 -5.332 3.319 -9.862 415 2HH1 ARG 52 2HH2 ARG 52 -4.738 3.571 -11.465 416 1HH2 ARG 52 1HH1 ARG 52 -7.828 4.323 -12.822 417 2HH2 ARG 52 2HH1 ARG 52 -6.134 4.134 -13.125 418 H MET 53 H MET 53 -10.391 7.081 -6.114 419 HA MET 53 HA MET 53 -9.965 9.936 -6.892 420 1HB MET 53 2HB MET 53 -12.644 8.576 -6.534 421 2HB MET 53 1HB MET 53 -12.294 10.079 -7.384 422 1HG MET 53 2HG MET 53 -11.219 7.382 -8.254 423 2HG MET 53 1HG MET 53 -12.701 8.092 -8.892 424 1HE MET 53 1HE MET 53 -9.884 7.070 -9.703 425 2HE MET 53 2HE MET 53 -8.604 8.265 -9.505 426 3HE MET 53 3HE MET 53 -9.348 8.034 -11.085 427 H LYS 54 H LYS 54 -9.744 8.254 -4.144 428 HA LYS 54 HA LYS 54 -11.269 10.282 -2.562 429 1HB LYS 54 2HB LYS 54 -11.475 7.470 -2.504 430 2HB LYS 54 1HB LYS 54 -10.597 7.904 -1.036 431 1HG LYS 54 2HG LYS 54 -12.975 9.564 -1.730 432 2HG LYS 54 1HG LYS 54 -13.281 7.925 -1.153 433 1HD LYS 54 2HD LYS 54 -11.893 8.365 0.840 434 2HD LYS 54 1HD LYS 54 -11.593 10.007 0.267 435 1HE LYS 54 2HE LYS 54 -13.966 10.538 0.404 436 2HE LYS 54 1HE LYS 54 -14.345 8.873 0.844 437 1HZ LYS 54 1HZ LYS 54 -13.122 9.115 2.868 438 2HZ LYS 54 2HZ LYS 54 -14.228 10.399 2.761 439 3HZ LYS 54 3HZ LYS 54 -12.583 10.661 2.426 440 H VAL 55 H VAL 55 -8.220 8.562 -2.945 441 HA VAL 55 HA VAL 55 -6.932 9.316 -0.536 442 HB VAL 55 HB VAL 55 -4.817 9.070 -1.856 443 1HG1 VAL 55 1HG1 VAL 55 -5.563 6.672 -2.723 444 2HG1 VAL 55 2HG1 VAL 55 -7.036 7.068 -1.841 445 3HG1 VAL 55 3HG1 VAL 55 -5.487 7.028 -0.999 446 1HG2 VAL 55 1HG2 VAL 55 -5.902 10.024 -3.969 447 2HG2 VAL 55 2HG2 VAL 55 -6.650 8.442 -4.179 448 3HG2 VAL 55 3HG2 VAL 55 -4.894 8.596 -4.198 449 H GLU 56 H GLU 56 -5.432 11.062 -0.116 450 HA GLU 56 HA GLU 56 -6.065 13.534 -1.676 451 1HB GLU 56 2HB GLU 56 -5.735 12.956 1.209 452 2HB GLU 56 1HB GLU 56 -4.949 14.434 0.654 453 1HG GLU 56 2HG GLU 56 -6.935 15.468 0.160 454 2HG GLU 56 1HG GLU 56 -7.716 13.963 -0.328 455 H GLU 57 H GLU 57 -4.356 14.690 -2.551 456 HA GLU 57 HA GLU 57 -1.897 13.464 -3.118 457 1HB GLU 57 2HB GLU 57 -3.098 15.821 -3.840 458 2HB GLU 57 1HB GLU 57 -1.756 16.406 -2.858 459 1HG GLU 57 2HG GLU 57 -0.244 14.875 -4.217 460 2HG GLU 57 1HG GLU 57 -1.614 14.632 -5.304 461 H GLY 58 H GLY 58 -0.714 12.615 -1.457 462 1HA GLY 58 2HA GLY 58 1.253 13.229 -0.050 463 2HA GLY 58 1HA GLY 58 0.270 14.534 0.613 464 H ASP 59 H ASP 59 -1.344 11.497 0.065 465 HA ASP 59 HA ASP 59 -1.462 11.131 3.015 466 1HB ASP 59 2HB ASP 59 -3.497 9.903 2.669 467 2HB ASP 59 1HB ASP 59 -3.598 11.348 1.671 468 H VAL 60 H VAL 60 -1.957 8.542 3.398 469 HA VAL 60 HA VAL 60 0.201 7.037 1.977 470 HB VAL 60 HB VAL 60 0.500 5.858 4.297 471 1HG1 VAL 60 1HG1 VAL 60 1.559 8.676 4.046 472 2HG1 VAL 60 2HG1 VAL 60 2.123 7.358 3.018 473 3HG1 VAL 60 3HG1 VAL 60 2.353 7.276 4.764 474 1HG2 VAL 60 1HG2 VAL 60 -1.318 6.942 5.495 475 2HG2 VAL 60 2HG2 VAL 60 -0.678 8.537 5.100 476 3HG2 VAL 60 3HG2 VAL 60 0.210 7.477 6.194 477 H ILE 61 H ILE 61 -0.586 5.196 1.128 478 HA ILE 61 HA ILE 61 -3.230 4.208 2.064 479 HB ILE 61 HB ILE 61 -1.619 3.629 -0.447 480 1HG1 ILE 61 2HG1 ILE 61 -4.312 4.909 -0.442 481 2HG1 ILE 61 1HG1 ILE 61 -2.952 5.889 0.106 482 1HG2 ILE 61 1HG2 ILE 61 -2.913 1.660 0.002 483 2HG2 ILE 61 2HG2 ILE 61 -3.816 2.579 -1.202 484 3HG2 ILE 61 3HG2 ILE 61 -4.314 2.614 0.491 485 1HD1 ILE 61 1HD1 ILE 61 -2.506 4.325 -2.375 486 2HD1 ILE 61 2HD1 ILE 61 -1.995 5.963 -1.969 487 3HD1 ILE 61 3HD1 ILE 61 -3.650 5.660 -2.499 488 H LEU 62 H LEU 62 -2.872 2.842 3.779 489 HA LEU 62 HA LEU 62 -0.574 1.039 3.874 490 1HB LEU 62 2HB LEU 62 -2.921 1.640 5.636 491 2HB LEU 62 1HB LEU 62 -2.081 0.105 5.859 492 HG LEU 62 HG LEU 62 -0.453 2.608 5.636 493 1HD1 LEU 62 1HD1 LEU 62 -1.872 1.676 8.152 494 2HD1 LEU 62 2HD1 LEU 62 -2.221 3.161 7.268 495 3HD1 LEU 62 3HD1 LEU 62 -0.664 2.959 8.071 496 1HD2 LEU 62 1HD2 LEU 62 -0.107 0.245 7.483 497 2HD2 LEU 62 2HD2 LEU 62 1.125 1.351 6.877 498 3HD2 LEU 62 3HD2 LEU 62 0.397 0.163 5.796 499 H VAL 63 H VAL 63 -0.560 -1.127 3.354 500 HA VAL 63 HA VAL 63 -3.130 -2.456 2.671 501 HB VAL 63 HB VAL 63 -0.721 -2.467 0.827 502 1HG1 VAL 63 1HG1 VAL 63 -2.520 -3.438 -0.733 503 2HG1 VAL 63 2HG1 VAL 63 -3.489 -3.675 0.721 504 3HG1 VAL 63 3HG1 VAL 63 -1.936 -4.494 0.553 505 1HG2 VAL 63 1HG2 VAL 63 -1.740 -0.264 0.764 506 2HG2 VAL 63 2HG2 VAL 63 -3.355 -0.968 0.667 507 3HG2 VAL 63 3HG2 VAL 63 -2.236 -1.141 -0.685 508 H LYS 64 H LYS 64 -2.839 -4.844 2.494 509 HA LYS 64 HA LYS 64 -0.341 -5.870 3.736 510 1HB LYS 64 2HB LYS 64 -1.693 -7.269 5.303 511 2HB LYS 64 1HB LYS 64 -1.860 -5.542 5.618 512 1HG LYS 64 2HG LYS 64 -4.092 -6.044 5.590 513 2HG LYS 64 1HG LYS 64 -3.882 -5.879 3.847 514 1HD LYS 64 2HD LYS 64 -4.796 -7.976 3.827 515 2HD LYS 64 1HD LYS 64 -3.133 -8.461 4.151 516 1HE LYS 64 2HE LYS 64 -4.637 -7.715 6.570 517 2HE LYS 64 1HE LYS 64 -5.294 -9.118 5.726 518 1HZ LYS 64 1HZ LYS 64 -2.397 -8.904 6.215 519 2HZ LYS 64 2HZ LYS 64 -3.345 -10.293 5.973 520 3HZ LYS 64 3HZ LYS 64 -3.428 -9.452 7.447 521 H LYS 65 H LYS 65 -0.470 -8.393 3.733 522 HA LYS 65 HA LYS 65 -1.740 -9.248 1.159 523 1HB LYS 65 2HB LYS 65 0.775 -9.169 1.164 524 2HB LYS 65 1HB LYS 65 0.761 -10.385 2.442 525 1HG LYS 65 2HG LYS 65 -0.846 -11.638 0.712 526 2HG LYS 65 1HG LYS 65 0.058 -10.660 -0.446 527 1HD LYS 65 2HD LYS 65 2.161 -11.507 0.845 528 2HD LYS 65 1HD LYS 65 1.082 -12.769 1.441 529 1HE LYS 65 2HE LYS 65 0.609 -13.536 -0.781 530 2HE LYS 65 1HE LYS 65 1.385 -12.126 -1.501 531 1HZ LYS 65 1HZ LYS 65 2.926 -13.879 -1.647 532 2HZ LYS 65 2HZ LYS 65 2.666 -14.361 -0.038 533 3HZ LYS 65 3HZ LYS 65 3.472 -12.903 -0.372 534 H LEU 66 H LEU 66 -3.639 -10.103 2.063 535 HA LEU 66 HA LEU 66 -3.450 -12.022 4.294 536 1HB LEU 66 2HB LEU 66 -5.339 -10.451 4.239 537 2HB LEU 66 1HB LEU 66 -5.823 -11.060 2.659 538 HG LEU 66 HG LEU 66 -6.265 -13.278 3.627 539 1HD1 LEU 66 1HD1 LEU 66 -4.717 -13.487 5.406 540 2HD1 LEU 66 2HD1 LEU 66 -6.281 -13.351 6.212 541 3HD1 LEU 66 3HD1 LEU 66 -5.210 -11.952 6.125 542 1HD2 LEU 66 1HD2 LEU 66 -8.193 -12.644 5.048 543 2HD2 LEU 66 2HD2 LEU 66 -8.078 -11.610 3.624 544 3HD2 LEU 66 3HD2 LEU 66 -7.538 -11.013 5.194 545 H ASP 67 H ASP 67 -5.225 -12.276 1.199 546 HA ASP 67 HA ASP 67 -4.239 -15.093 1.004 547 1HB ASP 67 2HB ASP 67 -6.761 -14.591 1.209 548 2HB ASP 67 1HB ASP 67 -6.643 -13.967 -0.436 549 H ARG 68 H ARG 68 -4.825 -12.105 -0.812 550 HA ARG 68 HA ARG 68 -2.566 -12.489 -2.524 551 1HB ARG 68 2HB ARG 68 -4.545 -14.165 -3.302 552 2HB ARG 68 1HB ARG 68 -5.012 -12.718 -4.198 553 1HG ARG 68 2HG ARG 68 -3.007 -12.664 -5.413 554 2HG ARG 68 1HG ARG 68 -2.153 -13.656 -4.230 555 1HD ARG 68 2HD ARG 68 -2.937 -15.616 -5.108 556 2HD ARG 68 1HD ARG 68 -4.508 -14.925 -5.514 557 HE ARG 68 HE ARG 68 -2.394 -13.854 -7.186 558 1HH1 ARG 68 1HH2 ARG 68 -4.545 -16.573 -6.728 559 2HH1 ARG 68 2HH2 ARG 68 -4.510 -17.010 -8.401 560 1HH2 ARG 68 1HH1 ARG 68 -2.377 -14.454 -9.339 561 2HH2 ARG 68 2HH1 ARG 68 -3.296 -15.825 -9.865 562 H LEU 69 H LEU 69 -2.036 -10.371 -2.695 563 HA LEU 69 HA LEU 69 -3.793 -8.176 -2.382 564 1HB LEU 69 2HB LEU 69 -1.019 -8.596 -2.983 565 2HB LEU 69 1HB LEU 69 -1.644 -7.392 -4.102 566 HG LEU 69 HG LEU 69 -1.988 -7.297 -1.096 567 1HD1 LEU 69 1HD1 LEU 69 -0.181 -5.853 -0.975 568 2HD1 LEU 69 2HD1 LEU 69 -0.351 -5.334 -2.653 569 3HD1 LEU 69 3HD1 LEU 69 0.360 -6.906 -2.282 570 1HD2 LEU 69 1HD2 LEU 69 -3.130 -5.290 -1.393 571 2HD2 LEU 69 2HD2 LEU 69 -3.670 -6.181 -2.816 572 3HD2 LEU 69 3HD2 LEU 69 -2.385 -4.981 -2.962 573 H GLY 70 H GLY 70 -2.592 -9.683 -5.399 574 1HA GLY 70 2HA GLY 70 -5.008 -8.661 -6.779 575 2HA GLY 70 1HA GLY 70 -3.444 -8.178 -7.432 576 H ARG 71 H ARG 71 -4.071 -9.343 -9.393 577 HA ARG 71 HA ARG 71 -3.702 -12.301 -9.118 578 1HB ARG 71 2HB ARG 71 -5.973 -11.076 -10.036 579 2HB ARG 71 1HB ARG 71 -5.082 -11.305 -11.541 580 1HG ARG 71 2HG ARG 71 -5.240 -13.587 -11.446 581 2HG ARG 71 1HG ARG 71 -5.111 -13.624 -9.687 582 1HD ARG 71 2HD ARG 71 -7.360 -14.314 -10.352 583 2HD ARG 71 1HD ARG 71 -7.440 -12.758 -9.526 584 HE ARG 71 HE ARG 71 -7.190 -12.170 -12.261 585 1HH1 ARG 71 1HH2 ARG 71 -9.445 -13.848 -10.179 586 2HH1 ARG 71 2HH2 ARG 71 -10.801 -13.489 -11.190 587 1HH2 ARG 71 1HH1 ARG 71 -8.972 -11.730 -13.540 588 2HH2 ARG 71 2HH1 ARG 71 -10.538 -12.303 -13.074 589 H ASP 72 H ASP 72 -3.457 -12.772 -11.921 590 HA ASP 72 HA ASP 72 -0.680 -12.253 -12.330 591 1HB ASP 72 2HB ASP 72 -2.879 -13.068 -14.248 592 2HB ASP 72 1HB ASP 72 -1.179 -12.979 -14.710 593 H THR 73 H THR 73 -3.578 -10.502 -13.315 594 HA THR 73 HA THR 73 -2.316 -8.754 -15.215 595 HB THR 73 HB THR 73 -4.733 -8.175 -13.475 596 HG1 THR 73 1HG THR 73 -5.854 -9.012 -15.318 597 1HG2 THR 73 1HG2 THR 73 -3.606 -7.000 -16.011 598 2HG2 THR 73 2HG2 THR 73 -4.121 -6.165 -14.544 599 3HG2 THR 73 3HG2 THR 73 -5.322 -6.863 -15.630 600 H ALA 74 H ALA 74 -1.937 -6.397 -14.843 601 HA ALA 74 HA ALA 74 -0.248 -5.975 -12.524 602 1HB ALA 74 1HB ALA 74 0.474 -4.762 -14.388 603 2HB ALA 74 2HB ALA 74 -0.376 -3.521 -13.466 604 3HB ALA 74 3HB ALA 74 -1.164 -4.293 -14.841 605 H ASP 75 H ASP 75 -2.200 -6.584 -11.075 606 HA ASP 75 HA ASP 75 -4.173 -4.453 -10.654 607 1HB ASP 75 2HB ASP 75 -3.603 -6.860 -8.898 608 2HB ASP 75 1HB ASP 75 -5.071 -5.884 -8.922 609 H MET 76 H MET 76 -1.098 -5.464 -9.306 610 HA MET 76 HA MET 76 -1.384 -3.400 -7.169 611 1HB MET 76 2HB MET 76 0.034 -6.003 -7.358 612 2HB MET 76 1HB MET 76 0.876 -4.721 -6.487 613 1HG MET 76 2HG MET 76 -0.515 -5.997 -4.931 614 2HG MET 76 1HG MET 76 -1.157 -4.365 -5.094 615 1HE MET 76 1HE MET 76 -4.545 -4.601 -6.156 616 2HE MET 76 2HE MET 76 -3.100 -3.673 -5.767 617 3HE MET 76 3HE MET 76 -3.830 -4.707 -4.541 618 H ILE 77 H ILE 77 -0.447 -3.277 -10.190 619 HA ILE 77 HA ILE 77 2.087 -1.807 -9.622 620 HB ILE 77 HB ILE 77 1.174 -3.151 -12.188 621 1HG1 ILE 77 2HG1 ILE 77 3.483 -4.374 -11.482 622 2HG1 ILE 77 1HG1 ILE 77 2.865 -3.972 -9.880 623 1HG2 ILE 77 1HG2 ILE 77 2.551 -1.494 -13.004 624 2HG2 ILE 77 2HG2 ILE 77 3.782 -2.679 -12.565 625 3HG2 ILE 77 3HG2 ILE 77 3.428 -1.330 -11.484 626 1HD1 ILE 77 1HD1 ILE 77 0.600 -4.930 -10.925 627 2HD1 ILE 77 2HD1 ILE 77 1.797 -5.994 -10.185 628 3HD1 ILE 77 3HD1 ILE 77 1.738 -5.818 -11.940 629 H GLN 78 H GLN 78 -1.075 -1.729 -11.169 630 HA GLN 78 HA GLN 78 -0.707 0.800 -12.516 631 1HB GLN 78 2HB GLN 78 -2.734 -1.185 -12.321 632 2HB GLN 78 1HB GLN 78 -3.468 0.329 -11.801 633 1HG GLN 78 2HG GLN 78 -1.894 -0.029 -14.367 634 2HG GLN 78 1HG GLN 78 -3.656 -0.035 -14.261 635 1HE2 GLN 78 1HE2 GLN 78 -0.796 2.025 -14.134 636 2HE2 GLN 78 2HE2 GLN 78 -1.637 3.499 -14.085 637 H LEU 79 H LEU 79 -2.974 0.164 -9.818 638 HA LEU 79 HA LEU 79 -3.019 2.887 -9.009 639 1HB LEU 79 2HB LEU 79 -4.282 2.231 -7.100 640 2HB LEU 79 1HB LEU 79 -4.761 1.168 -8.406 641 HG LEU 79 HG LEU 79 -4.571 -0.215 -6.494 642 1HD1 LEU 79 1HD1 LEU 79 -3.514 -1.211 -8.456 643 2HD1 LEU 79 2HD1 LEU 79 -2.703 -1.728 -6.979 644 3HD1 LEU 79 3HD1 LEU 79 -1.973 -0.501 -7.999 645 1HD2 LEU 79 1HD2 LEU 79 -3.051 -0.017 -4.788 646 2HD2 LEU 79 2HD2 LEU 79 -3.014 1.643 -5.383 647 3HD2 LEU 79 3HD2 LEU 79 -1.753 0.510 -5.859 648 H ILE 80 H ILE 80 -0.532 0.570 -8.517 649 HA ILE 80 HA ILE 80 0.497 1.797 -6.077 650 HB ILE 80 HB ILE 80 1.233 -0.472 -7.851 651 1HG1 ILE 80 2HG1 ILE 80 2.025 -1.246 -5.471 652 2HG1 ILE 80 1HG1 ILE 80 1.141 0.174 -4.922 653 1HG2 ILE 80 1HG2 ILE 80 3.338 1.285 -6.625 654 2HG2 ILE 80 2HG2 ILE 80 3.381 0.386 -8.142 655 3HG2 ILE 80 3HG2 ILE 80 3.571 -0.465 -6.608 656 1HD1 ILE 80 1HD1 ILE 80 0.104 -2.389 -5.732 657 2HD1 ILE 80 2HD1 ILE 80 -0.542 -1.135 -6.789 658 3HD1 ILE 80 3HD1 ILE 80 -0.762 -1.017 -5.043 659 H LYS 81 H LYS 81 0.944 2.084 -9.564 660 HA LYS 81 HA LYS 81 3.111 4.065 -9.235 661 1HB LYS 81 2HB LYS 81 2.029 2.446 -11.409 662 2HB LYS 81 1HB LYS 81 2.213 4.128 -11.901 663 1HG LYS 81 2HG LYS 81 4.369 3.515 -12.310 664 2HG LYS 81 1HG LYS 81 4.561 3.743 -10.572 665 1HD LYS 81 2HD LYS 81 5.446 1.581 -11.001 666 2HD LYS 81 1HD LYS 81 3.839 1.287 -10.338 667 1HE LYS 81 2HE LYS 81 3.042 0.452 -12.299 668 2HE LYS 81 1HE LYS 81 3.915 1.632 -13.273 669 1HZ LYS 81 1HZ LYS 81 5.249 -0.632 -11.903 670 2HZ LYS 81 2HZ LYS 81 5.896 0.390 -13.095 671 3HZ LYS 81 3HZ LYS 81 4.680 -0.726 -13.498 672 H GLU 82 H GLU 82 -0.342 3.929 -9.900 673 HA GLU 82 HA GLU 82 -0.698 6.638 -10.753 674 1HB GLU 82 2HB GLU 82 -2.349 4.474 -10.522 675 2HB GLU 82 1HB GLU 82 -2.873 5.434 -9.135 676 1HG GLU 82 2HG GLU 82 -2.475 6.861 -11.729 677 2HG GLU 82 1HG GLU 82 -3.896 5.825 -11.575 678 H PHE 83 H PHE 83 -0.942 5.125 -7.523 679 HA PHE 83 HA PHE 83 -1.481 7.610 -6.153 680 1HB PHE 83 2HB PHE 83 -0.447 4.928 -5.198 681 2HB PHE 83 1HB PHE 83 -0.753 6.275 -4.105 682 HD1 PHE 83 1HD PHE 83 -3.199 7.486 -5.154 683 HD2 PHE 83 2HD PHE 83 -2.129 3.336 -4.838 684 HE1 PHE 83 1HE PHE 83 -5.596 6.867 -5.071 685 HE2 PHE 83 2HE PHE 83 -4.536 2.724 -4.760 686 HZ PHE 83 HZ PHE 83 -6.265 4.492 -4.878 687 H ASP 84 H ASP 84 1.464 5.800 -6.924 688 HA ASP 84 HA ASP 84 3.282 7.370 -5.365 689 1HB ASP 84 2HB ASP 84 3.618 5.126 -6.737 690 2HB ASP 84 1HB ASP 84 4.107 6.236 -8.017 691 H ALA 85 H ALA 85 1.951 7.759 -8.614 692 HA ALA 85 HA ALA 85 3.584 10.135 -9.162 693 1HB ALA 85 1HB ALA 85 1.846 10.231 -11.150 694 2HB ALA 85 2HB ALA 85 1.485 8.583 -10.637 695 3HB ALA 85 3HB ALA 85 3.118 9.010 -11.143 696 H GLN 86 H GLN 86 0.585 9.488 -7.571 697 HA GLN 86 HA GLN 86 -0.484 12.178 -8.078 698 1HB GLN 86 2HB GLN 86 -1.502 9.623 -7.077 699 2HB GLN 86 1HB GLN 86 -2.050 10.988 -6.109 700 1HG GLN 86 2HG GLN 86 -2.724 12.130 -8.260 701 2HG GLN 86 1HG GLN 86 -2.379 10.616 -9.094 702 1HE2 GLN 86 1HE2 GLN 86 -4.829 12.329 -7.469 703 2HE2 GLN 86 2HE2 GLN 86 -5.894 11.034 -7.199 704 H GLY 87 H GLY 87 2.051 11.441 -6.345 705 1HA GLY 87 2HA GLY 87 3.077 12.483 -4.510 706 2HA GLY 87 1HA GLY 87 1.676 13.555 -4.415 707 H VAL 88 H VAL 88 1.366 10.066 -4.346 708 HA VAL 88 HA VAL 88 0.684 10.232 -1.436 709 HB VAL 88 HB VAL 88 -0.695 8.534 -3.540 710 1HG1 VAL 88 1HG1 VAL 88 -0.776 7.439 -1.396 711 2HG1 VAL 88 2HG1 VAL 88 -2.343 8.210 -1.642 712 3HG1 VAL 88 3HG1 VAL 88 -1.152 8.954 -0.574 713 1HG2 VAL 88 1HG2 VAL 88 -1.691 10.979 -2.042 714 2HG2 VAL 88 2HG2 VAL 88 -2.589 10.053 -3.244 715 3HG2 VAL 88 3HG2 VAL 88 -1.168 10.981 -3.727 716 H SER 89 H SER 89 1.252 8.408 -0.185 717 HA SER 89 HA SER 89 3.216 6.592 -1.505 718 1HB SER 89 2HB SER 89 3.048 7.858 1.181 719 2HB SER 89 1HB SER 89 3.690 6.218 1.126 720 HG SER 89 HG SER 89 5.165 8.132 0.787 721 H ILE 90 H ILE 90 3.270 4.341 -0.555 722 HA ILE 90 HA ILE 90 0.598 3.468 0.444 723 HB ILE 90 HB ILE 90 2.193 2.007 -1.683 724 1HG1 ILE 90 2HG1 ILE 90 -0.311 3.715 -1.933 725 2HG1 ILE 90 1HG1 ILE 90 1.282 4.137 -2.554 726 1HG2 ILE 90 1HG2 ILE 90 0.762 0.608 -0.209 727 2HG2 ILE 90 2HG2 ILE 90 0.154 0.645 -1.864 728 3HG2 ILE 90 3HG2 ILE 90 -0.624 1.619 -0.617 729 1HD1 ILE 90 1HD1 ILE 90 -0.219 3.173 -4.307 730 2HD1 ILE 90 2HD1 ILE 90 -0.280 1.674 -3.384 731 3HD1 ILE 90 3HD1 ILE 90 1.248 2.226 -4.068 732 H ARG 91 H ARG 91 1.134 2.805 2.472 733 HA ARG 91 HA ARG 91 3.712 1.562 3.065 734 1HB ARG 91 2HB ARG 91 1.220 2.057 4.709 735 2HB ARG 91 1HB ARG 91 2.659 1.274 5.359 736 1HG ARG 91 2HG ARG 91 3.799 3.446 4.216 737 2HG ARG 91 1HG ARG 91 2.220 4.116 4.618 738 1HD ARG 91 2HD ARG 91 3.194 4.484 6.650 739 2HD ARG 91 1HD ARG 91 2.776 2.794 6.924 740 HE ARG 91 HE ARG 91 5.069 2.290 6.874 741 1HH1 ARG 91 1HH2 ARG 91 4.498 5.359 5.296 742 2HH1 ARG 91 2HH2 ARG 91 6.183 5.672 5.075 743 1HH2 ARG 91 1HH1 ARG 91 7.240 2.737 6.568 744 2HH2 ARG 91 2HH1 ARG 91 7.721 4.207 5.786 745 H PHE 92 H PHE 92 4.107 -0.614 3.360 746 HA PHE 92 HA PHE 92 1.817 -2.475 2.865 747 1HB PHE 92 2HB PHE 92 4.705 -2.583 1.987 748 2HB PHE 92 1HB PHE 92 3.700 -4.032 2.032 749 HD1 PHE 92 1HD PHE 92 2.266 -4.534 0.243 750 HD2 PHE 92 2HD PHE 92 3.763 -0.532 0.700 751 HE1 PHE 92 1HE PHE 92 1.258 -3.909 -1.935 752 HE2 PHE 92 2HE PHE 92 2.754 0.092 -1.479 753 HZ PHE 92 HZ PHE 92 1.502 -1.596 -2.795 754 H ILE 93 H ILE 93 1.719 -4.348 4.166 755 HA ILE 93 HA ILE 93 2.792 -4.114 6.826 756 HB ILE 93 HB ILE 93 0.668 -5.281 6.346 757 1HG1 ILE 93 2HG1 ILE 93 2.766 -7.164 7.473 758 2HG1 ILE 93 1HG1 ILE 93 1.999 -5.861 8.380 759 1HG2 ILE 93 1HG2 ILE 93 1.818 -6.336 4.190 760 2HG2 ILE 93 2HG2 ILE 93 0.494 -7.164 5.010 761 3HG2 ILE 93 3HG2 ILE 93 2.161 -7.657 5.307 762 1HD1 ILE 93 1HD1 ILE 93 0.028 -6.994 8.597 763 2HD1 ILE 93 2HD1 ILE 93 1.052 -8.405 8.336 764 3HD1 ILE 93 3HD1 ILE 93 0.146 -7.713 6.990 765 H ASP 94 H ASP 94 3.910 -5.713 3.914 766 HA ASP 94 HA ASP 94 5.687 -7.618 4.996 767 1HB ASP 94 2HB ASP 94 5.752 -5.974 2.467 768 2HB ASP 94 1HB ASP 94 7.033 -7.127 2.843 769 H ASP 95 H ASP 95 5.937 -4.139 4.961 770 HA ASP 95 HA ASP 95 8.201 -4.172 6.743 771 1HB ASP 95 2HB ASP 95 9.299 -4.723 4.532 772 2HB ASP 95 1HB ASP 95 8.781 -3.139 3.955 773 H GLY 96 H GLY 96 6.375 -2.295 4.335 774 1HA GLY 96 2HA GLY 96 5.047 -0.426 5.555 775 2HA GLY 96 1HA GLY 96 6.639 0.100 6.097 776 H ILE 97 H ILE 97 7.341 -1.033 3.128 777 HA ILE 97 HA ILE 97 6.380 1.320 1.620 778 HB ILE 97 HB ILE 97 8.718 1.741 0.801 779 1HG1 ILE 97 2HG1 ILE 97 9.478 -0.048 3.133 780 2HG1 ILE 97 1HG1 ILE 97 9.571 -0.533 1.439 781 1HG2 ILE 97 1HG2 ILE 97 8.529 1.978 3.811 782 2HG2 ILE 97 2HG2 ILE 97 7.582 2.991 2.720 783 3HG2 ILE 97 3HG2 ILE 97 9.343 3.068 2.688 784 1HD1 ILE 97 1HD1 ILE 97 11.088 1.417 1.019 785 2HD1 ILE 97 2HD1 ILE 97 11.766 0.241 2.146 786 3HD1 ILE 97 3HD1 ILE 97 11.077 1.747 2.751 787 H SER 98 H SER 98 7.309 1.073 -0.755 788 HA SER 98 HA SER 98 7.736 -1.709 -1.590 789 1HB SER 98 2HB SER 98 5.330 -1.750 -1.436 790 2HB SER 98 1HB SER 98 5.197 -0.196 -2.252 791 HG SER 98 HG SER 98 5.759 -2.735 -3.272 792 H THR 99 H THR 99 6.288 0.990 -3.417 793 HA THR 99 HA THR 99 8.700 0.968 -5.159 794 HB THR 99 HB THR 99 6.521 0.674 -6.290 795 HG1 THR 99 1HG THR 99 7.898 1.702 -7.583 796 1HG2 THR 99 1HG2 THR 99 5.306 3.145 -6.255 797 2HG2 THR 99 2HG2 THR 99 5.819 2.961 -4.578 798 3HG2 THR 99 3HG2 THR 99 4.778 1.748 -5.320 799 H ASP 100 H ASP 100 9.055 2.144 -2.673 800 HA ASP 100 HA ASP 100 8.506 4.870 -2.348 801 1HB ASP 100 2HB ASP 100 9.671 3.415 -0.690 802 2HB ASP 100 1HB ASP 100 11.123 3.487 -1.689 803 H GLY 101 H GLY 101 10.703 3.347 -4.601 804 1HA GLY 101 2HA GLY 101 10.917 5.560 -6.310 805 2HA GLY 101 1HA GLY 101 12.304 5.649 -5.222 806 H GLU 102 H GLU 102 10.595 3.279 -7.278 807 HA GLU 102 HA GLU 102 12.723 1.403 -7.462 808 1HB GLU 102 2HB GLU 102 11.563 0.585 -9.495 809 2HB GLU 102 1HB GLU 102 10.432 0.870 -8.173 810 1HG GLU 102 2HG GLU 102 10.108 3.218 -9.198 811 2HG GLU 102 1HG GLU 102 10.898 2.560 -10.631 812 H MET 103 H MET 103 14.235 1.045 -9.220 813 HA MET 103 HA MET 103 14.742 3.361 -11.002 814 1HB MET 103 2HB MET 103 16.798 2.121 -9.150 815 2HB MET 103 1HB MET 103 17.169 3.281 -10.425 816 1HG MET 103 2HG MET 103 15.804 4.978 -9.359 817 2HG MET 103 1HG MET 103 15.230 3.821 -8.160 818 1HE MET 103 1HE MET 103 16.154 4.578 -5.748 819 2HE MET 103 2HE MET 103 17.616 3.629 -5.497 820 3HE MET 103 3HE MET 103 16.263 2.930 -6.383 821 H GLY 104 H GLY 104 15.960 0.129 -10.060 822 1HA GLY 104 2HA GLY 104 16.499 -1.730 -11.389 823 2HA GLY 104 1HA GLY 104 15.493 -1.015 -12.651 824 H LYS 105 H LYS 105 18.587 -0.139 -11.069 825 HA LYS 105 HA LYS 105 19.638 0.727 -13.696 826 1HB LYS 105 2HB LYS 105 20.642 0.959 -10.855 827 2HB LYS 105 1HB LYS 105 21.654 1.376 -12.238 828 1HG LYS 105 2HG LYS 105 19.704 2.864 -13.005 829 2HG LYS 105 1HG LYS 105 19.053 2.650 -11.379 830 1HD LYS 105 2HD LYS 105 20.321 4.549 -11.030 831 2HD LYS 105 1HD LYS 105 21.540 3.320 -10.690 832 1HE LYS 105 2HE LYS 105 22.669 3.695 -12.665 833 2HE LYS 105 1HE LYS 105 21.210 4.180 -13.528 834 1HZ LYS 105 1HZ LYS 105 22.774 6.024 -13.066 835 2HZ LYS 105 2HZ LYS 105 22.496 5.803 -11.404 836 3HZ LYS 105 3HZ LYS 105 21.224 6.274 -12.427 Start of MODEL 9 1 1H MET 1 1HT MET 1 -3.325 14.953 5.020 2 HA MET 1 HA MET 1 -1.919 13.077 4.271 3 1HB MET 1 2HB MET 1 0.093 13.950 5.570 4 2HB MET 1 1HB MET 1 -0.690 13.335 7.026 5 1HG MET 1 2HG MET 1 -0.822 11.079 5.913 6 2HG MET 1 1HG MET 1 0.154 11.732 4.597 7 1HE MET 1 1HE MET 1 1.667 9.338 7.609 8 2HE MET 1 2HE MET 1 0.058 9.567 6.927 9 3HE MET 1 3HE MET 1 0.472 10.325 8.463 10 H ARG 2 H ARG 2 -3.357 11.437 4.458 11 HA ARG 2 HA ARG 2 -4.765 11.095 7.079 12 1HB ARG 2 2HB ARG 2 -5.957 10.123 4.495 13 2HB ARG 2 1HB ARG 2 -6.769 10.571 5.990 14 1HG ARG 2 2HG ARG 2 -5.370 12.530 4.143 15 2HG ARG 2 1HG ARG 2 -7.111 12.245 4.170 16 1HD ARG 2 2HD ARG 2 -7.234 12.975 6.497 17 2HD ARG 2 1HD ARG 2 -5.482 13.162 6.558 18 HE ARG 2 HE ARG 2 -6.343 14.771 4.428 19 1HH1 ARG 2 1HH2 ARG 2 -6.898 14.562 7.875 20 2HH1 ARG 2 2HH2 ARG 2 -7.194 16.258 8.031 21 1HH2 ARG 2 1HH1 ARG 2 -6.734 16.958 4.676 22 2HH2 ARG 2 2HH1 ARG 2 -7.102 17.602 6.241 23 H LEU 3 H LEU 3 -5.312 8.868 7.632 24 HA LEU 3 HA LEU 3 -3.227 6.982 6.699 25 1HB LEU 3 2HB LEU 3 -5.276 6.677 8.917 26 2HB LEU 3 1HB LEU 3 -3.896 5.619 8.619 27 HG LEU 3 HG LEU 3 -3.388 8.547 8.974 28 1HD1 LEU 3 1HD1 LEU 3 -3.556 8.499 11.306 29 2HD1 LEU 3 2HD1 LEU 3 -3.518 6.736 11.371 30 3HD1 LEU 3 3HD1 LEU 3 -4.973 7.568 10.820 31 1HD2 LEU 3 1HD2 LEU 3 -1.270 7.774 9.757 32 2HD2 LEU 3 2HD2 LEU 3 -1.659 6.752 8.374 33 3HD2 LEU 3 3HD2 LEU 3 -1.880 6.140 10.013 34 H PHE 4 H PHE 4 -4.147 6.527 4.600 35 HA PHE 4 HA PHE 4 -6.831 5.297 4.510 36 1HB PHE 4 2HB PHE 4 -4.812 6.181 2.471 37 2HB PHE 4 1HB PHE 4 -6.052 5.017 2.005 38 HD1 PHE 4 1HD PHE 4 -8.477 5.605 2.263 39 HD2 PHE 4 2HD PHE 4 -5.345 8.482 2.860 40 HE1 PHE 4 1HE PHE 4 -10.129 7.444 2.065 41 HE2 PHE 4 2HE PHE 4 -6.996 10.322 2.662 42 HZ PHE 4 HZ PHE 4 -9.389 9.802 2.265 43 H GLY 5 H GLY 5 -7.186 3.113 4.315 44 1HA GLY 5 2HA GLY 5 -4.798 1.349 3.970 45 2HA GLY 5 1HA GLY 5 -5.986 1.023 5.231 46 H TYR 6 H TYR 6 -5.089 -0.206 2.457 47 HA TYR 6 HA TYR 6 -7.765 -0.456 1.198 48 1HB TYR 6 2HB TYR 6 -5.901 -0.021 -0.312 49 2HB TYR 6 1HB TYR 6 -4.997 -1.379 0.350 50 HD1 TYR 6 1HD TYR 6 -8.612 -1.131 -0.634 51 HD2 TYR 6 2HD TYR 6 -4.787 -2.927 -1.387 52 HE1 TYR 6 1HE TYR 6 -9.651 -2.659 -2.286 53 HE2 TYR 6 2HE TYR 6 -5.825 -4.450 -3.045 54 HH TYR 6 HH TYR 6 -7.862 -4.468 -4.499 55 H ALA 7 H ALA 7 -8.899 -2.408 1.179 56 HA ALA 7 HA ALA 7 -7.637 -4.762 2.500 57 1HB ALA 7 1HB ALA 7 -8.846 -4.179 4.356 58 2HB ALA 7 2HB ALA 7 -10.156 -4.965 3.477 59 3HB ALA 7 3HB ALA 7 -9.994 -3.210 3.431 60 H ARG 8 H ARG 8 -8.838 -6.773 2.063 61 HA ARG 8 HA ARG 8 -10.929 -6.804 0.032 62 1HB ARG 8 2HB ARG 8 -8.879 -6.436 -1.356 63 2HB ARG 8 1HB ARG 8 -8.202 -7.922 -0.693 64 1HG ARG 8 2HG ARG 8 -9.382 -9.185 -2.143 65 2HG ARG 8 1HG ARG 8 -10.892 -8.408 -1.668 66 1HD ARG 8 2HD ARG 8 -10.736 -7.844 -3.933 67 2HD ARG 8 1HD ARG 8 -10.040 -6.426 -3.151 68 HE ARG 8 HE ARG 8 -7.976 -6.980 -4.133 69 1HH1 ARG 8 1HH2 ARG 8 -10.068 -9.782 -4.105 70 2HH1 ARG 8 2HH2 ARG 8 -8.959 -10.744 -5.016 71 1HH2 ARG 8 1HH1 ARG 8 -6.570 -8.262 -5.310 72 2HH2 ARG 8 2HH1 ARG 8 -7.000 -9.897 -5.691 73 H VAL 9 H VAL 9 -12.178 -8.300 1.052 74 HA VAL 9 HA VAL 9 -11.165 -10.301 2.811 75 HB VAL 9 HB VAL 9 -13.445 -11.264 2.717 76 1HG1 VAL 9 1HG1 VAL 9 -14.414 -9.508 3.861 77 2HG1 VAL 9 2HG1 VAL 9 -13.869 -8.306 2.691 78 3HG1 VAL 9 3HG1 VAL 9 -12.733 -8.978 3.860 79 1HG2 VAL 9 1HG2 VAL 9 -13.650 -10.747 0.194 80 2HG2 VAL 9 2HG2 VAL 9 -14.109 -9.119 0.695 81 3HG2 VAL 9 3HG2 VAL 9 -15.089 -10.500 1.185 82 H SER 10 H SER 10 -11.378 -12.659 2.512 83 HA SER 10 HA SER 10 -11.423 -13.722 -0.210 84 1HB SER 10 2HB SER 10 -9.010 -12.761 0.468 85 2HB SER 10 1HB SER 10 -8.889 -14.338 1.240 86 HG SER 10 HG SER 10 -8.894 -13.657 -1.414 87 H THR 11 H THR 11 -12.755 -14.093 2.465 88 HA THR 11 HA THR 11 -12.461 -17.030 2.539 89 HB THR 11 HB THR 11 -10.923 -16.114 4.291 90 HG1 THR 11 1HG THR 11 -13.200 -17.447 5.319 91 1HG2 THR 11 1HG2 THR 11 -11.615 -14.338 5.491 92 2HG2 THR 11 2HG2 THR 11 -12.728 -15.418 6.330 93 3HG2 THR 11 3HG2 THR 11 -13.270 -14.519 4.915 94 H SER 12 H SER 12 -14.290 -18.067 3.735 95 HA SER 12 HA SER 12 -16.804 -16.863 3.003 96 1HB SER 12 2HB SER 12 -15.979 -19.308 4.535 97 2HB SER 12 1HB SER 12 -17.658 -18.782 4.603 98 HG SER 12 HG SER 12 -17.786 -18.973 2.393 99 H GLN 13 H GLN 13 -15.010 -17.128 6.046 100 HA GLN 13 HA GLN 13 -17.037 -16.138 7.792 101 1HB GLN 13 2HB GLN 13 -14.489 -17.054 8.138 102 2HB GLN 13 1HB GLN 13 -14.248 -15.324 8.381 103 1HG GLN 13 2HG GLN 13 -16.495 -15.675 9.846 104 2HG GLN 13 1HG GLN 13 -15.770 -17.273 10.028 105 1HE2 GLN 13 1HE2 GLN 13 -13.109 -16.888 10.287 106 2HE2 GLN 13 2HE2 GLN 13 -12.739 -15.811 11.546 107 H GLN 14 H GLN 14 -15.927 -13.853 9.004 108 HA GLN 14 HA GLN 14 -16.607 -11.822 6.961 109 1HB GLN 14 2HB GLN 14 -16.761 -10.272 8.884 110 2HB GLN 14 1HB GLN 14 -17.772 -11.696 9.112 111 1HG GLN 14 2HG GLN 14 -15.258 -12.400 10.179 112 2HG GLN 14 1HG GLN 14 -15.550 -10.752 10.728 113 1HE2 GLN 14 1HE2 GLN 14 -17.231 -13.937 10.523 114 2HE2 GLN 14 2HE2 GLN 14 -18.134 -13.715 11.944 115 H SER 15 H SER 15 -14.423 -12.358 5.944 116 HA SER 15 HA SER 15 -11.952 -11.697 7.191 117 1HB SER 15 2HB SER 15 -12.705 -12.644 4.717 118 2HB SER 15 1HB SER 15 -12.113 -11.039 4.334 119 HG SER 15 HG SER 15 -10.452 -12.635 4.350 120 H LEU 16 H LEU 16 -14.463 -9.659 5.849 121 HA LEU 16 HA LEU 16 -12.942 -7.298 5.374 122 1HB LEU 16 2HB LEU 16 -15.195 -7.393 4.561 123 2HB LEU 16 1HB LEU 16 -15.837 -7.730 6.164 124 HG LEU 16 HG LEU 16 -14.289 -5.213 5.939 125 1HD1 LEU 16 1HD1 LEU 16 -15.712 -5.512 3.769 126 2HD1 LEU 16 2HD1 LEU 16 -15.835 -3.995 4.660 127 3HD1 LEU 16 3HD1 LEU 16 -17.088 -5.223 4.833 128 1HD2 LEU 16 1HD2 LEU 16 -16.515 -4.491 7.132 129 2HD2 LEU 16 2HD2 LEU 16 -15.366 -5.511 7.997 130 3HD2 LEU 16 3HD2 LEU 16 -16.796 -6.227 7.254 131 H ASP 17 H ASP 17 -14.591 -8.454 8.320 132 HA ASP 17 HA ASP 17 -13.829 -6.205 9.952 133 1HB ASP 17 2HB ASP 17 -15.536 -8.274 10.308 134 2HB ASP 17 1HB ASP 17 -14.160 -8.869 11.235 135 H ILE 18 H ILE 18 -12.417 -9.415 9.395 136 HA ILE 18 HA ILE 18 -10.224 -9.121 11.224 137 HB ILE 18 HB ILE 18 -10.365 -10.800 8.697 138 1HG1 ILE 18 2HG1 ILE 18 -10.858 -11.970 11.389 139 2HG1 ILE 18 1HG1 ILE 18 -12.141 -10.948 10.741 140 1HG2 ILE 18 1HG2 ILE 18 -8.856 -12.240 10.337 141 2HG2 ILE 18 2HG2 ILE 18 -8.526 -10.667 11.060 142 3HG2 ILE 18 3HG2 ILE 18 -8.147 -10.954 9.362 143 1HD1 ILE 18 1HD1 ILE 18 -11.969 -13.568 10.161 144 2HD1 ILE 18 2HD1 ILE 18 -10.941 -12.935 8.876 145 3HD1 ILE 18 3HD1 ILE 18 -12.611 -12.392 9.016 146 H GLN 19 H GLN 19 -10.678 -8.270 7.815 147 HA GLN 19 HA GLN 19 -7.922 -7.553 7.322 148 1HB GLN 19 2HB GLN 19 -10.538 -7.004 5.947 149 2HB GLN 19 1HB GLN 19 -9.098 -6.114 5.460 150 1HG GLN 19 2HG GLN 19 -8.795 -9.057 5.767 151 2HG GLN 19 1HG GLN 19 -9.752 -8.504 4.392 152 1HE2 GLN 19 1HE2 GLN 19 -6.515 -8.331 5.872 153 2HE2 GLN 19 2HE2 GLN 19 -5.725 -7.771 4.478 154 H VAL 20 H VAL 20 -10.839 -5.597 8.023 155 HA VAL 20 HA VAL 20 -9.676 -3.042 8.142 156 HB VAL 20 HB VAL 20 -11.824 -4.162 9.971 157 1HG1 VAL 20 1HG1 VAL 20 -10.693 -1.459 9.527 158 2HG1 VAL 20 2HG1 VAL 20 -11.504 -2.122 10.945 159 3HG1 VAL 20 3HG1 VAL 20 -12.455 -1.552 9.572 160 1HG2 VAL 20 1HG2 VAL 20 -11.906 -4.095 7.247 161 2HG2 VAL 20 2HG2 VAL 20 -12.521 -2.488 7.627 162 3HG2 VAL 20 3HG2 VAL 20 -13.330 -3.915 8.270 163 H ARG 21 H ARG 21 -9.965 -5.430 10.775 164 HA ARG 21 HA ARG 21 -8.594 -3.938 12.785 165 1HB ARG 21 2HB ARG 21 -8.482 -6.949 12.435 166 2HB ARG 21 1HB ARG 21 -8.311 -6.044 13.937 167 1HG ARG 21 2HG ARG 21 -10.821 -5.407 12.577 168 2HG ARG 21 1HG ARG 21 -10.682 -7.131 12.915 169 1HD ARG 21 2HD ARG 21 -11.549 -6.444 14.935 170 2HD ARG 21 1HD ARG 21 -9.836 -6.205 15.280 171 HE ARG 21 HE ARG 21 -10.221 -3.881 15.305 172 1HH1 ARG 21 1HH2 ARG 21 -12.875 -5.520 13.724 173 2HH1 ARG 21 2HH2 ARG 21 -13.824 -4.080 13.603 174 1HH2 ARG 21 1HH1 ARG 21 -11.484 -2.042 15.126 175 2HH2 ARG 21 2HH1 ARG 21 -13.048 -2.132 14.387 176 H ALA 22 H ALA 22 -7.464 -5.885 10.088 177 HA ALA 22 HA ALA 22 -4.688 -5.990 10.887 178 1HB ALA 22 1HB ALA 22 -5.973 -7.395 9.085 179 2HB ALA 22 2HB ALA 22 -4.294 -6.949 8.777 180 3HB ALA 22 3HB ALA 22 -5.602 -6.042 8.016 181 H LEU 23 H LEU 23 -6.647 -3.768 8.927 182 HA LEU 23 HA LEU 23 -4.385 -2.133 8.119 183 1HB LEU 23 2HB LEU 23 -7.198 -1.062 8.282 184 2HB LEU 23 1HB LEU 23 -5.940 -0.680 7.113 185 HG LEU 23 HG LEU 23 -7.588 -3.220 7.273 186 1HD1 LEU 23 1HD1 LEU 23 -8.853 -1.729 6.050 187 2HD1 LEU 23 2HD1 LEU 23 -7.846 -2.395 4.763 188 3HD1 LEU 23 3HD1 LEU 23 -7.443 -0.835 5.482 189 1HD2 LEU 23 1HD2 LEU 23 -5.580 -4.155 6.580 190 2HD2 LEU 23 2HD2 LEU 23 -4.995 -2.639 5.893 191 3HD2 LEU 23 3HD2 LEU 23 -6.198 -3.595 5.025 192 H LYS 24 H LYS 24 -6.872 -1.910 10.658 193 HA LYS 24 HA LYS 24 -6.007 0.593 11.745 194 1HB LYS 24 2HB LYS 24 -7.931 -1.443 12.396 195 2HB LYS 24 1HB LYS 24 -7.017 -1.065 13.855 196 1HG LYS 24 2HG LYS 24 -8.591 0.604 14.007 197 2HG LYS 24 1HG LYS 24 -7.431 1.440 12.973 198 1HD LYS 24 2HD LYS 24 -9.563 1.699 11.916 199 2HD LYS 24 1HD LYS 24 -8.703 0.473 10.984 200 1HE LYS 24 2HE LYS 24 -11.086 -0.142 11.503 201 2HE LYS 24 1HE LYS 24 -9.907 -1.309 12.101 202 1HZ LYS 24 1HZ LYS 24 -10.217 -0.660 14.260 203 2HZ LYS 24 2HZ LYS 24 -11.786 -0.439 13.646 204 3HZ LYS 24 3HZ LYS 24 -10.753 0.895 13.847 205 H ASP 25 H ASP 25 -5.093 -2.765 12.495 206 HA ASP 25 HA ASP 25 -3.331 -2.202 14.658 207 1HB ASP 25 2HB ASP 25 -4.200 -4.473 13.599 208 2HB ASP 25 1HB ASP 25 -2.703 -4.361 12.684 209 H ALA 26 H ALA 26 -2.960 -2.134 11.175 210 HA ALA 26 HA ALA 26 -0.103 -1.735 11.124 211 1HB ALA 26 1HB ALA 26 -0.745 -2.351 9.023 212 2HB ALA 26 2HB ALA 26 -1.040 -0.628 8.795 213 3HB ALA 26 3HB ALA 26 -2.369 -1.700 9.230 214 H GLY 27 H GLY 27 -2.920 0.362 11.388 215 1HA GLY 27 2HA GLY 27 -2.448 2.523 12.634 216 2HA GLY 27 1HA GLY 27 -1.090 2.731 11.522 217 H VAL 28 H VAL 28 -4.377 1.577 10.876 218 HA VAL 28 HA VAL 28 -4.681 3.810 8.916 219 HB VAL 28 HB VAL 28 -5.828 0.998 8.859 220 1HG1 VAL 28 1HG1 VAL 28 -5.879 2.911 6.550 221 2HG1 VAL 28 2HG1 VAL 28 -7.120 3.046 7.793 222 3HG1 VAL 28 3HG1 VAL 28 -6.939 1.546 6.888 223 1HG2 VAL 28 1HG2 VAL 28 -3.429 1.054 8.382 224 2HG2 VAL 28 2HG2 VAL 28 -3.672 2.349 7.210 225 3HG2 VAL 28 3HG2 VAL 28 -4.326 0.741 6.896 226 H LYS 29 H LYS 29 -6.643 4.932 8.917 227 HA LYS 29 HA LYS 29 -8.161 4.893 11.399 228 1HB LYS 29 2HB LYS 29 -7.686 6.768 9.404 229 2HB LYS 29 1HB LYS 29 -9.374 6.342 9.145 230 1HG LYS 29 2HG LYS 29 -9.841 7.809 10.802 231 2HG LYS 29 1HG LYS 29 -9.229 6.575 11.903 232 1HD LYS 29 2HD LYS 29 -7.126 7.594 12.081 233 2HD LYS 29 1HD LYS 29 -7.322 8.484 10.572 234 1HE LYS 29 2HE LYS 29 -9.333 9.617 11.831 235 2HE LYS 29 1HE LYS 29 -8.486 9.071 13.277 236 1HZ LYS 29 1HZ LYS 29 -7.859 11.334 12.524 237 2HZ LYS 29 2HZ LYS 29 -7.210 10.647 11.112 238 3HZ LYS 29 3HZ LYS 29 -6.549 10.261 12.628 239 H ALA 30 H ALA 30 -10.183 3.986 11.755 240 HA ALA 30 HA ALA 30 -11.078 1.855 10.054 241 1HB ALA 30 1HB ALA 30 -12.820 3.311 12.053 242 2HB ALA 30 2HB ALA 30 -11.563 2.182 12.557 243 3HB ALA 30 3HB ALA 30 -12.906 1.618 11.566 244 H ASN 31 H ASN 31 -11.929 5.257 10.310 245 HA ASN 31 HA ASN 31 -14.253 5.155 8.615 246 1HB ASN 31 2HB ASN 31 -12.913 7.094 10.139 247 2HB ASN 31 1HB ASN 31 -12.764 7.663 8.480 248 1HD2 ASN 31 1HD2 ASN 31 -15.311 6.210 10.591 249 2HD2 ASN 31 2HD2 ASN 31 -16.555 7.216 10.030 250 H ARG 32 H ARG 32 -10.806 5.193 8.033 251 HA ARG 32 HA ARG 32 -11.277 5.616 5.118 252 1HB ARG 32 2HB ARG 32 -8.912 5.995 6.938 253 2HB ARG 32 1HB ARG 32 -8.645 5.711 5.218 254 1HG ARG 32 2HG ARG 32 -9.183 7.842 4.735 255 2HG ARG 32 1HG ARG 32 -10.742 7.670 5.538 256 1HD ARG 32 2HD ARG 32 -9.275 7.902 7.731 257 2HD ARG 32 1HD ARG 32 -8.148 8.698 6.632 258 HE ARG 32 HE ARG 32 -10.679 9.782 7.560 259 1HH1 ARG 32 1HH2 ARG 32 -8.393 9.751 4.913 260 2HH1 ARG 32 2HH2 ARG 32 -8.883 11.309 4.341 261 1HH2 ARG 32 1HH1 ARG 32 -11.279 11.794 6.786 262 2HH2 ARG 32 2HH1 ARG 32 -10.498 12.454 5.388 263 H ILE 33 H ILE 33 -12.178 3.222 5.711 264 HA ILE 33 HA ILE 33 -9.935 1.314 5.180 265 HB ILE 33 HB ILE 33 -12.612 0.803 6.519 266 1HG1 ILE 33 2HG1 ILE 33 -10.984 2.065 7.908 267 2HG1 ILE 33 1HG1 ILE 33 -11.269 0.449 8.544 268 1HG2 ILE 33 1HG2 ILE 33 -10.578 -0.980 5.356 269 2HG2 ILE 33 2HG2 ILE 33 -12.250 -1.320 5.799 270 3HG2 ILE 33 3HG2 ILE 33 -10.986 -1.367 7.028 271 1HD1 ILE 33 1HD1 ILE 33 -9.131 0.174 6.722 272 2HD1 ILE 33 2HD1 ILE 33 -9.041 0.109 8.482 273 3HD1 ILE 33 3HD1 ILE 33 -8.787 1.639 7.643 274 H PHE 34 H PHE 34 -10.063 1.544 2.891 275 HA PHE 34 HA PHE 34 -12.652 1.064 1.559 276 1HB PHE 34 2HB PHE 34 -9.936 1.960 0.717 277 2HB PHE 34 1HB PHE 34 -10.921 1.132 -0.489 278 HD1 PHE 34 1HD PHE 34 -13.013 2.089 -1.293 279 HD2 PHE 34 2HD PHE 34 -10.656 4.095 1.685 280 HE1 PHE 34 1HE PHE 34 -14.343 4.155 -1.631 281 HE2 PHE 34 2HE PHE 34 -11.985 6.162 1.346 282 HZ PHE 34 HZ PHE 34 -13.829 6.191 -0.312 283 H THR 35 H THR 35 -12.753 -1.134 2.585 284 HA THR 35 HA THR 35 -10.892 -3.173 1.641 285 HB THR 35 HB THR 35 -11.979 -3.431 3.818 286 HG1 THR 35 1HG THR 35 -12.854 -5.530 3.445 287 1HG2 THR 35 1HG2 THR 35 -14.237 -2.439 2.493 288 2HG2 THR 35 2HG2 THR 35 -14.171 -3.024 4.154 289 3HG2 THR 35 3HG2 THR 35 -14.636 -4.116 2.852 290 H ASP 36 H ASP 36 -11.991 -5.215 0.598 291 HA ASP 36 HA ASP 36 -13.905 -4.336 -1.524 292 1HB ASP 36 2HB ASP 36 -11.215 -5.570 -1.777 293 2HB ASP 36 1HB ASP 36 -12.468 -6.241 -2.819 294 H LYS 37 H LYS 37 -15.739 -5.483 -1.130 295 HA LYS 37 HA LYS 37 -15.745 -7.991 0.323 296 1HB LYS 37 2HB LYS 37 -17.967 -6.797 -1.366 297 2HB LYS 37 1HB LYS 37 -18.142 -8.003 -0.093 298 1HG LYS 37 2HG LYS 37 -16.968 -5.260 0.414 299 2HG LYS 37 1HG LYS 37 -18.688 -5.603 0.579 300 1HD LYS 37 2HD LYS 37 -16.528 -7.157 2.028 301 2HD LYS 37 1HD LYS 37 -17.385 -5.787 2.732 302 1HE LYS 37 2HE LYS 37 -18.591 -8.405 1.803 303 2HE LYS 37 1HE LYS 37 -18.502 -7.803 3.457 304 1HZ LYS 37 1HZ LYS 37 -20.153 -6.800 1.222 305 2HZ LYS 37 2HZ LYS 37 -19.814 -5.828 2.575 306 3HZ LYS 37 3HZ LYS 37 -20.650 -7.296 2.767 307 H ALA 38 H ALA 38 -14.064 -8.895 -1.289 308 HA ALA 38 HA ALA 38 -14.803 -9.632 -3.947 309 1HB ALA 38 1HB ALA 38 -12.485 -9.733 -2.725 310 2HB ALA 38 2HB ALA 38 -12.855 -10.928 -3.968 311 3HB ALA 38 3HB ALA 38 -13.004 -11.354 -2.263 312 H SER 39 H SER 39 -15.528 -11.059 -0.827 313 HA SER 39 HA SER 39 -16.573 -13.531 -2.052 314 1HB SER 39 2HB SER 39 -15.371 -13.238 0.283 315 2HB SER 39 1HB SER 39 -16.988 -12.802 0.830 316 HG SER 39 HG SER 39 -15.965 -15.234 0.028 317 H GLY 40 H GLY 40 -18.106 -11.997 -3.311 318 1HA GLY 40 2HA GLY 40 -20.660 -11.841 -1.790 319 2HA GLY 40 1HA GLY 40 -20.133 -10.443 -2.727 320 H SER 41 H SER 41 -21.791 -10.504 -4.274 321 HA SER 41 HA SER 41 -22.681 -12.875 -5.618 322 1HB SER 41 2HB SER 41 -23.614 -10.357 -5.537 323 2HB SER 41 1HB SER 41 -22.740 -10.265 -7.063 324 HG SER 41 HG SER 41 -23.893 -12.232 -7.639 325 H SER 42 H SER 42 -20.012 -10.660 -6.177 326 HA SER 42 HA SER 42 -18.754 -12.561 -8.001 327 1HB SER 42 2HB SER 42 -20.432 -11.109 -9.374 328 2HB SER 42 1HB SER 42 -19.258 -9.818 -9.141 329 HG SER 42 HG SER 42 -18.926 -12.323 -10.417 330 H SER 43 H SER 43 -16.739 -11.136 -9.038 331 HA SER 43 HA SER 43 -15.070 -10.514 -6.798 332 1HB SER 43 2HB SER 43 -13.724 -9.335 -8.792 333 2HB SER 43 1HB SER 43 -13.782 -11.088 -8.620 334 HG SER 43 HG SER 43 -14.333 -10.240 -10.747 335 H ASP 44 H ASP 44 -14.811 -8.629 -5.688 336 HA ASP 44 HA ASP 44 -16.118 -6.179 -6.807 337 1HB ASP 44 2HB ASP 44 -15.869 -7.201 -3.977 338 2HB ASP 44 1HB ASP 44 -16.205 -5.502 -4.314 339 H ARG 45 H ARG 45 -14.083 -5.632 -7.867 340 HA ARG 45 HA ARG 45 -11.831 -4.972 -6.040 341 1HB ARG 45 2HB ARG 45 -12.098 -5.552 -8.948 342 2HB ARG 45 1HB ARG 45 -10.859 -4.383 -8.487 343 1HG ARG 45 2HG ARG 45 -9.590 -5.947 -7.398 344 2HG ARG 45 1HG ARG 45 -10.997 -6.852 -6.842 345 1HD ARG 45 2HD ARG 45 -10.899 -7.023 -9.704 346 2HD ARG 45 1HD ARG 45 -9.308 -7.432 -9.065 347 HE ARG 45 HE ARG 45 -11.475 -8.752 -7.632 348 1HH1 ARG 45 1HH2 ARG 45 -9.354 -8.903 -10.411 349 2HH1 ARG 45 2HH2 ARG 45 -9.493 -10.621 -10.547 350 1HH2 ARG 45 1HH1 ARG 45 -11.625 -10.972 -7.847 351 2HH2 ARG 45 2HH1 ARG 45 -10.765 -11.783 -9.113 352 H LYS 46 H LYS 46 -14.158 -3.354 -5.861 353 HA LYS 46 HA LYS 46 -13.612 -0.898 -7.402 354 1HB LYS 46 2HB LYS 46 -15.644 -1.319 -5.195 355 2HB LYS 46 1HB LYS 46 -15.633 -0.034 -6.400 356 1HG LYS 46 2HG LYS 46 -15.682 -2.021 -8.118 357 2HG LYS 46 1HG LYS 46 -16.298 -2.942 -6.746 358 1HD LYS 46 2HD LYS 46 -17.530 -0.277 -7.270 359 2HD LYS 46 1HD LYS 46 -17.936 -1.593 -8.374 360 1HE LYS 46 2HE LYS 46 -18.076 -1.951 -5.381 361 2HE LYS 46 1HE LYS 46 -19.436 -1.300 -6.296 362 1HZ LYS 46 1HZ LYS 46 -18.097 -3.858 -6.967 363 2HZ LYS 46 2HZ LYS 46 -19.562 -3.262 -7.587 364 3HZ LYS 46 3HZ LYS 46 -19.462 -3.759 -5.964 365 H GLY 47 H GLY 47 -12.015 -2.167 -4.889 366 1HA GLY 47 2HA GLY 47 -12.079 -0.122 -2.883 367 2HA GLY 47 1HA GLY 47 -10.778 -1.288 -3.111 368 H LEU 48 H LEU 48 -9.763 -0.707 -5.541 369 HA LEU 48 HA LEU 48 -8.397 1.800 -5.063 370 1HB LEU 48 2HB LEU 48 -8.046 0.763 -7.791 371 2HB LEU 48 1HB LEU 48 -6.854 1.154 -6.577 372 HG LEU 48 HG LEU 48 -6.536 -1.123 -6.992 373 1HD1 LEU 48 1HD1 LEU 48 -8.290 -1.819 -4.775 374 2HD1 LEU 48 2HD1 LEU 48 -7.375 -0.342 -4.470 375 3HD1 LEU 48 3HD1 LEU 48 -6.529 -1.837 -4.870 376 1HD2 LEU 48 1HD2 LEU 48 -9.424 -1.111 -7.468 377 2HD2 LEU 48 2HD2 LEU 48 -8.867 -2.548 -6.612 378 3HD2 LEU 48 3HD2 LEU 48 -8.167 -2.127 -8.174 379 H ASP 49 H ASP 49 -10.991 0.698 -7.154 380 HA ASP 49 HA ASP 49 -11.144 2.914 -8.924 381 1HB ASP 49 2HB ASP 49 -13.333 1.154 -7.786 382 2HB ASP 49 1HB ASP 49 -13.579 2.304 -9.100 383 H LEU 50 H LEU 50 -12.169 2.552 -5.584 384 HA LEU 50 HA LEU 50 -13.387 5.276 -5.650 385 1HB LEU 50 2HB LEU 50 -13.459 3.245 -3.397 386 2HB LEU 50 1HB LEU 50 -14.437 4.705 -3.547 387 HG LEU 50 HG LEU 50 -14.526 2.527 -5.638 388 1HD1 LEU 50 1HD1 LEU 50 -15.255 1.268 -3.829 389 2HD1 LEU 50 2HD1 LEU 50 -16.770 2.023 -4.326 390 3HD1 LEU 50 3HD1 LEU 50 -15.863 2.677 -2.960 391 1HD2 LEU 50 1HD2 LEU 50 -16.807 4.300 -4.871 392 2HD2 LEU 50 2HD2 LEU 50 -16.361 3.670 -6.457 393 3HD2 LEU 50 3HD2 LEU 50 -15.470 5.025 -5.764 394 H LEU 51 H LEU 51 -10.840 3.341 -4.156 395 HA LEU 51 HA LEU 51 -9.968 5.318 -2.253 396 1HB LEU 51 2HB LEU 51 -9.364 2.832 -2.289 397 2HB LEU 51 1HB LEU 51 -8.219 3.224 -3.572 398 HG LEU 51 HG LEU 51 -7.356 5.043 -1.918 399 1HD1 LEU 51 1HD1 LEU 51 -7.827 4.758 0.366 400 2HD1 LEU 51 2HD1 LEU 51 -8.419 3.114 0.133 401 3HD1 LEU 51 3HD1 LEU 51 -9.396 4.486 -0.388 402 1HD2 LEU 51 1HD2 LEU 51 -6.890 2.105 -1.975 403 2HD2 LEU 51 2HD2 LEU 51 -6.195 2.977 -0.610 404 3HD2 LEU 51 3HD2 LEU 51 -5.759 3.428 -2.257 405 H ARG 52 H ARG 52 -9.022 4.560 -5.595 406 HA ARG 52 HA ARG 52 -6.852 6.364 -5.851 407 1HB ARG 52 2HB ARG 52 -8.862 5.283 -7.823 408 2HB ARG 52 1HB ARG 52 -7.597 6.406 -8.325 409 1HG ARG 52 2HG ARG 52 -5.873 4.902 -7.799 410 2HG ARG 52 1HG ARG 52 -6.897 3.959 -6.718 411 1HD ARG 52 2HD ARG 52 -6.454 2.815 -8.903 412 2HD ARG 52 1HD ARG 52 -8.168 3.086 -8.594 413 HE ARG 52 HE ARG 52 -7.211 5.322 -10.042 414 1HH1 ARG 52 1HH2 ARG 52 -7.682 1.886 -10.496 415 2HH1 ARG 52 2HH2 ARG 52 -7.922 2.044 -12.201 416 1HH2 ARG 52 1HH1 ARG 52 -7.530 5.481 -12.249 417 2HH2 ARG 52 2HH1 ARG 52 -7.837 4.055 -13.185 418 H MET 53 H MET 53 -10.294 6.955 -5.755 419 HA MET 53 HA MET 53 -9.832 9.794 -6.514 420 1HB MET 53 2HB MET 53 -12.167 9.931 -7.038 421 2HB MET 53 1HB MET 53 -11.576 8.432 -7.746 422 1HG MET 53 2HG MET 53 -12.504 7.140 -5.898 423 2HG MET 53 1HG MET 53 -12.983 8.617 -5.061 424 1HE MET 53 1HE MET 53 -15.173 8.936 -4.804 425 2HE MET 53 2HE MET 53 -16.345 9.272 -6.076 426 3HE MET 53 3HE MET 53 -14.907 10.279 -5.924 427 H LYS 54 H LYS 54 -9.935 7.985 -3.729 428 HA LYS 54 HA LYS 54 -11.282 10.157 -2.184 429 1HB LYS 54 2HB LYS 54 -11.785 7.484 -2.074 430 2HB LYS 54 1HB LYS 54 -10.564 7.629 -0.811 431 1HG LYS 54 2HG LYS 54 -13.020 9.396 -0.988 432 2HG LYS 54 1HG LYS 54 -12.921 7.950 0.016 433 1HD LYS 54 2HD LYS 54 -10.777 9.026 0.995 434 2HD LYS 54 1HD LYS 54 -11.371 10.523 0.274 435 1HE LYS 54 2HE LYS 54 -13.239 10.610 1.662 436 2HE LYS 54 1HE LYS 54 -13.231 8.870 1.951 437 1HZ LYS 54 1HZ LYS 54 -11.187 9.154 3.239 438 2HZ LYS 54 2HZ LYS 54 -12.476 10.044 3.899 439 3HZ LYS 54 3HZ LYS 54 -11.266 10.832 3.003 440 H VAL 55 H VAL 55 -8.263 8.466 -2.682 441 HA VAL 55 HA VAL 55 -6.903 9.137 -0.280 442 HB VAL 55 HB VAL 55 -4.824 8.970 -1.695 443 1HG1 VAL 55 1HG1 VAL 55 -6.371 6.634 -2.589 444 2HG1 VAL 55 2HG1 VAL 55 -6.572 7.000 -0.877 445 3HG1 VAL 55 3HG1 VAL 55 -4.963 6.713 -1.534 446 1HG2 VAL 55 1HG2 VAL 55 -4.948 8.647 -4.020 447 2HG2 VAL 55 2HG2 VAL 55 -6.154 9.901 -3.736 448 3HG2 VAL 55 3HG2 VAL 55 -6.660 8.228 -3.963 449 H GLU 56 H GLU 56 -5.253 10.834 0.020 450 HA GLU 56 HA GLU 56 -5.976 13.361 -1.412 451 1HB GLU 56 2HB GLU 56 -6.296 12.923 1.241 452 2HB GLU 56 1HB GLU 56 -4.629 13.498 1.236 453 1HG GLU 56 2HG GLU 56 -5.661 15.545 1.326 454 2HG GLU 56 1HG GLU 56 -5.721 15.323 -0.423 455 H GLU 57 H GLU 57 -4.298 14.436 -2.416 456 HA GLU 57 HA GLU 57 -1.842 13.186 -2.974 457 1HB GLU 57 2HB GLU 57 -1.050 15.447 -3.683 458 2HB GLU 57 1HB GLU 57 -2.651 15.057 -4.312 459 1HG GLU 57 2HG GLU 57 -3.381 16.225 -1.998 460 2HG GLU 57 1HG GLU 57 -1.858 17.071 -2.270 461 H GLY 58 H GLY 58 -0.586 12.454 -1.327 462 1HA GLY 58 2HA GLY 58 1.382 13.133 0.029 463 2HA GLY 58 1HA GLY 58 0.417 14.485 0.623 464 H ASP 59 H ASP 59 -1.150 11.387 0.259 465 HA ASP 59 HA ASP 59 -1.319 11.218 3.226 466 1HB ASP 59 2HB ASP 59 -3.320 9.913 2.914 467 2HB ASP 59 1HB ASP 59 -3.433 11.306 1.852 468 H VAL 60 H VAL 60 -2.017 8.502 3.413 469 HA VAL 60 HA VAL 60 0.363 7.090 2.354 470 HB VAL 60 HB VAL 60 0.582 8.108 4.769 471 1HG1 VAL 60 1HG1 VAL 60 -0.219 6.792 6.575 472 2HG1 VAL 60 2HG1 VAL 60 -0.713 5.479 5.505 473 3HG1 VAL 60 3HG1 VAL 60 -1.610 6.999 5.509 474 1HG2 VAL 60 1HG2 VAL 60 1.986 6.368 3.434 475 2HG2 VAL 60 2HG2 VAL 60 1.279 5.207 4.557 476 3HG2 VAL 60 3HG2 VAL 60 2.247 6.551 5.167 477 H ILE 61 H ILE 61 -0.261 5.206 1.453 478 HA ILE 61 HA ILE 61 -2.915 4.075 2.228 479 HB ILE 61 HB ILE 61 -1.282 3.639 -0.291 480 1HG1 ILE 61 2HG1 ILE 61 -3.835 5.232 0.018 481 2HG1 ILE 61 1HG1 ILE 61 -2.241 5.977 0.131 482 1HG2 ILE 61 1HG2 ILE 61 -2.917 2.219 -1.024 483 2HG2 ILE 61 2HG2 ILE 61 -4.197 3.091 -0.181 484 3HG2 ILE 61 3HG2 ILE 61 -3.167 1.966 0.702 485 1HD1 ILE 61 1HD1 ILE 61 -1.870 4.634 -2.151 486 2HD1 ILE 61 2HD1 ILE 61 -2.599 6.239 -2.131 487 3HD1 ILE 61 3HD1 ILE 61 -3.623 4.808 -2.241 488 H LEU 62 H LEU 62 -2.315 2.716 3.938 489 HA LEU 62 HA LEU 62 -0.029 0.891 3.668 490 1HB LEU 62 2HB LEU 62 -1.048 1.987 5.846 491 2HB LEU 62 1HB LEU 62 -2.137 0.601 5.789 492 HG LEU 62 HG LEU 62 0.729 -0.029 5.367 493 1HD1 LEU 62 1HD1 LEU 62 1.008 -0.011 7.936 494 2HD1 LEU 62 2HD1 LEU 62 -0.340 1.125 7.942 495 3HD1 LEU 62 3HD1 LEU 62 1.151 1.532 7.094 496 1HD2 LEU 62 1HD2 LEU 62 -0.016 -1.785 7.137 497 2HD2 LEU 62 2HD2 LEU 62 -0.714 -1.887 5.523 498 3HD2 LEU 62 3HD2 LEU 62 -1.642 -1.171 6.839 499 H VAL 63 H VAL 63 -0.177 -1.081 2.709 500 HA VAL 63 HA VAL 63 -2.905 -2.250 2.331 501 HB VAL 63 HB VAL 63 -0.426 -2.750 0.659 502 1HG1 VAL 63 1HG1 VAL 63 -2.090 -4.571 0.646 503 2HG1 VAL 63 2HG1 VAL 63 -2.055 -3.743 -0.910 504 3HG1 VAL 63 3HG1 VAL 63 -3.356 -3.415 0.235 505 1HG2 VAL 63 1HG2 VAL 63 -1.363 -0.379 0.580 506 2HG2 VAL 63 2HG2 VAL 63 -2.847 -1.079 -0.065 507 3HG2 VAL 63 3HG2 VAL 63 -1.336 -1.232 -0.963 508 H LYS 64 H LYS 64 -3.078 -4.574 2.520 509 HA LYS 64 HA LYS 64 -0.886 -5.805 4.142 510 1HB LYS 64 2HB LYS 64 -3.069 -5.267 5.362 511 2HB LYS 64 1HB LYS 64 -3.821 -6.507 4.356 512 1HG LYS 64 2HG LYS 64 -1.290 -7.308 5.676 513 2HG LYS 64 1HG LYS 64 -2.653 -7.025 6.760 514 1HD LYS 64 2HD LYS 64 -3.883 -8.466 4.814 515 2HD LYS 64 1HD LYS 64 -2.261 -9.152 4.732 516 1HE LYS 64 2HE LYS 64 -3.690 -8.803 7.368 517 2HE LYS 64 1HE LYS 64 -3.919 -10.246 6.379 518 1HZ LYS 64 1HZ LYS 64 -1.258 -9.243 7.215 519 2HZ LYS 64 2HZ LYS 64 -1.618 -10.737 6.490 520 3HZ LYS 64 3HZ LYS 64 -2.126 -10.414 8.080 521 H LYS 65 H LYS 65 -0.559 -8.093 3.797 522 HA LYS 65 HA LYS 65 -1.374 -8.952 1.070 523 1HB LYS 65 2HB LYS 65 0.881 -9.645 2.923 524 2HB LYS 65 1HB LYS 65 0.387 -10.824 1.707 525 1HG LYS 65 2HG LYS 65 0.498 -8.796 0.060 526 2HG LYS 65 1HG LYS 65 1.501 -8.057 1.310 527 1HD LYS 65 2HD LYS 65 2.977 -10.067 1.266 528 2HD LYS 65 1HD LYS 65 2.010 -10.714 -0.060 529 1HE LYS 65 2HE LYS 65 2.793 -9.155 -1.579 530 2HE LYS 65 1HE LYS 65 3.090 -7.940 -0.336 531 1HZ LYS 65 1HZ LYS 65 4.971 -9.231 0.439 532 2HZ LYS 65 2HZ LYS 65 5.153 -8.851 -1.207 533 3HZ LYS 65 3HZ LYS 65 4.680 -10.415 -0.740 534 H LEU 66 H LEU 66 -3.583 -9.434 1.906 535 HA LEU 66 HA LEU 66 -3.856 -11.678 3.784 536 1HB LEU 66 2HB LEU 66 -5.502 -9.794 3.717 537 2HB LEU 66 1HB LEU 66 -5.967 -10.302 2.093 538 HG LEU 66 HG LEU 66 -6.560 -12.551 3.017 539 1HD1 LEU 66 1HD1 LEU 66 -5.296 -12.787 4.983 540 2HD1 LEU 66 2HD1 LEU 66 -6.914 -12.461 5.603 541 3HD1 LEU 66 3HD1 LEU 66 -5.710 -11.173 5.556 542 1HD2 LEU 66 1HD2 LEU 66 -8.090 -10.375 2.900 543 2HD2 LEU 66 2HD2 LEU 66 -8.072 -10.551 4.656 544 3HD2 LEU 66 3HD2 LEU 66 -8.684 -11.860 3.645 545 H ASP 67 H ASP 67 -4.365 -11.079 0.309 546 HA ASP 67 HA ASP 67 -4.235 -14.035 -0.108 547 1HB ASP 67 2HB ASP 67 -6.591 -12.944 -0.314 548 2HB ASP 67 1HB ASP 67 -5.974 -12.270 -1.823 549 H ARG 68 H ARG 68 -4.411 -11.075 -2.125 550 HA ARG 68 HA ARG 68 -1.701 -11.181 -3.019 551 1HB ARG 68 2HB ARG 68 -2.120 -12.030 -5.345 552 2HB ARG 68 1HB ARG 68 -2.313 -13.271 -4.106 553 1HG ARG 68 2HG ARG 68 -4.790 -12.744 -4.100 554 2HG ARG 68 1HG ARG 68 -4.506 -11.733 -5.518 555 1HD ARG 68 2HD ARG 68 -3.909 -13.563 -6.863 556 2HD ARG 68 1HD ARG 68 -3.548 -14.587 -5.472 557 HE ARG 68 HE ARG 68 -6.252 -14.059 -5.213 558 1HH1 ARG 68 1HH2 ARG 68 -4.232 -15.347 -7.761 559 2HH1 ARG 68 2HH2 ARG 68 -5.503 -16.324 -8.410 560 1HH2 ARG 68 1HH1 ARG 68 -7.865 -15.337 -6.085 561 2HH2 ARG 68 2HH1 ARG 68 -7.537 -16.319 -7.472 562 H LEU 69 H LEU 69 -1.330 -9.145 -3.740 563 HA LEU 69 HA LEU 69 -3.434 -7.243 -4.148 564 1HB LEU 69 2HB LEU 69 -0.479 -7.286 -4.423 565 2HB LEU 69 1HB LEU 69 -1.316 -6.082 -5.403 566 HG LEU 69 HG LEU 69 -1.932 -6.426 -2.468 567 1HD1 LEU 69 1HD1 LEU 69 -0.250 -4.917 -1.865 568 2HD1 LEU 69 2HD1 LEU 69 -0.068 -4.310 -3.510 569 3HD1 LEU 69 3HD1 LEU 69 0.563 -5.899 -3.083 570 1HD2 LEU 69 1HD2 LEU 69 -2.553 -3.972 -2.827 571 2HD2 LEU 69 2HD2 LEU 69 -3.577 -5.148 -3.650 572 3HD2 LEU 69 3HD2 LEU 69 -2.343 -4.270 -4.553 573 H GLY 70 H GLY 70 -1.078 -8.457 -6.558 574 1HA GLY 70 2HA GLY 70 -3.264 -8.628 -8.558 575 2HA GLY 70 1HA GLY 70 -1.895 -7.578 -8.931 576 H ARG 71 H ARG 71 -3.056 -10.759 -9.094 577 HA ARG 71 HA ARG 71 -0.305 -11.852 -9.492 578 1HB ARG 71 2HB ARG 71 -2.200 -12.892 -7.921 579 2HB ARG 71 1HB ARG 71 -2.711 -13.624 -9.442 580 1HG ARG 71 2HG ARG 71 -0.065 -14.102 -9.609 581 2HG ARG 71 1HG ARG 71 -0.236 -14.088 -7.853 582 1HD ARG 71 2HD ARG 71 -2.410 -15.594 -8.613 583 2HD ARG 71 1HD ARG 71 -1.206 -16.059 -9.817 584 HE ARG 71 HE ARG 71 -0.115 -16.080 -7.127 585 1HH1 ARG 71 1HH2 ARG 71 -2.006 -17.896 -9.441 586 2HH1 ARG 71 2HH2 ARG 71 -1.614 -19.418 -8.720 587 1HH2 ARG 71 1HH1 ARG 71 0.368 -18.073 -6.226 588 2HH2 ARG 71 2HH1 ARG 71 -0.285 -19.519 -6.920 589 H ASP 72 H ASP 72 -3.410 -11.299 -11.041 590 HA ASP 72 HA ASP 72 -3.003 -12.908 -13.372 591 1HB ASP 72 2HB ASP 72 -4.661 -10.447 -12.814 592 2HB ASP 72 1HB ASP 72 -4.619 -11.182 -14.417 593 H THR 73 H THR 73 -2.893 -9.333 -13.333 594 HA THR 73 HA THR 73 -0.434 -9.486 -15.015 595 HB THR 73 HB THR 73 -2.490 -9.096 -16.422 596 HG1 THR 73 1HG THR 73 -1.431 -7.659 -17.624 597 1HG2 THR 73 1HG2 THR 73 -3.431 -7.560 -14.447 598 2HG2 THR 73 2HG2 THR 73 -3.889 -7.284 -16.128 599 3HG2 THR 73 3HG2 THR 73 -2.628 -6.300 -15.383 600 H ALA 74 H ALA 74 -0.279 -6.616 -15.331 601 HA ALA 74 HA ALA 74 1.000 -5.915 -12.839 602 1HB ALA 74 1HB ALA 74 0.385 -4.482 -15.411 603 2HB ALA 74 2HB ALA 74 1.955 -4.897 -14.721 604 3HB ALA 74 3HB ALA 74 1.005 -3.583 -14.026 605 H ASP 75 H ASP 75 -1.220 -6.454 -11.695 606 HA ASP 75 HA ASP 75 -3.063 -4.130 -11.693 607 1HB ASP 75 2HB ASP 75 -3.181 -6.797 -10.248 608 2HB ASP 75 1HB ASP 75 -4.427 -5.551 -10.165 609 H MET 76 H MET 76 -0.886 -5.919 -9.530 610 HA MET 76 HA MET 76 -1.343 -4.315 -7.199 611 1HB MET 76 2HB MET 76 -0.213 -6.534 -7.164 612 2HB MET 76 1HB MET 76 1.166 -5.825 -8.000 613 1HG MET 76 2HG MET 76 0.271 -4.403 -5.552 614 2HG MET 76 1HG MET 76 0.990 -5.992 -5.294 615 1HE MET 76 1HE MET 76 3.278 -6.716 -6.510 616 2HE MET 76 2HE MET 76 3.273 -6.253 -4.809 617 3HE MET 76 3HE MET 76 4.576 -5.707 -5.859 618 H ILE 77 H ILE 77 0.698 -3.918 -10.033 619 HA ILE 77 HA ILE 77 2.096 -1.603 -8.859 620 HB ILE 77 HB ILE 77 2.233 -2.847 -11.628 621 1HG1 ILE 77 2HG1 ILE 77 4.661 -3.230 -10.400 622 2HG1 ILE 77 1HG1 ILE 77 3.559 -3.365 -9.031 623 1HG2 ILE 77 1HG2 ILE 77 2.854 -0.410 -11.544 624 2HG2 ILE 77 2HG2 ILE 77 4.203 -1.460 -11.977 625 3HG2 ILE 77 3HG2 ILE 77 4.082 -0.808 -10.343 626 1HD1 ILE 77 1HD1 ILE 77 3.356 -5.526 -9.725 627 2HD1 ILE 77 2HD1 ILE 77 3.906 -5.159 -11.358 628 3HD1 ILE 77 3HD1 ILE 77 2.232 -4.847 -10.902 629 H GLN 78 H GLN 78 -0.707 -2.228 -10.825 630 HA GLN 78 HA GLN 78 -0.875 0.208 -12.278 631 1HB GLN 78 2HB GLN 78 -2.417 -2.006 -12.147 632 2HB GLN 78 1HB GLN 78 -3.399 -0.907 -11.179 633 1HG GLN 78 2HG GLN 78 -2.287 0.018 -13.813 634 2HG GLN 78 1HG GLN 78 -3.746 -0.971 -13.775 635 1HE2 GLN 78 1HE2 GLN 78 -2.387 2.156 -12.765 636 2HE2 GLN 78 2HE2 GLN 78 -3.882 2.886 -12.422 637 H LEU 79 H LEU 79 -2.811 -0.513 -9.342 638 HA LEU 79 HA LEU 79 -3.417 2.208 -8.852 639 1HB LEU 79 2HB LEU 79 -4.286 1.570 -6.718 640 2HB LEU 79 1HB LEU 79 -4.652 0.275 -7.840 641 HG LEU 79 HG LEU 79 -3.970 -0.751 -5.803 642 1HD1 LEU 79 1HD1 LEU 79 -1.977 -2.007 -6.407 643 2HD1 LEU 79 2HD1 LEU 79 -1.561 -0.804 -7.620 644 3HD1 LEU 79 3HD1 LEU 79 -3.008 -1.784 -7.818 645 1HD2 LEU 79 1HD2 LEU 79 -2.387 0.008 -4.366 646 2HD2 LEU 79 2HD2 LEU 79 -2.588 1.515 -5.259 647 3HD2 LEU 79 3HD2 LEU 79 -1.262 0.424 -5.659 648 H ILE 80 H ILE 80 -0.441 0.550 -8.312 649 HA ILE 80 HA ILE 80 0.511 2.331 -6.211 650 HB ILE 80 HB ILE 80 1.888 0.343 -8.049 651 1HG1 ILE 80 2HG1 ILE 80 1.425 0.386 -5.050 652 2HG1 ILE 80 1HG1 ILE 80 0.443 -0.513 -6.204 653 1HG2 ILE 80 1HG2 ILE 80 3.105 2.080 -5.873 654 2HG2 ILE 80 2HG2 ILE 80 3.528 2.090 -7.586 655 3HG2 ILE 80 3HG2 ILE 80 3.906 0.682 -6.593 656 1HD1 ILE 80 1HD1 ILE 80 3.411 -0.897 -5.704 657 2HD1 ILE 80 2HD1 ILE 80 2.474 -1.763 -6.920 658 3HD1 ILE 80 3HD1 ILE 80 2.124 -1.995 -5.207 659 H LYS 81 H LYS 81 0.852 2.087 -9.746 660 HA LYS 81 HA LYS 81 2.554 4.398 -10.028 661 1HB LYS 81 2HB LYS 81 0.600 3.342 -12.088 662 2HB LYS 81 1HB LYS 81 2.091 4.234 -12.382 663 1HG LYS 81 2HG LYS 81 2.740 1.924 -10.811 664 2HG LYS 81 1HG LYS 81 1.737 1.399 -12.163 665 1HD LYS 81 2HD LYS 81 3.809 3.365 -12.897 666 2HD LYS 81 1HD LYS 81 4.447 1.833 -12.300 667 1HE LYS 81 2HE LYS 81 3.231 0.584 -13.958 668 2HE LYS 81 1HE LYS 81 2.312 2.011 -14.440 669 1HZ LYS 81 1HZ LYS 81 5.251 2.029 -14.602 670 2HZ LYS 81 2HZ LYS 81 4.121 2.937 -15.490 671 3HZ LYS 81 3HZ LYS 81 4.346 1.287 -15.830 672 H GLU 82 H GLU 82 -0.922 3.883 -9.899 673 HA GLU 82 HA GLU 82 -1.741 6.491 -10.760 674 1HB GLU 82 2HB GLU 82 -3.086 4.233 -10.260 675 2HB GLU 82 1HB GLU 82 -3.330 5.021 -8.700 676 1HG GLU 82 2HG GLU 82 -5.165 5.639 -10.168 677 2HG GLU 82 1HG GLU 82 -4.145 7.055 -9.917 678 H PHE 83 H PHE 83 -1.229 5.121 -7.496 679 HA PHE 83 HA PHE 83 -1.710 7.634 -6.141 680 1HB PHE 83 2HB PHE 83 -0.317 5.088 -5.259 681 2HB PHE 83 1HB PHE 83 -0.623 6.454 -4.189 682 HD1 PHE 83 1HD PHE 83 -1.799 3.348 -4.802 683 HD2 PHE 83 2HD PHE 83 -3.254 7.389 -4.794 684 HE1 PHE 83 1HE PHE 83 -4.102 2.517 -4.405 685 HE2 PHE 83 2HE PHE 83 -5.554 6.556 -4.397 686 HZ PHE 83 HZ PHE 83 -5.981 4.124 -4.205 687 H ASP 84 H ASP 84 1.097 6.105 -7.590 688 HA ASP 84 HA ASP 84 3.150 7.623 -6.315 689 1HB ASP 84 2HB ASP 84 3.237 5.583 -8.013 690 2HB ASP 84 1HB ASP 84 3.386 6.871 -9.207 691 H ALA 85 H ALA 85 1.075 8.307 -9.091 692 HA ALA 85 HA ALA 85 2.464 10.807 -9.724 693 1HB ALA 85 1HB ALA 85 0.308 11.073 -11.194 694 2HB ALA 85 2HB ALA 85 0.039 9.381 -10.778 695 3HB ALA 85 3HB ALA 85 1.508 9.857 -11.631 696 H GLN 86 H GLN 86 -0.208 9.825 -7.697 697 HA GLN 86 HA GLN 86 -1.335 12.513 -7.507 698 1HB GLN 86 2HB GLN 86 -2.066 9.828 -6.677 699 2HB GLN 86 1HB GLN 86 -2.274 10.966 -5.347 700 1HG GLN 86 2HG GLN 86 -3.882 12.198 -6.471 701 2HG GLN 86 1HG GLN 86 -3.259 11.757 -8.061 702 1HE2 GLN 86 1HE2 GLN 86 -5.485 11.086 -8.681 703 2HE2 GLN 86 2HE2 GLN 86 -6.107 9.604 -8.135 704 H GLY 87 H GLY 87 1.506 11.292 -6.331 705 1HA GLY 87 2HA GLY 87 2.968 12.138 -4.697 706 2HA GLY 87 1HA GLY 87 1.776 13.397 -4.363 707 H VAL 88 H VAL 88 1.008 9.977 -4.261 708 HA VAL 88 HA VAL 88 0.559 10.242 -1.320 709 HB VAL 88 HB VAL 88 -0.741 8.387 -3.343 710 1HG1 VAL 88 1HG1 VAL 88 -0.846 7.173 -1.341 711 2HG1 VAL 88 2HG1 VAL 88 -2.331 8.120 -1.264 712 3HG1 VAL 88 3HG1 VAL 88 -0.913 8.629 -0.348 713 1HG2 VAL 88 1HG2 VAL 88 -1.956 10.661 -1.751 714 2HG2 VAL 88 2HG2 VAL 88 -2.702 9.754 -3.069 715 3HG2 VAL 88 3HG2 VAL 88 -1.359 10.850 -3.400 716 H SER 89 H SER 89 1.181 8.471 0.028 717 HA SER 89 HA SER 89 3.394 6.846 -1.129 718 1HB SER 89 2HB SER 89 2.818 8.003 1.554 719 2HB SER 89 1HB SER 89 3.636 6.443 1.526 720 HG SER 89 HG SER 89 4.539 8.934 0.821 721 H ILE 90 H ILE 90 3.575 4.580 -0.250 722 HA ILE 90 HA ILE 90 1.000 3.413 0.644 723 HB ILE 90 HB ILE 90 2.509 2.232 -1.699 724 1HG1 ILE 90 2HG1 ILE 90 0.023 3.985 -1.718 725 2HG1 ILE 90 1HG1 ILE 90 1.603 4.440 -2.348 726 1HG2 ILE 90 1HG2 ILE 90 0.878 0.948 -0.062 727 2HG2 ILE 90 2HG2 ILE 90 0.771 0.685 -1.803 728 3HG2 ILE 90 3HG2 ILE 90 -0.373 1.761 -1.002 729 1HD1 ILE 90 1HD1 ILE 90 1.221 2.105 -3.678 730 2HD1 ILE 90 2HD1 ILE 90 0.729 3.673 -4.318 731 3HD1 ILE 90 3HD1 ILE 90 -0.451 2.642 -3.510 732 H ARG 91 H ARG 91 1.568 2.317 2.445 733 HA ARG 91 HA ARG 91 4.288 1.156 2.657 734 1HB ARG 91 2HB ARG 91 2.101 1.272 4.753 735 2HB ARG 91 1HB ARG 91 3.807 0.919 5.020 736 1HG ARG 91 2HG ARG 91 4.407 3.181 4.269 737 2HG ARG 91 1HG ARG 91 2.707 3.540 3.963 738 1HD ARG 91 2HD ARG 91 2.174 3.620 6.223 739 2HD ARG 91 1HD ARG 91 3.507 2.561 6.680 740 HE ARG 91 HE ARG 91 4.501 5.046 5.603 741 1HH1 ARG 91 1HH2 ARG 91 3.074 3.614 8.457 742 2HH1 ARG 91 2HH2 ARG 91 3.801 4.766 9.521 743 1HH2 ARG 91 1HH1 ARG 91 5.420 6.517 7.017 744 2HH2 ARG 91 2HH1 ARG 91 5.114 6.393 8.718 745 H PHE 92 H PHE 92 4.569 -1.091 3.238 746 HA PHE 92 HA PHE 92 2.187 -2.816 2.695 747 1HB PHE 92 2HB PHE 92 5.032 -3.200 1.712 748 2HB PHE 92 1HB PHE 92 3.747 -4.395 1.543 749 HD1 PHE 92 1HD PHE 92 2.397 -4.358 -0.366 750 HD2 PHE 92 2HD PHE 92 4.464 -0.783 0.819 751 HE1 PHE 92 1HE PHE 92 1.599 -3.216 -2.418 752 HE2 PHE 92 2HE PHE 92 3.667 0.358 -1.234 753 HZ PHE 92 HZ PHE 92 2.234 -0.858 -2.852 754 H ILE 93 H ILE 93 1.776 -3.956 4.526 755 HA ILE 93 HA ILE 93 3.679 -4.197 6.676 756 HB ILE 93 HB ILE 93 1.246 -4.199 7.068 757 1HG1 ILE 93 2HG1 ILE 93 1.154 -6.186 8.590 758 2HG1 ILE 93 1HG1 ILE 93 2.654 -6.765 7.866 759 1HG2 ILE 93 1HG2 ILE 93 1.040 -5.795 4.902 760 2HG2 ILE 93 2HG2 ILE 93 -0.211 -5.698 6.142 761 3HG2 ILE 93 3HG2 ILE 93 0.959 -7.016 6.172 762 1HD1 ILE 93 1HD1 ILE 93 2.798 -5.355 10.053 763 2HD1 ILE 93 2HD1 ILE 93 2.485 -3.979 8.996 764 3HD1 ILE 93 3HD1 ILE 93 3.911 -4.982 8.738 765 H ASP 94 H ASP 94 5.438 -5.085 5.294 766 HA ASP 94 HA ASP 94 5.914 -7.837 5.786 767 1HB ASP 94 2HB ASP 94 4.131 -7.674 3.747 768 2HB ASP 94 1HB ASP 94 5.637 -7.553 2.837 769 H ASP 95 H ASP 95 6.518 -5.073 3.649 770 HA ASP 95 HA ASP 95 9.431 -5.767 3.729 771 1HB ASP 95 2HB ASP 95 7.792 -4.350 1.617 772 2HB ASP 95 1HB ASP 95 9.556 -4.326 1.634 773 H GLY 96 H GLY 96 7.015 -3.346 4.416 774 1HA GLY 96 2HA GLY 96 7.495 -1.597 6.051 775 2HA GLY 96 1HA GLY 96 9.168 -1.586 5.488 776 H ILE 97 H ILE 97 8.684 -1.566 2.710 777 HA ILE 97 HA ILE 97 6.936 0.707 2.095 778 HB ILE 97 HB ILE 97 8.827 2.031 1.106 779 1HG1 ILE 97 2HG1 ILE 97 10.735 0.493 2.819 780 2HG1 ILE 97 1HG1 ILE 97 10.289 -0.205 1.261 781 1HG2 ILE 97 1HG2 ILE 97 9.488 3.028 3.182 782 2HG2 ILE 97 2HG2 ILE 97 9.237 1.519 4.061 783 3HG2 ILE 97 3HG2 ILE 97 7.854 2.414 3.428 784 1HD1 ILE 97 1HD1 ILE 97 11.004 1.805 0.096 785 2HD1 ILE 97 2HD1 ILE 97 12.318 1.263 1.139 786 3HD1 ILE 97 3HD1 ILE 97 11.311 2.626 1.625 787 H SER 98 H SER 98 7.745 1.339 -0.403 788 HA SER 98 HA SER 98 8.383 -1.124 -1.898 789 1HB SER 98 2HB SER 98 5.680 0.074 -1.717 790 2HB SER 98 1HB SER 98 6.223 -0.306 -3.347 791 HG SER 98 HG SER 98 6.523 -2.418 -2.737 792 H THR 99 H THR 99 6.724 1.845 -2.958 793 HA THR 99 HA THR 99 9.204 2.561 -4.471 794 HB THR 99 HB THR 99 7.376 1.818 -5.968 795 HG1 THR 99 1HG THR 99 8.242 3.286 -7.164 796 1HG2 THR 99 1HG2 THR 99 5.225 2.435 -5.677 797 2HG2 THR 99 2HG2 THR 99 5.660 4.140 -5.559 798 3HG2 THR 99 3HG2 THR 99 5.722 3.112 -4.127 799 H ASP 100 H ASP 100 9.099 3.506 -1.966 800 HA ASP 100 HA ASP 100 7.643 5.840 -1.378 801 1HB ASP 100 2HB ASP 100 9.143 4.628 0.205 802 2HB ASP 100 1HB ASP 100 10.535 5.294 -0.650 803 H GLY 101 H GLY 101 10.279 5.403 -3.625 804 1HA GLY 101 2HA GLY 101 9.841 7.944 -4.865 805 2HA GLY 101 1HA GLY 101 11.279 8.032 -3.847 806 H GLU 102 H GLU 102 9.888 6.599 -6.718 807 HA GLU 102 HA GLU 102 12.299 5.018 -7.303 808 1HB GLU 102 2HB GLU 102 9.653 4.754 -8.005 809 2HB GLU 102 1HB GLU 102 10.339 5.449 -9.473 810 1HG GLU 102 2HG GLU 102 12.236 3.595 -8.895 811 2HG GLU 102 1HG GLU 102 10.810 2.793 -8.239 812 H MET 103 H MET 103 13.269 7.460 -7.023 813 HA MET 103 HA MET 103 13.213 8.970 -9.543 814 1HB MET 103 2HB MET 103 14.662 9.321 -6.912 815 2HB MET 103 1HB MET 103 14.997 10.347 -8.309 816 1HG MET 103 2HG MET 103 12.904 11.344 -8.255 817 2HG MET 103 1HG MET 103 12.147 9.952 -7.481 818 1HE MET 103 1HE MET 103 14.651 13.298 -5.749 819 2HE MET 103 2HE MET 103 14.665 12.596 -7.366 820 3HE MET 103 3HE MET 103 15.586 11.830 -6.074 821 H GLY 104 H GLY 104 15.663 7.193 -7.639 822 1HA GLY 104 2HA GLY 104 17.115 5.596 -8.915 823 2HA GLY 104 1HA GLY 104 17.197 6.822 -10.182 824 H LYS 105 H LYS 105 17.425 7.367 -6.685 825 HA LYS 105 HA LYS 105 19.127 8.332 -5.394 826 1HB LYS 105 2HB LYS 105 20.952 7.154 -7.513 827 2HB LYS 105 1HB LYS 105 21.415 7.645 -5.884 828 1HG LYS 105 2HG LYS 105 19.693 5.974 -5.024 829 2HG LYS 105 1HG LYS 105 19.590 5.366 -6.677 830 1HD LYS 105 2HD LYS 105 22.260 5.349 -6.413 831 2HD LYS 105 1HD LYS 105 21.824 5.151 -4.716 832 1HE LYS 105 2HE LYS 105 21.871 2.933 -5.438 833 2HE LYS 105 1HE LYS 105 20.167 3.334 -5.648 834 1HZ LYS 105 1HZ LYS 105 20.513 3.740 -7.949 835 2HZ LYS 105 2HZ LYS 105 21.209 2.231 -7.595 836 3HZ LYS 105 3HZ LYS 105 22.197 3.599 -7.794 Start of MODEL 10 1 1H MET 1 1HT MET 1 -3.553 14.750 2.411 2 HA MET 1 HA MET 1 -2.576 12.957 3.255 3 1HB MET 1 2HB MET 1 -1.206 14.908 4.157 4 2HB MET 1 1HB MET 1 -2.042 14.672 5.691 5 1HG MET 1 2HG MET 1 -0.814 12.278 4.390 6 2HG MET 1 1HG MET 1 0.265 13.437 5.169 7 1HE MET 1 1HE MET 1 -0.927 10.035 6.292 8 2HE MET 1 2HE MET 1 0.173 10.565 7.562 9 3HE MET 1 3HE MET 1 0.532 10.944 5.879 10 H ARG 2 H ARG 2 -3.100 11.094 4.365 11 HA ARG 2 HA ARG 2 -4.438 11.080 6.923 12 1HB ARG 2 2HB ARG 2 -6.083 11.284 4.531 13 2HB ARG 2 1HB ARG 2 -6.420 9.782 5.390 14 1HG ARG 2 2HG ARG 2 -7.641 10.928 6.890 15 2HG ARG 2 1HG ARG 2 -6.206 11.830 7.364 16 1HD ARG 2 2HD ARG 2 -6.853 13.091 5.031 17 2HD ARG 2 1HD ARG 2 -8.452 12.638 5.622 18 HE ARG 2 HE ARG 2 -6.771 13.871 7.668 19 1HH1 ARG 2 1HH2 ARG 2 -9.024 14.450 5.055 20 2HH1 ARG 2 2HH2 ARG 2 -9.511 15.986 5.684 21 1HH2 ARG 2 1HH1 ARG 2 -7.428 15.863 8.440 22 2HH2 ARG 2 2HH1 ARG 2 -8.620 16.778 7.578 23 H LEU 3 H LEU 3 -5.230 8.745 7.394 24 HA LEU 3 HA LEU 3 -3.214 6.884 6.239 25 1HB LEU 3 2HB LEU 3 -4.945 6.526 8.704 26 2HB LEU 3 1HB LEU 3 -3.568 5.531 8.225 27 HG LEU 3 HG LEU 3 -2.325 7.890 8.244 28 1HD1 LEU 3 1HD1 LEU 3 -3.303 9.007 10.428 29 2HD1 LEU 3 2HD1 LEU 3 -4.801 8.235 9.905 30 3HD1 LEU 3 3HD1 LEU 3 -3.992 9.397 8.852 31 1HD2 LEU 3 1HD2 LEU 3 -3.005 6.245 10.704 32 2HD2 LEU 3 2HD2 LEU 3 -1.669 7.394 10.600 33 3HD2 LEU 3 3HD2 LEU 3 -1.671 5.950 9.588 34 H PHE 4 H PHE 4 -4.440 6.487 4.282 35 HA PHE 4 HA PHE 4 -7.127 5.321 4.493 36 1HB PHE 4 2HB PHE 4 -5.219 5.866 2.218 37 2HB PHE 4 1HB PHE 4 -6.673 4.900 1.974 38 HD1 PHE 4 1HD PHE 4 -8.924 5.908 2.730 39 HD2 PHE 4 2HD PHE 4 -5.339 8.218 2.221 40 HE1 PHE 4 1HE PHE 4 -10.279 7.979 2.575 41 HE2 PHE 4 2HE PHE 4 -6.697 10.289 2.064 42 HZ PHE 4 HZ PHE 4 -9.166 10.168 2.243 43 H GLY 5 H GLY 5 -7.623 3.120 4.135 44 1HA GLY 5 2HA GLY 5 -5.287 1.266 3.974 45 2HA GLY 5 1HA GLY 5 -6.560 1.005 5.165 46 H TYR 6 H TYR 6 -5.607 -0.536 2.714 47 HA TYR 6 HA TYR 6 -8.221 -0.718 1.273 48 1HB TYR 6 2HB TYR 6 -6.209 -0.211 -0.126 49 2HB TYR 6 1HB TYR 6 -5.480 -1.720 0.423 50 HD1 TYR 6 1HD TYR 6 -6.135 -3.822 -0.489 51 HD2 TYR 6 2HD TYR 6 -8.331 -0.265 -1.471 52 HE1 TYR 6 1HE TYR 6 -7.341 -5.060 -2.265 53 HE2 TYR 6 2HE TYR 6 -9.538 -1.503 -3.248 54 HH TYR 6 HH TYR 6 -10.058 -4.284 -3.522 55 H ALA 7 H ALA 7 -9.372 -2.627 1.523 56 HA ALA 7 HA ALA 7 -7.922 -4.962 2.684 57 1HB ALA 7 1HB ALA 7 -8.893 -4.267 4.650 58 2HB ALA 7 2HB ALA 7 -10.227 -5.223 4.005 59 3HB ALA 7 3HB ALA 7 -10.234 -3.469 3.829 60 H ARG 8 H ARG 8 -8.095 -6.209 0.794 61 HA ARG 8 HA ARG 8 -10.826 -6.654 -0.318 62 1HB ARG 8 2HB ARG 8 -8.969 -6.150 -1.915 63 2HB ARG 8 1HB ARG 8 -8.141 -7.607 -1.367 64 1HG ARG 8 2HG ARG 8 -9.510 -8.981 -2.553 65 2HG ARG 8 1HG ARG 8 -10.952 -8.055 -2.139 66 1HD ARG 8 2HD ARG 8 -10.480 -7.952 -4.566 67 2HD ARG 8 1HD ARG 8 -10.362 -6.357 -3.820 68 HE ARG 8 HE ARG 8 -7.772 -7.299 -3.707 69 1HH1 ARG 8 1HH2 ARG 8 -10.128 -6.969 -6.270 70 2HH1 ARG 8 2HH2 ARG 8 -8.921 -6.739 -7.485 71 1HH2 ARG 8 1HH1 ARG 8 -6.244 -6.997 -5.312 72 2HH2 ARG 8 2HH1 ARG 8 -6.746 -6.752 -6.952 73 H VAL 9 H VAL 9 -11.871 -8.234 0.817 74 HA VAL 9 HA VAL 9 -10.632 -10.181 2.452 75 HB VAL 9 HB VAL 9 -12.829 -11.319 2.449 76 1HG1 VAL 9 1HG1 VAL 9 -12.365 -9.242 3.799 77 2HG1 VAL 9 2HG1 VAL 9 -14.070 -9.500 3.427 78 3HG1 VAL 9 3HG1 VAL 9 -13.138 -8.311 2.516 79 1HG2 VAL 9 1HG2 VAL 9 -14.559 -10.753 0.973 80 2HG2 VAL 9 2HG2 VAL 9 -13.145 -10.702 -0.079 81 3HG2 VAL 9 3HG2 VAL 9 -13.822 -9.208 0.563 82 H SER 10 H SER 10 -10.554 -12.518 2.173 83 HA SER 10 HA SER 10 -10.615 -13.557 -0.582 84 1HB SER 10 2HB SER 10 -8.201 -12.582 0.509 85 2HB SER 10 1HB SER 10 -8.087 -14.337 0.601 86 HG SER 10 HG SER 10 -8.705 -12.755 -1.677 87 H THR 11 H THR 11 -11.829 -14.043 2.223 88 HA THR 11 HA THR 11 -11.486 -16.977 2.107 89 HB THR 11 HB THR 11 -9.879 -16.083 3.834 90 HG1 THR 11 1HG THR 11 -12.042 -17.718 4.634 91 1HG2 THR 11 1HG2 THR 11 -12.188 -14.592 4.643 92 2HG2 THR 11 2HG2 THR 11 -10.558 -14.526 5.309 93 3HG2 THR 11 3HG2 THR 11 -11.733 -15.666 5.965 94 H SER 12 H SER 12 -13.290 -18.139 2.999 95 HA SER 12 HA SER 12 -15.827 -16.829 2.663 96 1HB SER 12 2HB SER 12 -14.961 -19.516 3.706 97 2HB SER 12 1HB SER 12 -16.644 -19.014 3.847 98 HG SER 12 HG SER 12 -15.190 -19.769 1.645 99 H GLN 13 H GLN 13 -13.831 -17.558 5.477 100 HA GLN 13 HA GLN 13 -15.789 -17.015 7.491 101 1HB GLN 13 2HB GLN 13 -13.160 -17.852 7.483 102 2HB GLN 13 1HB GLN 13 -13.025 -16.226 8.152 103 1HG GLN 13 2HG GLN 13 -13.421 -17.551 10.055 104 2HG GLN 13 1HG GLN 13 -15.024 -16.928 9.664 105 1HE2 GLN 13 1HE2 GLN 13 -14.214 -19.548 10.997 106 2HE2 GLN 13 2HE2 GLN 13 -14.957 -20.753 10.061 107 H GLN 14 H GLN 14 -14.973 -15.014 9.093 108 HA GLN 14 HA GLN 14 -15.867 -12.643 7.697 109 1HB GLN 14 2HB GLN 14 -15.432 -11.507 9.868 110 2HB GLN 14 1HB GLN 14 -16.403 -12.967 10.053 111 1HG GLN 14 2HG GLN 14 -13.822 -13.935 10.278 112 2HG GLN 14 1HG GLN 14 -13.708 -12.364 11.068 113 1HE2 GLN 14 1HE2 GLN 14 -16.351 -14.828 10.956 114 2HE2 GLN 14 2HE2 GLN 14 -16.519 -14.931 12.642 115 H SER 15 H SER 15 -14.140 -12.660 6.019 116 HA SER 15 HA SER 15 -11.394 -12.092 6.766 117 1HB SER 15 2HB SER 15 -11.766 -11.170 4.145 118 2HB SER 15 1HB SER 15 -11.165 -12.748 4.622 119 HG SER 15 HG SER 15 -13.845 -11.972 4.102 120 H LEU 16 H LEU 16 -14.188 -10.120 5.800 121 HA LEU 16 HA LEU 16 -12.829 -7.630 5.559 122 1HB LEU 16 2HB LEU 16 -15.115 -7.867 4.772 123 2HB LEU 16 1HB LEU 16 -15.683 -8.254 6.390 124 HG LEU 16 HG LEU 16 -14.292 -5.756 6.562 125 1HD1 LEU 16 1HD1 LEU 16 -15.090 -4.423 4.869 126 2HD1 LEU 16 2HD1 LEU 16 -16.539 -5.399 4.635 127 3HD1 LEU 16 3HD1 LEU 16 -14.994 -5.945 3.982 128 1HD2 LEU 16 1HD2 LEU 16 -16.209 -5.114 7.673 129 2HD2 LEU 16 2HD2 LEU 16 -16.460 -6.860 7.694 130 3HD2 LEU 16 3HD2 LEU 16 -17.277 -5.867 6.488 131 H ASP 17 H ASP 17 -14.165 -9.309 8.388 132 HA ASP 17 HA ASP 17 -13.730 -7.159 10.257 133 1HB ASP 17 2HB ASP 17 -15.040 -9.511 10.419 134 2HB ASP 17 1HB ASP 17 -13.529 -9.976 11.203 135 H ILE 18 H ILE 18 -11.837 -10.111 9.556 136 HA ILE 18 HA ILE 18 -9.634 -9.483 11.262 137 HB ILE 18 HB ILE 18 -9.556 -11.062 8.671 138 1HG1 ILE 18 2HG1 ILE 18 -9.802 -12.457 11.279 139 2HG1 ILE 18 1HG1 ILE 18 -11.246 -11.598 10.745 140 1HG2 ILE 18 1HG2 ILE 18 -7.914 -11.627 11.118 141 2HG2 ILE 18 2HG2 ILE 18 -7.422 -10.319 10.042 142 3HG2 ILE 18 3HG2 ILE 18 -7.551 -11.966 9.427 143 1HD1 ILE 18 1HD1 ILE 18 -11.635 -13.533 9.591 144 2HD1 ILE 18 2HD1 ILE 18 -9.930 -13.987 9.577 145 3HD1 ILE 18 3HD1 ILE 18 -10.536 -12.802 8.421 146 H GLN 19 H GLN 19 -10.358 -8.644 7.901 147 HA GLN 19 HA GLN 19 -7.818 -7.544 7.207 148 1HB GLN 19 2HB GLN 19 -10.624 -7.151 6.223 149 2HB GLN 19 1HB GLN 19 -9.344 -6.087 5.645 150 1HG GLN 19 2HG GLN 19 -8.016 -8.230 5.147 151 2HG GLN 19 1HG GLN 19 -9.549 -9.083 5.356 152 1HE2 GLN 19 1HE2 GLN 19 -11.406 -7.467 4.171 153 2HE2 GLN 19 2HE2 GLN 19 -11.031 -7.188 2.542 154 H VAL 20 H VAL 20 -10.782 -5.879 8.348 155 HA VAL 20 HA VAL 20 -9.743 -3.269 8.546 156 HB VAL 20 HB VAL 20 -11.716 -4.649 10.405 157 1HG1 VAL 20 1HG1 VAL 20 -11.547 -1.700 9.789 158 2HG1 VAL 20 2HG1 VAL 20 -10.694 -2.412 11.157 159 3HG1 VAL 20 3HG1 VAL 20 -12.451 -2.498 11.075 160 1HG2 VAL 20 1HG2 VAL 20 -13.344 -4.276 8.841 161 2HG2 VAL 20 2HG2 VAL 20 -11.980 -4.348 7.724 162 3HG2 VAL 20 3HG2 VAL 20 -12.596 -2.787 8.267 163 H ARG 21 H ARG 21 -9.678 -5.863 10.999 164 HA ARG 21 HA ARG 21 -8.255 -4.402 13.010 165 1HB ARG 21 2HB ARG 21 -7.905 -7.372 12.521 166 2HB ARG 21 1HB ARG 21 -7.843 -6.509 14.055 167 1HG ARG 21 2HG ARG 21 -10.398 -5.968 12.929 168 2HG ARG 21 1HG ARG 21 -10.124 -7.699 12.743 169 1HD ARG 21 2HD ARG 21 -9.332 -6.627 15.374 170 2HD ARG 21 1HD ARG 21 -11.059 -6.521 15.035 171 HE ARG 21 HE ARG 21 -9.953 -9.137 14.399 172 1HH1 ARG 21 1HH2 ARG 21 -11.241 -7.112 16.945 173 2HH1 ARG 21 2HH2 ARG 21 -11.736 -8.463 17.905 174 1HH2 ARG 21 1HH1 ARG 21 -10.609 -10.853 15.675 175 2HH2 ARG 21 2HH1 ARG 21 -11.383 -10.559 17.196 176 H ALA 22 H ALA 22 -7.187 -6.264 10.200 177 HA ALA 22 HA ALA 22 -4.361 -6.136 10.791 178 1HB ALA 22 1HB ALA 22 -5.391 -6.243 7.973 179 2HB ALA 22 2HB ALA 22 -5.730 -7.601 9.047 180 3HB ALA 22 3HB ALA 22 -4.061 -7.139 8.709 181 H LEU 23 H LEU 23 -6.603 -4.147 8.906 182 HA LEU 23 HA LEU 23 -4.626 -2.304 7.900 183 1HB LEU 23 2HB LEU 23 -7.612 -2.384 8.118 184 2HB LEU 23 1HB LEU 23 -6.854 -0.822 7.822 185 HG LEU 23 HG LEU 23 -5.700 -1.747 5.853 186 1HD1 LEU 23 1HD1 LEU 23 -5.569 -4.101 6.708 187 2HD1 LEU 23 2HD1 LEU 23 -6.154 -3.988 5.049 188 3HD1 LEU 23 3HD1 LEU 23 -7.290 -4.269 6.365 189 1HD2 LEU 23 1HD2 LEU 23 -8.683 -1.973 6.077 190 2HD2 LEU 23 2HD2 LEU 23 -7.886 -2.405 4.564 191 3HD2 LEU 23 3HD2 LEU 23 -7.722 -0.773 5.212 192 H LYS 24 H LYS 24 -6.861 -2.236 10.665 193 HA LYS 24 HA LYS 24 -6.095 0.326 11.678 194 1HB LYS 24 2HB LYS 24 -7.777 -1.876 12.493 195 2HB LYS 24 1HB LYS 24 -6.802 -1.368 13.869 196 1HG LYS 24 2HG LYS 24 -8.327 0.269 14.160 197 2HG LYS 24 1HG LYS 24 -7.604 1.043 12.755 198 1HD LYS 24 2HD LYS 24 -9.943 -0.891 12.705 199 2HD LYS 24 1HD LYS 24 -10.043 0.853 12.473 200 1HE LYS 24 2HE LYS 24 -8.382 -0.950 10.712 201 2HE LYS 24 1HE LYS 24 -10.048 -0.524 10.354 202 1HZ LYS 24 1HZ LYS 24 -8.025 0.895 9.478 203 2HZ LYS 24 2HZ LYS 24 -8.215 1.659 10.982 204 3HZ LYS 24 3HZ LYS 24 -9.510 1.601 9.887 205 H ASP 25 H ASP 25 -4.895 -2.955 12.386 206 HA ASP 25 HA ASP 25 -3.023 -2.273 14.405 207 1HB ASP 25 2HB ASP 25 -3.782 -4.592 13.381 208 2HB ASP 25 1HB ASP 25 -2.377 -4.355 12.353 209 H ALA 26 H ALA 26 -2.907 -2.090 10.912 210 HA ALA 26 HA ALA 26 -0.086 -1.507 10.686 211 1HB ALA 26 1HB ALA 26 -2.238 -0.685 8.736 212 2HB ALA 26 2HB ALA 26 -1.720 -2.363 8.883 213 3HB ALA 26 3HB ALA 26 -0.565 -1.125 8.393 214 H GLY 27 H GLY 27 -3.011 0.392 11.179 215 1HA GLY 27 2HA GLY 27 -2.637 2.567 12.409 216 2HA GLY 27 1HA GLY 27 -1.323 2.869 11.266 217 H VAL 28 H VAL 28 -4.537 1.520 10.670 218 HA VAL 28 HA VAL 28 -5.001 3.688 8.678 219 HB VAL 28 HB VAL 28 -6.099 0.863 8.895 220 1HG1 VAL 28 1HG1 VAL 28 -6.529 2.742 6.573 221 2HG1 VAL 28 2HG1 VAL 28 -7.668 2.690 7.916 222 3HG1 VAL 28 3HG1 VAL 28 -7.383 1.248 6.947 223 1HG2 VAL 28 1HG2 VAL 28 -3.873 0.775 8.085 224 2HG2 VAL 28 2HG2 VAL 28 -4.088 2.225 7.104 225 3HG2 VAL 28 3HG2 VAL 28 -4.881 0.720 6.638 226 H LYS 29 H LYS 29 -7.033 4.766 8.702 227 HA LYS 29 HA LYS 29 -8.372 4.773 11.326 228 1HB LYS 29 2HB LYS 29 -8.006 6.638 9.155 229 2HB LYS 29 1HB LYS 29 -9.729 6.482 9.498 230 1HG LYS 29 2HG LYS 29 -9.544 7.457 11.548 231 2HG LYS 29 1HG LYS 29 -8.000 6.676 11.891 232 1HD LYS 29 2HD LYS 29 -6.768 8.338 10.840 233 2HD LYS 29 1HD LYS 29 -8.101 8.801 9.780 234 1HE LYS 29 2HE LYS 29 -9.209 9.986 11.500 235 2HE LYS 29 1HE LYS 29 -8.263 9.204 12.766 236 1HZ LYS 29 1HZ LYS 29 -7.297 11.186 10.778 237 2HZ LYS 29 2HZ LYS 29 -6.280 10.325 11.832 238 3HZ LYS 29 3HZ LYS 29 -7.436 11.404 12.454 239 H ALA 30 H ALA 30 -10.398 3.932 11.719 240 HA ALA 30 HA ALA 30 -11.477 1.923 10.015 241 1HB ALA 30 1HB ALA 30 -13.525 2.123 11.471 242 2HB ALA 30 2HB ALA 30 -12.760 3.507 12.253 243 3HB ALA 30 3HB ALA 30 -12.020 1.911 12.366 244 H ASN 31 H ASN 31 -12.270 5.361 10.350 245 HA ASN 31 HA ASN 31 -14.590 5.359 8.682 246 1HB ASN 31 2HB ASN 31 -13.162 7.242 10.163 247 2HB ASN 31 1HB ASN 31 -12.961 7.789 8.501 248 1HD2 ASN 31 1HD2 ASN 31 -15.575 6.584 10.678 249 2HD2 ASN 31 2HD2 ASN 31 -16.767 7.618 10.059 250 H ARG 32 H ARG 32 -11.169 5.236 7.980 251 HA ARG 32 HA ARG 32 -11.759 5.613 5.075 252 1HB ARG 32 2HB ARG 32 -8.961 5.565 6.184 253 2HB ARG 32 1HB ARG 32 -9.569 6.372 4.743 254 1HG ARG 32 2HG ARG 32 -11.005 7.718 6.551 255 2HG ARG 32 1HG ARG 32 -9.658 7.261 7.594 256 1HD ARG 32 2HD ARG 32 -8.354 8.844 6.669 257 2HD ARG 32 1HD ARG 32 -8.630 8.180 5.058 258 HE ARG 32 HE ARG 32 -10.142 9.934 4.685 259 1HH1 ARG 32 1HH2 ARG 32 -9.773 9.419 8.125 260 2HH1 ARG 32 2HH2 ARG 32 -10.782 10.762 8.534 261 1HH2 ARG 32 1HH1 ARG 32 -11.438 11.661 5.260 262 2HH2 ARG 32 2HH1 ARG 32 -11.716 12.020 6.933 263 H ILE 33 H ILE 33 -12.606 3.242 5.738 264 HA ILE 33 HA ILE 33 -10.364 1.321 5.269 265 HB ILE 33 HB ILE 33 -13.111 0.914 6.500 266 1HG1 ILE 33 2HG1 ILE 33 -11.365 2.015 7.917 267 2HG1 ILE 33 1HG1 ILE 33 -11.889 0.457 8.547 268 1HG2 ILE 33 1HG2 ILE 33 -12.402 -1.049 5.130 269 2HG2 ILE 33 2HG2 ILE 33 -12.481 -1.415 6.852 270 3HG2 ILE 33 3HG2 ILE 33 -10.919 -1.143 6.082 271 1HD1 ILE 33 1HD1 ILE 33 -9.240 1.264 7.966 272 2HD1 ILE 33 2HD1 ILE 33 -9.667 0.077 6.736 273 3HD1 ILE 33 3HD1 ILE 33 -9.783 -0.343 8.441 274 H PHE 34 H PHE 34 -10.410 1.699 2.958 275 HA PHE 34 HA PHE 34 -12.884 1.221 1.465 276 1HB PHE 34 2HB PHE 34 -10.005 1.672 0.655 277 2HB PHE 34 1HB PHE 34 -11.268 1.302 -0.521 278 HD1 PHE 34 1HD PHE 34 -13.110 2.865 -0.934 279 HD2 PHE 34 2HD PHE 34 -9.996 3.782 1.876 280 HE1 PHE 34 1HE PHE 34 -13.849 5.231 -0.886 281 HE2 PHE 34 2HE PHE 34 -10.734 6.148 1.920 282 HZ PHE 34 HZ PHE 34 -12.659 6.873 0.540 283 H THR 35 H THR 35 -13.265 -0.919 2.432 284 HA THR 35 HA THR 35 -11.424 -3.100 1.818 285 HB THR 35 HB THR 35 -12.782 -3.194 3.848 286 HG1 THR 35 1HG THR 35 -12.325 -5.164 2.863 287 1HG2 THR 35 1HG2 THR 35 -14.874 -2.365 2.008 288 2HG2 THR 35 2HG2 THR 35 -14.861 -2.331 3.772 289 3HG2 THR 35 3HG2 THR 35 -15.363 -3.791 2.922 290 H ASP 36 H ASP 36 -12.697 -5.142 0.852 291 HA ASP 36 HA ASP 36 -14.392 -4.413 -1.454 292 1HB ASP 36 2HB ASP 36 -11.544 -5.281 -1.619 293 2HB ASP 36 1HB ASP 36 -12.669 -6.023 -2.758 294 H LYS 37 H LYS 37 -16.052 -5.773 -0.782 295 HA LYS 37 HA LYS 37 -15.586 -8.360 0.411 296 1HB LYS 37 2HB LYS 37 -18.115 -7.333 -0.908 297 2HB LYS 37 1HB LYS 37 -17.996 -8.665 0.243 298 1HG LYS 37 2HG LYS 37 -17.111 -5.845 0.901 299 2HG LYS 37 1HG LYS 37 -18.738 -6.439 1.230 300 1HD LYS 37 2HD LYS 37 -16.411 -8.069 2.189 301 2HD LYS 37 1HD LYS 37 -16.833 -6.605 3.073 302 1HE LYS 37 2HE LYS 37 -18.727 -7.521 3.918 303 2HE LYS 37 1HE LYS 37 -19.152 -8.285 2.387 304 1HZ LYS 37 1HZ LYS 37 -17.526 -10.005 2.821 305 2HZ LYS 37 2HZ LYS 37 -18.638 -9.916 4.101 306 3HZ LYS 37 3HZ LYS 37 -17.080 -9.261 4.278 307 H ALA 38 H ALA 38 -14.014 -8.966 -1.387 308 HA ALA 38 HA ALA 38 -14.874 -9.594 -4.026 309 1HB ALA 38 1HB ALA 38 -12.544 -9.598 -3.716 310 2HB ALA 38 2HB ALA 38 -12.917 -11.318 -3.824 311 3HB ALA 38 3HB ALA 38 -12.647 -10.570 -2.249 312 H SER 39 H SER 39 -15.291 -11.281 -0.984 313 HA SER 39 HA SER 39 -16.195 -13.744 -2.357 314 1HB SER 39 2HB SER 39 -15.627 -12.997 0.500 315 2HB SER 39 1HB SER 39 -16.595 -14.423 0.138 316 HG SER 39 HG SER 39 -14.886 -15.244 -1.044 317 H GLY 40 H GLY 40 -17.817 -11.545 -2.939 318 1HA GLY 40 2HA GLY 40 -20.220 -11.915 -1.215 319 2HA GLY 40 1HA GLY 40 -19.958 -10.547 -2.299 320 H SER 41 H SER 41 -20.327 -10.824 -4.544 321 HA SER 41 HA SER 41 -22.019 -13.183 -5.206 322 1HB SER 41 2HB SER 41 -22.392 -11.641 -7.330 323 2HB SER 41 1HB SER 41 -23.241 -11.308 -5.824 324 HG SER 41 HG SER 41 -21.013 -10.025 -6.964 325 H SER 42 H SER 42 -19.025 -11.565 -6.040 326 HA SER 42 HA SER 42 -17.992 -13.898 -7.382 327 1HB SER 42 2HB SER 42 -19.159 -11.687 -9.024 328 2HB SER 42 1HB SER 42 -17.667 -12.436 -9.587 329 HG SER 42 HG SER 42 -19.020 -13.866 -10.355 330 H SER 43 H SER 43 -17.776 -10.367 -7.022 331 HA SER 43 HA SER 43 -15.181 -10.445 -5.833 332 1HB SER 43 2HB SER 43 -15.246 -10.474 -8.750 333 2HB SER 43 1HB SER 43 -14.391 -9.063 -8.134 334 HG SER 43 HG SER 43 -12.916 -10.698 -8.219 335 H ASP 44 H ASP 44 -14.178 -8.033 -6.133 336 HA ASP 44 HA ASP 44 -16.049 -5.896 -6.610 337 1HB ASP 44 2HB ASP 44 -15.938 -7.094 -3.902 338 2HB ASP 44 1HB ASP 44 -15.811 -5.336 -3.948 339 H ARG 45 H ARG 45 -14.581 -4.471 -7.394 340 HA ARG 45 HA ARG 45 -12.028 -4.104 -5.876 341 1HB ARG 45 2HB ARG 45 -12.652 -4.158 -8.801 342 2HB ARG 45 1HB ARG 45 -11.381 -3.065 -8.250 343 1HG ARG 45 2HG ARG 45 -10.155 -4.883 -7.241 344 2HG ARG 45 1HG ARG 45 -11.482 -6.007 -7.536 345 1HD ARG 45 2HD ARG 45 -9.782 -6.346 -9.244 346 2HD ARG 45 1HD ARG 45 -11.201 -5.613 -9.994 347 HE ARG 45 HE ARG 45 -9.473 -3.511 -9.197 348 1HH1 ARG 45 1HH2 ARG 45 -9.534 -6.182 -11.454 349 2HH1 ARG 45 2HH2 ARG 45 -8.499 -5.382 -12.584 350 1HH2 ARG 45 1HH1 ARG 45 -8.136 -2.513 -10.686 351 2HH2 ARG 45 2HH1 ARG 45 -7.714 -3.327 -12.155 352 H LYS 46 H LYS 46 -14.660 -2.757 -5.465 353 HA LYS 46 HA LYS 46 -14.533 -0.087 -6.547 354 1HB LYS 46 2HB LYS 46 -15.892 -0.995 -3.995 355 2HB LYS 46 1HB LYS 46 -16.270 0.446 -4.938 356 1HG LYS 46 2HG LYS 46 -16.685 -1.195 -6.900 357 2HG LYS 46 1HG LYS 46 -16.743 -2.445 -5.656 358 1HD LYS 46 2HD LYS 46 -18.445 0.064 -5.633 359 2HD LYS 46 1HD LYS 46 -19.000 -1.509 -6.207 360 1HE LYS 46 2HE LYS 46 -18.003 -2.220 -3.786 361 2HE LYS 46 1HE LYS 46 -18.518 -0.571 -3.433 362 1HZ LYS 46 1HZ LYS 46 -20.297 -2.154 -3.041 363 2HZ LYS 46 2HZ LYS 46 -20.207 -2.689 -4.650 364 3HZ LYS 46 3HZ LYS 46 -20.704 -1.102 -4.307 365 H GLY 47 H GLY 47 -12.825 -1.654 -3.981 366 1HA GLY 47 2HA GLY 47 -12.334 0.499 -2.213 367 2HA GLY 47 1HA GLY 47 -11.238 -0.856 -2.461 368 H LEU 48 H LEU 48 -10.220 -0.602 -4.905 369 HA LEU 48 HA LEU 48 -8.531 1.733 -4.710 370 1HB LEU 48 2HB LEU 48 -8.551 0.507 -7.386 371 2HB LEU 48 1HB LEU 48 -7.217 0.784 -6.284 372 HG LEU 48 HG LEU 48 -8.366 -1.245 -4.977 373 1HD1 LEU 48 1HD1 LEU 48 -9.599 -2.697 -6.286 374 2HD1 LEU 48 2HD1 LEU 48 -8.844 -2.151 -7.784 375 3HD1 LEU 48 3HD1 LEU 48 -10.088 -1.167 -7.013 376 1HD2 LEU 48 1HD2 LEU 48 -6.740 -2.698 -6.043 377 2HD2 LEU 48 2HD2 LEU 48 -6.039 -1.085 -5.919 378 3HD2 LEU 48 3HD2 LEU 48 -6.677 -1.652 -7.462 379 H ASP 49 H ASP 49 -11.352 0.912 -6.678 380 HA ASP 49 HA ASP 49 -11.288 3.108 -8.475 381 1HB ASP 49 2HB ASP 49 -13.405 1.317 -7.384 382 2HB ASP 49 1HB ASP 49 -13.940 2.815 -8.144 383 H LEU 50 H LEU 50 -12.177 2.931 -5.090 384 HA LEU 50 HA LEU 50 -13.152 5.739 -5.140 385 1HB LEU 50 2HB LEU 50 -13.099 3.761 -2.839 386 2HB LEU 50 1HB LEU 50 -13.931 5.317 -2.871 387 HG LEU 50 HG LEU 50 -14.557 3.312 -5.010 388 1HD1 LEU 50 1HD1 LEU 50 -15.991 2.045 -3.667 389 2HD1 LEU 50 2HD1 LEU 50 -16.062 3.278 -2.409 390 3HD1 LEU 50 3HD1 LEU 50 -14.614 2.289 -2.595 391 1HD2 LEU 50 1HD2 LEU 50 -15.853 5.648 -3.647 392 2HD2 LEU 50 2HD2 LEU 50 -16.881 4.418 -4.384 393 3HD2 LEU 50 3HD2 LEU 50 -15.713 5.300 -5.369 394 H LEU 51 H LEU 51 -10.513 3.717 -3.997 395 HA LEU 51 HA LEU 51 -9.309 5.644 -2.224 396 1HB LEU 51 2HB LEU 51 -8.831 3.019 -2.758 397 2HB LEU 51 1HB LEU 51 -7.536 3.760 -3.698 398 HG LEU 51 HG LEU 51 -6.980 5.108 -1.604 399 1HD1 LEU 51 1HD1 LEU 51 -8.915 4.892 -0.266 400 2HD1 LEU 51 2HD1 LEU 51 -7.736 3.836 0.511 401 3HD1 LEU 51 3HD1 LEU 51 -8.994 3.147 -0.517 402 1HD2 LEU 51 1HD2 LEU 51 -5.769 3.192 -0.566 403 2HD2 LEU 51 2HD2 LEU 51 -5.613 3.209 -2.323 404 3HD2 LEU 51 3HD2 LEU 51 -6.730 2.086 -1.548 405 H ARG 52 H ARG 52 -8.980 4.944 -5.681 406 HA ARG 52 HA ARG 52 -6.774 6.677 -6.211 407 1HB ARG 52 2HB ARG 52 -9.060 5.747 -7.968 408 2HB ARG 52 1HB ARG 52 -7.678 6.662 -8.573 409 1HG ARG 52 2HG ARG 52 -6.195 4.911 -8.242 410 2HG ARG 52 1HG ARG 52 -7.150 4.211 -6.935 411 1HD ARG 52 2HD ARG 52 -7.212 2.868 -9.061 412 2HD ARG 52 1HD ARG 52 -8.803 3.385 -8.503 413 HE ARG 52 HE ARG 52 -7.734 5.333 -10.321 414 1HH1 ARG 52 1HH2 ARG 52 -9.109 2.117 -10.232 415 2HH1 ARG 52 2HH2 ARG 52 -9.721 2.226 -11.844 416 1HH2 ARG 52 1HH1 ARG 52 -8.547 5.429 -12.404 417 2HH2 ARG 52 2HH1 ARG 52 -9.407 4.079 -13.063 418 H MET 53 H MET 53 -10.199 7.293 -5.789 419 HA MET 53 HA MET 53 -9.771 10.134 -6.564 420 1HB MET 53 2HB MET 53 -12.140 10.314 -6.863 421 2HB MET 53 1HB MET 53 -11.654 8.800 -7.619 422 1HG MET 53 2HG MET 53 -12.435 7.529 -5.694 423 2HG MET 53 1HG MET 53 -12.783 9.012 -4.808 424 1HE MET 53 1HE MET 53 -14.276 6.242 -6.818 425 2HE MET 53 2HE MET 53 -13.355 7.090 -8.056 426 3HE MET 53 3HE MET 53 -15.112 7.019 -8.168 427 H LYS 54 H LYS 54 -10.086 8.142 -3.786 428 HA LYS 54 HA LYS 54 -11.082 10.364 -2.106 429 1HB LYS 54 2HB LYS 54 -10.582 7.432 -1.645 430 2HB LYS 54 1HB LYS 54 -10.798 8.534 -0.285 431 1HG LYS 54 2HG LYS 54 -12.768 8.673 -2.529 432 2HG LYS 54 1HG LYS 54 -12.887 7.320 -1.406 433 1HD LYS 54 2HD LYS 54 -13.096 8.818 0.481 434 2HD LYS 54 1HD LYS 54 -12.753 10.218 -0.535 435 1HE LYS 54 2HE LYS 54 -14.810 9.823 -1.813 436 2HE LYS 54 1HE LYS 54 -15.149 8.385 -0.849 437 1HZ LYS 54 1HZ LYS 54 -16.325 10.455 -0.137 438 2HZ LYS 54 2HZ LYS 54 -14.817 11.085 0.328 439 3HZ LYS 54 3HZ LYS 54 -15.427 9.691 1.081 440 H VAL 55 H VAL 55 -8.119 8.596 -2.791 441 HA VAL 55 HA VAL 55 -6.589 9.440 -0.534 442 HB VAL 55 HB VAL 55 -4.604 9.049 -2.013 443 1HG1 VAL 55 1HG1 VAL 55 -6.837 7.107 -1.637 444 2HG1 VAL 55 2HG1 VAL 55 -5.192 7.068 -1.000 445 3HG1 VAL 55 3HG1 VAL 55 -5.500 6.617 -2.679 446 1HG2 VAL 55 1HG2 VAL 55 -5.635 7.872 -4.273 447 2HG2 VAL 55 2HG2 VAL 55 -5.000 9.514 -4.208 448 3HG2 VAL 55 3HG2 VAL 55 -6.732 9.236 -4.056 449 H GLU 56 H GLU 56 -5.563 11.347 -0.073 450 HA GLU 56 HA GLU 56 -6.054 13.620 -1.922 451 1HB GLU 56 2HB GLU 56 -6.410 13.433 0.773 452 2HB GLU 56 1HB GLU 56 -4.782 14.107 0.714 453 1HG GLU 56 2HG GLU 56 -5.904 16.091 0.545 454 2HG GLU 56 1HG GLU 56 -5.995 15.652 -1.159 455 H GLU 57 H GLU 57 -4.169 15.297 -1.888 456 HA GLU 57 HA GLU 57 -1.839 14.040 -3.016 457 1HB GLU 57 2HB GLU 57 -2.598 16.848 -2.274 458 2HB GLU 57 1HB GLU 57 -0.916 16.486 -2.669 459 1HG GLU 57 2HG GLU 57 -1.385 16.040 -4.873 460 2HG GLU 57 1HG GLU 57 -2.991 15.406 -4.512 461 H GLY 58 H GLY 58 -0.455 12.892 -1.767 462 1HA GLY 58 2HA GLY 58 1.386 12.844 -0.205 463 2HA GLY 58 1HA GLY 58 0.652 14.193 0.661 464 H ASP 59 H ASP 59 -1.427 11.562 -0.278 465 HA ASP 59 HA ASP 59 -1.875 10.936 2.566 466 1HB ASP 59 2HB ASP 59 -3.373 10.685 0.074 467 2HB ASP 59 1HB ASP 59 -3.430 9.191 1.010 468 H VAL 60 H VAL 60 -2.163 8.456 3.032 469 HA VAL 60 HA VAL 60 0.065 6.967 1.700 470 HB VAL 60 HB VAL 60 0.295 5.844 4.053 471 1HG1 VAL 60 1HG1 VAL 60 1.270 8.630 3.393 472 2HG1 VAL 60 2HG1 VAL 60 2.089 7.104 3.066 473 3HG1 VAL 60 3HG1 VAL 60 1.902 7.664 4.726 474 1HG2 VAL 60 1HG2 VAL 60 -0.652 8.560 4.973 475 2HG2 VAL 60 2HG2 VAL 60 -0.356 7.115 5.939 476 3HG2 VAL 60 3HG2 VAL 60 -1.762 7.193 4.878 477 H ILE 61 H ILE 61 -0.570 5.047 0.890 478 HA ILE 61 HA ILE 61 -3.231 3.980 1.677 479 HB ILE 61 HB ILE 61 -1.392 3.475 -0.685 480 1HG1 ILE 61 2HG1 ILE 61 -3.895 4.039 -1.642 481 2HG1 ILE 61 1HG1 ILE 61 -3.886 4.978 -0.149 482 1HG2 ILE 61 1HG2 ILE 61 -3.621 1.801 0.375 483 2HG2 ILE 61 2HG2 ILE 61 -2.209 1.325 -0.567 484 3HG2 ILE 61 3HG2 ILE 61 -3.591 2.075 -1.367 485 1HD1 ILE 61 1HD1 ILE 61 -1.533 5.105 -2.016 486 2HD1 ILE 61 2HD1 ILE 61 -2.077 6.297 -0.837 487 3HD1 ILE 61 3HD1 ILE 61 -2.970 6.072 -2.342 488 H LEU 62 H LEU 62 -2.967 2.757 3.507 489 HA LEU 62 HA LEU 62 -0.583 1.102 3.916 490 1HB LEU 62 2HB LEU 62 -2.791 2.099 5.521 491 2HB LEU 62 1HB LEU 62 -2.569 0.372 5.794 492 HG LEU 62 HG LEU 62 -0.294 2.368 5.874 493 1HD1 LEU 62 1HD1 LEU 62 -1.920 2.889 7.647 494 2HD1 LEU 62 2HD1 LEU 62 -0.463 2.174 8.337 495 3HD1 LEU 62 3HD1 LEU 62 -1.920 1.200 8.153 496 1HD2 LEU 62 1HD2 LEU 62 0.623 0.232 5.549 497 2HD2 LEU 62 2HD2 LEU 62 -0.646 -0.559 6.482 498 3HD2 LEU 62 3HD2 LEU 62 0.609 0.367 7.307 499 H VAL 63 H VAL 63 -0.386 -0.973 3.243 500 HA VAL 63 HA VAL 63 -2.847 -2.389 2.308 501 HB VAL 63 HB VAL 63 0.065 -2.936 1.637 502 1HG1 VAL 63 1HG1 VAL 63 -1.499 -4.897 1.507 503 2HG1 VAL 63 2HG1 VAL 63 -0.824 -4.437 -0.056 504 3HG1 VAL 63 3HG1 VAL 63 -2.476 -3.984 0.358 505 1HG2 VAL 63 1HG2 VAL 63 -2.132 -1.505 0.115 506 2HG2 VAL 63 2HG2 VAL 63 -0.603 -2.010 -0.604 507 3HG2 VAL 63 3HG2 VAL 63 -0.616 -0.809 0.688 508 H LYS 64 H LYS 64 -3.108 -4.625 2.923 509 HA LYS 64 HA LYS 64 -1.841 -5.230 5.542 510 1HB LYS 64 2HB LYS 64 -3.686 -6.849 5.814 511 2HB LYS 64 1HB LYS 64 -4.302 -5.236 5.455 512 1HG LYS 64 2HG LYS 64 -3.773 -6.911 3.072 513 2HG LYS 64 1HG LYS 64 -5.062 -7.503 4.116 514 1HD LYS 64 2HD LYS 64 -6.400 -5.663 3.742 515 2HD LYS 64 1HD LYS 64 -5.029 -4.589 3.454 516 1HE LYS 64 2HE LYS 64 -5.726 -6.828 1.547 517 2HE LYS 64 1HE LYS 64 -6.443 -5.224 1.399 518 1HZ LYS 64 1HZ LYS 64 -4.210 -4.288 1.287 519 2HZ LYS 64 2HZ LYS 64 -4.478 -5.402 0.033 520 3HZ LYS 64 3HZ LYS 64 -3.540 -5.844 1.378 521 H LYS 65 H LYS 65 -1.970 -7.877 5.769 522 HA LYS 65 HA LYS 65 -0.405 -8.986 3.472 523 1HB LYS 65 2HB LYS 65 1.040 -8.507 5.454 524 2HB LYS 65 1HB LYS 65 0.012 -9.561 6.427 525 1HG LYS 65 2HG LYS 65 1.541 -11.150 5.820 526 2HG LYS 65 1HG LYS 65 0.557 -11.228 4.359 527 1HD LYS 65 2HD LYS 65 2.698 -9.154 4.454 528 2HD LYS 65 1HD LYS 65 3.201 -10.832 4.253 529 1HE LYS 65 2HE LYS 65 1.174 -10.764 2.470 530 2HE LYS 65 1HE LYS 65 1.682 -9.076 2.397 531 1HZ LYS 65 1HZ LYS 65 2.917 -10.345 0.805 532 2HZ LYS 65 2HZ LYS 65 3.400 -11.464 1.989 533 3HZ LYS 65 3HZ LYS 65 3.970 -9.864 2.043 534 H LEU 66 H LEU 66 -2.037 -10.228 2.557 535 HA LEU 66 HA LEU 66 -2.847 -12.648 3.941 536 1HB LEU 66 2HB LEU 66 -4.399 -10.949 4.942 537 2HB LEU 66 1HB LEU 66 -5.008 -10.609 3.323 538 HG LEU 66 HG LEU 66 -5.357 -13.227 3.243 539 1HD1 LEU 66 1HD1 LEU 66 -4.322 -13.765 5.361 540 2HD1 LEU 66 2HD1 LEU 66 -6.057 -14.024 5.535 541 3HD1 LEU 66 3HD1 LEU 66 -5.310 -12.572 6.202 542 1HD2 LEU 66 1HD2 LEU 66 -7.307 -11.994 3.002 543 2HD2 LEU 66 2HD2 LEU 66 -7.018 -11.055 4.466 544 3HD2 LEU 66 3HD2 LEU 66 -7.606 -12.714 4.584 545 H ASP 67 H ASP 67 -3.576 -10.384 1.298 546 HA ASP 67 HA ASP 67 -3.311 -12.598 -0.637 547 1HB ASP 67 2HB ASP 67 -5.753 -12.462 0.049 548 2HB ASP 67 1HB ASP 67 -5.779 -10.839 -0.642 549 H ARG 68 H ARG 68 -1.930 -11.790 -2.129 550 HA ARG 68 HA ARG 68 -1.095 -9.119 -2.377 551 1HB ARG 68 2HB ARG 68 -0.974 -11.531 -4.118 552 2HB ARG 68 1HB ARG 68 -0.665 -9.978 -4.896 553 1HG ARG 68 2HG ARG 68 0.844 -9.644 -2.695 554 2HG ARG 68 1HG ARG 68 0.922 -11.404 -2.819 555 1HD ARG 68 2HD ARG 68 1.987 -11.345 -4.893 556 2HD ARG 68 1HD ARG 68 1.374 -9.736 -5.275 557 HE ARG 68 HE ARG 68 3.256 -8.834 -4.194 558 1HH1 ARG 68 1HH2 ARG 68 2.765 -12.139 -3.160 559 2HH1 ARG 68 2HH2 ARG 68 4.226 -12.175 -2.239 560 1HH2 ARG 68 1HH1 ARG 68 5.139 -8.925 -2.990 561 2HH2 ARG 68 2HH1 ARG 68 5.558 -10.376 -2.142 562 H LEU 69 H LEU 69 -1.453 -7.673 -4.346 563 HA LEU 69 HA LEU 69 -4.361 -7.358 -4.732 564 1HB LEU 69 2HB LEU 69 -2.526 -5.501 -6.143 565 2HB LEU 69 1HB LEU 69 -3.967 -5.150 -5.206 566 HG LEU 69 HG LEU 69 -1.182 -5.718 -4.137 567 1HD1 LEU 69 1HD1 LEU 69 -1.045 -3.480 -3.700 568 2HD1 LEU 69 2HD1 LEU 69 -2.766 -3.339 -3.340 569 3HD1 LEU 69 3HD1 LEU 69 -2.216 -3.371 -5.013 570 1HD2 LEU 69 1HD2 LEU 69 -2.575 -5.025 -1.942 571 2HD2 LEU 69 2HD2 LEU 69 -2.383 -6.706 -2.441 572 3HD2 LEU 69 3HD2 LEU 69 -3.862 -5.831 -2.839 573 H GLY 70 H GLY 70 -1.512 -8.274 -6.565 574 1HA GLY 70 2HA GLY 70 -3.297 -9.085 -8.798 575 2HA GLY 70 1HA GLY 70 -1.912 -8.059 -9.173 576 H ARG 71 H ARG 71 -1.929 -10.443 -10.417 577 HA ARG 71 HA ARG 71 0.347 -11.841 -9.142 578 1HB ARG 71 2HB ARG 71 -2.359 -13.020 -9.605 579 2HB ARG 71 1HB ARG 71 -0.956 -14.034 -9.943 580 1HG ARG 71 2HG ARG 71 -0.195 -13.026 -7.561 581 2HG ARG 71 1HG ARG 71 -1.946 -12.974 -7.345 582 1HD ARG 71 2HD ARG 71 -2.171 -15.306 -7.651 583 2HD ARG 71 1HD ARG 71 -0.574 -15.451 -8.388 584 HE ARG 71 HE ARG 71 -0.095 -14.504 -5.804 585 1HH1 ARG 71 1HH2 ARG 71 -1.663 -17.290 -7.227 586 2HH1 ARG 71 2HH2 ARG 71 -1.293 -18.311 -5.881 587 1HH2 ARG 71 1HH1 ARG 71 0.361 -15.861 -4.085 588 2HH2 ARG 71 2HH1 ARG 71 -0.159 -17.513 -4.122 589 H ASP 72 H ASP 72 -1.918 -12.153 -11.904 590 HA ASP 72 HA ASP 72 0.340 -12.841 -13.676 591 1HB ASP 72 2HB ASP 72 -2.064 -13.870 -13.709 592 2HB ASP 72 1HB ASP 72 -2.494 -12.406 -14.595 593 H THR 73 H THR 73 -2.131 -10.287 -13.374 594 HA THR 73 HA THR 73 -0.654 -8.657 -15.376 595 HB THR 73 HB THR 73 -3.309 -8.089 -14.022 596 HG1 THR 73 1HG THR 73 -4.177 -9.303 -15.486 597 1HG2 THR 73 1HG2 THR 73 -3.543 -6.603 -16.086 598 2HG2 THR 73 2HG2 THR 73 -1.817 -6.853 -16.341 599 3HG2 THR 73 3HG2 THR 73 -2.383 -6.060 -14.872 600 H ALA 74 H ALA 74 -0.047 -6.454 -14.831 601 HA ALA 74 HA ALA 74 1.042 -6.201 -12.153 602 1HB ALA 74 1HB ALA 74 1.366 -3.727 -13.128 603 2HB ALA 74 2HB ALA 74 1.026 -4.557 -14.647 604 3HB ALA 74 3HB ALA 74 2.387 -5.068 -13.648 605 H ASP 75 H ASP 75 -1.340 -6.556 -11.329 606 HA ASP 75 HA ASP 75 -3.062 -4.197 -11.386 607 1HB ASP 75 2HB ASP 75 -3.221 -6.610 -9.555 608 2HB ASP 75 1HB ASP 75 -4.513 -5.461 -9.909 609 H MET 76 H MET 76 -1.138 -5.848 -8.855 610 HA MET 76 HA MET 76 -1.576 -3.913 -6.811 611 1HB MET 76 2HB MET 76 -0.642 -6.099 -6.283 612 2HB MET 76 1HB MET 76 0.761 -5.790 -7.290 613 1HG MET 76 2HG MET 76 0.262 -3.771 -5.180 614 2HG MET 76 1HG MET 76 0.710 -5.373 -4.595 615 1HE MET 76 1HE MET 76 2.551 -6.403 -4.590 616 2HE MET 76 2HE MET 76 4.164 -5.889 -5.079 617 3HE MET 76 3HE MET 76 3.098 -6.654 -6.254 618 H ILE 77 H ILE 77 0.669 -3.978 -9.517 619 HA ILE 77 HA ILE 77 2.151 -1.641 -8.530 620 HB ILE 77 HB ILE 77 2.258 -3.047 -11.218 621 1HG1 ILE 77 2HG1 ILE 77 4.545 -3.719 -9.942 622 2HG1 ILE 77 1HG1 ILE 77 3.474 -3.561 -8.549 623 1HG2 ILE 77 1HG2 ILE 77 4.657 -1.947 -11.006 624 2HG2 ILE 77 2HG2 ILE 77 3.816 -0.822 -9.941 625 3HG2 ILE 77 3HG2 ILE 77 3.299 -1.002 -11.618 626 1HD1 ILE 77 1HD1 ILE 77 2.139 -5.326 -9.199 627 2HD1 ILE 77 2HD1 ILE 77 3.666 -5.853 -9.910 628 3HD1 ILE 77 3HD1 ILE 77 2.449 -5.066 -10.916 629 H GLN 78 H GLN 78 -0.606 -2.277 -10.579 630 HA GLN 78 HA GLN 78 -0.600 0.078 -12.175 631 1HB GLN 78 2HB GLN 78 -2.280 -2.084 -11.876 632 2HB GLN 78 1HB GLN 78 -3.253 -0.775 -11.208 633 1HG GLN 78 2HG GLN 78 -3.805 -0.556 -13.442 634 2HG GLN 78 1HG GLN 78 -2.387 0.493 -13.390 635 1HE2 GLN 78 1HE2 GLN 78 -1.147 0.094 -15.226 636 2HE2 GLN 78 2HE2 GLN 78 -0.813 -1.444 -15.861 637 H LEU 79 H LEU 79 -2.707 -0.410 -9.312 638 HA LEU 79 HA LEU 79 -3.204 2.362 -8.980 639 1HB LEU 79 2HB LEU 79 -4.224 1.866 -6.879 640 2HB LEU 79 1HB LEU 79 -4.584 0.530 -7.953 641 HG LEU 79 HG LEU 79 -4.064 -0.435 -5.851 642 1HD1 LEU 79 1HD1 LEU 79 -1.541 -0.621 -7.497 643 2HD1 LEU 79 2HD1 LEU 79 -2.992 -1.586 -7.730 644 3HD1 LEU 79 3HD1 LEU 79 -2.050 -1.752 -6.251 645 1HD2 LEU 79 1HD2 LEU 79 -1.353 0.498 -5.396 646 2HD2 LEU 79 2HD2 LEU 79 -2.743 0.519 -4.312 647 3HD2 LEU 79 3HD2 LEU 79 -2.489 1.843 -5.447 648 H ILE 80 H ILE 80 -0.331 0.617 -8.257 649 HA ILE 80 HA ILE 80 0.594 2.433 -6.173 650 HB ILE 80 HB ILE 80 1.879 0.230 -7.809 651 1HG1 ILE 80 2HG1 ILE 80 1.511 0.624 -4.825 652 2HG1 ILE 80 1HG1 ILE 80 0.409 -0.289 -5.851 653 1HG2 ILE 80 1HG2 ILE 80 3.589 2.020 -7.501 654 2HG2 ILE 80 2HG2 ILE 80 3.974 0.570 -6.577 655 3HG2 ILE 80 3HG2 ILE 80 3.292 1.976 -5.763 656 1HD1 ILE 80 1HD1 ILE 80 3.269 -0.925 -5.142 657 2HD1 ILE 80 2HD1 ILE 80 2.503 -1.635 -6.562 658 3HD1 ILE 80 3HD1 ILE 80 1.840 -1.939 -4.957 659 H LYS 81 H LYS 81 1.144 1.973 -9.663 660 HA LYS 81 HA LYS 81 2.946 4.195 -9.976 661 1HB LYS 81 2HB LYS 81 1.027 3.148 -12.076 662 2HB LYS 81 1HB LYS 81 2.577 3.944 -12.338 663 1HG LYS 81 2HG LYS 81 3.040 1.681 -10.644 664 2HG LYS 81 1HG LYS 81 2.052 1.143 -11.999 665 1HD LYS 81 2HD LYS 81 4.247 2.949 -12.775 666 2HD LYS 81 1HD LYS 81 4.789 1.428 -12.065 667 1HE LYS 81 2HE LYS 81 3.455 0.156 -13.668 668 2HE LYS 81 1HE LYS 81 2.789 1.647 -14.336 669 1HZ LYS 81 1HZ LYS 81 4.621 0.789 -15.675 670 2HZ LYS 81 2HZ LYS 81 5.664 0.896 -14.337 671 3HZ LYS 81 3HZ LYS 81 5.000 2.306 -15.016 672 H GLU 82 H GLU 82 -0.553 3.860 -9.933 673 HA GLU 82 HA GLU 82 -1.190 6.480 -10.931 674 1HB GLU 82 2HB GLU 82 -2.636 4.228 -10.230 675 2HB GLU 82 1HB GLU 82 -3.051 5.355 -8.938 676 1HG GLU 82 2HG GLU 82 -3.608 7.068 -10.669 677 2HG GLU 82 1HG GLU 82 -3.306 5.859 -11.917 678 H PHE 83 H PHE 83 -0.892 5.169 -7.615 679 HA PHE 83 HA PHE 83 -1.265 7.763 -6.368 680 1HB PHE 83 2HB PHE 83 -0.008 5.262 -5.198 681 2HB PHE 83 1HB PHE 83 -0.647 6.628 -4.297 682 HD1 PHE 83 1HD PHE 83 -3.022 6.630 -6.694 683 HD2 PHE 83 2HD PHE 83 -1.585 3.961 -3.642 684 HE1 PHE 83 1HE PHE 83 -5.232 5.521 -6.614 685 HE2 PHE 83 2HE PHE 83 -3.804 2.861 -3.570 686 HZ PHE 83 HZ PHE 83 -5.625 3.641 -5.054 687 H ASP 84 H ASP 84 1.476 5.956 -7.600 688 HA ASP 84 HA ASP 84 3.567 7.347 -6.229 689 1HB ASP 84 2HB ASP 84 3.726 5.227 -7.704 690 2HB ASP 84 1HB ASP 84 3.793 6.340 -9.069 691 H ALA 85 H ALA 85 1.964 7.959 -9.347 692 HA ALA 85 HA ALA 85 3.479 10.431 -9.773 693 1HB ALA 85 1HB ALA 85 1.973 10.665 -11.764 694 2HB ALA 85 2HB ALA 85 1.137 9.198 -11.251 695 3HB ALA 85 3HB ALA 85 2.838 9.127 -11.717 696 H GLN 86 H GLN 86 0.566 9.570 -8.115 697 HA GLN 86 HA GLN 86 -0.667 12.205 -8.405 698 1HB GLN 86 2HB GLN 86 -1.419 9.582 -7.365 699 2HB GLN 86 1HB GLN 86 -1.925 10.881 -6.289 700 1HG GLN 86 2HG GLN 86 -3.333 11.831 -7.867 701 2HG GLN 86 1HG GLN 86 -2.404 11.198 -9.228 702 1HE2 GLN 86 1HE2 GLN 86 -4.233 9.834 -6.417 703 2HE2 GLN 86 2HE2 GLN 86 -4.982 8.607 -7.321 704 H GLY 87 H GLY 87 2.025 11.346 -6.759 705 1HA GLY 87 2HA GLY 87 3.173 12.433 -5.022 706 2HA GLY 87 1HA GLY 87 1.833 13.578 -4.925 707 H VAL 88 H VAL 88 1.378 10.108 -4.685 708 HA VAL 88 HA VAL 88 0.700 10.462 -1.791 709 HB VAL 88 HB VAL 88 -0.569 8.554 -3.780 710 1HG1 VAL 88 1HG1 VAL 88 -0.494 7.858 -1.346 711 2HG1 VAL 88 2HG1 VAL 88 -2.119 8.035 -2.007 712 3HG1 VAL 88 3HG1 VAL 88 -1.443 9.297 -0.976 713 1HG2 VAL 88 1HG2 VAL 88 -2.572 10.064 -3.442 714 2HG2 VAL 88 2HG2 VAL 88 -1.240 10.811 -4.323 715 3HG2 VAL 88 3HG2 VAL 88 -1.498 11.198 -2.622 716 H SER 89 H SER 89 1.280 8.729 -0.396 717 HA SER 89 HA SER 89 3.389 6.950 -1.522 718 1HB SER 89 2HB SER 89 2.893 8.121 1.200 719 2HB SER 89 1HB SER 89 3.854 6.654 1.041 720 HG SER 89 HG SER 89 4.814 8.963 0.844 721 H ILE 90 H ILE 90 3.497 4.736 -0.521 722 HA ILE 90 HA ILE 90 0.826 3.727 0.342 723 HB ILE 90 HB ILE 90 2.608 2.360 -1.699 724 1HG1 ILE 90 2HG1 ILE 90 -0.018 3.835 -2.075 725 2HG1 ILE 90 1HG1 ILE 90 1.561 4.440 -2.574 726 1HG2 ILE 90 1HG2 ILE 90 1.107 0.969 -0.162 727 2HG2 ILE 90 2HG2 ILE 90 0.837 0.761 -1.891 728 3HG2 ILE 90 3HG2 ILE 90 -0.262 1.760 -0.941 729 1HD1 ILE 90 1HD1 ILE 90 0.220 3.321 -4.411 730 2HD1 ILE 90 2HD1 ILE 90 0.420 1.805 -3.532 731 3HD1 ILE 90 3HD1 ILE 90 1.832 2.656 -4.160 732 H ARG 91 H ARG 91 1.094 2.741 2.263 733 HA ARG 91 HA ARG 91 3.781 1.778 3.047 734 1HB ARG 91 2HB ARG 91 1.226 1.915 4.674 735 2HB ARG 91 1HB ARG 91 2.854 1.644 5.297 736 1HG ARG 91 2HG ARG 91 3.549 3.855 4.666 737 2HG ARG 91 1HG ARG 91 2.066 4.127 3.753 738 1HD ARG 91 2HD ARG 91 0.779 4.420 5.662 739 2HD ARG 91 1HD ARG 91 1.854 3.442 6.662 740 HE ARG 91 HE ARG 91 3.352 5.689 5.898 741 1HH1 ARG 91 1HH2 ARG 91 0.404 5.047 7.668 742 2HH1 ARG 91 2HH2 ARG 91 0.580 6.447 8.666 743 1HH2 ARG 91 1HH1 ARG 91 3.538 7.491 7.210 744 2HH2 ARG 91 2HH1 ARG 91 2.334 7.818 8.411 745 H PHE 92 H PHE 92 4.283 -0.364 3.225 746 HA PHE 92 HA PHE 92 2.102 -2.333 2.667 747 1HB PHE 92 2HB PHE 92 5.018 -2.231 1.954 748 2HB PHE 92 1HB PHE 92 4.232 -3.799 2.132 749 HD1 PHE 92 1HD PHE 92 3.174 -4.721 0.269 750 HD2 PHE 92 2HD PHE 92 3.632 -0.458 0.528 751 HE1 PHE 92 1HE PHE 92 2.177 -4.476 -1.988 752 HE2 PHE 92 2HE PHE 92 2.635 -0.214 -1.728 753 HZ PHE 92 HZ PHE 92 1.907 -2.223 -2.986 754 H ILE 93 H ILE 93 1.529 -3.545 4.414 755 HA ILE 93 HA ILE 93 2.818 -3.407 6.939 756 HB ILE 93 HB ILE 93 0.475 -4.137 6.626 757 1HG1 ILE 93 2HG1 ILE 93 0.576 -6.119 8.193 758 2HG1 ILE 93 1HG1 ILE 93 2.330 -6.102 7.999 759 1HG2 ILE 93 1HG2 ILE 93 1.800 -6.556 5.382 760 2HG2 ILE 93 2HG2 ILE 93 0.604 -5.486 4.653 761 3HG2 ILE 93 3HG2 ILE 93 0.136 -6.569 5.963 762 1HD1 ILE 93 1HD1 ILE 93 2.507 -3.916 8.958 763 2HD1 ILE 93 2HD1 ILE 93 1.437 -4.832 10.022 764 3HD1 ILE 93 3HD1 ILE 93 0.762 -3.669 8.881 765 H ASP 94 H ASP 94 3.446 -5.462 4.174 766 HA ASP 94 HA ASP 94 5.045 -7.415 5.614 767 1HB ASP 94 2HB ASP 94 5.798 -8.073 3.311 768 2HB ASP 94 1HB ASP 94 4.043 -8.041 3.491 769 H ASP 95 H ASP 95 5.698 -4.409 3.866 770 HA ASP 95 HA ASP 95 8.580 -4.665 4.626 771 1HB ASP 95 2HB ASP 95 7.165 -3.445 2.300 772 2HB ASP 95 1HB ASP 95 8.618 -2.628 2.879 773 H GLY 96 H GLY 96 6.417 -1.906 3.924 774 1HA GLY 96 2HA GLY 96 5.724 -0.605 6.051 775 2HA GLY 96 1HA GLY 96 7.451 -0.610 6.407 776 H ILE 97 H ILE 97 8.289 -0.283 3.669 777 HA ILE 97 HA ILE 97 7.920 2.622 3.460 778 HB ILE 97 HB ILE 97 9.574 0.819 1.685 779 1HG1 ILE 97 2HG1 ILE 97 10.112 0.415 4.081 780 2HG1 ILE 97 1HG1 ILE 97 11.436 1.191 3.235 781 1HG2 ILE 97 1HG2 ILE 97 9.200 3.164 0.944 782 2HG2 ILE 97 2HG2 ILE 97 10.893 2.848 1.324 783 3HG2 ILE 97 3HG2 ILE 97 9.884 3.734 2.467 784 1HD1 ILE 97 1HD1 ILE 97 11.054 2.248 5.434 785 2HD1 ILE 97 2HD1 ILE 97 9.392 2.604 4.970 786 3HD1 ILE 97 3HD1 ILE 97 10.729 3.386 4.127 787 H SER 98 H SER 98 7.900 -0.001 1.020 788 HA SER 98 HA SER 98 5.292 0.545 0.005 789 1HB SER 98 2HB SER 98 6.885 2.640 -0.620 790 2HB SER 98 1HB SER 98 7.251 1.586 -1.982 791 HG SER 98 HG SER 98 4.911 2.901 -1.301 792 H THR 99 H THR 99 5.711 -0.028 -2.725 793 HA THR 99 HA THR 99 6.345 -2.859 -2.579 794 HB THR 99 HB THR 99 4.597 -2.051 -4.098 795 HG1 THR 99 1HG THR 99 5.862 -3.888 -4.692 796 1HG2 THR 99 1HG2 THR 99 5.024 0.000 -4.982 797 2HG2 THR 99 2HG2 THR 99 5.830 -0.910 -6.257 798 3HG2 THR 99 3HG2 THR 99 6.770 -0.231 -4.929 799 H ASP 100 H ASP 100 8.618 -2.138 -1.711 800 HA ASP 100 HA ASP 100 10.574 -1.139 -3.564 801 1HB ASP 100 2HB ASP 100 10.673 -1.368 -0.959 802 2HB ASP 100 1HB ASP 100 11.262 -2.996 -1.298 803 H GLY 101 H GLY 101 10.008 -2.464 -5.464 804 1HA GLY 101 2HA GLY 101 11.763 -4.374 -6.263 805 2HA GLY 101 1HA GLY 101 10.601 -5.340 -5.351 806 H GLU 102 H GLU 102 10.690 -2.873 -7.940 807 HA GLU 102 HA GLU 102 8.848 -4.502 -9.550 808 1HB GLU 102 2HB GLU 102 7.235 -2.601 -9.828 809 2HB GLU 102 1HB GLU 102 7.243 -3.274 -8.197 810 1HG GLU 102 2HG GLU 102 8.239 -1.410 -7.283 811 2HG GLU 102 1HG GLU 102 9.131 -1.034 -8.758 812 H MET 103 H MET 103 11.606 -3.396 -9.723 813 HA MET 103 HA MET 103 11.329 -1.468 -11.966 814 1HB MET 103 2HB MET 103 13.711 -2.346 -10.313 815 2HB MET 103 1HB MET 103 13.839 -1.280 -11.713 816 1HG MET 103 2HG MET 103 11.986 0.114 -10.496 817 2HG MET 103 1HG MET 103 12.518 -0.763 -9.061 818 1HE MET 103 1HE MET 103 14.489 2.552 -11.383 819 2HE MET 103 2HE MET 103 12.928 1.765 -11.593 820 3HE MET 103 3HE MET 103 14.380 1.018 -12.257 821 H GLY 104 H GLY 104 13.480 -4.245 -11.262 822 1HA GLY 104 2HA GLY 104 13.663 -4.848 -14.134 823 2HA GLY 104 1HA GLY 104 14.518 -5.691 -12.841 824 H LYS 105 H LYS 105 12.669 -6.685 -11.221 825 HA LYS 105 HA LYS 105 11.239 -8.624 -12.926 826 1HB LYS 105 2HB LYS 105 12.611 -9.039 -10.682 827 2HB LYS 105 1HB LYS 105 11.056 -8.664 -9.939 828 1HG LYS 105 2HG LYS 105 10.044 -10.552 -10.770 829 2HG LYS 105 1HG LYS 105 11.024 -10.559 -12.237 830 1HD LYS 105 2HD LYS 105 12.268 -11.129 -9.552 831 2HD LYS 105 1HD LYS 105 11.466 -12.408 -10.467 832 1HE LYS 105 2HE LYS 105 13.565 -10.645 -11.732 833 2HE LYS 105 1HE LYS 105 13.999 -12.108 -10.847 834 1HZ LYS 105 1HZ LYS 105 12.136 -11.971 -13.155 835 2HZ LYS 105 2HZ LYS 105 12.557 -13.379 -12.304 836 3HZ LYS 105 3HZ LYS 105 13.730 -12.546 -13.207 Start of MODEL 11 1 1H MET 1 1HT MET 1 -3.189 15.215 2.810 2 HA MET 1 HA MET 1 -2.606 13.140 3.351 3 1HB MET 1 2HB MET 1 -0.812 14.596 4.326 4 2HB MET 1 1HB MET 1 -1.641 14.507 5.881 5 1HG MET 1 2HG MET 1 -1.523 11.877 5.328 6 2HG MET 1 1HG MET 1 -0.102 12.407 4.426 7 1HE MET 1 1HE MET 1 -0.687 10.525 6.874 8 2HE MET 1 2HE MET 1 0.461 10.833 8.173 9 3HE MET 1 3HE MET 1 1.049 10.548 6.537 10 H ARG 2 H ARG 2 -3.317 11.261 4.354 11 HA ARG 2 HA ARG 2 -4.780 11.376 6.898 12 1HB ARG 2 2HB ARG 2 -6.131 11.170 4.261 13 2HB ARG 2 1HB ARG 2 -6.679 10.040 5.499 14 1HG ARG 2 2HG ARG 2 -6.903 12.016 7.067 15 2HG ARG 2 1HG ARG 2 -6.600 13.062 5.681 16 1HD ARG 2 2HD ARG 2 -8.658 11.026 5.165 17 2HD ARG 2 1HD ARG 2 -9.087 12.142 6.461 18 HE ARG 2 HE ARG 2 -8.065 13.658 4.276 19 1HH1 ARG 2 1HH2 ARG 2 -10.831 11.692 5.123 20 2HH1 ARG 2 2HH2 ARG 2 -11.890 12.546 4.057 21 1HH2 ARG 2 1HH1 ARG 2 -9.470 14.735 2.910 22 2HH2 ARG 2 2HH1 ARG 2 -11.131 14.250 2.815 23 H LEU 3 H LEU 3 -5.515 9.113 7.513 24 HA LEU 3 HA LEU 3 -3.455 7.164 6.617 25 1HB LEU 3 2HB LEU 3 -4.988 7.639 9.111 26 2HB LEU 3 1HB LEU 3 -4.730 5.944 8.698 27 HG LEU 3 HG LEU 3 -2.532 8.028 8.817 28 1HD1 LEU 3 1HD1 LEU 3 -3.401 5.906 10.800 29 2HD1 LEU 3 2HD1 LEU 3 -3.375 7.651 11.058 30 3HD1 LEU 3 3HD1 LEU 3 -1.862 6.761 10.889 31 1HD2 LEU 3 1HD2 LEU 3 -1.666 6.384 7.443 32 2HD2 LEU 3 2HD2 LEU 3 -2.703 5.127 8.119 33 3HD2 LEU 3 3HD2 LEU 3 -1.281 5.670 9.009 34 H PHE 4 H PHE 4 -4.687 6.822 4.565 35 HA PHE 4 HA PHE 4 -7.324 5.542 4.759 36 1HB PHE 4 2HB PHE 4 -5.440 6.230 2.512 37 2HB PHE 4 1HB PHE 4 -6.775 5.114 2.230 38 HD1 PHE 4 1HD PHE 4 -5.811 8.573 2.741 39 HD2 PHE 4 2HD PHE 4 -9.139 5.863 2.680 40 HE1 PHE 4 1HE PHE 4 -7.367 10.492 2.533 41 HE2 PHE 4 2HE PHE 4 -10.698 7.781 2.475 42 HZ PHE 4 HZ PHE 4 -9.811 10.096 2.401 43 H GLY 5 H GLY 5 -7.730 3.333 4.140 44 1HA GLY 5 2HA GLY 5 -5.341 1.553 4.073 45 2HA GLY 5 1HA GLY 5 -6.627 1.230 5.233 46 H TYR 6 H TYR 6 -5.565 -0.150 2.671 47 HA TYR 6 HA TYR 6 -8.181 -0.387 1.247 48 1HB TYR 6 2HB TYR 6 -6.249 0.257 -0.170 49 2HB TYR 6 1HB TYR 6 -5.394 -1.195 0.347 50 HD1 TYR 6 1HD TYR 6 -8.878 -0.421 -0.842 51 HD2 TYR 6 2HD TYR 6 -5.373 -2.868 -1.258 52 HE1 TYR 6 1HE TYR 6 -10.004 -1.733 -2.620 53 HE2 TYR 6 2HE TYR 6 -6.498 -4.180 -3.036 54 HH TYR 6 HH TYR 6 -8.610 -3.475 -4.779 55 H ALA 7 H ALA 7 -9.193 -2.383 1.189 56 HA ALA 7 HA ALA 7 -7.738 -4.716 2.338 57 1HB ALA 7 1HB ALA 7 -10.263 -3.451 3.334 58 2HB ALA 7 2HB ALA 7 -8.945 -4.187 4.245 59 3HB ALA 7 3HB ALA 7 -10.119 -5.207 3.412 60 H ARG 8 H ARG 8 -8.534 -6.747 1.586 61 HA ARG 8 HA ARG 8 -10.728 -6.747 -0.400 62 1HB ARG 8 2HB ARG 8 -8.633 -6.293 -1.687 63 2HB ARG 8 1HB ARG 8 -7.952 -7.790 -1.050 64 1HG ARG 8 2HG ARG 8 -8.825 -8.616 -3.016 65 2HG ARG 8 1HG ARG 8 -10.255 -8.782 -1.999 66 1HD ARG 8 2HD ARG 8 -11.394 -7.243 -3.197 67 2HD ARG 8 1HD ARG 8 -10.048 -6.104 -3.151 68 HE ARG 8 HE ARG 8 -10.662 -7.943 -5.323 69 1HH1 ARG 8 1HH2 ARG 8 -8.127 -6.160 -3.702 70 2HH1 ARG 8 2HH2 ARG 8 -7.110 -6.140 -5.099 71 1HH2 ARG 8 1HH1 ARG 8 -9.313 -7.893 -7.107 72 2HH2 ARG 8 2HH1 ARG 8 -7.771 -7.109 -7.008 73 H VAL 9 H VAL 9 -11.941 -8.174 0.821 74 HA VAL 9 HA VAL 9 -10.920 -10.322 2.364 75 HB VAL 9 HB VAL 9 -13.247 -11.226 2.274 76 1HG1 VAL 9 1HG1 VAL 9 -13.408 -8.246 2.629 77 2HG1 VAL 9 2HG1 VAL 9 -12.394 -9.209 3.705 78 3HG1 VAL 9 3HG1 VAL 9 -14.128 -9.521 3.612 79 1HG2 VAL 9 1HG2 VAL 9 -13.764 -8.854 0.466 80 2HG2 VAL 9 2HG2 VAL 9 -14.943 -10.048 1.006 81 3HG2 VAL 9 3HG2 VAL 9 -13.657 -10.518 -0.104 82 H SER 10 H SER 10 -10.332 -12.368 1.892 83 HA SER 10 HA SER 10 -10.564 -13.245 -0.958 84 1HB SER 10 2HB SER 10 -8.567 -14.634 -0.509 85 2HB SER 10 1HB SER 10 -8.237 -12.932 -0.201 86 HG SER 10 HG SER 10 -7.806 -14.837 1.444 87 H THR 11 H THR 11 -11.050 -14.125 2.413 88 HA THR 11 HA THR 11 -12.036 -16.813 1.633 89 HB THR 11 HB THR 11 -10.566 -16.731 3.586 90 HG1 THR 11 1HG THR 11 -11.980 -18.266 3.991 91 1HG2 THR 11 1HG2 THR 11 -11.683 -15.521 5.656 92 2HG2 THR 11 2HG2 THR 11 -12.455 -14.555 4.401 93 3HG2 THR 11 3HG2 THR 11 -10.697 -14.610 4.514 94 H SER 12 H SER 12 -14.083 -17.363 3.213 95 HA SER 12 HA SER 12 -16.042 -15.126 2.889 96 1HB SER 12 2HB SER 12 -16.263 -18.009 2.054 97 2HB SER 12 1HB SER 12 -17.710 -17.095 2.469 98 HG SER 12 HG SER 12 -17.320 -16.843 0.286 99 H GLN 13 H GLN 13 -15.849 -14.652 5.142 100 HA GLN 13 HA GLN 13 -17.643 -16.074 6.861 101 1HB GLN 13 2HB GLN 13 -15.445 -17.549 6.694 102 2HB GLN 13 1HB GLN 13 -14.831 -16.371 7.854 103 1HG GLN 13 2HG GLN 13 -16.654 -16.841 9.386 104 2HG GLN 13 1HG GLN 13 -17.429 -17.895 8.200 105 1HE2 GLN 13 1HE2 GLN 13 -14.624 -17.624 10.379 106 2HE2 GLN 13 2HE2 GLN 13 -14.228 -19.275 10.347 107 H GLN 14 H GLN 14 -14.544 -14.300 7.120 108 HA GLN 14 HA GLN 14 -15.881 -11.941 8.189 109 1HB GLN 14 2HB GLN 14 -14.678 -11.991 10.377 110 2HB GLN 14 1HB GLN 14 -15.850 -13.300 10.221 111 1HG GLN 14 2HG GLN 14 -13.720 -14.572 9.216 112 2HG GLN 14 1HG GLN 14 -12.869 -13.419 10.243 113 1HE2 GLN 14 1HE2 GLN 14 -13.544 -13.389 12.600 114 2HE2 GLN 14 2HE2 GLN 14 -14.127 -14.824 13.297 115 H SER 15 H SER 15 -14.033 -12.705 6.024 116 HA SER 15 HA SER 15 -11.350 -11.930 6.552 117 1HB SER 15 2HB SER 15 -11.831 -11.113 3.935 118 2HB SER 15 1HB SER 15 -11.296 -12.711 4.435 119 HG SER 15 HG SER 15 -13.139 -13.032 3.288 120 H LEU 16 H LEU 16 -14.194 -9.979 5.658 121 HA LEU 16 HA LEU 16 -12.859 -7.498 5.259 122 1HB LEU 16 2HB LEU 16 -15.189 -7.754 4.646 123 2HB LEU 16 1HB LEU 16 -15.640 -8.105 6.310 124 HG LEU 16 HG LEU 16 -14.218 -5.577 6.181 125 1HD1 LEU 16 1HD1 LEU 16 -16.738 -5.769 4.499 126 2HD1 LEU 16 2HD1 LEU 16 -15.112 -5.547 3.854 127 3HD1 LEU 16 3HD1 LEU 16 -15.838 -4.298 4.865 128 1HD2 LEU 16 1HD2 LEU 16 -17.150 -5.973 6.782 129 2HD2 LEU 16 2HD2 LEU 16 -16.020 -4.836 7.516 130 3HD2 LEU 16 3HD2 LEU 16 -15.910 -6.555 7.893 131 H ASP 17 H ASP 17 -14.058 -9.049 8.224 132 HA ASP 17 HA ASP 17 -13.394 -6.858 9.981 133 1HB ASP 17 2HB ASP 17 -14.761 -9.222 10.270 134 2HB ASP 17 1HB ASP 17 -13.254 -9.589 11.108 135 H ILE 18 H ILE 18 -11.736 -9.905 9.151 136 HA ILE 18 HA ILE 18 -9.384 -9.485 10.699 137 HB ILE 18 HB ILE 18 -9.624 -10.919 8.034 138 1HG1 ILE 18 2HG1 ILE 18 -9.673 -12.354 10.650 139 2HG1 ILE 18 1HG1 ILE 18 -11.143 -11.504 10.170 140 1HG2 ILE 18 1HG2 ILE 18 -7.340 -10.865 8.431 141 2HG2 ILE 18 2HG2 ILE 18 -7.779 -12.313 9.337 142 3HG2 ILE 18 3HG2 ILE 18 -7.541 -10.784 10.181 143 1HD1 ILE 18 1HD1 ILE 18 -10.699 -14.013 9.398 144 2HD1 ILE 18 2HD1 ILE 18 -9.775 -13.211 8.129 145 3HD1 ILE 18 3HD1 ILE 18 -11.490 -12.860 8.324 146 H GLN 19 H GLN 19 -10.207 -8.523 7.376 147 HA GLN 19 HA GLN 19 -7.655 -7.422 6.701 148 1HB GLN 19 2HB GLN 19 -10.454 -7.051 5.679 149 2HB GLN 19 1HB GLN 19 -9.175 -5.974 5.123 150 1HG GLN 19 2HG GLN 19 -8.735 -8.947 5.112 151 2HG GLN 19 1HG GLN 19 -9.625 -8.181 3.794 152 1HE2 GLN 19 1HE2 GLN 19 -6.452 -8.378 5.367 153 2HE2 GLN 19 2HE2 GLN 19 -5.598 -7.584 4.133 154 H VAL 20 H VAL 20 -10.629 -5.825 7.923 155 HA VAL 20 HA VAL 20 -9.569 -3.200 8.134 156 HB VAL 20 HB VAL 20 -11.621 -4.596 9.892 157 1HG1 VAL 20 1HG1 VAL 20 -12.398 -2.148 10.193 158 2HG1 VAL 20 2HG1 VAL 20 -10.775 -1.710 9.657 159 3HG1 VAL 20 3HG1 VAL 20 -10.991 -2.677 11.116 160 1HG2 VAL 20 1HG2 VAL 20 -11.785 -4.069 7.215 161 2HG2 VAL 20 2HG2 VAL 20 -12.425 -2.571 7.889 162 3HG2 VAL 20 3HG2 VAL 20 -13.176 -4.113 8.296 163 H ARG 21 H ARG 21 -9.589 -5.842 10.544 164 HA ARG 21 HA ARG 21 -8.161 -4.430 12.587 165 1HB ARG 21 2HB ARG 21 -8.035 -7.410 12.027 166 2HB ARG 21 1HB ARG 21 -7.751 -6.606 13.570 167 1HG ARG 21 2HG ARG 21 -10.338 -5.812 12.573 168 2HG ARG 21 1HG ARG 21 -10.225 -7.570 12.531 169 1HD ARG 21 2HD ARG 21 -10.930 -7.276 14.714 170 2HD ARG 21 1HD ARG 21 -9.184 -7.221 14.952 171 HE ARG 21 HE ARG 21 -9.385 -4.943 15.513 172 1HH1 ARG 21 1HH2 ARG 21 -12.267 -6.030 13.856 173 2HH1 ARG 21 2HH2 ARG 21 -13.119 -4.558 14.160 174 1HH2 ARG 21 1HH1 ARG 21 -10.524 -3.053 15.879 175 2HH2 ARG 21 2HH1 ARG 21 -12.145 -2.889 15.294 176 H ALA 22 H ALA 22 -7.117 -6.359 9.813 177 HA ALA 22 HA ALA 22 -4.301 -6.340 10.402 178 1HB ALA 22 1HB ALA 22 -4.015 -7.182 8.213 179 2HB ALA 22 2HB ALA 22 -5.430 -6.325 7.603 180 3HB ALA 22 3HB ALA 22 -5.634 -7.736 8.640 181 H LEU 23 H LEU 23 -6.453 -4.196 8.601 182 HA LEU 23 HA LEU 23 -4.411 -2.393 7.651 183 1HB LEU 23 2HB LEU 23 -7.394 -2.408 7.853 184 2HB LEU 23 1HB LEU 23 -6.609 -0.842 7.667 185 HG LEU 23 HG LEU 23 -5.483 -1.618 5.629 186 1HD1 LEU 23 1HD1 LEU 23 -5.772 -3.793 4.711 187 2HD1 LEU 23 2HD1 LEU 23 -7.066 -4.181 5.841 188 3HD1 LEU 23 3HD1 LEU 23 -5.403 -4.060 6.413 189 1HD2 LEU 23 1HD2 LEU 23 -8.297 -2.514 5.198 190 2HD2 LEU 23 2HD2 LEU 23 -7.328 -1.374 4.265 191 3HD2 LEU 23 3HD2 LEU 23 -8.040 -0.878 5.801 192 H LYS 24 H LYS 24 -6.688 -2.274 10.404 193 HA LYS 24 HA LYS 24 -5.768 0.199 11.496 194 1HB LYS 24 2HB LYS 24 -7.282 -2.163 12.538 195 2HB LYS 24 1HB LYS 24 -6.615 -1.031 13.713 196 1HG LYS 24 2HG LYS 24 -8.404 0.287 13.350 197 2HG LYS 24 1HG LYS 24 -7.777 0.595 11.731 198 1HD LYS 24 2HD LYS 24 -9.299 -0.785 10.743 199 2HD LYS 24 1HD LYS 24 -9.204 -1.980 12.035 200 1HE LYS 24 2HE LYS 24 -10.504 0.668 12.581 201 2HE LYS 24 1HE LYS 24 -11.409 -0.575 11.721 202 1HZ LYS 24 1HZ LYS 24 -10.524 -2.059 13.659 203 2HZ LYS 24 2HZ LYS 24 -11.905 -1.092 13.872 204 3HZ LYS 24 3HZ LYS 24 -10.404 -0.576 14.475 205 H ASP 25 H ASP 25 -4.744 -3.166 12.080 206 HA ASP 25 HA ASP 25 -2.859 -2.693 14.142 207 1HB ASP 25 2HB ASP 25 -3.709 -4.912 12.991 208 2HB ASP 25 1HB ASP 25 -2.310 -4.671 11.957 209 H ALA 26 H ALA 26 -2.686 -2.349 10.662 210 HA ALA 26 HA ALA 26 0.154 -1.852 10.499 211 1HB ALA 26 1HB ALA 26 -1.240 -2.591 8.576 212 2HB ALA 26 2HB ALA 26 -0.386 -1.089 8.221 213 3HB ALA 26 3HB ALA 26 -2.102 -1.055 8.630 214 H GLY 27 H GLY 27 -2.726 0.111 10.975 215 1HA GLY 27 2HA GLY 27 -2.260 2.188 12.391 216 2HA GLY 27 1HA GLY 27 -0.996 2.543 11.209 217 H VAL 28 H VAL 28 -4.245 1.253 10.626 218 HA VAL 28 HA VAL 28 -4.756 3.566 8.820 219 HB VAL 28 HB VAL 28 -5.814 0.722 8.883 220 1HG1 VAL 28 1HG1 VAL 28 -7.294 1.216 7.079 221 2HG1 VAL 28 2HG1 VAL 28 -6.625 2.834 6.871 222 3HG1 VAL 28 3HG1 VAL 28 -7.614 2.460 8.281 223 1HG2 VAL 28 1HG2 VAL 28 -4.646 2.065 6.492 224 2HG2 VAL 28 2HG2 VAL 28 -4.539 0.379 7.002 225 3HG2 VAL 28 3HG2 VAL 28 -3.553 1.607 7.797 226 H LYS 29 H LYS 29 -6.851 4.563 8.916 227 HA LYS 29 HA LYS 29 -8.035 4.462 11.627 228 1HB LYS 29 2HB LYS 29 -7.789 6.450 9.492 229 2HB LYS 29 1HB LYS 29 -9.429 6.361 10.130 230 1HG LYS 29 2HG LYS 29 -8.830 7.179 12.168 231 2HG LYS 29 1HG LYS 29 -7.297 6.310 12.178 232 1HD LYS 29 2HD LYS 29 -6.184 8.139 11.479 233 2HD LYS 29 1HD LYS 29 -7.264 8.325 10.099 234 1HE LYS 29 2HE LYS 29 -8.778 9.673 11.319 235 2HE LYS 29 1HE LYS 29 -8.105 9.171 12.869 236 1HZ LYS 29 1HZ LYS 29 -7.470 11.460 11.863 237 2HZ LYS 29 2HZ LYS 29 -6.385 10.550 10.925 238 3HZ LYS 29 3HZ LYS 29 -6.282 10.515 12.620 239 H ALA 30 H ALA 30 -10.118 3.746 12.011 240 HA ALA 30 HA ALA 30 -11.293 1.903 10.153 241 1HB ALA 30 1HB ALA 30 -11.569 2.335 12.822 242 2HB ALA 30 2HB ALA 30 -12.693 1.367 11.867 243 3HB ALA 30 3HB ALA 30 -13.065 3.054 12.225 244 H ASN 31 H ASN 31 -11.685 5.340 10.644 245 HA ASN 31 HA ASN 31 -14.251 5.642 9.408 246 1HB ASN 31 2HB ASN 31 -12.370 7.308 10.636 247 2HB ASN 31 1HB ASN 31 -12.429 7.886 8.974 248 1HD2 ASN 31 1HD2 ASN 31 -14.770 6.795 11.506 249 2HD2 ASN 31 2HD2 ASN 31 -15.909 8.009 11.177 250 H ARG 32 H ARG 32 -11.011 5.224 8.123 251 HA ARG 32 HA ARG 32 -12.163 5.512 5.378 252 1HB ARG 32 2HB ARG 32 -9.634 5.911 4.761 253 2HB ARG 32 1HB ARG 32 -10.613 7.242 5.361 254 1HG ARG 32 2HG ARG 32 -9.145 5.569 7.361 255 2HG ARG 32 1HG ARG 32 -8.217 6.713 6.390 256 1HD ARG 32 2HD ARG 32 -10.372 8.239 7.110 257 2HD ARG 32 1HD ARG 32 -10.167 7.231 8.536 258 HE ARG 32 HE ARG 32 -7.605 8.113 7.994 259 1HH1 ARG 32 1HH2 ARG 32 -10.695 9.690 8.446 260 2HH1 ARG 32 2HH2 ARG 32 -9.983 11.128 9.085 261 1HH2 ARG 32 1HH1 ARG 32 -6.725 10.000 8.826 262 2HH2 ARG 32 2HH1 ARG 32 -7.761 11.305 9.299 263 H ILE 33 H ILE 33 -12.662 3.159 5.980 264 HA ILE 33 HA ILE 33 -10.311 1.413 5.380 265 HB ILE 33 HB ILE 33 -12.984 0.762 6.669 266 1HG1 ILE 33 2HG1 ILE 33 -11.380 2.008 8.098 267 2HG1 ILE 33 1HG1 ILE 33 -11.647 0.368 8.684 268 1HG2 ILE 33 1HG2 ILE 33 -10.976 -1.304 6.940 269 2HG2 ILE 33 2HG2 ILE 33 -11.254 -0.961 5.234 270 3HG2 ILE 33 3HG2 ILE 33 -12.604 -1.420 6.271 271 1HD1 ILE 33 1HD1 ILE 33 -9.271 1.356 7.081 272 2HD1 ILE 33 2HD1 ILE 33 -9.562 -0.339 7.467 273 3HD1 ILE 33 3HD1 ILE 33 -9.264 0.822 8.762 274 H PHE 34 H PHE 34 -10.472 1.856 3.087 275 HA PHE 34 HA PHE 34 -12.960 1.306 1.664 276 1HB PHE 34 2HB PHE 34 -10.208 2.183 0.958 277 2HB PHE 34 1HB PHE 34 -11.088 1.314 -0.295 278 HD1 PHE 34 1HD PHE 34 -13.795 2.071 -0.163 279 HD2 PHE 34 2HD PHE 34 -10.353 4.492 0.700 280 HE1 PHE 34 1HE PHE 34 -15.109 4.116 -0.655 281 HE2 PHE 34 2HE PHE 34 -11.668 6.535 0.206 282 HZ PHE 34 HZ PHE 34 -14.045 6.349 -0.471 283 H THR 35 H THR 35 -13.239 -0.878 2.572 284 HA THR 35 HA THR 35 -11.359 -2.968 1.735 285 HB THR 35 HB THR 35 -12.521 -3.166 3.892 286 HG1 THR 35 1HG THR 35 -13.558 -5.083 2.086 287 1HG2 THR 35 1HG2 THR 35 -14.723 -2.175 2.502 288 2HG2 THR 35 2HG2 THR 35 -14.734 -2.794 4.152 289 3HG2 THR 35 3HG2 THR 35 -15.142 -3.859 2.807 290 H ASP 36 H ASP 36 -12.157 -4.859 0.475 291 HA ASP 36 HA ASP 36 -14.211 -4.084 -1.557 292 1HB ASP 36 2HB ASP 36 -11.538 -5.456 -1.950 293 2HB ASP 36 1HB ASP 36 -12.800 -5.442 -3.180 294 H LYS 37 H LYS 37 -15.898 -5.362 -0.806 295 HA LYS 37 HA LYS 37 -15.538 -7.993 0.307 296 1HB LYS 37 2HB LYS 37 -17.581 -6.249 0.361 297 2HB LYS 37 1HB LYS 37 -18.142 -7.285 -0.951 298 1HG LYS 37 2HG LYS 37 -18.996 -8.175 1.142 299 2HG LYS 37 1HG LYS 37 -17.760 -9.272 0.530 300 1HD LYS 37 2HD LYS 37 -16.205 -8.645 2.152 301 2HD LYS 37 1HD LYS 37 -16.959 -7.072 2.411 302 1HE LYS 37 2HE LYS 37 -17.520 -8.358 4.336 303 2HE LYS 37 1HE LYS 37 -18.973 -8.360 3.338 304 1HZ LYS 37 1HZ LYS 37 -18.294 -10.572 4.239 305 2HZ LYS 37 2HZ LYS 37 -16.927 -10.503 3.232 306 3HZ LYS 37 3HZ LYS 37 -18.484 -10.520 2.554 307 H ALA 38 H ALA 38 -14.101 -8.791 -1.486 308 HA ALA 38 HA ALA 38 -14.978 -9.257 -4.144 309 1HB ALA 38 1HB ALA 38 -13.214 -10.931 -4.243 310 2HB ALA 38 2HB ALA 38 -13.162 -11.031 -2.484 311 3HB ALA 38 3HB ALA 38 -12.635 -9.559 -3.298 312 H SER 39 H SER 39 -15.723 -10.926 -1.152 313 HA SER 39 HA SER 39 -16.752 -13.339 -2.374 314 1HB SER 39 2HB SER 39 -16.012 -13.020 0.065 315 2HB SER 39 1HB SER 39 -17.565 -12.230 0.319 316 HG SER 39 HG SER 39 -18.592 -14.095 -0.076 317 H GLY 40 H GLY 40 -17.943 -11.851 -4.038 318 1HA GLY 40 2HA GLY 40 -20.757 -11.586 -3.098 319 2HA GLY 40 1HA GLY 40 -20.020 -10.262 -4.001 320 H SER 41 H SER 41 -20.773 -10.301 -6.055 321 HA SER 41 HA SER 41 -21.773 -12.700 -7.329 322 1HB SER 41 2HB SER 41 -21.755 -11.189 -9.397 323 2HB SER 41 1HB SER 41 -22.733 -10.635 -8.041 324 HG SER 41 HG SER 41 -20.636 -9.451 -9.217 325 H SER 42 H SER 42 -18.695 -11.009 -7.288 326 HA SER 42 HA SER 42 -17.240 -13.281 -8.255 327 1HB SER 42 2HB SER 42 -18.161 -12.799 -10.428 328 2HB SER 42 1HB SER 42 -17.825 -11.079 -10.253 329 HG SER 42 HG SER 42 -16.166 -11.877 -11.440 330 H SER 43 H SER 43 -17.066 -9.717 -8.627 331 HA SER 43 HA SER 43 -14.641 -9.747 -6.891 332 1HB SER 43 2HB SER 43 -13.850 -7.856 -8.563 333 2HB SER 43 1HB SER 43 -13.547 -9.551 -8.933 334 HG SER 43 HG SER 43 -15.692 -7.927 -9.850 335 H ASP 44 H ASP 44 -14.100 -7.418 -6.212 336 HA ASP 44 HA ASP 44 -16.429 -5.593 -6.230 337 1HB ASP 44 2HB ASP 44 -16.370 -7.304 -4.185 338 2HB ASP 44 1HB ASP 44 -15.207 -6.136 -3.555 339 H ARG 45 H ARG 45 -14.244 -4.985 -7.600 340 HA ARG 45 HA ARG 45 -12.139 -3.703 -6.076 341 1HB ARG 45 2HB ARG 45 -11.959 -4.552 -8.464 342 2HB ARG 45 1HB ARG 45 -12.909 -3.148 -8.952 343 1HG ARG 45 2HG ARG 45 -11.188 -1.703 -7.776 344 2HG ARG 45 1HG ARG 45 -10.199 -3.154 -7.599 345 1HD ARG 45 2HD ARG 45 -10.478 -3.444 -10.143 346 2HD ARG 45 1HD ARG 45 -11.058 -1.778 -10.147 347 HE ARG 45 HE ARG 45 -8.840 -1.072 -9.829 348 1HH1 ARG 45 1HH2 ARG 45 -9.157 -4.433 -8.913 349 2HH1 ARG 45 2HH2 ARG 45 -7.457 -4.628 -8.662 350 1HH2 ARG 45 1HH1 ARG 45 -6.650 -1.368 -9.489 351 2HH2 ARG 45 2HH1 ARG 45 -6.051 -2.912 -8.982 352 H LYS 46 H LYS 46 -14.024 -2.611 -4.729 353 HA LYS 46 HA LYS 46 -14.811 -0.028 -6.003 354 1HB LYS 46 2HB LYS 46 -15.860 -1.355 -3.481 355 2HB LYS 46 1HB LYS 46 -16.468 0.144 -4.186 356 1HG LYS 46 2HG LYS 46 -16.626 -1.473 -6.349 357 2HG LYS 46 1HG LYS 46 -16.867 -2.663 -5.070 358 1HD LYS 46 2HD LYS 46 -18.431 -0.079 -5.329 359 2HD LYS 46 1HD LYS 46 -19.012 -1.658 -5.858 360 1HE LYS 46 2HE LYS 46 -18.287 -2.271 -3.327 361 2HE LYS 46 1HE LYS 46 -18.715 -0.575 -3.109 362 1HZ LYS 46 1HZ LYS 46 -20.685 -1.788 -2.791 363 2HZ LYS 46 2HZ LYS 46 -20.414 -2.761 -4.157 364 3HZ LYS 46 3HZ LYS 46 -20.819 -1.122 -4.345 365 H GLY 47 H GLY 47 -13.481 -1.385 -2.980 366 1HA GLY 47 2HA GLY 47 -12.875 1.065 -1.689 367 2HA GLY 47 1HA GLY 47 -12.010 -0.446 -1.410 368 H LEU 48 H LEU 48 -11.122 -0.732 -4.166 369 HA LEU 48 HA LEU 48 -8.763 1.000 -4.040 370 1HB LEU 48 2HB LEU 48 -8.619 -1.373 -4.773 371 2HB LEU 48 1HB LEU 48 -9.635 -0.993 -6.161 372 HG LEU 48 HG LEU 48 -7.171 0.648 -5.716 373 1HD1 LEU 48 1HD1 LEU 48 -5.866 -1.022 -7.025 374 2HD1 LEU 48 2HD1 LEU 48 -7.224 -2.143 -6.904 375 3HD1 LEU 48 3HD1 LEU 48 -6.359 -1.646 -5.450 376 1HD2 LEU 48 1HD2 LEU 48 -7.291 0.204 -8.339 377 2HD2 LEU 48 2HD2 LEU 48 -8.333 1.406 -7.578 378 3HD2 LEU 48 3HD2 LEU 48 -8.966 -0.195 -7.961 379 H ASP 49 H ASP 49 -11.558 0.588 -6.231 380 HA ASP 49 HA ASP 49 -10.828 2.625 -8.096 381 1HB ASP 49 2HB ASP 49 -12.845 0.822 -7.991 382 2HB ASP 49 1HB ASP 49 -13.718 2.269 -7.485 383 H LEU 50 H LEU 50 -12.528 2.723 -5.006 384 HA LEU 50 HA LEU 50 -13.200 5.556 -5.211 385 1HB LEU 50 2HB LEU 50 -13.091 3.781 -2.748 386 2HB LEU 50 1HB LEU 50 -13.915 5.335 -2.885 387 HG LEU 50 HG LEU 50 -14.628 3.223 -4.872 388 1HD1 LEU 50 1HD1 LEU 50 -15.805 1.875 -3.429 389 2HD1 LEU 50 2HD1 LEU 50 -16.106 3.184 -2.287 390 3HD1 LEU 50 3HD1 LEU 50 -14.535 2.385 -2.317 391 1HD2 LEU 50 1HD2 LEU 50 -16.027 5.452 -3.382 392 2HD2 LEU 50 2HD2 LEU 50 -16.916 4.263 -4.333 393 3HD2 LEU 50 3HD2 LEU 50 -15.739 5.317 -5.117 394 H LEU 51 H LEU 51 -10.517 3.638 -3.999 395 HA LEU 51 HA LEU 51 -9.266 5.677 -2.400 396 1HB LEU 51 2HB LEU 51 -8.759 3.042 -2.833 397 2HB LEU 51 1HB LEU 51 -7.529 3.758 -3.869 398 HG LEU 51 HG LEU 51 -6.822 5.181 -1.928 399 1HD1 LEU 51 1HD1 LEU 51 -7.591 4.182 0.336 400 2HD1 LEU 51 2HD1 LEU 51 -8.926 3.490 -0.586 401 3HD1 LEU 51 3HD1 LEU 51 -8.716 5.239 -0.515 402 1HD2 LEU 51 1HD2 LEU 51 -6.666 2.351 -0.987 403 2HD2 LEU 51 2HD2 LEU 51 -5.383 3.548 -1.155 404 3HD2 LEU 51 3HD2 LEU 51 -6.009 2.721 -2.581 405 H ARG 52 H ARG 52 -9.174 4.885 -5.843 406 HA ARG 52 HA ARG 52 -7.001 6.624 -6.544 407 1HB ARG 52 2HB ARG 52 -9.344 5.600 -8.170 408 2HB ARG 52 1HB ARG 52 -7.971 6.470 -8.854 409 1HG ARG 52 2HG ARG 52 -6.452 4.745 -8.313 410 2HG ARG 52 1HG ARG 52 -7.556 4.018 -7.147 411 1HD ARG 52 2HD ARG 52 -7.407 2.741 -9.300 412 2HD ARG 52 1HD ARG 52 -9.041 3.291 -8.925 413 HE ARG 52 HE ARG 52 -7.748 5.271 -10.526 414 1HH1 ARG 52 1HH2 ARG 52 -9.045 2.030 -10.749 415 2HH1 ARG 52 2HH2 ARG 52 -9.409 2.184 -12.432 416 1HH2 ARG 52 1HH1 ARG 52 -8.237 5.427 -12.703 417 2HH2 ARG 52 2HH1 ARG 52 -8.958 4.086 -13.528 418 H MET 53 H MET 53 -10.424 7.189 -5.991 419 HA MET 53 HA MET 53 -10.072 10.006 -6.888 420 1HB MET 53 2HB MET 53 -12.447 10.152 -7.109 421 2HB MET 53 1HB MET 53 -11.984 8.607 -7.809 422 1HG MET 53 2HG MET 53 -13.705 7.852 -6.493 423 2HG MET 53 1HG MET 53 -12.436 7.807 -5.275 424 1HE MET 53 1HE MET 53 -15.055 11.384 -6.156 425 2HE MET 53 2HE MET 53 -15.916 9.848 -6.238 426 3HE MET 53 3HE MET 53 -14.478 10.099 -7.226 427 H LYS 54 H LYS 54 -10.206 8.117 -4.037 428 HA LYS 54 HA LYS 54 -11.124 10.389 -2.364 429 1HB LYS 54 2HB LYS 54 -11.740 7.843 -2.058 430 2HB LYS 54 1HB LYS 54 -10.173 7.774 -1.253 431 1HG LYS 54 2HG LYS 54 -11.301 8.452 0.597 432 2HG LYS 54 1HG LYS 54 -11.278 10.047 -0.152 433 1HD LYS 54 2HD LYS 54 -13.440 8.215 -1.048 434 2HD LYS 54 1HD LYS 54 -13.564 8.814 0.607 435 1HE LYS 54 2HE LYS 54 -12.896 10.783 -1.538 436 2HE LYS 54 1HE LYS 54 -14.557 10.198 -1.447 437 1HZ LYS 54 1HZ LYS 54 -14.428 12.094 -0.076 438 2HZ LYS 54 2HZ LYS 54 -12.996 11.565 0.669 439 3HZ LYS 54 3HZ LYS 54 -14.463 10.765 0.976 440 H VAL 55 H VAL 55 -8.282 8.458 -3.092 441 HA VAL 55 HA VAL 55 -6.559 9.260 -1.027 442 HB VAL 55 HB VAL 55 -6.101 7.496 -2.716 443 1HG1 VAL 55 1HG1 VAL 55 -5.066 9.524 -4.639 444 2HG1 VAL 55 2HG1 VAL 55 -6.812 9.281 -4.597 445 3HG1 VAL 55 3HG1 VAL 55 -5.742 7.924 -4.944 446 1HG2 VAL 55 1HG2 VAL 55 -4.174 9.678 -2.070 447 2HG2 VAL 55 2HG2 VAL 55 -3.666 8.424 -3.202 448 3HG2 VAL 55 3HG2 VAL 55 -4.170 7.987 -1.569 449 H GLU 56 H GLU 56 -5.397 11.103 -0.605 450 HA GLU 56 HA GLU 56 -5.801 13.401 -2.467 451 1HB GLU 56 2HB GLU 56 -6.310 13.258 0.217 452 2HB GLU 56 1HB GLU 56 -4.674 13.911 0.224 453 1HG GLU 56 2HG GLU 56 -5.296 15.832 -0.969 454 2HG GLU 56 1HG GLU 56 -6.753 15.075 -1.614 455 H GLU 57 H GLU 57 -3.909 14.922 -2.622 456 HA GLU 57 HA GLU 57 -1.531 13.522 -3.397 457 1HB GLU 57 2HB GLU 57 -2.310 16.396 -3.079 458 2HB GLU 57 1HB GLU 57 -0.599 16.003 -3.255 459 1HG GLU 57 2HG GLU 57 -0.911 15.048 -5.386 460 2HG GLU 57 1HG GLU 57 -2.648 14.852 -5.143 461 H GLY 58 H GLY 58 -0.227 12.531 -1.946 462 1HA GLY 58 2HA GLY 58 1.511 12.658 -0.273 463 2HA GLY 58 1HA GLY 58 0.732 14.097 0.386 464 H ASP 59 H ASP 59 -1.260 11.341 -0.393 465 HA ASP 59 HA ASP 59 -1.898 11.043 2.476 466 1HB ASP 59 2HB ASP 59 -3.300 10.658 -0.027 467 2HB ASP 59 1HB ASP 59 -3.382 9.179 0.927 468 H VAL 60 H VAL 60 -1.893 8.910 3.496 469 HA VAL 60 HA VAL 60 0.213 7.133 2.327 470 HB VAL 60 HB VAL 60 0.155 6.141 4.750 471 1HG1 VAL 60 1HG1 VAL 60 1.905 7.654 3.535 472 2HG1 VAL 60 2HG1 VAL 60 2.004 7.451 5.285 473 3HG1 VAL 60 3HG1 VAL 60 1.292 8.915 4.604 474 1HG2 VAL 60 1HG2 VAL 60 -0.952 8.920 5.258 475 2HG2 VAL 60 2HG2 VAL 60 -0.448 7.760 6.485 476 3HG2 VAL 60 3HG2 VAL 60 -1.851 7.418 5.473 477 H ILE 61 H ILE 61 -0.402 5.179 1.616 478 HA ILE 61 HA ILE 61 -3.130 4.202 2.351 479 HB ILE 61 HB ILE 61 -1.490 3.709 -0.155 480 1HG1 ILE 61 2HG1 ILE 61 -4.141 5.103 -0.089 481 2HG1 ILE 61 1HG1 ILE 61 -2.700 6.006 0.385 482 1HG2 ILE 61 1HG2 ILE 61 -3.542 2.628 -1.009 483 2HG2 ILE 61 2HG2 ILE 61 -4.312 2.856 0.562 484 3HG2 ILE 61 3HG2 ILE 61 -2.919 1.784 0.410 485 1HD1 ILE 61 1HD1 ILE 61 -2.539 4.379 -2.101 486 2HD1 ILE 61 2HD1 ILE 61 -1.784 5.926 -1.727 487 3HD1 ILE 61 3HD1 ILE 61 -3.491 5.860 -2.169 488 H LEU 62 H LEU 62 -2.761 2.747 3.987 489 HA LEU 62 HA LEU 62 -0.409 0.999 3.980 490 1HB LEU 62 2HB LEU 62 -2.560 1.729 5.843 491 2HB LEU 62 1HB LEU 62 -2.153 0.015 5.908 492 HG LEU 62 HG LEU 62 -0.136 2.268 6.092 493 1HD1 LEU 62 1HD1 LEU 62 -1.759 0.831 8.123 494 2HD1 LEU 62 2HD1 LEU 62 -1.090 2.462 8.164 495 3HD1 LEU 62 3HD1 LEU 62 -0.054 1.076 8.502 496 1HD2 LEU 62 1HD2 LEU 62 1.224 0.253 7.028 497 2HD2 LEU 62 2HD2 LEU 62 0.997 0.359 5.281 498 3HD2 LEU 62 3HD2 LEU 62 0.003 -0.743 6.235 499 H VAL 63 H VAL 63 -0.378 -1.131 3.300 500 HA VAL 63 HA VAL 63 -2.977 -2.363 2.489 501 HB VAL 63 HB VAL 63 -0.410 -2.517 0.880 502 1HG1 VAL 63 1HG1 VAL 63 -1.748 -3.636 -0.767 503 2HG1 VAL 63 2HG1 VAL 63 -3.238 -3.271 0.103 504 3HG1 VAL 63 3HG1 VAL 63 -2.087 -4.428 0.772 505 1HG2 VAL 63 1HG2 VAL 63 -2.802 -0.699 0.732 506 2HG2 VAL 63 2HG2 VAL 63 -1.969 -1.163 -0.752 507 3HG2 VAL 63 3HG2 VAL 63 -1.096 -0.309 0.520 508 H LYS 64 H LYS 64 -3.207 -4.381 3.315 509 HA LYS 64 HA LYS 64 -1.029 -5.596 4.835 510 1HB LYS 64 2HB LYS 64 -3.595 -5.668 5.321 511 2HB LYS 64 1HB LYS 64 -3.610 -6.988 4.150 512 1HG LYS 64 2HG LYS 64 -1.505 -7.759 5.659 513 2HG LYS 64 1HG LYS 64 -2.438 -6.893 6.881 514 1HD LYS 64 2HD LYS 64 -4.446 -8.235 6.223 515 2HD LYS 64 1HD LYS 64 -3.419 -9.170 5.136 516 1HE LYS 64 2HE LYS 64 -2.125 -10.036 6.944 517 2HE LYS 64 1HE LYS 64 -2.802 -8.869 8.081 518 1HZ LYS 64 1HZ LYS 64 -3.897 -10.921 8.441 519 2HZ LYS 64 2HZ LYS 64 -4.191 -11.146 6.783 520 3HZ LYS 64 3HZ LYS 64 -5.005 -9.922 7.635 521 H LYS 65 H LYS 65 -0.025 -7.618 4.339 522 HA LYS 65 HA LYS 65 0.181 -8.148 1.449 523 1HB LYS 65 2HB LYS 65 2.041 -8.160 3.432 524 2HB LYS 65 1HB LYS 65 1.639 -9.876 3.369 525 1HG LYS 65 2HG LYS 65 2.389 -8.210 0.949 526 2HG LYS 65 1HG LYS 65 3.512 -9.250 1.827 527 1HD LYS 65 2HD LYS 65 2.151 -11.213 1.328 528 2HD LYS 65 1HD LYS 65 0.936 -10.203 0.543 529 1HE LYS 65 2HE LYS 65 2.114 -10.788 -1.336 530 2HE LYS 65 1HE LYS 65 3.111 -9.418 -0.845 531 1HZ LYS 65 1HZ LYS 65 4.707 -10.797 0.068 532 2HZ LYS 65 2HZ LYS 65 4.242 -11.652 -1.325 533 3HZ LYS 65 3HZ LYS 65 3.655 -12.121 0.200 534 H LEU 66 H LEU 66 -2.301 -8.826 1.938 535 HA LEU 66 HA LEU 66 -2.810 -11.414 3.050 536 1HB LEU 66 2HB LEU 66 -4.277 -9.391 1.556 537 2HB LEU 66 1HB LEU 66 -4.706 -11.003 1.001 538 HG LEU 66 HG LEU 66 -4.750 -10.057 3.886 539 1HD1 LEU 66 1HD1 LEU 66 -6.551 -9.216 2.250 540 2HD1 LEU 66 2HD1 LEU 66 -7.119 -10.026 3.709 541 3HD1 LEU 66 3HD1 LEU 66 -7.094 -10.891 2.171 542 1HD2 LEU 66 1HD2 LEU 66 -5.300 -12.717 2.565 543 2HD2 LEU 66 2HD2 LEU 66 -6.041 -12.295 4.108 544 3HD2 LEU 66 3HD2 LEU 66 -4.286 -12.377 3.968 545 H ASP 67 H ASP 67 -4.112 -12.841 0.969 546 HA ASP 67 HA ASP 67 -2.070 -14.425 -0.107 547 1HB ASP 67 2HB ASP 67 -4.767 -13.894 -1.389 548 2HB ASP 67 1HB ASP 67 -3.745 -15.309 -1.647 549 H ARG 68 H ARG 68 -3.703 -11.653 -1.678 550 HA ARG 68 HA ARG 68 -1.358 -10.865 -3.118 551 1HB ARG 68 2HB ARG 68 -2.079 -13.058 -4.299 552 2HB ARG 68 1HB ARG 68 -3.418 -12.105 -4.938 553 1HG ARG 68 2HG ARG 68 -2.042 -10.789 -6.244 554 2HG ARG 68 1HG ARG 68 -0.669 -10.952 -5.148 555 1HD ARG 68 2HD ARG 68 -1.621 -13.431 -6.501 556 2HD ARG 68 1HD ARG 68 -0.777 -12.247 -7.499 557 HE ARG 68 HE ARG 68 0.726 -12.647 -5.111 558 1HH1 ARG 68 1HH2 ARG 68 -0.200 -14.347 -8.024 559 2HH1 ARG 68 2HH2 ARG 68 1.222 -15.330 -8.022 560 1HH2 ARG 68 1HH1 ARG 68 2.550 -13.941 -5.147 561 2HH2 ARG 68 2HH1 ARG 68 2.764 -15.105 -6.412 562 H LEU 69 H LEU 69 -1.695 -8.890 -4.215 563 HA LEU 69 HA LEU 69 -3.831 -7.240 -3.367 564 1HB LEU 69 2HB LEU 69 -1.805 -7.094 -5.587 565 2HB LEU 69 1HB LEU 69 -3.054 -5.863 -5.458 566 HG LEU 69 HG LEU 69 -0.738 -5.493 -4.291 567 1HD1 LEU 69 1HD1 LEU 69 -3.181 -5.029 -2.589 568 2HD1 LEU 69 2HD1 LEU 69 -2.919 -4.162 -4.104 569 3HD1 LEU 69 3HD1 LEU 69 -1.765 -3.994 -2.782 570 1HD2 LEU 69 1HD2 LEU 69 -0.668 -6.245 -1.944 571 2HD2 LEU 69 2HD2 LEU 69 -0.684 -7.625 -3.043 572 3HD2 LEU 69 3HD2 LEU 69 -2.155 -7.161 -2.189 573 H GLY 70 H GLY 70 -3.315 -8.597 -6.652 574 1HA GLY 70 2HA GLY 70 -6.281 -8.726 -6.954 575 2HA GLY 70 1HA GLY 70 -5.309 -7.965 -8.213 576 H ARG 71 H ARG 71 -5.582 -9.428 -9.877 577 HA ARG 71 HA ARG 71 -4.943 -12.290 -9.318 578 1HB ARG 71 2HB ARG 71 -7.074 -11.172 -10.687 579 2HB ARG 71 1HB ARG 71 -5.982 -11.627 -11.992 580 1HG ARG 71 2HG ARG 71 -5.835 -13.917 -11.062 581 2HG ARG 71 1HG ARG 71 -6.949 -13.459 -9.775 582 1HD ARG 71 2HD ARG 71 -8.405 -12.663 -11.897 583 2HD ARG 71 1HD ARG 71 -7.491 -13.967 -12.657 584 HE ARG 71 HE ARG 71 -8.477 -14.981 -10.214 585 1HH1 ARG 71 1HH2 ARG 71 -9.740 -13.757 -13.237 586 2HH1 ARG 71 2HH2 ARG 71 -11.170 -14.723 -13.147 587 1HH2 ARG 71 1HH1 ARG 71 -10.343 -16.216 -10.139 588 2HH2 ARG 71 2HH1 ARG 71 -11.510 -16.101 -11.414 589 H ASP 72 H ASP 72 -4.263 -13.050 -11.934 590 HA ASP 72 HA ASP 72 -1.489 -12.262 -12.038 591 1HB ASP 72 2HB ASP 72 -1.467 -13.589 -14.164 592 2HB ASP 72 1HB ASP 72 -2.162 -14.473 -12.804 593 H THR 73 H THR 73 -1.908 -9.881 -12.170 594 HA THR 73 HA THR 73 -1.698 -8.976 -14.939 595 HB THR 73 HB THR 73 -3.862 -7.550 -13.474 596 HG1 THR 73 1HG THR 73 -5.360 -9.075 -13.903 597 1HG2 THR 73 1HG2 THR 73 -2.776 -7.479 -16.021 598 2HG2 THR 73 2HG2 THR 73 -4.320 -6.775 -15.547 599 3HG2 THR 73 3HG2 THR 73 -4.267 -8.389 -16.250 600 H ALA 74 H ALA 74 -1.965 -6.288 -14.640 601 HA ALA 74 HA ALA 74 0.151 -5.665 -12.667 602 1HB ALA 74 1HB ALA 74 0.410 -4.883 -15.005 603 2HB ALA 74 2HB ALA 74 0.324 -3.529 -13.878 604 3HB ALA 74 3HB ALA 74 -1.083 -3.958 -14.851 605 H ASP 75 H ASP 75 -2.252 -6.248 -11.431 606 HA ASP 75 HA ASP 75 -3.804 -3.820 -10.954 607 1HB ASP 75 2HB ASP 75 -3.757 -6.550 -9.637 608 2HB ASP 75 1HB ASP 75 -4.826 -5.249 -9.111 609 H MET 76 H MET 76 -1.459 -5.766 -9.097 610 HA MET 76 HA MET 76 -1.396 -4.096 -6.780 611 1HB MET 76 2HB MET 76 -0.432 -6.370 -6.832 612 2HB MET 76 1HB MET 76 0.797 -5.828 -7.967 613 1HG MET 76 2HG MET 76 0.664 -4.140 -5.573 614 2HG MET 76 1HG MET 76 1.027 -5.821 -5.191 615 1HE MET 76 1HE MET 76 3.727 -6.813 -7.441 616 2HE MET 76 2HE MET 76 2.383 -7.185 -6.365 617 3HE MET 76 3HE MET 76 3.944 -6.731 -5.688 618 H ILE 77 H ILE 77 0.461 -4.028 -9.806 619 HA ILE 77 HA ILE 77 2.065 -1.737 -8.958 620 HB ILE 77 HB ILE 77 1.693 -2.954 -11.713 621 1HG1 ILE 77 2HG1 ILE 77 4.192 -3.665 -10.834 622 2HG1 ILE 77 1HG1 ILE 77 3.275 -3.717 -9.329 623 1HG2 ILE 77 1HG2 ILE 77 3.862 -1.133 -10.615 624 2HG2 ILE 77 2HG2 ILE 77 2.590 -0.638 -11.733 625 3HG2 ILE 77 3HG2 ILE 77 3.804 -1.810 -12.244 626 1HD1 ILE 77 1HD1 ILE 77 3.185 -5.530 -11.620 627 2HD1 ILE 77 2HD1 ILE 77 1.583 -4.950 -11.170 628 3HD1 ILE 77 3HD1 ILE 77 2.590 -5.770 -9.978 629 H GLN 78 H GLN 78 -1.030 -2.195 -10.491 630 HA GLN 78 HA GLN 78 -1.212 0.232 -11.962 631 1HB GLN 78 2HB GLN 78 -2.992 -1.876 -11.126 632 2HB GLN 78 1HB GLN 78 -3.775 -0.323 -10.842 633 1HG GLN 78 2HG GLN 78 -2.428 -1.045 -13.458 634 2HG GLN 78 1HG GLN 78 -4.148 -1.298 -13.152 635 1HE2 GLN 78 1HE2 GLN 78 -1.900 0.980 -14.297 636 2HE2 GLN 78 2HE2 GLN 78 -2.882 2.362 -14.199 637 H LEU 79 H LEU 79 -3.006 -0.250 -8.905 638 HA LEU 79 HA LEU 79 -3.127 2.552 -8.413 639 1HB LEU 79 2HB LEU 79 -4.157 2.070 -6.330 640 2HB LEU 79 1HB LEU 79 -4.690 0.824 -7.440 641 HG LEU 79 HG LEU 79 -4.228 -0.282 -5.403 642 1HD1 LEU 79 1HD1 LEU 79 -2.351 -1.771 -5.901 643 2HD1 LEU 79 2HD1 LEU 79 -1.769 -0.642 -7.117 644 3HD1 LEU 79 3HD1 LEU 79 -3.311 -1.457 -7.344 645 1HD2 LEU 79 1HD2 LEU 79 -2.473 1.812 -4.898 646 2HD2 LEU 79 2HD2 LEU 79 -1.419 0.404 -4.999 647 3HD2 LEU 79 3HD2 LEU 79 -2.759 0.420 -3.854 648 H ILE 80 H ILE 80 -0.473 0.432 -7.987 649 HA ILE 80 HA ILE 80 0.752 2.035 -5.852 650 HB ILE 80 HB ILE 80 1.667 -0.343 -7.494 651 1HG1 ILE 80 2HG1 ILE 80 1.236 0.112 -4.523 652 2HG1 ILE 80 1HG1 ILE 80 0.115 -0.713 -5.601 653 1HG2 ILE 80 1HG2 ILE 80 3.744 -0.316 -6.069 654 2HG2 ILE 80 2HG2 ILE 80 3.289 1.294 -5.512 655 3HG2 ILE 80 3HG2 ILE 80 3.666 1.024 -7.213 656 1HD1 ILE 80 1HD1 ILE 80 2.156 -2.242 -6.159 657 2HD1 ILE 80 2HD1 ILE 80 1.298 -2.495 -4.638 658 3HD1 ILE 80 3HD1 ILE 80 2.826 -1.615 -4.654 659 H LYS 81 H LYS 81 0.775 1.801 -9.362 660 HA LYS 81 HA LYS 81 3.014 3.716 -9.554 661 1HB LYS 81 2HB LYS 81 3.200 2.043 -11.202 662 2HB LYS 81 1HB LYS 81 1.466 1.992 -11.483 663 1HG LYS 81 2HG LYS 81 2.949 4.514 -12.132 664 2HG LYS 81 1HG LYS 81 3.072 3.145 -13.239 665 1HD LYS 81 2HD LYS 81 0.318 3.490 -12.416 666 2HD LYS 81 1HD LYS 81 0.947 5.006 -13.040 667 1HE LYS 81 2HE LYS 81 1.658 2.595 -14.607 668 2HE LYS 81 1HE LYS 81 -0.051 3.032 -14.619 669 1HZ LYS 81 1HZ LYS 81 0.652 5.320 -15.214 670 2HZ LYS 81 2HZ LYS 81 1.024 4.164 -16.400 671 3HZ LYS 81 3HZ LYS 81 2.243 4.756 -15.376 672 H GLU 82 H GLU 82 -0.486 3.496 -9.955 673 HA GLU 82 HA GLU 82 -0.898 6.061 -11.173 674 1HB GLU 82 2HB GLU 82 -2.526 3.937 -10.431 675 2HB GLU 82 1HB GLU 82 -3.011 5.205 -9.300 676 1HG GLU 82 2HG GLU 82 -3.579 6.702 -11.064 677 2HG GLU 82 1HG GLU 82 -2.754 5.713 -12.270 678 H PHE 83 H PHE 83 -0.869 4.993 -7.772 679 HA PHE 83 HA PHE 83 -1.275 7.681 -6.739 680 1HB PHE 83 2HB PHE 83 -0.193 5.224 -5.328 681 2HB PHE 83 1HB PHE 83 -0.821 6.671 -4.555 682 HD1 PHE 83 1HD PHE 83 -3.070 6.735 -7.000 683 HD2 PHE 83 2HD PHE 83 -1.878 3.997 -3.910 684 HE1 PHE 83 1HE PHE 83 -5.332 5.740 -7.002 685 HE2 PHE 83 2HE PHE 83 -4.149 3.011 -3.913 686 HZ PHE 83 HZ PHE 83 -5.877 3.883 -5.457 687 H ASP 84 H ASP 84 1.476 5.772 -7.732 688 HA ASP 84 HA ASP 84 3.550 7.082 -6.289 689 1HB ASP 84 2HB ASP 84 3.836 5.021 -7.688 690 2HB ASP 84 1HB ASP 84 3.674 6.015 -9.130 691 H ALA 85 H ALA 85 2.253 7.749 -9.543 692 HA ALA 85 HA ALA 85 3.782 10.181 -9.886 693 1HB ALA 85 1HB ALA 85 1.245 9.789 -11.394 694 2HB ALA 85 2HB ALA 85 2.496 8.566 -11.608 695 3HB ALA 85 3HB ALA 85 2.841 10.254 -11.981 696 H GLN 86 H GLN 86 0.803 9.443 -8.253 697 HA GLN 86 HA GLN 86 -0.265 12.149 -8.425 698 1HB GLN 86 2HB GLN 86 -1.124 9.547 -7.417 699 2HB GLN 86 1HB GLN 86 -1.546 10.852 -6.312 700 1HG GLN 86 2HG GLN 86 -2.264 12.007 -8.642 701 2HG GLN 86 1HG GLN 86 -2.520 10.314 -9.069 702 1HE2 GLN 86 1HE2 GLN 86 -4.649 12.317 -8.662 703 2HE2 GLN 86 2HE2 GLN 86 -5.592 11.765 -7.364 704 H GLY 87 H GLY 87 2.369 11.000 -6.775 705 1HA GLY 87 2HA GLY 87 3.618 11.970 -5.038 706 2HA GLY 87 1HA GLY 87 2.423 13.268 -4.979 707 H VAL 88 H VAL 88 1.592 9.873 -4.679 708 HA VAL 88 HA VAL 88 0.772 10.395 -1.852 709 HB VAL 88 HB VAL 88 -0.346 8.462 -3.905 710 1HG1 VAL 88 1HG1 VAL 88 -0.406 7.621 -1.520 711 2HG1 VAL 88 2HG1 VAL 88 -1.996 7.845 -2.247 712 3HG1 VAL 88 3HG1 VAL 88 -1.371 9.040 -1.109 713 1HG2 VAL 88 1HG2 VAL 88 -1.344 11.043 -2.686 714 2HG2 VAL 88 2HG2 VAL 88 -2.398 9.926 -3.554 715 3HG2 VAL 88 3HG2 VAL 88 -1.052 10.701 -4.391 716 H SER 89 H SER 89 1.144 8.696 -0.316 717 HA SER 89 HA SER 89 3.366 6.875 -1.114 718 1HB SER 89 2HB SER 89 2.803 8.481 1.297 719 2HB SER 89 1HB SER 89 3.370 6.846 1.624 720 HG SER 89 HG SER 89 4.673 9.005 0.508 721 H ILE 90 H ILE 90 3.210 4.677 -0.651 722 HA ILE 90 HA ILE 90 0.608 3.759 0.507 723 HB ILE 90 HB ILE 90 2.228 2.390 -1.667 724 1HG1 ILE 90 2HG1 ILE 90 -0.409 3.894 -1.808 725 2HG1 ILE 90 1HG1 ILE 90 1.127 4.468 -2.453 726 1HG2 ILE 90 1HG2 ILE 90 0.903 0.919 -0.100 727 2HG2 ILE 90 2HG2 ILE 90 0.369 0.835 -1.779 728 3HG2 ILE 90 3HG2 ILE 90 -0.550 1.780 -0.606 729 1HD1 ILE 90 1HD1 ILE 90 -0.607 2.216 -3.422 730 2HD1 ILE 90 2HD1 ILE 90 1.126 2.179 -3.742 731 3HD1 ILE 90 3HD1 ILE 90 0.145 3.515 -4.346 732 H ARG 91 H ARG 91 1.239 3.204 2.547 733 HA ARG 91 HA ARG 91 3.827 1.978 3.102 734 1HB ARG 91 2HB ARG 91 1.381 2.278 4.866 735 2HB ARG 91 1HB ARG 91 3.006 1.874 5.417 736 1HG ARG 91 2HG ARG 91 3.542 4.128 4.026 737 2HG ARG 91 1HG ARG 91 1.894 4.484 4.541 738 1HD ARG 91 2HD ARG 91 2.448 4.493 6.788 739 2HD ARG 91 1HD ARG 91 3.797 3.381 6.568 740 HE ARG 91 HE ARG 91 4.380 5.834 5.218 741 1HH1 ARG 91 1HH2 ARG 91 4.068 4.506 8.439 742 2HH1 ARG 91 2HH2 ARG 91 5.178 5.642 9.122 743 1HH2 ARG 91 1HH1 ARG 91 5.808 7.283 6.144 744 2HH2 ARG 91 2HH1 ARG 91 6.154 7.199 7.839 745 H PHE 92 H PHE 92 4.138 -0.187 3.869 746 HA PHE 92 HA PHE 92 1.900 -2.068 3.239 747 1HB PHE 92 2HB PHE 92 4.776 -2.118 2.386 748 2HB PHE 92 1HB PHE 92 3.939 -3.646 2.655 749 HD1 PHE 92 1HD PHE 92 4.102 -0.608 0.585 750 HD2 PHE 92 2HD PHE 92 2.028 -4.307 1.271 751 HE1 PHE 92 1HE PHE 92 2.993 -0.397 -1.623 752 HE2 PHE 92 2HE PHE 92 0.919 -4.095 -0.937 753 HZ PHE 92 HZ PHE 92 1.402 -2.139 -2.383 754 H ILE 93 H ILE 93 1.627 -3.749 4.697 755 HA ILE 93 HA ILE 93 2.644 -3.425 7.350 756 HB ILE 93 HB ILE 93 0.486 -4.552 6.635 757 1HG1 ILE 93 2HG1 ILE 93 1.464 -4.667 8.951 758 2HG1 ILE 93 1HG1 ILE 93 0.425 -6.024 8.536 759 1HG2 ILE 93 1HG2 ILE 93 0.577 -6.970 6.134 760 2HG2 ILE 93 2HG2 ILE 93 2.337 -6.882 6.073 761 3HG2 ILE 93 3HG2 ILE 93 1.370 -6.008 4.886 762 1HD1 ILE 93 1HD1 ILE 93 2.947 -6.896 7.744 763 2HD1 ILE 93 2HD1 ILE 93 2.129 -7.337 9.238 764 3HD1 ILE 93 3HD1 ILE 93 3.273 -5.997 9.224 765 H ASP 94 H ASP 94 3.774 -5.268 4.586 766 HA ASP 94 HA ASP 94 5.488 -7.147 5.763 767 1HB ASP 94 2HB ASP 94 5.822 -5.495 3.251 768 2HB ASP 94 1HB ASP 94 6.926 -6.800 3.694 769 H ASP 95 H ASP 95 5.856 -3.670 5.629 770 HA ASP 95 HA ASP 95 8.070 -3.781 7.516 771 1HB ASP 95 2HB ASP 95 8.921 -4.092 4.983 772 2HB ASP 95 1HB ASP 95 8.834 -2.331 5.028 773 H GLY 96 H GLY 96 6.930 -1.518 4.979 774 1HA GLY 96 2HA GLY 96 5.287 0.214 6.162 775 2HA GLY 96 1HA GLY 96 6.768 0.616 7.031 776 H ILE 97 H ILE 97 8.383 -0.022 4.557 777 HA ILE 97 HA ILE 97 8.499 2.633 3.478 778 HB ILE 97 HB ILE 97 9.594 0.060 2.298 779 1HG1 ILE 97 2HG1 ILE 97 11.078 2.036 4.035 780 2HG1 ILE 97 1HG1 ILE 97 10.210 0.674 4.737 781 1HG2 ILE 97 1HG2 ILE 97 9.688 1.845 0.680 782 2HG2 ILE 97 2HG2 ILE 97 11.308 1.670 1.356 783 3HG2 ILE 97 3HG2 ILE 97 10.264 2.987 1.893 784 1HD1 ILE 97 1HD1 ILE 97 11.608 -0.910 3.737 785 2HD1 ILE 97 2HD1 ILE 97 12.739 0.389 4.117 786 3HD1 ILE 97 3HD1 ILE 97 12.128 0.204 2.473 787 H SER 98 H SER 98 8.141 3.156 1.142 788 HA SER 98 HA SER 98 5.480 2.526 0.314 789 1HB SER 98 2HB SER 98 7.140 4.493 -0.357 790 2HB SER 98 1HB SER 98 7.515 3.412 -1.695 791 HG SER 98 HG SER 98 5.384 4.986 -1.346 792 H THR 99 H THR 99 5.722 1.942 -2.444 793 HA THR 99 HA THR 99 6.013 -0.937 -2.351 794 HB THR 99 HB THR 99 4.380 0.097 -3.850 795 HG1 THR 99 1HG THR 99 6.495 -1.018 -5.370 796 1HG2 THR 99 1HG2 THR 99 5.022 2.093 -4.714 797 2HG2 THR 99 2HG2 THR 99 5.770 1.129 -5.986 798 3HG2 THR 99 3HG2 THR 99 6.737 1.687 -4.622 799 H ASP 100 H ASP 100 8.349 -0.641 -1.502 800 HA ASP 100 HA ASP 100 10.429 0.178 -3.312 801 1HB ASP 100 2HB ASP 100 10.692 -0.021 -0.825 802 2HB ASP 100 1HB ASP 100 10.631 -1.776 -1.002 803 H GLY 101 H GLY 101 9.691 -0.947 -5.277 804 1HA GLY 101 2HA GLY 101 11.172 -3.091 -6.118 805 2HA GLY 101 1HA GLY 101 9.792 -3.871 -5.343 806 H GLU 102 H GLU 102 9.936 -0.876 -7.272 807 HA GLU 102 HA GLU 102 8.041 -2.162 -9.198 808 1HB GLU 102 2HB GLU 102 7.096 0.167 -9.513 809 2HB GLU 102 1HB GLU 102 6.781 -0.546 -7.933 810 1HG GLU 102 2HG GLU 102 8.102 0.961 -6.841 811 2HG GLU 102 1HG GLU 102 9.304 0.993 -8.131 812 H MET 103 H MET 103 9.931 -2.694 -10.504 813 HA MET 103 HA MET 103 10.683 -0.476 -12.286 814 1HB MET 103 2HB MET 103 12.738 -2.065 -10.719 815 2HB MET 103 1HB MET 103 13.121 -1.006 -12.078 816 1HG MET 103 2HG MET 103 11.864 0.826 -10.765 817 2HG MET 103 1HG MET 103 12.007 -0.254 -9.376 818 1HE MET 103 1HE MET 103 13.396 1.548 -12.130 819 2HE MET 103 2HE MET 103 14.964 0.769 -12.314 820 3HE MET 103 3HE MET 103 14.857 2.343 -11.529 821 H GLY 104 H GLY 104 11.264 -1.221 -14.353 822 1HA GLY 104 2HA GLY 104 11.712 -4.091 -14.812 823 2HA GLY 104 1HA GLY 104 10.201 -3.460 -15.468 824 H LYS 105 H LYS 105 13.629 -2.412 -15.350 825 HA LYS 105 HA LYS 105 13.757 -2.328 -18.274 826 1HB LYS 105 2HB LYS 105 13.421 0.139 -16.621 827 2HB LYS 105 1HB LYS 105 14.549 0.204 -17.976 828 1HG LYS 105 2HG LYS 105 12.486 -1.012 -19.206 829 2HG LYS 105 1HG LYS 105 11.589 -0.102 -17.990 830 1HD LYS 105 2HD LYS 105 11.744 1.383 -19.827 831 2HD LYS 105 1HD LYS 105 13.009 1.924 -18.725 832 1HE LYS 105 2HE LYS 105 14.714 1.142 -20.074 833 2HE LYS 105 1HE LYS 105 13.725 -0.151 -20.752 834 1HZ LYS 105 1HZ LYS 105 12.697 1.286 -22.216 835 2HZ LYS 105 2HZ LYS 105 14.290 1.876 -22.203 836 3HZ LYS 105 3HZ LYS 105 13.081 2.669 -21.313 Start of MODEL 12 1 1H MET 1 1HT MET 1 -3.792 15.147 5.177 2 HA MET 1 HA MET 1 -2.180 13.387 4.528 3 1HB MET 1 2HB MET 1 -0.445 14.421 6.170 4 2HB MET 1 1HB MET 1 -1.300 13.498 7.408 5 1HG MET 1 2HG MET 1 -1.030 11.494 5.758 6 2HG MET 1 1HG MET 1 0.231 12.484 5.023 7 1HE MET 1 1HE MET 1 0.768 9.568 8.111 8 2HE MET 1 2HE MET 1 1.128 9.581 6.386 9 3HE MET 1 3HE MET 1 -0.525 9.847 6.936 10 H ARG 2 H ARG 2 -3.216 11.430 4.703 11 HA ARG 2 HA ARG 2 -4.972 10.990 7.079 12 1HB ARG 2 2HB ARG 2 -5.875 10.086 4.355 13 2HB ARG 2 1HB ARG 2 -6.839 10.406 5.793 14 1HG ARG 2 2HG ARG 2 -5.429 12.519 4.131 15 2HG ARG 2 1HG ARG 2 -7.154 12.162 4.069 16 1HD ARG 2 2HD ARG 2 -6.250 12.601 6.809 17 2HD ARG 2 1HD ARG 2 -5.908 13.990 5.778 18 HE ARG 2 HE ARG 2 -8.574 13.134 5.265 19 1HH1 ARG 2 1HH2 ARG 2 -6.663 14.598 7.801 20 2HH1 ARG 2 2HH2 ARG 2 -8.014 15.452 8.463 21 1HH2 ARG 2 1HH1 ARG 2 -10.295 14.255 6.155 22 2HH2 ARG 2 2HH1 ARG 2 -10.047 15.261 7.543 23 H LEU 3 H LEU 3 -5.602 8.641 7.269 24 HA LEU 3 HA LEU 3 -3.348 6.911 6.331 25 1HB LEU 3 2HB LEU 3 -5.131 6.558 8.762 26 2HB LEU 3 1HB LEU 3 -3.759 5.542 8.322 27 HG LEU 3 HG LEU 3 -2.549 7.961 8.299 28 1HD1 LEU 3 1HD1 LEU 3 -4.414 8.192 10.655 29 2HD1 LEU 3 2HD1 LEU 3 -4.851 8.888 9.094 30 3HD1 LEU 3 3HD1 LEU 3 -3.397 9.434 9.926 31 1HD2 LEU 3 1HD2 LEU 3 -3.039 6.015 10.556 32 2HD2 LEU 3 2HD2 LEU 3 -1.980 7.408 10.769 33 3HD2 LEU 3 3HD2 LEU 3 -1.601 6.190 9.551 34 H PHE 4 H PHE 4 -4.579 6.540 4.327 35 HA PHE 4 HA PHE 4 -7.168 5.176 4.500 36 1HB PHE 4 2HB PHE 4 -5.297 5.878 2.234 37 2HB PHE 4 1HB PHE 4 -6.722 4.871 1.978 38 HD1 PHE 4 1HD PHE 4 -5.487 8.242 2.620 39 HD2 PHE 4 2HD PHE 4 -8.998 5.773 2.457 40 HE1 PHE 4 1HE PHE 4 -6.910 10.271 2.530 41 HE2 PHE 4 2HE PHE 4 -10.422 7.802 2.367 42 HZ PHE 4 HZ PHE 4 -9.378 10.052 2.404 43 H GLY 5 H GLY 5 -7.520 2.960 4.126 44 1HA GLY 5 2HA GLY 5 -5.090 1.253 3.830 45 2HA GLY 5 1HA GLY 5 -6.275 0.897 5.084 46 H TYR 6 H TYR 6 -5.353 -0.423 2.412 47 HA TYR 6 HA TYR 6 -8.011 -0.688 1.100 48 1HB TYR 6 2HB TYR 6 -6.042 -0.232 -0.341 49 2HB TYR 6 1HB TYR 6 -5.275 -1.703 0.251 50 HD1 TYR 6 1HD TYR 6 -5.526 -3.643 -0.996 51 HD2 TYR 6 2HD TYR 6 -8.533 -0.591 -1.263 52 HE1 TYR 6 1HE TYR 6 -6.720 -4.975 -2.715 53 HE2 TYR 6 2HE TYR 6 -9.729 -1.921 -2.984 54 HH TYR 6 HH TYR 6 -8.993 -3.762 -4.725 55 H ALA 7 H ALA 7 -9.042 -2.724 0.967 56 HA ALA 7 HA ALA 7 -7.749 -5.054 2.257 57 1HB ALA 7 1HB ALA 7 -10.251 -5.173 3.413 58 2HB ALA 7 2HB ALA 7 -9.894 -3.447 3.479 59 3HB ALA 7 3HB ALA 7 -8.792 -4.602 4.226 60 H ARG 8 H ARG 8 -9.118 -7.034 1.981 61 HA ARG 8 HA ARG 8 -11.315 -6.992 0.070 62 1HB ARG 8 2HB ARG 8 -9.344 -6.729 -1.443 63 2HB ARG 8 1HB ARG 8 -8.679 -8.228 -0.793 64 1HG ARG 8 2HG ARG 8 -10.077 -9.518 -2.028 65 2HG ARG 8 1HG ARG 8 -11.470 -8.495 -1.680 66 1HD ARG 8 2HD ARG 8 -11.121 -8.288 -4.022 67 2HD ARG 8 1HD ARG 8 -10.448 -6.813 -3.328 68 HE ARG 8 HE ARG 8 -8.307 -8.596 -3.420 69 1HH1 ARG 8 1HH2 ARG 8 -10.558 -7.245 -5.731 70 2HH1 ARG 8 2HH2 ARG 8 -9.427 -7.333 -7.035 71 1HH2 ARG 8 1HH1 ARG 8 -6.877 -8.693 -5.136 72 2HH2 ARG 8 2HH1 ARG 8 -7.365 -8.145 -6.704 73 H VAL 9 H VAL 9 -12.555 -8.396 1.234 74 HA VAL 9 HA VAL 9 -11.610 -10.402 2.980 75 HB VAL 9 HB VAL 9 -13.897 -11.301 2.931 76 1HG1 VAL 9 1HG1 VAL 9 -14.886 -9.427 3.894 77 2HG1 VAL 9 2HG1 VAL 9 -14.234 -8.330 2.675 78 3HG1 VAL 9 3HG1 VAL 9 -13.184 -8.970 3.939 79 1HG2 VAL 9 1HG2 VAL 9 -15.008 -11.272 0.964 80 2HG2 VAL 9 2HG2 VAL 9 -13.861 -10.128 0.269 81 3HG2 VAL 9 3HG2 VAL 9 -15.246 -9.540 1.187 82 H SER 10 H SER 10 -11.049 -12.516 2.743 83 HA SER 10 HA SER 10 -11.053 -13.620 -0.037 84 1HB SER 10 2HB SER 10 -8.787 -13.207 0.921 85 2HB SER 10 1HB SER 10 -9.178 -14.291 2.253 86 HG SER 10 HG SER 10 -8.312 -14.882 -0.210 87 H THR 11 H THR 11 -11.656 -14.282 3.382 88 HA THR 11 HA THR 11 -12.669 -16.990 2.725 89 HB THR 11 HB THR 11 -11.250 -16.801 4.717 90 HG1 THR 11 1HG THR 11 -12.849 -18.311 4.903 91 1HG2 THR 11 1HG2 THR 11 -13.312 -14.757 5.570 92 2HG2 THR 11 2HG2 THR 11 -11.579 -14.509 5.353 93 3HG2 THR 11 3HG2 THR 11 -12.167 -15.497 6.689 94 H SER 12 H SER 12 -14.764 -17.383 4.356 95 HA SER 12 HA SER 12 -16.689 -15.175 3.746 96 1HB SER 12 2HB SER 12 -16.809 -18.070 3.053 97 2HB SER 12 1HB SER 12 -18.309 -17.315 3.584 98 HG SER 12 HG SER 12 -18.027 -17.107 1.335 99 H GLN 13 H GLN 13 -16.524 -14.487 5.956 100 HA GLN 13 HA GLN 13 -18.421 -15.667 7.742 101 1HB GLN 13 2HB GLN 13 -16.496 -17.344 7.884 102 2HB GLN 13 1HB GLN 13 -15.559 -16.058 8.646 103 1HG GLN 13 2HG GLN 13 -16.461 -16.933 10.560 104 2HG GLN 13 1HG GLN 13 -17.820 -15.897 10.120 105 1HE2 GLN 13 1HE2 GLN 13 -19.801 -16.959 9.970 106 2HE2 GLN 13 2HE2 GLN 13 -19.995 -18.625 9.705 107 H GLN 14 H GLN 14 -15.257 -14.000 7.931 108 HA GLN 14 HA GLN 14 -16.514 -11.494 8.724 109 1HB GLN 14 2HB GLN 14 -15.353 -11.399 10.952 110 2HB GLN 14 1HB GLN 14 -16.633 -12.609 10.883 111 1HG GLN 14 2HG GLN 14 -15.118 -14.397 10.766 112 2HG GLN 14 1HG GLN 14 -13.798 -13.365 10.210 113 1HE2 GLN 14 1HE2 GLN 14 -15.310 -14.714 13.021 114 2HE2 GLN 14 2HE2 GLN 14 -14.370 -13.901 14.178 115 H SER 15 H SER 15 -14.668 -12.491 6.696 116 HA SER 15 HA SER 15 -11.950 -11.880 7.221 117 1HB SER 15 2HB SER 15 -12.591 -11.089 4.539 118 2HB SER 15 1HB SER 15 -11.762 -12.539 5.081 119 HG SER 15 HG SER 15 -13.623 -13.128 3.990 120 H LEU 16 H LEU 16 -14.473 -9.751 5.822 121 HA LEU 16 HA LEU 16 -12.968 -7.405 5.525 122 1HB LEU 16 2HB LEU 16 -15.209 -7.464 4.692 123 2HB LEU 16 1HB LEU 16 -15.872 -7.818 6.282 124 HG LEU 16 HG LEU 16 -14.305 -5.322 6.180 125 1HD1 LEU 16 1HD1 LEU 16 -15.631 -4.070 4.745 126 2HD1 LEU 16 2HD1 LEU 16 -17.014 -5.147 4.914 127 3HD1 LEU 16 3HD1 LEU 16 -15.649 -5.618 3.902 128 1HD2 LEU 16 1HD2 LEU 16 -15.612 -5.867 8.131 129 2HD2 LEU 16 2HD2 LEU 16 -17.056 -6.140 7.155 130 3HD2 LEU 16 3HD2 LEU 16 -16.408 -4.509 7.336 131 H ASP 17 H ASP 17 -14.386 -8.742 8.478 132 HA ASP 17 HA ASP 17 -13.769 -6.428 10.120 133 1HB ASP 17 2HB ASP 17 -15.342 -8.639 10.448 134 2HB ASP 17 1HB ASP 17 -13.946 -9.075 11.431 135 H ILE 18 H ILE 18 -12.168 -9.497 9.383 136 HA ILE 18 HA ILE 18 -9.979 -9.111 11.240 137 HB ILE 18 HB ILE 18 -10.082 -10.855 8.755 138 1HG1 ILE 18 2HG1 ILE 18 -10.531 -11.932 11.503 139 2HG1 ILE 18 1HG1 ILE 18 -11.863 -11.047 10.761 140 1HG2 ILE 18 1HG2 ILE 18 -7.834 -10.747 9.495 141 2HG2 ILE 18 2HG2 ILE 18 -8.466 -12.214 10.244 142 3HG2 ILE 18 3HG2 ILE 18 -8.305 -10.736 11.195 143 1HD1 ILE 18 1HD1 ILE 18 -12.141 -12.603 9.074 144 2HD1 ILE 18 2HD1 ILE 18 -11.553 -13.661 10.354 145 3HD1 ILE 18 3HD1 ILE 18 -10.449 -13.093 9.101 146 H GLN 19 H GLN 19 -10.501 -8.361 7.809 147 HA GLN 19 HA GLN 19 -7.771 -7.578 7.286 148 1HB GLN 19 2HB GLN 19 -10.059 -6.302 5.809 149 2HB GLN 19 1HB GLN 19 -8.485 -6.806 5.200 150 1HG GLN 19 2HG GLN 19 -9.666 -9.178 6.126 151 2HG GLN 19 1HG GLN 19 -10.978 -8.313 5.329 152 1HE2 GLN 19 1HE2 GLN 19 -9.787 -10.730 4.255 153 2HE2 GLN 19 2HE2 GLN 19 -9.028 -10.321 2.793 154 H VAL 20 H VAL 20 -10.706 -5.702 8.104 155 HA VAL 20 HA VAL 20 -9.576 -3.117 8.146 156 HB VAL 20 HB VAL 20 -11.662 -4.279 10.022 157 1HG1 VAL 20 1HG1 VAL 20 -10.548 -1.561 9.636 158 2HG1 VAL 20 2HG1 VAL 20 -11.343 -2.265 11.044 159 3HG1 VAL 20 3HG1 VAL 20 -12.308 -1.655 9.700 160 1HG2 VAL 20 1HG2 VAL 20 -12.443 -2.543 7.754 161 2HG2 VAL 20 2HG2 VAL 20 -13.201 -4.017 8.355 162 3HG2 VAL 20 3HG2 VAL 20 -11.799 -4.118 7.292 163 H ARG 21 H ARG 21 -9.708 -5.526 10.771 164 HA ARG 21 HA ARG 21 -8.311 -4.000 12.742 165 1HB ARG 21 2HB ARG 21 -8.141 -7.008 12.390 166 2HB ARG 21 1HB ARG 21 -7.947 -6.096 13.885 167 1HG ARG 21 2HG ARG 21 -10.514 -5.539 12.590 168 2HG ARG 21 1HG ARG 21 -10.316 -7.251 12.956 169 1HD ARG 21 2HD ARG 21 -11.088 -6.607 15.010 170 2HD ARG 21 1HD ARG 21 -9.397 -6.177 15.266 171 HE ARG 21 HE ARG 21 -10.655 -3.944 14.067 172 1HH1 ARG 21 1HH2 ARG 21 -10.822 -5.780 17.039 173 2HH1 ARG 21 2HH2 ARG 21 -11.357 -4.422 17.965 174 1HH2 ARG 21 1HH1 ARG 21 -11.348 -2.214 15.302 175 2HH2 ARG 21 2HH1 ARG 21 -11.653 -2.423 16.995 176 H ALA 22 H ALA 22 -7.222 -5.962 10.033 177 HA ALA 22 HA ALA 22 -4.424 -5.987 10.746 178 1HB ALA 22 1HB ALA 22 -4.449 -6.218 8.010 179 2HB ALA 22 2HB ALA 22 -6.082 -6.744 8.420 180 3HB ALA 22 3HB ALA 22 -4.690 -7.567 9.121 181 H LEU 23 H LEU 23 -6.506 -3.815 8.885 182 HA LEU 23 HA LEU 23 -4.337 -2.138 7.928 183 1HB LEU 23 2HB LEU 23 -7.259 -1.399 8.265 184 2HB LEU 23 1HB LEU 23 -6.083 -0.607 7.218 185 HG LEU 23 HG LEU 23 -6.820 -3.525 6.933 186 1HD1 LEU 23 1HD1 LEU 23 -8.781 -1.937 6.622 187 2HD1 LEU 23 2HD1 LEU 23 -8.375 -2.913 5.211 188 3HD1 LEU 23 3HD1 LEU 23 -7.882 -1.221 5.283 189 1HD2 LEU 23 1HD2 LEU 23 -5.836 -1.795 4.715 190 2HD2 LEU 23 2HD2 LEU 23 -5.521 -3.500 5.033 191 3HD2 LEU 23 3HD2 LEU 23 -4.671 -2.259 5.955 192 H LYS 24 H LYS 24 -6.712 -1.888 10.583 193 HA LYS 24 HA LYS 24 -5.793 0.608 11.622 194 1HB LYS 24 2HB LYS 24 -7.615 -1.509 12.429 195 2HB LYS 24 1HB LYS 24 -6.695 -0.930 13.816 196 1HG LYS 24 2HG LYS 24 -8.475 0.567 13.807 197 2HG LYS 24 1HG LYS 24 -7.289 1.446 12.842 198 1HD LYS 24 2HD LYS 24 -9.009 1.591 11.345 199 2HD LYS 24 1HD LYS 24 -8.482 -0.033 10.900 200 1HE LYS 24 2HE LYS 24 -10.688 0.685 12.851 201 2HE LYS 24 1HE LYS 24 -10.883 -0.077 11.273 202 1HZ LYS 24 1HZ LYS 24 -10.970 -1.740 12.978 203 2HZ LYS 24 2HZ LYS 24 -9.490 -1.221 13.634 204 3HZ LYS 24 3HZ LYS 24 -9.535 -1.944 12.097 205 H ASP 25 H ASP 25 -4.845 -2.743 12.357 206 HA ASP 25 HA ASP 25 -2.976 -2.160 14.424 207 1HB ASP 25 2HB ASP 25 -3.906 -4.440 13.442 208 2HB ASP 25 1HB ASP 25 -2.462 -4.345 12.444 209 H ALA 26 H ALA 26 -2.793 -2.098 10.930 210 HA ALA 26 HA ALA 26 0.067 -1.735 10.727 211 1HB ALA 26 1HB ALA 26 -1.346 -2.579 8.870 212 2HB ALA 26 2HB ALA 26 -0.451 -1.136 8.392 213 3HB ALA 26 3HB ALA 26 -2.165 -1.019 8.797 214 H GLY 27 H GLY 27 -2.719 0.389 11.095 215 1HA GLY 27 2HA GLY 27 -2.130 2.565 12.287 216 2HA GLY 27 1HA GLY 27 -0.873 2.747 11.059 217 H VAL 28 H VAL 28 -4.220 1.623 10.747 218 HA VAL 28 HA VAL 28 -4.699 3.844 8.805 219 HB VAL 28 HB VAL 28 -5.752 0.993 8.814 220 1HG1 VAL 28 1HG1 VAL 28 -7.379 2.785 7.994 221 2HG1 VAL 28 2HG1 VAL 28 -6.974 1.531 6.826 222 3HG1 VAL 28 3HG1 VAL 28 -6.218 3.120 6.710 223 1HG2 VAL 28 1HG2 VAL 28 -3.324 1.807 7.982 224 2HG2 VAL 28 2HG2 VAL 28 -4.254 2.173 6.530 225 3HG2 VAL 28 3HG2 VAL 28 -4.225 0.529 7.167 226 H LYS 29 H LYS 29 -6.803 4.800 8.875 227 HA LYS 29 HA LYS 29 -8.082 4.650 11.526 228 1HB LYS 29 2HB LYS 29 -7.966 6.566 9.303 229 2HB LYS 29 1HB LYS 29 -9.585 6.405 9.982 230 1HG LYS 29 2HG LYS 29 -8.956 7.235 12.039 231 2HG LYS 29 1HG LYS 29 -7.306 6.629 11.897 232 1HD LYS 29 2HD LYS 29 -6.580 8.471 10.725 233 2HD LYS 29 1HD LYS 29 -8.150 8.733 9.962 234 1HE LYS 29 2HE LYS 29 -9.021 9.843 11.833 235 2HE LYS 29 1HE LYS 29 -7.835 9.129 12.927 236 1HZ LYS 29 1HZ LYS 29 -7.278 11.413 12.526 237 2HZ LYS 29 2HZ LYS 29 -7.311 11.178 10.844 238 3HZ LYS 29 3HZ LYS 29 -6.110 10.430 11.786 239 H ALA 30 H ALA 30 -10.174 3.881 11.891 240 HA ALA 30 HA ALA 30 -11.183 1.851 10.144 241 1HB ALA 30 1HB ALA 30 -11.627 2.442 12.734 242 2HB ALA 30 2HB ALA 30 -12.734 1.450 11.785 243 3HB ALA 30 3HB ALA 30 -13.073 3.163 12.027 244 H ASN 31 H ASN 31 -11.873 5.282 10.463 245 HA ASN 31 HA ASN 31 -14.273 5.314 8.886 246 1HB ASN 31 2HB ASN 31 -12.769 7.165 10.348 247 2HB ASN 31 1HB ASN 31 -12.654 7.740 8.689 248 1HD2 ASN 31 1HD2 ASN 31 -15.202 6.388 10.866 249 2HD2 ASN 31 2HD2 ASN 31 -16.406 7.476 10.371 250 H ARG 32 H ARG 32 -10.881 5.134 8.077 251 HA ARG 32 HA ARG 32 -11.576 5.548 5.197 252 1HB ARG 32 2HB ARG 32 -8.739 5.602 6.200 253 2HB ARG 32 1HB ARG 32 -9.429 6.389 4.784 254 1HG ARG 32 2HG ARG 32 -10.589 8.007 6.191 255 2HG ARG 32 1HG ARG 32 -10.057 7.170 7.649 256 1HD ARG 32 2HD ARG 32 -7.726 7.677 7.139 257 2HD ARG 32 1HD ARG 32 -8.194 8.416 5.608 258 HE ARG 32 HE ARG 32 -8.324 9.680 8.208 259 1HH1 ARG 32 1HH2 ARG 32 -9.876 9.501 5.079 260 2HH1 ARG 32 2HH2 ARG 32 -10.544 11.091 5.208 261 1HH2 ARG 32 1HH1 ARG 32 -9.201 11.734 8.329 262 2HH2 ARG 32 2HH1 ARG 32 -10.165 12.344 7.025 263 H ILE 33 H ILE 33 -12.311 3.144 5.874 264 HA ILE 33 HA ILE 33 -10.019 1.312 5.292 265 HB ILE 33 HB ILE 33 -12.696 0.690 6.579 266 1HG1 ILE 33 2HG1 ILE 33 -11.192 2.058 8.003 267 2HG1 ILE 33 1HG1 ILE 33 -11.404 0.432 8.649 268 1HG2 ILE 33 1HG2 ILE 33 -12.194 -1.417 5.914 269 2HG2 ILE 33 2HG2 ILE 33 -10.945 -1.373 7.157 270 3HG2 ILE 33 3HG2 ILE 33 -10.540 -0.982 5.486 271 1HD1 ILE 33 1HD1 ILE 33 -9.254 -0.241 7.584 272 2HD1 ILE 33 2HD1 ILE 33 -9.040 1.061 8.755 273 3HD1 ILE 33 3HD1 ILE 33 -9.035 1.419 7.028 274 H PHE 34 H PHE 34 -10.219 1.713 2.992 275 HA PHE 34 HA PHE 34 -12.759 1.070 1.663 276 1HB PHE 34 2HB PHE 34 -10.043 1.992 0.759 277 2HB PHE 34 1HB PHE 34 -11.179 1.323 -0.416 278 HD1 PHE 34 1HD PHE 34 -10.508 4.093 1.909 279 HD2 PHE 34 2HD PHE 34 -13.304 2.440 -0.901 280 HE1 PHE 34 1HE PHE 34 -11.730 6.250 1.857 281 HE2 PHE 34 2HE PHE 34 -14.526 4.599 -0.955 282 HZ PHE 34 HZ PHE 34 -13.739 6.504 0.425 283 H THR 35 H THR 35 -13.039 -1.140 2.248 284 HA THR 35 HA THR 35 -10.969 -3.060 1.333 285 HB THR 35 HB THR 35 -11.889 -3.424 3.578 286 HG1 THR 35 1HG THR 35 -12.581 -5.566 3.236 287 1HG2 THR 35 1HG2 THR 35 -14.535 -4.307 2.898 288 2HG2 THR 35 2HG2 THR 35 -14.330 -2.651 2.335 289 3HG2 THR 35 3HG2 THR 35 -14.059 -3.045 4.031 290 H ASP 36 H ASP 36 -12.210 -5.199 0.471 291 HA ASP 36 HA ASP 36 -14.167 -4.328 -1.615 292 1HB ASP 36 2HB ASP 36 -11.794 -6.188 -1.968 293 2HB ASP 36 1HB ASP 36 -13.039 -5.908 -3.184 294 H LYS 37 H LYS 37 -16.019 -5.335 -0.926 295 HA LYS 37 HA LYS 37 -16.012 -7.822 0.545 296 1HB LYS 37 2HB LYS 37 -17.830 -5.868 0.323 297 2HB LYS 37 1HB LYS 37 -18.462 -6.949 -0.919 298 1HG LYS 37 2HG LYS 37 -19.524 -7.561 1.155 299 2HG LYS 37 1HG LYS 37 -18.348 -8.820 0.781 300 1HD LYS 37 2HD LYS 37 -16.794 -7.101 2.220 301 2HD LYS 37 1HD LYS 37 -18.360 -6.843 2.988 302 1HE LYS 37 2HE LYS 37 -17.201 -9.596 2.500 303 2HE LYS 37 1HE LYS 37 -16.960 -8.704 4.002 304 1HZ LYS 37 1HZ LYS 37 -19.247 -8.715 4.448 305 2HZ LYS 37 2HZ LYS 37 -18.895 -10.297 3.935 306 3HZ LYS 37 3HZ LYS 37 -19.649 -9.204 2.875 307 H ALA 38 H ALA 38 -14.587 -8.917 -1.112 308 HA ALA 38 HA ALA 38 -15.434 -9.616 -3.720 309 1HB ALA 38 1HB ALA 38 -13.897 -11.570 -3.455 310 2HB ALA 38 2HB ALA 38 -13.757 -11.187 -1.740 311 3HB ALA 38 3HB ALA 38 -13.160 -10.049 -2.949 312 H SER 39 H SER 39 -16.589 -10.738 -0.634 313 HA SER 39 HA SER 39 -17.667 -13.263 -1.539 314 1HB SER 39 2HB SER 39 -17.213 -12.442 0.891 315 2HB SER 39 1HB SER 39 -18.791 -11.673 0.761 316 HG SER 39 HG SER 39 -19.453 -13.598 1.332 317 H GLY 40 H GLY 40 -18.519 -12.074 -3.587 318 1HA GLY 40 2HA GLY 40 -21.418 -11.650 -3.188 319 2HA GLY 40 1HA GLY 40 -20.529 -10.328 -3.947 320 H SER 41 H SER 41 -21.816 -10.700 -5.892 321 HA SER 41 HA SER 41 -21.865 -13.188 -7.306 322 1HB SER 41 2HB SER 41 -22.052 -10.362 -8.393 323 2HB SER 41 1HB SER 41 -22.510 -11.823 -9.264 324 HG SER 41 HG SER 41 -24.323 -10.909 -8.283 325 H SER 42 H SER 42 -19.698 -10.369 -7.547 326 HA SER 42 HA SER 42 -17.648 -12.150 -8.764 327 1HB SER 42 2HB SER 42 -18.317 -9.400 -9.851 328 2HB SER 42 1HB SER 42 -17.118 -10.523 -10.486 329 HG SER 42 HG SER 42 -19.749 -10.388 -10.982 330 H SER 43 H SER 43 -15.551 -10.550 -9.018 331 HA SER 43 HA SER 43 -14.739 -9.950 -6.342 332 1HB SER 43 2HB SER 43 -12.915 -8.583 -7.718 333 2HB SER 43 1HB SER 43 -12.912 -10.344 -7.707 334 HG SER 43 HG SER 43 -13.391 -10.313 -9.748 335 H ASP 44 H ASP 44 -15.276 -8.214 -5.126 336 HA ASP 44 HA ASP 44 -16.647 -5.924 -6.337 337 1HB ASP 44 2HB ASP 44 -15.909 -6.654 -3.495 338 2HB ASP 44 1HB ASP 44 -16.663 -5.115 -3.909 339 H ARG 45 H ARG 45 -14.594 -5.464 -7.642 340 HA ARG 45 HA ARG 45 -12.288 -4.370 -6.267 341 1HB ARG 45 2HB ARG 45 -13.245 -4.315 -9.134 342 2HB ARG 45 1HB ARG 45 -11.797 -3.443 -8.624 343 1HG ARG 45 2HG ARG 45 -11.108 -5.722 -7.546 344 2HG ARG 45 1HG ARG 45 -12.304 -6.409 -8.646 345 1HD ARG 45 2HD ARG 45 -10.964 -4.767 -10.351 346 2HD ARG 45 1HD ARG 45 -9.666 -5.202 -9.241 347 HE ARG 45 HE ARG 45 -9.739 -7.399 -10.092 348 1HH1 ARG 45 1HH2 ARG 45 -12.626 -5.649 -11.011 349 2HH1 ARG 45 2HH2 ARG 45 -13.170 -6.905 -12.067 350 1HH2 ARG 45 1HH1 ARG 45 -10.483 -8.998 -11.468 351 2HH2 ARG 45 2HH1 ARG 45 -11.974 -8.780 -12.323 352 H LYS 46 H LYS 46 -13.949 -3.018 -4.894 353 HA LYS 46 HA LYS 46 -14.342 -0.370 -6.231 354 1HB LYS 46 2HB LYS 46 -15.876 -1.628 -3.939 355 2HB LYS 46 1HB LYS 46 -16.126 0.016 -4.526 356 1HG LYS 46 2HG LYS 46 -16.387 -2.467 -6.244 357 2HG LYS 46 1HG LYS 46 -17.746 -1.623 -5.500 358 1HD LYS 46 2HD LYS 46 -16.726 0.486 -6.686 359 2HD LYS 46 1HD LYS 46 -15.934 -0.707 -7.715 360 1HE LYS 46 2HE LYS 46 -18.389 -1.737 -7.798 361 2HE LYS 46 1HE LYS 46 -18.843 -0.070 -7.439 362 1HZ LYS 46 1HZ LYS 46 -17.639 0.680 -9.349 363 2HZ LYS 46 2HZ LYS 46 -18.695 -0.558 -9.838 364 3HZ LYS 46 3HZ LYS 46 -17.036 -0.876 -9.652 365 H GLY 47 H GLY 47 -12.716 -2.044 -3.687 366 1HA GLY 47 2HA GLY 47 -12.421 0.064 -1.791 367 2HA GLY 47 1HA GLY 47 -11.318 -1.297 -1.969 368 H LEU 48 H LEU 48 -10.413 -0.838 -4.606 369 HA LEU 48 HA LEU 48 -8.680 1.506 -4.093 370 1HB LEU 48 2HB LEU 48 -7.822 0.606 -6.552 371 2HB LEU 48 1HB LEU 48 -7.140 0.120 -5.011 372 HG LEU 48 HG LEU 48 -8.793 -1.801 -4.995 373 1HD1 LEU 48 1HD1 LEU 48 -9.479 -0.457 -7.558 374 2HD1 LEU 48 2HD1 LEU 48 -10.498 -1.418 -6.489 375 3HD1 LEU 48 3HD1 LEU 48 -9.396 -2.218 -7.607 376 1HD2 LEU 48 1HD2 LEU 48 -6.937 -1.722 -7.391 377 2HD2 LEU 48 2HD2 LEU 48 -7.449 -3.151 -6.493 378 3HD2 LEU 48 3HD2 LEU 48 -6.388 -1.965 -5.733 379 H ASP 49 H ASP 49 -11.288 0.538 -6.227 380 HA ASP 49 HA ASP 49 -11.029 2.546 -8.229 381 1HB ASP 49 2HB ASP 49 -13.477 1.217 -7.038 382 2HB ASP 49 1HB ASP 49 -13.558 2.324 -8.408 383 H LEU 50 H LEU 50 -12.270 2.644 -4.949 384 HA LEU 50 HA LEU 50 -13.147 5.454 -5.234 385 1HB LEU 50 2HB LEU 50 -13.065 3.710 -2.750 386 2HB LEU 50 1HB LEU 50 -13.946 5.226 -2.948 387 HG LEU 50 HG LEU 50 -14.457 2.835 -4.727 388 1HD1 LEU 50 1HD1 LEU 50 -16.189 2.105 -3.276 389 2HD1 LEU 50 2HD1 LEU 50 -16.108 3.575 -2.306 390 3HD1 LEU 50 3HD1 LEU 50 -14.808 2.386 -2.216 391 1HD2 LEU 50 1HD2 LEU 50 -15.321 4.884 -5.623 392 2HD2 LEU 50 2HD2 LEU 50 -15.928 5.393 -4.047 393 3HD2 LEU 50 3HD2 LEU 50 -16.696 4.050 -4.896 394 H LEU 51 H LEU 51 -10.557 3.501 -3.840 395 HA LEU 51 HA LEU 51 -9.276 5.539 -2.290 396 1HB LEU 51 2HB LEU 51 -8.809 2.897 -2.663 397 2HB LEU 51 1HB LEU 51 -7.565 3.562 -3.717 398 HG LEU 51 HG LEU 51 -6.849 5.028 -1.786 399 1HD1 LEU 51 1HD1 LEU 51 -7.829 4.880 0.280 400 2HD1 LEU 51 2HD1 LEU 51 -8.195 3.165 0.097 401 3HD1 LEU 51 3HD1 LEU 51 -9.223 4.374 -0.672 402 1HD2 LEU 51 1HD2 LEU 51 -5.714 3.158 -0.578 403 2HD2 LEU 51 2HD2 LEU 51 -5.607 3.000 -2.331 404 3HD2 LEU 51 3HD2 LEU 51 -6.759 2.018 -1.426 405 H ARG 52 H ARG 52 -9.161 4.683 -5.708 406 HA ARG 52 HA ARG 52 -6.963 6.353 -6.467 407 1HB ARG 52 2HB ARG 52 -9.347 5.261 -7.965 408 2HB ARG 52 1HB ARG 52 -8.142 6.280 -8.753 409 1HG ARG 52 2HG ARG 52 -6.433 4.705 -8.471 410 2HG ARG 52 1HG ARG 52 -7.264 3.897 -7.140 411 1HD ARG 52 2HD ARG 52 -7.323 2.567 -9.250 412 2HD ARG 52 1HD ARG 52 -8.934 2.999 -8.677 413 HE ARG 52 HE ARG 52 -8.300 5.054 -10.411 414 1HH1 ARG 52 1HH2 ARG 52 -8.322 1.564 -10.665 415 2HH1 ARG 52 2HH2 ARG 52 -8.670 1.591 -12.359 416 1HH2 ARG 52 1HH1 ARG 52 -8.750 5.040 -12.600 417 2HH2 ARG 52 2HH1 ARG 52 -8.911 3.537 -13.446 418 H MET 53 H MET 53 -10.346 7.002 -5.820 419 HA MET 53 HA MET 53 -9.894 9.849 -6.582 420 1HB MET 53 2HB MET 53 -12.235 10.046 -7.057 421 2HB MET 53 1HB MET 53 -11.672 8.585 -7.854 422 1HG MET 53 2HG MET 53 -12.985 7.234 -6.576 423 2HG MET 53 1HG MET 53 -12.664 8.134 -5.101 424 1HE MET 53 1HE MET 53 -13.793 10.294 -4.397 425 2HE MET 53 2HE MET 53 -14.626 8.826 -3.897 426 3HE MET 53 3HE MET 53 -15.559 10.209 -4.463 427 H LYS 54 H LYS 54 -9.524 8.215 -3.916 428 HA LYS 54 HA LYS 54 -11.043 10.154 -2.218 429 1HB LYS 54 2HB LYS 54 -11.792 7.767 -2.004 430 2HB LYS 54 1HB LYS 54 -10.171 7.357 -1.441 431 1HG LYS 54 2HG LYS 54 -11.316 7.716 0.570 432 2HG LYS 54 1HG LYS 54 -10.558 9.283 0.285 433 1HD LYS 54 2HD LYS 54 -12.733 9.911 -0.946 434 2HD LYS 54 1HD LYS 54 -13.432 8.484 -0.179 435 1HE LYS 54 2HE LYS 54 -12.487 9.465 2.028 436 2HE LYS 54 1HE LYS 54 -12.348 10.975 1.127 437 1HZ LYS 54 1HZ LYS 54 -14.756 10.589 0.499 438 2HZ LYS 54 2HZ LYS 54 -14.451 11.037 2.109 439 3HZ LYS 54 3HZ LYS 54 -14.789 9.417 1.724 440 H VAL 55 H VAL 55 -7.972 8.485 -2.751 441 HA VAL 55 HA VAL 55 -6.575 9.276 -0.425 442 HB VAL 55 HB VAL 55 -4.521 9.085 -1.830 443 1HG1 VAL 55 1HG1 VAL 55 -5.294 7.032 -0.940 444 2HG1 VAL 55 2HG1 VAL 55 -5.086 6.705 -2.661 445 3HG1 VAL 55 3HG1 VAL 55 -6.698 7.003 -2.009 446 1HG2 VAL 55 1HG2 VAL 55 -6.498 8.628 -4.087 447 2HG2 VAL 55 2HG2 VAL 55 -4.741 8.549 -4.201 448 3HG2 VAL 55 3HG2 VAL 55 -5.536 10.091 -3.884 449 H GLU 56 H GLU 56 -5.597 11.172 0.214 450 HA GLU 56 HA GLU 56 -6.186 13.587 -1.408 451 1HB GLU 56 2HB GLU 56 -5.682 13.010 1.459 452 2HB GLU 56 1HB GLU 56 -5.024 14.533 0.865 453 1HG GLU 56 2HG GLU 56 -7.184 15.269 0.107 454 2HG GLU 56 1HG GLU 56 -7.888 13.676 0.390 455 H GLU 57 H GLU 57 -4.498 15.026 -2.050 456 HA GLU 57 HA GLU 57 -2.062 13.821 -2.881 457 1HB GLU 57 2HB GLU 57 -3.058 15.914 -3.851 458 2HB GLU 57 1HB GLU 57 -2.537 16.778 -2.405 459 1HG GLU 57 2HG GLU 57 -0.489 15.139 -3.823 460 2HG GLU 57 1HG GLU 57 -0.998 16.641 -4.595 461 H GLY 58 H GLY 58 -0.831 12.877 -1.304 462 1HA GLY 58 2HA GLY 58 1.164 13.389 0.087 463 2HA GLY 58 1HA GLY 58 0.227 14.687 0.825 464 H ASP 59 H ASP 59 -1.480 11.722 0.208 465 HA ASP 59 HA ASP 59 -1.537 11.238 3.143 466 1HB ASP 59 2HB ASP 59 -3.551 9.898 2.695 467 2HB ASP 59 1HB ASP 59 -3.716 11.513 2.014 468 H VAL 60 H VAL 60 -2.068 8.627 3.417 469 HA VAL 60 HA VAL 60 0.100 7.196 1.930 470 HB VAL 60 HB VAL 60 0.320 5.856 4.168 471 1HG1 VAL 60 1HG1 VAL 60 1.454 8.509 3.412 472 2HG1 VAL 60 2HG1 VAL 60 2.254 6.946 3.573 473 3HG1 VAL 60 3HG1 VAL 60 1.837 7.876 5.012 474 1HG2 VAL 60 1HG2 VAL 60 -0.477 8.503 5.371 475 2HG2 VAL 60 2HG2 VAL 60 -0.284 6.940 6.167 476 3HG2 VAL 60 3HG2 VAL 60 -1.677 7.233 5.126 477 H ILE 61 H ILE 61 -0.306 4.968 1.536 478 HA ILE 61 HA ILE 61 -3.121 4.107 2.076 479 HB ILE 61 HB ILE 61 -1.399 3.565 -0.363 480 1HG1 ILE 61 2HG1 ILE 61 -4.043 4.966 -0.412 481 2HG1 ILE 61 1HG1 ILE 61 -2.631 5.870 0.136 482 1HG2 ILE 61 1HG2 ILE 61 -3.678 2.667 -1.213 483 2HG2 ILE 61 2HG2 ILE 61 -4.113 2.564 0.493 484 3HG2 ILE 61 3HG2 ILE 61 -2.745 1.638 -0.127 485 1HD1 ILE 61 1HD1 ILE 61 -2.580 4.281 -2.427 486 2HD1 ILE 61 2HD1 ILE 61 -1.507 5.587 -1.925 487 3HD1 ILE 61 3HD1 ILE 61 -3.172 5.941 -2.386 488 H LEU 62 H LEU 62 -2.679 2.812 3.865 489 HA LEU 62 HA LEU 62 -0.455 0.909 3.880 490 1HB LEU 62 2HB LEU 62 -2.397 1.952 5.770 491 2HB LEU 62 1HB LEU 62 -2.333 0.194 5.877 492 HG LEU 62 HG LEU 62 0.099 2.001 5.961 493 1HD1 LEU 62 1HD1 LEU 62 -1.618 0.779 8.114 494 2HD1 LEU 62 2HD1 LEU 62 -1.008 2.429 7.993 495 3HD1 LEU 62 3HD1 LEU 62 0.090 1.111 8.404 496 1HD2 LEU 62 1HD2 LEU 62 1.155 -0.131 6.828 497 2HD2 LEU 62 2HD2 LEU 62 0.652 -0.205 5.138 498 3HD2 LEU 62 3HD2 LEU 62 -0.333 -0.970 6.386 499 H VAL 63 H VAL 63 -0.552 -1.190 3.151 500 HA VAL 63 HA VAL 63 -3.255 -2.279 2.464 501 HB VAL 63 HB VAL 63 -0.651 -2.859 1.022 502 1HG1 VAL 63 1HG1 VAL 63 -3.534 -3.458 0.295 503 2HG1 VAL 63 2HG1 VAL 63 -2.400 -4.636 0.954 504 3HG1 VAL 63 3HG1 VAL 63 -2.106 -3.920 -0.629 505 1HG2 VAL 63 1HG2 VAL 63 -1.495 -1.414 -0.752 506 2HG2 VAL 63 2HG2 VAL 63 -1.437 -0.494 0.752 507 3HG2 VAL 63 3HG2 VAL 63 -2.977 -1.113 0.156 508 H LYS 64 H LYS 64 -3.709 -3.864 3.900 509 HA LYS 64 HA LYS 64 -1.765 -5.220 5.503 510 1HB LYS 64 2HB LYS 64 -3.648 -6.750 6.083 511 2HB LYS 64 1HB LYS 64 -4.097 -5.050 6.212 512 1HG LYS 64 2HG LYS 64 -5.884 -5.692 4.943 513 2HG LYS 64 1HG LYS 64 -4.741 -5.528 3.610 514 1HD LYS 64 2HD LYS 64 -4.126 -8.027 4.307 515 2HD LYS 64 1HD LYS 64 -5.778 -8.003 4.923 516 1HE LYS 64 2HE LYS 64 -6.105 -8.706 2.719 517 2HE LYS 64 1HE LYS 64 -6.347 -6.964 2.582 518 1HZ LYS 64 1HZ LYS 64 -4.820 -7.991 0.897 519 2HZ LYS 64 2HZ LYS 64 -3.716 -8.258 2.160 520 3HZ LYS 64 3HZ LYS 64 -4.177 -6.675 1.753 521 H LYS 65 H LYS 65 -1.883 -7.812 5.457 522 HA LYS 65 HA LYS 65 -1.354 -8.658 2.635 523 1HB LYS 65 2HB LYS 65 0.207 -9.057 5.149 524 2HB LYS 65 1HB LYS 65 0.176 -10.387 3.991 525 1HG LYS 65 2HG LYS 65 0.716 -7.608 3.002 526 2HG LYS 65 1HG LYS 65 2.015 -8.510 3.782 527 1HD LYS 65 2HD LYS 65 1.800 -10.322 2.188 528 2HD LYS 65 1HD LYS 65 0.364 -9.582 1.478 529 1HE LYS 65 2HE LYS 65 1.881 -7.541 1.015 530 2HE LYS 65 1HE LYS 65 3.225 -8.639 1.326 531 1HZ LYS 65 1HZ LYS 65 1.067 -9.220 -0.621 532 2HZ LYS 65 2HZ LYS 65 2.537 -10.049 -0.424 533 3HZ LYS 65 3HZ LYS 65 2.527 -8.467 -1.048 534 H LEU 66 H LEU 66 -2.842 -10.120 2.006 535 HA LEU 66 HA LEU 66 -3.414 -12.532 3.423 536 1HB LEU 66 2HB LEU 66 -4.656 -10.939 4.914 537 2HB LEU 66 1HB LEU 66 -5.643 -10.473 3.529 538 HG LEU 66 HG LEU 66 -5.897 -13.164 3.383 539 1HD1 LEU 66 1HD1 LEU 66 -5.771 -14.245 5.417 540 2HD1 LEU 66 2HD1 LEU 66 -6.109 -12.779 6.338 541 3HD1 LEU 66 3HD1 LEU 66 -4.501 -13.047 5.664 542 1HD2 LEU 66 1HD2 LEU 66 -7.958 -12.654 5.030 543 2HD2 LEU 66 2HD2 LEU 66 -7.908 -12.032 3.381 544 3HD2 LEU 66 3HD2 LEU 66 -7.443 -10.995 4.730 545 H ASP 67 H ASP 67 -4.675 -10.070 1.212 546 HA ASP 67 HA ASP 67 -5.427 -12.265 -0.677 547 1HB ASP 67 2HB ASP 67 -7.281 -10.720 0.362 548 2HB ASP 67 1HB ASP 67 -6.669 -9.527 -0.786 549 H ARG 68 H ARG 68 -3.945 -12.298 -2.290 550 HA ARG 68 HA ARG 68 -1.995 -10.375 -2.869 551 1HB ARG 68 2HB ARG 68 -1.836 -11.450 -5.116 552 2HB ARG 68 1HB ARG 68 -1.892 -12.625 -3.802 553 1HG ARG 68 2HG ARG 68 -4.490 -12.541 -4.224 554 2HG ARG 68 1HG ARG 68 -4.013 -11.930 -5.809 555 1HD ARG 68 2HD ARG 68 -2.702 -13.897 -6.258 556 2HD ARG 68 1HD ARG 68 -2.888 -14.468 -4.600 557 HE ARG 68 HE ARG 68 -4.815 -14.806 -6.741 558 1HH1 ARG 68 1HH2 ARG 68 -4.464 -14.387 -3.286 559 2HH1 ARG 68 2HH2 ARG 68 -5.964 -15.173 -2.938 560 1HH2 ARG 68 1HH1 ARG 68 -6.748 -15.814 -6.245 561 2HH2 ARG 68 2HH1 ARG 68 -7.245 -15.972 -4.594 562 H LEU 69 H LEU 69 -1.827 -8.678 -4.413 563 HA LEU 69 HA LEU 69 -4.062 -6.981 -4.712 564 1HB LEU 69 2HB LEU 69 -1.383 -7.189 -6.065 565 2HB LEU 69 1HB LEU 69 -2.551 -5.982 -6.590 566 HG LEU 69 HG LEU 69 -0.920 -5.156 -4.873 567 1HD1 LEU 69 1HD1 LEU 69 -2.511 -3.828 -3.763 568 2HD1 LEU 69 2HD1 LEU 69 -3.692 -5.138 -3.712 569 3HD1 LEU 69 3HD1 LEU 69 -3.344 -4.323 -5.237 570 1HD2 LEU 69 1HD2 LEU 69 -2.431 -6.979 -2.993 571 2HD2 LEU 69 2HD2 LEU 69 -1.174 -5.828 -2.544 572 3HD2 LEU 69 3HD2 LEU 69 -0.770 -7.234 -3.530 573 H GLY 70 H GLY 70 -2.968 -9.657 -6.700 574 1HA GLY 70 2HA GLY 70 -5.243 -10.308 -8.013 575 2HA GLY 70 1HA GLY 70 -4.722 -8.904 -8.945 576 H ARG 71 H ARG 71 -4.898 -11.724 -9.800 577 HA ARG 71 HA ARG 71 -2.014 -12.261 -10.386 578 1HB ARG 71 2HB ARG 71 -3.306 -14.056 -9.162 579 2HB ARG 71 1HB ARG 71 -4.333 -14.205 -10.589 580 1HG ARG 71 2HG ARG 71 -2.282 -14.664 -11.952 581 2HG ARG 71 1HG ARG 71 -1.339 -14.661 -10.462 582 1HD ARG 71 2HD ARG 71 -1.958 -16.962 -11.102 583 2HD ARG 71 1HD ARG 71 -2.720 -16.505 -9.578 584 HE ARG 71 HE ARG 71 -4.818 -16.642 -10.643 585 1HH1 ARG 71 1HH2 ARG 71 -2.261 -16.515 -13.026 586 2HH1 ARG 71 2HH2 ARG 71 -3.337 -16.823 -14.344 587 1HH2 ARG 71 1HH1 ARG 71 -6.175 -17.040 -12.376 588 2HH2 ARG 71 2HH1 ARG 71 -5.529 -17.117 -13.983 589 H ASP 72 H ASP 72 -2.745 -10.356 -11.963 590 HA ASP 72 HA ASP 72 -3.176 -11.627 -14.598 591 1HB ASP 72 2HB ASP 72 -4.881 -9.283 -13.691 592 2HB ASP 72 1HB ASP 72 -4.996 -10.146 -15.224 593 H THR 73 H THR 73 -3.500 -9.093 -15.970 594 HA THR 73 HA THR 73 -0.878 -8.276 -16.461 595 HB THR 73 HB THR 73 -3.241 -6.387 -16.535 596 HG1 THR 73 1HG THR 73 -3.543 -7.334 -18.650 597 1HG2 THR 73 1HG2 THR 73 -0.570 -6.581 -17.850 598 2HG2 THR 73 2HG2 THR 73 -1.448 -5.156 -17.294 599 3HG2 THR 73 3HG2 THR 73 -1.910 -5.942 -18.803 600 H ALA 74 H ALA 74 0.049 -6.003 -15.945 601 HA ALA 74 HA ALA 74 0.705 -5.714 -13.253 602 1HB ALA 74 1HB ALA 74 1.019 -3.187 -13.971 603 2HB ALA 74 2HB ALA 74 0.683 -3.830 -15.579 604 3HB ALA 74 3HB ALA 74 2.048 -4.448 -14.648 605 H ASP 75 H ASP 75 -1.139 -5.921 -11.917 606 HA ASP 75 HA ASP 75 -3.119 -3.692 -12.013 607 1HB ASP 75 2HB ASP 75 -3.184 -6.347 -10.534 608 2HB ASP 75 1HB ASP 75 -4.456 -5.125 -10.477 609 H MET 76 H MET 76 -0.949 -5.486 -9.841 610 HA MET 76 HA MET 76 -1.323 -3.812 -7.536 611 1HB MET 76 2HB MET 76 -0.255 -6.040 -7.404 612 2HB MET 76 1HB MET 76 1.083 -5.465 -8.387 613 1HG MET 76 2HG MET 76 1.923 -4.098 -6.688 614 2HG MET 76 1HG MET 76 0.376 -4.023 -5.846 615 1HE MET 76 1HE MET 76 3.265 -5.865 -3.708 616 2HE MET 76 2HE MET 76 2.176 -4.481 -3.677 617 3HE MET 76 3HE MET 76 3.399 -4.603 -4.939 618 H ILE 77 H ILE 77 0.893 -3.736 -10.291 619 HA ILE 77 HA ILE 77 2.384 -1.428 -9.367 620 HB ILE 77 HB ILE 77 2.086 -2.644 -12.137 621 1HG1 ILE 77 2HG1 ILE 77 4.601 -3.238 -11.234 622 2HG1 ILE 77 1HG1 ILE 77 3.690 -3.286 -9.727 623 1HG2 ILE 77 1HG2 ILE 77 2.885 -0.288 -12.191 624 2HG2 ILE 77 2HG2 ILE 77 4.153 -1.416 -12.672 625 3HG2 ILE 77 3HG2 ILE 77 4.168 -0.709 -11.056 626 1HD1 ILE 77 1HD1 ILE 77 2.983 -5.346 -10.297 627 2HD1 ILE 77 2HD1 ILE 77 3.725 -5.208 -11.890 628 3HD1 ILE 77 3HD1 ILE 77 2.083 -4.622 -11.629 629 H GLN 78 H GLN 78 -0.632 -1.893 -11.073 630 HA GLN 78 HA GLN 78 -0.812 0.627 -12.389 631 1HB GLN 78 2HB GLN 78 -2.485 -1.620 -11.993 632 2HB GLN 78 1HB GLN 78 -3.393 -0.238 -11.385 633 1HG GLN 78 2HG GLN 78 -1.979 -0.068 -14.038 634 2HG GLN 78 1HG GLN 78 -3.563 -0.837 -13.923 635 1HE2 GLN 78 1HE2 GLN 78 -1.959 2.201 -14.142 636 2HE2 GLN 78 2HE2 GLN 78 -3.309 3.188 -13.845 637 H LEU 79 H LEU 79 -2.731 -0.186 -9.471 638 HA LEU 79 HA LEU 79 -3.054 2.556 -8.777 639 1HB LEU 79 2HB LEU 79 -4.111 1.854 -6.766 640 2HB LEU 79 1HB LEU 79 -4.537 0.673 -7.987 641 HG LEU 79 HG LEU 79 -4.067 -0.571 -6.030 642 1HD1 LEU 79 1HD1 LEU 79 -1.552 -0.631 -7.699 643 2HD1 LEU 79 2HD1 LEU 79 -3.019 -1.549 -8.002 644 3HD1 LEU 79 3HD1 LEU 79 -2.055 -1.876 -6.563 645 1HD2 LEU 79 1HD2 LEU 79 -2.491 -0.096 -4.435 646 2HD2 LEU 79 2HD2 LEU 79 -2.673 1.520 -5.119 647 3HD2 LEU 79 3HD2 LEU 79 -1.320 0.501 -5.611 648 H ILE 80 H ILE 80 -0.284 0.573 -8.388 649 HA ILE 80 HA ILE 80 0.753 2.078 -6.087 650 HB ILE 80 HB ILE 80 1.877 -0.095 -7.878 651 1HG1 ILE 80 2HG1 ILE 80 1.428 0.053 -4.881 652 2HG1 ILE 80 1HG1 ILE 80 0.279 -0.644 -6.024 653 1HG2 ILE 80 1HG2 ILE 80 3.933 -0.059 -6.530 654 2HG2 ILE 80 2HG2 ILE 80 3.344 1.340 -5.635 655 3HG2 ILE 80 3HG2 ILE 80 3.726 1.487 -7.350 656 1HD1 ILE 80 1HD1 ILE 80 3.051 -1.619 -5.329 657 2HD1 ILE 80 2HD1 ILE 80 2.238 -2.125 -6.810 658 3HD1 ILE 80 3HD1 ILE 80 1.526 -2.500 -5.241 659 H LYS 81 H LYS 81 0.972 2.074 -9.602 660 HA LYS 81 HA LYS 81 3.058 4.150 -9.585 661 1HB LYS 81 2HB LYS 81 3.380 2.675 -11.379 662 2HB LYS 81 1HB LYS 81 1.654 2.477 -11.656 663 1HG LYS 81 2HG LYS 81 2.886 5.170 -12.124 664 2HG LYS 81 1HG LYS 81 3.123 3.903 -13.329 665 1HD LYS 81 2HD LYS 81 0.356 3.954 -12.451 666 2HD LYS 81 1HD LYS 81 0.850 5.545 -13.009 667 1HE LYS 81 2HE LYS 81 1.947 3.900 -14.931 668 2HE LYS 81 1HE LYS 81 0.446 3.062 -14.535 669 1HZ LYS 81 1HZ LYS 81 0.527 5.970 -15.080 670 2HZ LYS 81 2HZ LYS 81 -0.821 4.936 -15.078 671 3HZ LYS 81 3HZ LYS 81 0.332 4.831 -16.321 672 H GLU 82 H GLU 82 -0.426 3.790 -9.969 673 HA GLU 82 HA GLU 82 -0.996 6.396 -11.017 674 1HB GLU 82 2HB GLU 82 -2.524 4.238 -10.598 675 2HB GLU 82 1HB GLU 82 -2.900 5.105 -9.108 676 1HG GLU 82 2HG GLU 82 -4.513 5.964 -10.558 677 2HG GLU 82 1HG GLU 82 -3.224 7.158 -10.721 678 H PHE 83 H PHE 83 -1.165 5.165 -7.651 679 HA PHE 83 HA PHE 83 -1.567 7.748 -6.465 680 1HB PHE 83 2HB PHE 83 -0.438 5.170 -5.331 681 2HB PHE 83 1HB PHE 83 -0.759 6.601 -4.355 682 HD1 PHE 83 1HD PHE 83 -3.265 7.648 -5.378 683 HD2 PHE 83 2HD PHE 83 -2.060 3.561 -4.825 684 HE1 PHE 83 1HE PHE 83 -5.640 6.971 -5.173 685 HE2 PHE 83 2HE PHE 83 -4.440 2.884 -4.633 686 HZ PHE 83 HZ PHE 83 -6.228 4.592 -4.805 687 H ASP 84 H ASP 84 1.281 6.031 -7.560 688 HA ASP 84 HA ASP 84 3.296 7.440 -6.130 689 1HB ASP 84 2HB ASP 84 3.668 5.422 -7.577 690 2HB ASP 84 1HB ASP 84 3.449 6.444 -8.993 691 H ALA 85 H ALA 85 1.937 8.090 -9.368 692 HA ALA 85 HA ALA 85 3.307 10.617 -9.665 693 1HB ALA 85 1HB ALA 85 1.054 9.239 -11.109 694 2HB ALA 85 2HB ALA 85 2.662 9.652 -11.704 695 3HB ALA 85 3HB ALA 85 1.452 10.916 -11.482 696 H GLN 86 H GLN 86 0.411 9.662 -7.992 697 HA GLN 86 HA GLN 86 -0.817 12.304 -8.058 698 1HB GLN 86 2HB GLN 86 -1.507 9.636 -7.124 699 2HB GLN 86 1HB GLN 86 -1.911 10.850 -5.912 700 1HG GLN 86 2HG GLN 86 -2.638 11.345 -8.784 701 2HG GLN 86 1HG GLN 86 -3.644 10.274 -7.808 702 1HE2 GLN 86 1HE2 GLN 86 -5.418 11.854 -7.801 703 2HE2 GLN 86 2HE2 GLN 86 -5.326 13.265 -6.862 704 H GLY 87 H GLY 87 1.934 11.264 -6.518 705 1HA GLY 87 2HA GLY 87 3.192 12.300 -4.822 706 2HA GLY 87 1HA GLY 87 1.899 13.492 -4.658 707 H VAL 88 H VAL 88 1.363 10.029 -4.450 708 HA VAL 88 HA VAL 88 0.748 10.365 -1.543 709 HB VAL 88 HB VAL 88 -0.591 8.615 -3.630 710 1HG1 VAL 88 1HG1 VAL 88 -2.169 8.093 -1.686 711 2HG1 VAL 88 2HG1 VAL 88 -0.923 8.745 -0.624 712 3HG1 VAL 88 3HG1 VAL 88 -0.583 7.325 -1.613 713 1HG2 VAL 88 1HG2 VAL 88 -1.525 10.741 -3.863 714 2HG2 VAL 88 2HG2 VAL 88 -1.307 11.133 -2.157 715 3HG2 VAL 88 3HG2 VAL 88 -2.588 10.025 -2.649 716 H SER 89 H SER 89 1.231 8.542 -0.190 717 HA SER 89 HA SER 89 3.368 6.791 -1.320 718 1HB SER 89 2HB SER 89 2.886 7.915 1.435 719 2HB SER 89 1HB SER 89 3.905 6.497 1.205 720 HG SER 89 HG SER 89 5.067 7.805 -0.363 721 H ILE 90 H ILE 90 3.334 4.543 -0.733 722 HA ILE 90 HA ILE 90 0.714 3.596 0.350 723 HB ILE 90 HB ILE 90 2.357 2.281 -1.837 724 1HG1 ILE 90 2HG1 ILE 90 -0.260 3.823 -1.957 725 2HG1 ILE 90 1HG1 ILE 90 1.289 4.381 -2.584 726 1HG2 ILE 90 1HG2 ILE 90 -0.483 1.568 -1.330 727 2HG2 ILE 90 2HG2 ILE 90 0.666 1.053 -0.093 728 3HG2 ILE 90 3HG2 ILE 90 0.877 0.532 -1.764 729 1HD1 ILE 90 1HD1 ILE 90 1.351 2.485 -4.151 730 2HD1 ILE 90 2HD1 ILE 90 -0.114 3.440 -4.383 731 3HD1 ILE 90 3HD1 ILE 90 -0.190 1.905 -3.517 732 H ARG 91 H ARG 91 0.999 2.486 2.189 733 HA ARG 91 HA ARG 91 3.692 1.441 2.854 734 1HB ARG 91 2HB ARG 91 1.263 2.245 4.380 735 2HB ARG 91 1HB ARG 91 2.267 0.977 5.084 736 1HG ARG 91 2HG ARG 91 4.260 2.488 4.728 737 2HG ARG 91 1HG ARG 91 3.129 3.768 4.289 738 1HD ARG 91 2HD ARG 91 2.344 4.005 6.440 739 2HD ARG 91 1HD ARG 91 2.609 2.306 6.836 740 HE ARG 91 HE ARG 91 4.764 2.879 7.585 741 1HH1 ARG 91 1HH2 ARG 91 3.503 5.414 5.532 742 2HH1 ARG 91 2HH2 ARG 91 4.835 6.470 5.847 743 1HH2 ARG 91 1HH1 ARG 91 6.469 4.276 7.964 744 2HH2 ARG 91 2HH1 ARG 91 6.498 5.834 7.208 745 H PHE 92 H PHE 92 3.958 -0.754 3.604 746 HA PHE 92 HA PHE 92 1.747 -2.614 2.836 747 1HB PHE 92 2HB PHE 92 4.683 -2.745 2.122 748 2HB PHE 92 1HB PHE 92 3.659 -4.182 2.107 749 HD1 PHE 92 1HD PHE 92 1.201 -3.586 0.983 750 HD2 PHE 92 2HD PHE 92 4.972 -1.766 0.030 751 HE1 PHE 92 1HE PHE 92 0.328 -2.947 -1.249 752 HE2 PHE 92 2HE PHE 92 4.099 -1.128 -2.201 753 HZ PHE 92 HZ PHE 92 1.778 -1.718 -2.840 754 H ILE 93 H ILE 93 1.299 -4.093 4.414 755 HA ILE 93 HA ILE 93 2.528 -3.941 6.987 756 HB ILE 93 HB ILE 93 0.231 -4.765 6.658 757 1HG1 ILE 93 2HG1 ILE 93 2.041 -6.926 7.791 758 2HG1 ILE 93 1HG1 ILE 93 1.525 -5.486 8.667 759 1HG2 ILE 93 1HG2 ILE 93 1.657 -6.967 5.160 760 2HG2 ILE 93 2HG2 ILE 93 0.329 -5.949 4.606 761 3HG2 ILE 93 3HG2 ILE 93 0.039 -7.192 5.822 762 1HD1 ILE 93 1HD1 ILE 93 -0.442 -7.432 7.445 763 2HD1 ILE 93 2HD1 ILE 93 -0.765 -6.166 8.630 764 3HD1 ILE 93 3HD1 ILE 93 0.155 -7.596 9.098 765 H ASP 94 H ASP 94 3.355 -5.784 4.136 766 HA ASP 94 HA ASP 94 4.796 -7.921 5.309 767 1HB ASP 94 2HB ASP 94 6.110 -7.913 3.151 768 2HB ASP 94 1HB ASP 94 4.360 -7.948 2.942 769 H ASP 95 H ASP 95 5.585 -4.539 5.202 770 HA ASP 95 HA ASP 95 8.050 -5.081 6.718 771 1HB ASP 95 2HB ASP 95 8.732 -5.140 4.295 772 2HB ASP 95 1HB ASP 95 8.183 -3.469 4.154 773 H GLY 96 H GLY 96 6.036 -2.621 5.117 774 1HA GLY 96 2HA GLY 96 4.941 -0.981 6.694 775 2HA GLY 96 1HA GLY 96 6.516 -0.842 7.475 776 H ILE 97 H ILE 97 6.162 -1.060 3.981 777 HA ILE 97 HA ILE 97 6.398 1.835 3.603 778 HB ILE 97 HB ILE 97 8.535 1.590 2.295 779 1HG1 ILE 97 2HG1 ILE 97 8.746 -1.074 3.723 780 2HG1 ILE 97 1HG1 ILE 97 8.256 -0.920 2.034 781 1HG2 ILE 97 1HG2 ILE 97 8.335 2.300 4.773 782 2HG2 ILE 97 2HG2 ILE 97 9.926 1.803 4.199 783 3HG2 ILE 97 3HG2 ILE 97 8.942 0.687 5.147 784 1HD1 ILE 97 1HD1 ILE 97 10.910 -0.205 3.284 785 2HD1 ILE 97 2HD1 ILE 97 10.421 0.446 1.720 786 3HD1 ILE 97 3HD1 ILE 97 10.594 -1.296 1.935 787 H SER 98 H SER 98 7.066 2.016 1.014 788 HA SER 98 HA SER 98 4.893 0.538 -0.332 789 1HB SER 98 2HB SER 98 6.694 2.435 -1.783 790 2HB SER 98 1HB SER 98 4.958 2.187 -1.956 791 HG SER 98 HG SER 98 5.609 4.168 -0.867 792 H THR 99 H THR 99 5.627 0.012 -2.790 793 HA THR 99 HA THR 99 7.555 -2.148 -2.538 794 HB THR 99 HB THR 99 5.655 -2.437 -4.024 795 HG1 THR 99 1HG THR 99 7.965 -2.038 -5.612 796 1HG2 THR 99 1HG2 THR 99 6.574 0.207 -5.024 797 2HG2 THR 99 2HG2 THR 99 4.937 -0.419 -4.838 798 3HG2 THR 99 3HG2 THR 99 5.914 -0.906 -6.221 799 H ASP 100 H ASP 100 9.233 -0.435 -1.799 800 HA ASP 100 HA ASP 100 10.428 1.339 -3.706 801 1HB ASP 100 2HB ASP 100 10.787 1.441 -1.227 802 2HB ASP 100 1HB ASP 100 11.763 -0.023 -1.348 803 H GLY 101 H GLY 101 10.578 0.026 -5.643 804 1HA GLY 101 2HA GLY 101 11.996 -1.087 -7.174 805 2HA GLY 101 1HA GLY 101 13.129 -1.387 -5.854 806 H GLU 102 H GLU 102 10.719 -2.774 -7.818 807 HA GLU 102 HA GLU 102 10.483 -5.128 -5.991 808 1HB GLU 102 2HB GLU 102 8.421 -3.789 -6.997 809 2HB GLU 102 1HB GLU 102 8.746 -4.798 -8.408 810 1HG GLU 102 2HG GLU 102 8.777 -6.779 -6.759 811 2HG GLU 102 1HG GLU 102 8.025 -5.673 -5.609 812 H MET 103 H MET 103 11.001 -7.184 -6.797 813 HA MET 103 HA MET 103 12.982 -7.302 -8.886 814 1HB MET 103 2HB MET 103 12.560 -8.897 -6.841 815 2HB MET 103 1HB MET 103 11.469 -9.725 -7.954 816 1HG MET 103 2HG MET 103 13.523 -9.564 -9.604 817 2HG MET 103 1HG MET 103 14.446 -9.401 -8.110 818 1HE MET 103 1HE MET 103 12.776 -11.994 -10.548 819 2HE MET 103 2HE MET 103 14.065 -13.074 -10.024 820 3HE MET 103 3HE MET 103 14.441 -11.407 -10.444 821 H GLY 104 H GLY 104 9.513 -7.946 -8.766 822 1HA GLY 104 2HA GLY 104 8.789 -7.383 -11.326 823 2HA GLY 104 1HA GLY 104 9.467 -9.001 -11.510 824 H LYS 105 H LYS 105 8.604 -9.909 -8.869 825 HA LYS 105 HA LYS 105 6.013 -10.919 -9.539 826 1HB LYS 105 2HB LYS 105 7.366 -10.746 -6.827 827 2HB LYS 105 1HB LYS 105 5.972 -11.756 -7.214 828 1HG LYS 105 2HG LYS 105 7.453 -12.744 -9.091 829 2HG LYS 105 1HG LYS 105 8.802 -12.005 -8.228 830 1HD LYS 105 2HD LYS 105 7.688 -13.194 -6.137 831 2HD LYS 105 1HD LYS 105 7.012 -14.249 -7.378 832 1HE LYS 105 2HE LYS 105 9.919 -13.623 -7.575 833 2HE LYS 105 1HE LYS 105 9.419 -14.707 -6.277 834 1HZ LYS 105 1HZ LYS 105 9.968 -15.816 -8.427 835 2HZ LYS 105 2HZ LYS 105 8.602 -15.067 -9.104 836 3HZ LYS 105 3HZ LYS 105 8.423 -16.171 -7.825 Start of MODEL 13 1 1H MET 1 1HT MET 1 -2.998 14.970 4.187 2 HA MET 1 HA MET 1 -2.114 12.960 4.372 3 1HB MET 1 2HB MET 1 -0.474 14.363 5.990 4 2HB MET 1 1HB MET 1 -1.165 13.253 7.176 5 1HG MET 1 2HG MET 1 -0.655 11.479 5.238 6 2HG MET 1 1HG MET 1 0.570 12.673 4.816 7 1HE MET 1 1HE MET 1 -0.626 9.980 6.538 8 2HE MET 1 2HE MET 1 -0.493 10.336 8.257 9 3HE MET 1 3HE MET 1 0.746 9.365 7.469 10 H ARG 2 H ARG 2 -3.218 11.098 4.773 11 HA ARG 2 HA ARG 2 -4.771 10.881 7.309 12 1HB ARG 2 2HB ARG 2 -5.984 9.874 4.746 13 2HB ARG 2 1HB ARG 2 -6.780 10.307 6.255 14 1HG ARG 2 2HG ARG 2 -5.443 12.304 4.404 15 2HG ARG 2 1HG ARG 2 -7.173 11.965 4.415 16 1HD ARG 2 2HD ARG 2 -7.518 13.122 6.344 17 2HD ARG 2 1HD ARG 2 -6.014 12.555 7.070 18 HE ARG 2 HE ARG 2 -5.582 14.463 4.908 19 1HH1 ARG 2 1HH2 ARG 2 -6.257 14.089 8.321 20 2HH1 ARG 2 2HH2 ARG 2 -5.605 15.640 8.721 21 1HH2 ARG 2 1HH1 ARG 2 -4.749 16.459 5.473 22 2HH2 ARG 2 2HH1 ARG 2 -4.760 16.969 7.127 23 H LEU 3 H LEU 3 -5.571 8.530 7.561 24 HA LEU 3 HA LEU 3 -3.404 6.698 6.616 25 1HB LEU 3 2HB LEU 3 -5.156 6.414 9.075 26 2HB LEU 3 1HB LEU 3 -3.775 5.406 8.643 27 HG LEU 3 HG LEU 3 -2.585 7.828 8.575 28 1HD1 LEU 3 1HD1 LEU 3 -5.021 8.583 9.476 29 2HD1 LEU 3 2HD1 LEU 3 -3.534 9.413 9.934 30 3HD1 LEU 3 3HD1 LEU 3 -4.242 8.212 11.014 31 1HD2 LEU 3 1HD2 LEU 3 -3.081 5.973 10.911 32 2HD2 LEU 3 2HD2 LEU 3 -1.974 7.339 11.025 33 3HD2 LEU 3 3HD2 LEU 3 -1.664 6.048 9.864 34 H PHE 4 H PHE 4 -4.575 6.174 4.665 35 HA PHE 4 HA PHE 4 -7.250 4.958 4.926 36 1HB PHE 4 2HB PHE 4 -5.439 5.682 2.640 37 2HB PHE 4 1HB PHE 4 -6.744 4.525 2.377 38 HD1 PHE 4 1HD PHE 4 -8.812 5.364 1.725 39 HD2 PHE 4 2HD PHE 4 -6.188 7.841 4.057 40 HE1 PHE 4 1HE PHE 4 -10.442 7.229 1.580 41 HE2 PHE 4 2HE PHE 4 -7.818 9.704 3.910 42 HZ PHE 4 HZ PHE 4 -9.944 9.399 2.672 43 H GLY 5 H GLY 5 -7.678 2.743 4.458 44 1HA GLY 5 2HA GLY 5 -5.304 0.960 4.214 45 2HA GLY 5 1HA GLY 5 -6.462 0.673 5.512 46 H TYR 6 H TYR 6 -5.647 -0.324 2.490 47 HA TYR 6 HA TYR 6 -8.369 -0.730 1.441 48 1HB TYR 6 2HB TYR 6 -6.544 -0.260 -0.134 49 2HB TYR 6 1HB TYR 6 -5.647 -1.656 0.453 50 HD1 TYR 6 1HD TYR 6 -5.566 -3.160 -1.344 51 HD2 TYR 6 2HD TYR 6 -9.304 -1.303 -0.326 52 HE1 TYR 6 1HE TYR 6 -6.732 -4.613 -2.977 53 HE2 TYR 6 2HE TYR 6 -10.464 -2.760 -1.952 54 HH TYR 6 HH TYR 6 -9.493 -4.071 -4.272 55 H ALA 7 H ALA 7 -9.423 -2.766 1.383 56 HA ALA 7 HA ALA 7 -8.054 -5.112 2.544 57 1HB ALA 7 1HB ALA 7 -10.386 -5.222 3.973 58 2HB ALA 7 2HB ALA 7 -10.067 -3.488 3.967 59 3HB ALA 7 3HB ALA 7 -8.862 -4.604 4.608 60 H ARG 8 H ARG 8 -9.223 -7.095 2.180 61 HA ARG 8 HA ARG 8 -11.680 -6.985 0.535 62 1HB ARG 8 2HB ARG 8 -9.142 -7.284 -0.676 63 2HB ARG 8 1HB ARG 8 -9.831 -8.906 -0.634 64 1HG ARG 8 2HG ARG 8 -11.989 -7.371 -1.416 65 2HG ARG 8 1HG ARG 8 -10.648 -6.568 -2.223 66 1HD ARG 8 2HD ARG 8 -11.493 -9.458 -2.461 67 2HD ARG 8 1HD ARG 8 -11.432 -8.243 -3.734 68 HE ARG 8 HE ARG 8 -9.173 -9.801 -2.732 69 1HH1 ARG 8 1HH2 ARG 8 -10.163 -6.851 -4.332 70 2HH1 ARG 8 2HH2 ARG 8 -8.644 -6.662 -5.135 71 1HH2 ARG 8 1HH1 ARG 8 -7.225 -9.510 -3.784 72 2HH2 ARG 8 2HH1 ARG 8 -6.998 -8.149 -4.830 73 H VAL 9 H VAL 9 -12.998 -8.725 1.035 74 HA VAL 9 HA VAL 9 -11.946 -10.585 3.073 75 HB VAL 9 HB VAL 9 -14.308 -11.226 3.407 76 1HG1 VAL 9 1HG1 VAL 9 -14.171 -8.219 3.253 77 2HG1 VAL 9 2HG1 VAL 9 -13.192 -9.121 4.409 78 3HG1 VAL 9 3HG1 VAL 9 -14.951 -9.225 4.475 79 1HG2 VAL 9 1HG2 VAL 9 -14.981 -10.875 1.003 80 2HG2 VAL 9 2HG2 VAL 9 -14.926 -9.138 1.299 81 3HG2 VAL 9 3HG2 VAL 9 -16.084 -10.145 2.169 82 H SER 10 H SER 10 -11.649 -12.722 2.770 83 HA SER 10 HA SER 10 -12.285 -13.831 0.065 84 1HB SER 10 2HB SER 10 -9.814 -13.568 0.833 85 2HB SER 10 1HB SER 10 -10.156 -14.926 1.901 86 HG SER 10 HG SER 10 -10.526 -16.201 0.170 87 H THR 11 H THR 11 -12.372 -14.364 3.549 88 HA THR 11 HA THR 11 -13.654 -17.005 3.165 89 HB THR 11 HB THR 11 -11.936 -16.850 4.915 90 HG1 THR 11 1HG THR 11 -13.272 -18.255 5.719 91 1HG2 THR 11 1HG2 THR 11 -12.471 -15.438 6.951 92 2HG2 THR 11 2HG2 THR 11 -13.728 -14.661 5.988 93 3HG2 THR 11 3HG2 THR 11 -12.037 -14.526 5.506 94 H SER 12 H SER 12 -15.703 -17.434 4.362 95 HA SER 12 HA SER 12 -17.470 -15.028 4.275 96 1HB SER 12 2HB SER 12 -17.967 -17.967 3.835 97 2HB SER 12 1HB SER 12 -19.294 -16.878 4.227 98 HG SER 12 HG SER 12 -18.371 -17.297 1.881 99 H GLN 13 H GLN 13 -17.077 -14.306 6.419 100 HA GLN 13 HA GLN 13 -18.717 -15.460 8.463 101 1HB GLN 13 2HB GLN 13 -16.784 -17.122 8.383 102 2HB GLN 13 1HB GLN 13 -15.754 -15.816 8.968 103 1HG GLN 13 2HG GLN 13 -16.376 -16.721 10.997 104 2HG GLN 13 1HG GLN 13 -17.710 -15.589 10.776 105 1HE2 GLN 13 1HE2 GLN 13 -19.611 -16.631 11.384 106 2HE2 GLN 13 2HE2 GLN 13 -20.024 -18.223 10.968 107 H GLN 14 H GLN 14 -15.567 -13.770 8.219 108 HA GLN 14 HA GLN 14 -16.679 -11.224 8.999 109 1HB GLN 14 2HB GLN 14 -15.519 -11.081 11.218 110 2HB GLN 14 1HB GLN 14 -16.844 -12.245 11.202 111 1HG GLN 14 2HG GLN 14 -15.407 -14.085 11.214 112 2HG GLN 14 1HG GLN 14 -14.062 -13.165 10.536 113 1HE2 GLN 14 1HE2 GLN 14 -16.133 -13.132 13.502 114 2HE2 GLN 14 2HE2 GLN 14 -14.861 -12.741 14.557 115 H SER 15 H SER 15 -14.906 -12.290 6.977 116 HA SER 15 HA SER 15 -12.154 -11.783 7.525 117 1HB SER 15 2HB SER 15 -12.712 -11.073 4.811 118 2HB SER 15 1HB SER 15 -11.972 -12.546 5.418 119 HG SER 15 HG SER 15 -13.834 -13.092 4.320 120 H LEU 16 H LEU 16 -14.767 -9.631 6.450 121 HA LEU 16 HA LEU 16 -13.156 -7.333 5.925 122 1HB LEU 16 2HB LEU 16 -15.413 -7.291 5.152 123 2HB LEU 16 1HB LEU 16 -16.056 -7.675 6.741 124 HG LEU 16 HG LEU 16 -14.433 -5.214 6.687 125 1HD1 LEU 16 1HD1 LEU 16 -15.964 -3.845 5.456 126 2HD1 LEU 16 2HD1 LEU 16 -17.123 -5.164 5.300 127 3HD1 LEU 16 3HD1 LEU 16 -15.598 -5.221 4.418 128 1HD2 LEU 16 1HD2 LEU 16 -17.321 -5.498 7.505 129 2HD2 LEU 16 2HD2 LEU 16 -16.075 -4.458 8.195 130 3HD2 LEU 16 3HD2 LEU 16 -16.037 -6.194 8.494 131 H ASP 17 H ASP 17 -14.655 -8.546 8.908 132 HA ASP 17 HA ASP 17 -13.857 -6.317 10.555 133 1HB ASP 17 2HB ASP 17 -15.426 -8.584 10.896 134 2HB ASP 17 1HB ASP 17 -14.032 -8.915 11.921 135 H ILE 18 H ILE 18 -12.437 -9.497 9.858 136 HA ILE 18 HA ILE 18 -10.154 -9.243 11.566 137 HB ILE 18 HB ILE 18 -10.424 -10.804 8.975 138 1HG1 ILE 18 2HG1 ILE 18 -10.750 -12.002 11.701 139 2HG1 ILE 18 1HG1 ILE 18 -12.106 -11.108 11.010 140 1HG2 ILE 18 1HG2 ILE 18 -8.707 -12.272 10.061 141 2HG2 ILE 18 2HG2 ILE 18 -8.557 -11.075 11.350 142 3HG2 ILE 18 3HG2 ILE 18 -8.106 -10.653 9.698 143 1HD1 ILE 18 1HD1 ILE 18 -10.729 -13.087 9.251 144 2HD1 ILE 18 2HD1 ILE 18 -12.433 -12.636 9.315 145 3HD1 ILE 18 3HD1 ILE 18 -11.763 -13.719 10.535 146 H GLN 19 H GLN 19 -10.653 -8.464 8.116 147 HA GLN 19 HA GLN 19 -7.971 -7.626 7.591 148 1HB GLN 19 2HB GLN 19 -10.631 -7.090 6.306 149 2HB GLN 19 1HB GLN 19 -9.215 -6.177 5.787 150 1HG GLN 19 2HG GLN 19 -9.199 -9.193 5.979 151 2HG GLN 19 1HG GLN 19 -9.682 -8.345 4.508 152 1HE2 GLN 19 1HE2 GLN 19 -7.934 -6.390 4.067 153 2HE2 GLN 19 2HE2 GLN 19 -6.320 -6.917 4.095 154 H VAL 20 H VAL 20 -10.875 -5.701 8.461 155 HA VAL 20 HA VAL 20 -9.705 -3.143 8.547 156 HB VAL 20 HB VAL 20 -11.785 -4.293 10.439 157 1HG1 VAL 20 1HG1 VAL 20 -12.427 -1.689 10.204 158 2HG1 VAL 20 2HG1 VAL 20 -10.680 -1.562 10.000 159 3HG1 VAL 20 3HG1 VAL 20 -11.346 -2.284 11.466 160 1HG2 VAL 20 1HG2 VAL 20 -11.989 -4.171 7.748 161 2HG2 VAL 20 2HG2 VAL 20 -12.494 -2.530 8.149 162 3HG2 VAL 20 3HG2 VAL 20 -13.366 -3.910 8.819 163 H ARG 21 H ARG 21 -9.862 -5.565 11.163 164 HA ARG 21 HA ARG 21 -8.388 -4.083 13.111 165 1HB ARG 21 2HB ARG 21 -8.294 -7.094 12.763 166 2HB ARG 21 1HB ARG 21 -8.084 -6.179 14.255 167 1HG ARG 21 2HG ARG 21 -10.631 -5.522 13.024 168 2HG ARG 21 1HG ARG 21 -10.489 -7.265 13.244 169 1HD ARG 21 2HD ARG 21 -11.214 -6.798 15.353 170 2HD ARG 21 1HD ARG 21 -9.522 -6.390 15.631 171 HE ARG 21 HE ARG 21 -10.584 -4.026 14.695 172 1HH1 ARG 21 1HH2 ARG 21 -11.485 -6.245 17.246 173 2HH1 ARG 21 2HH2 ARG 21 -12.206 -5.003 18.208 174 1HH2 ARG 21 1HH1 ARG 21 -11.526 -2.450 15.979 175 2HH2 ARG 21 2HH1 ARG 21 -12.231 -2.880 17.502 176 H ALA 22 H ALA 22 -7.406 -5.994 10.334 177 HA ALA 22 HA ALA 22 -4.595 -6.127 11.022 178 1HB ALA 22 1HB ALA 22 -6.035 -7.495 9.258 179 2HB ALA 22 2HB ALA 22 -4.322 -7.190 8.976 180 3HB ALA 22 3HB ALA 22 -5.537 -6.193 8.179 181 H LEU 23 H LEU 23 -6.560 -3.998 8.925 182 HA LEU 23 HA LEU 23 -4.315 -2.367 8.110 183 1HB LEU 23 2HB LEU 23 -7.134 -1.310 8.239 184 2HB LEU 23 1HB LEU 23 -5.875 -0.943 7.068 185 HG LEU 23 HG LEU 23 -7.547 -3.460 7.271 186 1HD1 LEU 23 1HD1 LEU 23 -7.049 -1.938 4.759 187 2HD1 LEU 23 2HD1 LEU 23 -8.088 -1.188 5.969 188 3HD1 LEU 23 3HD1 LEU 23 -8.507 -2.766 5.303 189 1HD2 LEU 23 1HD2 LEU 23 -4.913 -2.994 5.894 190 2HD2 LEU 23 2HD2 LEU 23 -6.112 -4.043 5.138 191 3HD2 LEU 23 3HD2 LEU 23 -5.485 -4.434 6.739 192 H LYS 24 H LYS 24 -6.703 -2.170 10.728 193 HA LYS 24 HA LYS 24 -5.899 0.412 11.701 194 1HB LYS 24 2HB LYS 24 -7.794 -1.576 12.425 195 2HB LYS 24 1HB LYS 24 -6.786 -1.325 13.849 196 1HG LYS 24 2HG LYS 24 -8.346 0.357 14.164 197 2HG LYS 24 1HG LYS 24 -7.141 1.235 13.220 198 1HD LYS 24 2HD LYS 24 -9.226 1.704 12.166 199 2HD LYS 24 1HD LYS 24 -8.444 0.496 11.144 200 1HE LYS 24 2HE LYS 24 -10.841 -0.036 11.573 201 2HE LYS 24 1HE LYS 24 -9.756 -1.284 12.184 202 1HZ LYS 24 1HZ LYS 24 -10.605 0.930 13.932 203 2HZ LYS 24 2HZ LYS 24 -10.077 -0.629 14.356 204 3HZ LYS 24 3HZ LYS 24 -11.625 -0.404 13.694 205 H ASP 25 H ASP 25 -4.913 -2.900 12.568 206 HA ASP 25 HA ASP 25 -3.060 -2.245 14.616 207 1HB ASP 25 2HB ASP 25 -3.928 -4.555 13.657 208 2HB ASP 25 1HB ASP 25 -2.486 -4.439 12.660 209 H ALA 26 H ALA 26 -2.849 -2.227 11.124 210 HA ALA 26 HA ALA 26 -0.006 -1.817 10.908 211 1HB ALA 26 1HB ALA 26 -2.401 -1.643 9.138 212 2HB ALA 26 2HB ALA 26 -0.886 -2.514 8.891 213 3HB ALA 26 3HB ALA 26 -0.957 -0.772 8.620 214 H GLY 27 H GLY 27 -2.800 0.282 11.328 215 1HA GLY 27 2HA GLY 27 -2.216 2.447 12.550 216 2HA GLY 27 1HA GLY 27 -0.976 2.659 11.309 217 H VAL 28 H VAL 28 -4.304 1.484 10.986 218 HA VAL 28 HA VAL 28 -4.823 3.733 9.091 219 HB VAL 28 HB VAL 28 -5.890 0.888 9.082 220 1HG1 VAL 28 1HG1 VAL 28 -7.180 1.438 7.196 221 2HG1 VAL 28 2HG1 VAL 28 -6.263 2.909 6.879 222 3HG1 VAL 28 3HG1 VAL 28 -7.400 2.851 8.223 223 1HG2 VAL 28 1HG2 VAL 28 -3.577 1.006 8.351 224 2HG2 VAL 28 2HG2 VAL 28 -3.946 2.362 7.285 225 3HG2 VAL 28 3HG2 VAL 28 -4.606 0.764 6.940 226 H LYS 29 H LYS 29 -6.807 4.807 9.301 227 HA LYS 29 HA LYS 29 -8.102 4.586 11.922 228 1HB LYS 29 2HB LYS 29 -8.180 6.467 9.612 229 2HB LYS 29 1HB LYS 29 -9.611 6.404 10.640 230 1HG LYS 29 2HG LYS 29 -8.480 7.193 12.502 231 2HG LYS 29 1HG LYS 29 -6.927 6.563 11.953 232 1HD LYS 29 2HD LYS 29 -6.509 8.733 11.400 233 2HD LYS 29 1HD LYS 29 -7.476 8.363 9.972 234 1HE LYS 29 2HE LYS 29 -9.354 9.453 10.792 235 2HE LYS 29 1HE LYS 29 -8.883 9.217 12.476 236 1HZ LYS 29 1HZ LYS 29 -8.440 11.436 12.140 237 2HZ LYS 29 2HZ LYS 29 -7.915 11.212 10.540 238 3HZ LYS 29 3HZ LYS 29 -6.924 10.742 11.838 239 H ALA 30 H ALA 30 -10.232 3.896 12.296 240 HA ALA 30 HA ALA 30 -11.304 1.897 10.540 241 1HB ALA 30 1HB ALA 30 -13.101 3.278 12.482 242 2HB ALA 30 2HB ALA 30 -11.702 2.420 13.131 243 3HB ALA 30 3HB ALA 30 -12.900 1.554 12.170 244 H ASN 31 H ASN 31 -11.882 5.343 10.909 245 HA ASN 31 HA ASN 31 -14.282 5.462 9.325 246 1HB ASN 31 2HB ASN 31 -12.743 7.245 10.845 247 2HB ASN 31 1HB ASN 31 -12.628 7.864 9.201 248 1HD2 ASN 31 1HD2 ASN 31 -15.182 6.503 11.367 249 2HD2 ASN 31 2HD2 ASN 31 -16.372 7.618 10.900 250 H ARG 32 H ARG 32 -10.888 5.225 8.548 251 HA ARG 32 HA ARG 32 -11.523 5.752 5.672 252 1HB ARG 32 2HB ARG 32 -8.702 5.641 6.715 253 2HB ARG 32 1HB ARG 32 -9.335 6.514 5.323 254 1HG ARG 32 2HG ARG 32 -10.419 8.142 6.763 255 2HG ARG 32 1HG ARG 32 -9.989 7.216 8.201 256 1HD ARG 32 2HD ARG 32 -7.687 7.712 7.976 257 2HD ARG 32 1HD ARG 32 -7.878 8.228 6.300 258 HE ARG 32 HE ARG 32 -8.249 9.896 8.624 259 1HH1 ARG 32 1HH2 ARG 32 -9.478 9.275 5.409 260 2HH1 ARG 32 2HH2 ARG 32 -10.048 10.896 5.205 261 1HH2 ARG 32 1HH1 ARG 32 -9.003 11.980 8.318 262 2HH2 ARG 32 2HH1 ARG 32 -9.783 12.411 6.835 263 H ILE 33 H ILE 33 -12.380 3.373 6.259 264 HA ILE 33 HA ILE 33 -10.166 1.443 5.689 265 HB ILE 33 HB ILE 33 -12.891 0.970 6.939 266 1HG1 ILE 33 2HG1 ILE 33 -11.292 2.176 8.398 267 2HG1 ILE 33 1HG1 ILE 33 -11.616 0.552 8.999 268 1HG2 ILE 33 1HG2 ILE 33 -12.585 -1.238 6.628 269 2HG2 ILE 33 2HG2 ILE 33 -10.955 -1.162 7.292 270 3HG2 ILE 33 3HG2 ILE 33 -11.224 -0.852 5.577 271 1HD1 ILE 33 1HD1 ILE 33 -9.222 0.962 9.123 272 2HD1 ILE 33 2HD1 ILE 33 -9.181 1.447 7.428 273 3HD1 ILE 33 3HD1 ILE 33 -9.523 -0.228 7.857 274 H PHE 34 H PHE 34 -10.211 1.658 3.405 275 HA PHE 34 HA PHE 34 -12.738 1.372 1.947 276 1HB PHE 34 2HB PHE 34 -10.021 2.172 1.337 277 2HB PHE 34 1HB PHE 34 -10.545 0.940 0.191 278 HD1 PHE 34 1HD PHE 34 -13.120 1.270 -0.588 279 HD2 PHE 34 2HD PHE 34 -10.493 4.379 0.781 280 HE1 PHE 34 1HE PHE 34 -14.502 2.958 -1.768 281 HE2 PHE 34 2HE PHE 34 -11.871 6.066 -0.402 282 HZ PHE 34 HZ PHE 34 -13.878 5.356 -1.677 283 H THR 35 H THR 35 -13.525 -0.666 2.570 284 HA THR 35 HA THR 35 -11.787 -3.018 2.049 285 HB THR 35 HB THR 35 -12.896 -2.947 4.234 286 HG1 THR 35 1HG THR 35 -13.561 -4.993 4.139 287 1HG2 THR 35 1HG2 THR 35 -15.609 -3.445 3.376 288 2HG2 THR 35 2HG2 THR 35 -15.062 -1.891 2.753 289 3HG2 THR 35 3HG2 THR 35 -15.009 -2.215 4.486 290 H ASP 36 H ASP 36 -12.865 -4.916 1.031 291 HA ASP 36 HA ASP 36 -14.852 -4.127 -1.062 292 1HB ASP 36 2HB ASP 36 -12.171 -5.362 -1.308 293 2HB ASP 36 1HB ASP 36 -13.442 -6.097 -2.277 294 H LYS 37 H LYS 37 -16.655 -5.438 -0.929 295 HA LYS 37 HA LYS 37 -16.482 -7.869 0.764 296 1HB LYS 37 2HB LYS 37 -18.936 -6.578 -0.456 297 2HB LYS 37 1HB LYS 37 -18.907 -7.804 0.810 298 1HG LYS 37 2HG LYS 37 -17.478 -5.175 1.184 299 2HG LYS 37 1HG LYS 37 -19.202 -5.318 1.515 300 1HD LYS 37 2HD LYS 37 -17.423 -7.410 2.686 301 2HD LYS 37 1HD LYS 37 -17.350 -5.798 3.394 302 1HE LYS 37 2HE LYS 37 -19.041 -7.073 4.579 303 2HE LYS 37 1HE LYS 37 -19.849 -5.840 3.611 304 1HZ LYS 37 1HZ LYS 37 -19.398 -8.579 2.594 305 2HZ LYS 37 2HZ LYS 37 -20.481 -7.405 2.015 306 3HZ LYS 37 3HZ LYS 37 -20.774 -8.177 3.499 307 H ALA 38 H ALA 38 -15.547 -9.416 -0.575 308 HA ALA 38 HA ALA 38 -16.291 -9.873 -3.321 309 1HB ALA 38 1HB ALA 38 -15.225 -12.124 -1.684 310 2HB ALA 38 2HB ALA 38 -14.223 -10.678 -1.794 311 3HB ALA 38 3HB ALA 38 -14.704 -11.531 -3.260 312 H SER 39 H SER 39 -17.603 -10.932 -0.247 313 HA SER 39 HA SER 39 -19.016 -13.252 -1.064 314 1HB SER 39 2HB SER 39 -19.431 -11.205 1.093 315 2HB SER 39 1HB SER 39 -20.659 -12.436 0.811 316 HG SER 39 HG SER 39 -19.254 -13.321 2.245 317 H GLY 40 H GLY 40 -19.585 -9.915 -1.847 318 1HA GLY 40 2HA GLY 40 -22.386 -9.919 -2.288 319 2HA GLY 40 1HA GLY 40 -21.241 -8.901 -3.160 320 H SER 41 H SER 41 -22.902 -9.409 -4.928 321 HA SER 41 HA SER 41 -23.142 -12.011 -6.069 322 1HB SER 41 2HB SER 41 -23.578 -10.564 -8.226 323 2HB SER 41 1HB SER 41 -24.718 -10.498 -6.886 324 HG SER 41 HG SER 41 -23.269 -8.530 -7.941 325 H SER 42 H SER 42 -21.382 -9.352 -7.679 326 HA SER 42 HA SER 42 -19.585 -11.303 -8.937 327 1HB SER 42 2HB SER 42 -19.230 -8.320 -9.093 328 2HB SER 42 1HB SER 42 -18.881 -9.541 -10.314 329 HG SER 42 HG SER 42 -20.970 -8.113 -10.277 330 H SER 43 H SER 43 -17.151 -10.143 -9.012 331 HA SER 43 HA SER 43 -16.013 -10.752 -6.456 332 1HB SER 43 2HB SER 43 -14.164 -9.107 -7.796 333 2HB SER 43 1HB SER 43 -14.217 -10.864 -7.803 334 HG SER 43 HG SER 43 -15.191 -10.840 -9.713 335 H ASP 44 H ASP 44 -14.240 -8.743 -5.861 336 HA ASP 44 HA ASP 44 -15.843 -6.301 -5.388 337 1HB ASP 44 2HB ASP 44 -15.310 -6.371 -2.966 338 2HB ASP 44 1HB ASP 44 -16.325 -7.720 -3.469 339 H ARG 45 H ARG 45 -14.444 -4.948 -6.441 340 HA ARG 45 HA ARG 45 -11.766 -4.633 -5.216 341 1HB ARG 45 2HB ARG 45 -12.349 -5.297 -8.073 342 2HB ARG 45 1HB ARG 45 -11.056 -4.140 -7.753 343 1HG ARG 45 2HG ARG 45 -9.849 -5.711 -6.418 344 2HG ARG 45 1HG ARG 45 -11.226 -6.811 -6.344 345 1HD ARG 45 2HD ARG 45 -10.153 -6.084 -9.040 346 2HD ARG 45 1HD ARG 45 -9.233 -7.226 -8.059 347 HE ARG 45 HE ARG 45 -11.826 -8.194 -7.941 348 1HH1 ARG 45 1HH2 ARG 45 -9.620 -7.359 -10.526 349 2HH1 ARG 45 2HH2 ARG 45 -10.292 -8.527 -11.609 350 1HH2 ARG 45 1HH1 ARG 45 -12.663 -9.689 -9.377 351 2HH2 ARG 45 2HH1 ARG 45 -11.997 -9.831 -10.970 352 H LYS 46 H LYS 46 -14.190 -3.108 -4.941 353 HA LYS 46 HA LYS 46 -13.965 -0.711 -6.604 354 1HB LYS 46 2HB LYS 46 -15.466 -0.850 -3.989 355 2HB LYS 46 1HB LYS 46 -15.832 0.118 -5.416 356 1HG LYS 46 2HG LYS 46 -16.126 -2.203 -6.597 357 2HG LYS 46 1HG LYS 46 -16.296 -2.818 -4.955 358 1HD LYS 46 2HD LYS 46 -17.934 -0.542 -6.106 359 2HD LYS 46 1HD LYS 46 -18.489 -2.212 -5.989 360 1HE LYS 46 2HE LYS 46 -18.210 -2.149 -3.545 361 2HE LYS 46 1HE LYS 46 -17.622 -0.489 -3.648 362 1HZ LYS 46 1HZ LYS 46 -20.295 -1.393 -4.570 363 2HZ LYS 46 2HZ LYS 46 -19.725 0.207 -4.531 364 3HZ LYS 46 3HZ LYS 46 -19.995 -0.637 -3.082 365 H GLY 47 H GLY 47 -12.499 -1.852 -3.688 366 1HA GLY 47 2HA GLY 47 -11.996 0.516 -2.263 367 2HA GLY 47 1HA GLY 47 -10.922 -0.878 -2.266 368 H LEU 48 H LEU 48 -9.269 -0.973 -3.978 369 HA LEU 48 HA LEU 48 -7.776 1.379 -4.284 370 1HB LEU 48 2HB LEU 48 -7.024 0.108 -6.606 371 2HB LEU 48 1HB LEU 48 -6.358 -0.231 -5.020 372 HG LEU 48 HG LEU 48 -7.878 -2.108 -4.719 373 1HD1 LEU 48 1HD1 LEU 48 -9.184 -2.669 -6.993 374 2HD1 LEU 48 2HD1 LEU 48 -9.162 -0.912 -7.138 375 3HD1 LEU 48 3HD1 LEU 48 -9.910 -1.671 -5.733 376 1HD2 LEU 48 1HD2 LEU 48 -6.324 -1.931 -7.289 377 2HD2 LEU 48 2HD2 LEU 48 -7.221 -3.400 -6.902 378 3HD2 LEU 48 3HD2 LEU 48 -5.945 -2.836 -5.823 379 H ASP 49 H ASP 49 -10.515 0.333 -6.187 380 HA ASP 49 HA ASP 49 -10.135 2.038 -8.458 381 1HB ASP 49 2HB ASP 49 -11.962 0.142 -7.823 382 2HB ASP 49 1HB ASP 49 -12.910 1.591 -7.490 383 H LEU 50 H LEU 50 -12.277 2.519 -5.628 384 HA LEU 50 HA LEU 50 -12.648 5.344 -6.190 385 1HB LEU 50 2HB LEU 50 -13.117 3.861 -3.583 386 2HB LEU 50 1HB LEU 50 -13.831 5.399 -4.063 387 HG LEU 50 HG LEU 50 -14.255 3.179 -5.978 388 1HD1 LEU 50 1HD1 LEU 50 -15.833 3.189 -3.403 389 2HD1 LEU 50 2HD1 LEU 50 -14.438 2.138 -3.641 390 3HD1 LEU 50 3HD1 LEU 50 -15.849 1.979 -4.686 391 1HD2 LEU 50 1HD2 LEU 50 -15.750 5.503 -4.817 392 2HD2 LEU 50 2HD2 LEU 50 -16.667 4.192 -5.558 393 3HD2 LEU 50 3HD2 LEU 50 -15.478 5.082 -6.508 394 H LEU 51 H LEU 51 -10.397 3.434 -4.294 395 HA LEU 51 HA LEU 51 -9.311 5.445 -2.602 396 1HB LEU 51 2HB LEU 51 -8.847 2.813 -2.887 397 2HB LEU 51 1HB LEU 51 -7.483 3.419 -3.821 398 HG LEU 51 HG LEU 51 -6.901 4.887 -1.853 399 1HD1 LEU 51 1HD1 LEU 51 -7.899 4.056 0.347 400 2HD1 LEU 51 2HD1 LEU 51 -9.130 3.254 -0.627 401 3HD1 LEU 51 3HD1 LEU 51 -8.975 5.011 -0.674 402 1HD2 LEU 51 1HD2 LEU 51 -6.969 1.878 -1.535 403 2HD2 LEU 51 2HD2 LEU 51 -6.065 2.940 -0.456 404 3HD2 LEU 51 3HD2 LEU 51 -5.648 2.860 -2.167 405 H ARG 52 H ARG 52 -8.752 4.650 -5.986 406 HA ARG 52 HA ARG 52 -6.445 6.302 -6.401 407 1HB ARG 52 2HB ARG 52 -8.552 5.116 -8.180 408 2HB ARG 52 1HB ARG 52 -7.428 6.305 -8.841 409 1HG ARG 52 2HG ARG 52 -5.605 4.916 -8.615 410 2HG ARG 52 1HG ARG 52 -6.273 4.093 -7.206 411 1HD ARG 52 2HD ARG 52 -6.203 2.644 -9.249 412 2HD ARG 52 1HD ARG 52 -7.829 2.851 -8.603 413 HE ARG 52 HE ARG 52 -7.509 4.886 -10.503 414 1HH1 ARG 52 1HH2 ARG 52 -7.417 1.390 -10.457 415 2HH1 ARG 52 2HH2 ARG 52 -7.959 1.254 -12.092 416 1HH2 ARG 52 1HH1 ARG 52 -8.210 4.663 -12.615 417 2HH2 ARG 52 2HH1 ARG 52 -8.404 3.086 -13.304 418 H MET 53 H MET 53 -9.777 7.073 -5.899 419 HA MET 53 HA MET 53 -9.232 9.874 -6.764 420 1HB MET 53 2HB MET 53 -11.528 10.095 -7.427 421 2HB MET 53 1HB MET 53 -10.937 8.596 -8.135 422 1HG MET 53 2HG MET 53 -12.018 7.287 -6.390 423 2HG MET 53 1HG MET 53 -12.494 8.753 -5.532 424 1HE MET 53 1HE MET 53 -15.946 8.472 -6.396 425 2HE MET 53 2HE MET 53 -14.950 9.855 -5.955 426 3HE MET 53 3HE MET 53 -14.618 8.278 -5.243 427 H LYS 54 H LYS 54 -9.456 8.065 -4.026 428 HA LYS 54 HA LYS 54 -10.932 10.186 -2.528 429 1HB LYS 54 2HB LYS 54 -11.577 7.630 -2.472 430 2HB LYS 54 1HB LYS 54 -10.237 7.524 -1.332 431 1HG LYS 54 2HG LYS 54 -11.455 8.478 0.311 432 2HG LYS 54 1HG LYS 54 -11.927 9.820 -0.730 433 1HD LYS 54 2HD LYS 54 -13.232 7.211 -1.297 434 2HD LYS 54 1HD LYS 54 -13.692 7.995 0.216 435 1HE LYS 54 2HE LYS 54 -13.593 9.626 -2.302 436 2HE LYS 54 1HE LYS 54 -14.982 8.576 -2.011 437 1HZ LYS 54 1HZ LYS 54 -15.485 10.678 -1.086 438 2HZ LYS 54 2HZ LYS 54 -13.986 10.778 -0.293 439 3HZ LYS 54 3HZ LYS 54 -15.148 9.651 0.222 440 H VAL 55 H VAL 55 -7.860 8.537 -2.851 441 HA VAL 55 HA VAL 55 -6.689 9.215 -0.348 442 HB VAL 55 HB VAL 55 -4.511 9.026 -1.563 443 1HG1 VAL 55 1HG1 VAL 55 -6.675 6.959 -1.985 444 2HG1 VAL 55 2HG1 VAL 55 -5.430 6.990 -0.738 445 3HG1 VAL 55 3HG1 VAL 55 -4.993 6.655 -2.412 446 1HG2 VAL 55 1HG2 VAL 55 -6.230 8.497 -4.001 447 2HG2 VAL 55 2HG2 VAL 55 -4.472 8.603 -3.928 448 3HG2 VAL 55 3HG2 VAL 55 -5.453 10.050 -3.698 449 H GLU 56 H GLU 56 -5.621 11.057 0.375 450 HA GLU 56 HA GLU 56 -6.144 13.532 -1.176 451 1HB GLU 56 2HB GLU 56 -6.455 12.996 1.476 452 2HB GLU 56 1HB GLU 56 -4.837 13.699 1.483 453 1HG GLU 56 2HG GLU 56 -6.076 15.462 -0.145 454 2HG GLU 56 1HG GLU 56 -7.452 14.963 0.840 455 H GLU 57 H GLU 57 -4.302 15.218 -1.024 456 HA GLU 57 HA GLU 57 -1.970 14.159 -2.312 457 1HB GLU 57 2HB GLU 57 -3.041 16.623 -2.179 458 2HB GLU 57 1HB GLU 57 -1.796 16.799 -0.943 459 1HG GLU 57 2HG GLU 57 -0.062 16.159 -2.504 460 2HG GLU 57 1HG GLU 57 -1.260 15.744 -3.733 461 H GLY 58 H GLY 58 -0.512 12.908 -1.273 462 1HA GLY 58 2HA GLY 58 1.298 12.560 0.246 463 2HA GLY 58 1HA GLY 58 0.701 13.897 1.229 464 H ASP 59 H ASP 59 -1.499 11.397 0.160 465 HA ASP 59 HA ASP 59 -2.023 10.683 2.971 466 1HB ASP 59 2HB ASP 59 -3.675 10.956 0.834 467 2HB ASP 59 1HB ASP 59 -3.394 9.217 0.781 468 H VAL 60 H VAL 60 -2.032 8.396 3.669 469 HA VAL 60 HA VAL 60 0.058 6.820 2.218 470 HB VAL 60 HB VAL 60 0.104 5.523 4.488 471 1HG1 VAL 60 1HG1 VAL 60 1.951 6.883 3.609 472 2HG1 VAL 60 2HG1 VAL 60 1.791 7.094 5.353 473 3HG1 VAL 60 3HG1 VAL 60 1.194 8.340 4.257 474 1HG2 VAL 60 1HG2 VAL 60 -0.782 8.186 5.587 475 2HG2 VAL 60 2HG2 VAL 60 -0.647 6.635 6.416 476 3HG2 VAL 60 3HG2 VAL 60 -1.957 6.910 5.268 477 H ILE 61 H ILE 61 -0.510 4.895 1.361 478 HA ILE 61 HA ILE 61 -3.245 3.849 1.970 479 HB ILE 61 HB ILE 61 -1.513 3.484 -0.495 480 1HG1 ILE 61 2HG1 ILE 61 -4.156 4.836 -0.605 481 2HG1 ILE 61 1HG1 ILE 61 -2.863 5.732 0.192 482 1HG2 ILE 61 1HG2 ILE 61 -3.794 2.633 -1.398 483 2HG2 ILE 61 2HG2 ILE 61 -4.213 2.411 0.300 484 3HG2 ILE 61 3HG2 ILE 61 -2.841 1.544 -0.392 485 1HD1 ILE 61 1HD1 ILE 61 -2.455 4.432 -2.501 486 2HD1 ILE 61 2HD1 ILE 61 -1.498 5.706 -1.745 487 3HD1 ILE 61 3HD1 ILE 61 -3.115 6.060 -2.351 488 H LEU 62 H LEU 62 -2.853 2.367 3.600 489 HA LEU 62 HA LEU 62 -0.505 0.625 3.541 490 1HB LEU 62 2HB LEU 62 -2.770 1.140 5.400 491 2HB LEU 62 1HB LEU 62 -2.029 -0.460 5.479 492 HG LEU 62 HG LEU 62 -0.229 1.929 5.395 493 1HD1 LEU 62 1HD1 LEU 62 -1.641 0.947 7.893 494 2HD1 LEU 62 2HD1 LEU 62 -1.953 2.487 7.092 495 3HD1 LEU 62 3HD1 LEU 62 -0.381 2.179 7.832 496 1HD2 LEU 62 1HD2 LEU 62 0.890 0.298 7.141 497 2HD2 LEU 62 2HD2 LEU 62 0.976 -0.072 5.419 498 3HD2 LEU 62 3HD2 LEU 62 -0.208 -0.889 6.439 499 H VAL 63 H VAL 63 -0.418 -1.334 2.563 500 HA VAL 63 HA VAL 63 -3.000 -2.666 1.846 501 HB VAL 63 HB VAL 63 -0.434 -2.756 0.231 502 1HG1 VAL 63 1HG1 VAL 63 -1.844 -3.794 -1.467 503 2HG1 VAL 63 2HG1 VAL 63 -3.269 -3.593 -0.449 504 3HG1 VAL 63 3HG1 VAL 63 -1.989 -4.704 0.038 505 1HG2 VAL 63 1HG2 VAL 63 -2.913 -1.040 -0.010 506 2HG2 VAL 63 2HG2 VAL 63 -1.860 -1.358 -1.389 507 3HG2 VAL 63 3HG2 VAL 63 -1.229 -0.518 0.029 508 H LYS 64 H LYS 64 -3.117 -4.853 2.336 509 HA LYS 64 HA LYS 64 -0.751 -5.999 3.750 510 1HB LYS 64 2HB LYS 64 -3.682 -6.767 3.857 511 2HB LYS 64 1HB LYS 64 -2.395 -7.569 4.757 512 1HG LYS 64 2HG LYS 64 -1.835 -5.185 5.638 513 2HG LYS 64 1HG LYS 64 -3.458 -4.772 5.088 514 1HD LYS 64 2HD LYS 64 -3.817 -5.428 7.316 515 2HD LYS 64 1HD LYS 64 -4.195 -6.893 6.410 516 1HE LYS 64 2HE LYS 64 -2.741 -7.828 7.917 517 2HE LYS 64 1HE LYS 64 -1.546 -7.266 6.747 518 1HZ LYS 64 1HZ LYS 64 -2.426 -5.874 9.215 519 2HZ LYS 64 2HZ LYS 64 -1.430 -5.168 8.033 520 3HZ LYS 64 3HZ LYS 64 -0.892 -6.528 8.899 521 H LYS 65 H LYS 65 -0.841 -8.563 3.571 522 HA LYS 65 HA LYS 65 -0.558 -9.163 0.710 523 1HB LYS 65 2HB LYS 65 0.254 -11.381 1.545 524 2HB LYS 65 1HB LYS 65 1.143 -10.016 2.222 525 1HG LYS 65 2HG LYS 65 0.299 -10.332 4.331 526 2HG LYS 65 1HG LYS 65 -1.255 -10.916 3.735 527 1HD LYS 65 2HD LYS 65 1.303 -12.517 3.505 528 2HD LYS 65 1HD LYS 65 0.187 -12.676 4.863 529 1HE LYS 65 2HE LYS 65 -1.397 -13.753 3.610 530 2HE LYS 65 1HE LYS 65 -1.033 -12.816 2.160 531 1HZ LYS 65 1HZ LYS 65 -0.397 -15.231 2.100 532 2HZ LYS 65 2HZ LYS 65 0.809 -14.868 3.241 533 3HZ LYS 65 3HZ LYS 65 0.838 -14.138 1.707 534 H LEU 66 H LEU 66 -2.897 -9.709 3.240 535 HA LEU 66 HA LEU 66 -4.229 -11.989 2.127 536 1HB LEU 66 2HB LEU 66 -4.584 -11.091 4.450 537 2HB LEU 66 1HB LEU 66 -5.458 -9.734 3.744 538 HG LEU 66 HG LEU 66 -6.407 -12.322 2.734 539 1HD1 LEU 66 1HD1 LEU 66 -7.677 -12.657 5.006 540 2HD1 LEU 66 2HD1 LEU 66 -6.301 -11.793 5.692 541 3HD1 LEU 66 3HD1 LEU 66 -6.047 -13.307 4.823 542 1HD2 LEU 66 1HD2 LEU 66 -8.422 -11.220 2.744 543 2HD2 LEU 66 2HD2 LEU 66 -7.382 -9.800 2.872 544 3HD2 LEU 66 3HD2 LEU 66 -8.128 -10.479 4.319 545 H ASP 67 H ASP 67 -4.993 -8.502 1.916 546 HA ASP 67 HA ASP 67 -6.871 -8.998 -0.290 547 1HB ASP 67 2HB ASP 67 -7.116 -6.503 -0.261 548 2HB ASP 67 1HB ASP 67 -7.434 -7.243 1.307 549 H ARG 68 H ARG 68 -4.792 -10.031 -1.337 550 HA ARG 68 HA ARG 68 -2.613 -8.633 -2.347 551 1HB ARG 68 2HB ARG 68 -4.223 -10.934 -3.334 552 2HB ARG 68 1HB ARG 68 -3.107 -10.186 -4.477 553 1HG ARG 68 2HG ARG 68 -1.508 -10.332 -2.291 554 2HG ARG 68 1HG ARG 68 -2.532 -11.741 -2.016 555 1HD ARG 68 2HD ARG 68 -0.882 -11.147 -4.489 556 2HD ARG 68 1HD ARG 68 -0.617 -12.445 -3.325 557 HE ARG 68 HE ARG 68 -3.184 -12.917 -4.219 558 1HH1 ARG 68 1HH2 ARG 68 -0.108 -12.427 -5.810 559 2HH1 ARG 68 2HH2 ARG 68 -0.539 -13.412 -7.164 560 1HH2 ARG 68 1HH1 ARG 68 -3.698 -14.183 -5.990 561 2HH2 ARG 68 2HH1 ARG 68 -2.548 -14.396 -7.266 562 H LEU 69 H LEU 69 -2.198 -7.682 -4.488 563 HA LEU 69 HA LEU 69 -3.992 -5.589 -5.136 564 1HB LEU 69 2HB LEU 69 -1.612 -6.836 -6.492 565 2HB LEU 69 1HB LEU 69 -2.512 -5.541 -7.276 566 HG LEU 69 HG LEU 69 -0.538 -4.771 -5.934 567 1HD1 LEU 69 1HD1 LEU 69 -2.976 -3.650 -4.621 568 2HD1 LEU 69 2HD1 LEU 69 -2.818 -3.511 -6.373 569 3HD1 LEU 69 3HD1 LEU 69 -1.593 -2.805 -5.317 570 1HD2 LEU 69 1HD2 LEU 69 -0.673 -4.709 -3.502 571 2HD2 LEU 69 2HD2 LEU 69 -0.757 -6.381 -4.058 572 3HD2 LEU 69 3HD2 LEU 69 -2.225 -5.547 -3.547 573 H GLY 70 H GLY 70 -3.041 -8.032 -7.571 574 1HA GLY 70 2HA GLY 70 -5.780 -8.879 -8.055 575 2HA GLY 70 1HA GLY 70 -5.223 -7.727 -9.266 576 H ARG 71 H ARG 71 -4.964 -9.035 -11.035 577 HA ARG 71 HA ARG 71 -4.037 -11.722 -11.030 578 1HB ARG 71 2HB ARG 71 -5.070 -10.069 -12.921 579 2HB ARG 71 1HB ARG 71 -3.375 -10.071 -13.405 580 1HG ARG 71 2HG ARG 71 -3.953 -11.983 -14.508 581 2HG ARG 71 1HG ARG 71 -3.760 -12.727 -12.923 582 1HD ARG 71 2HD ARG 71 -5.932 -13.303 -12.933 583 2HD ARG 71 1HD ARG 71 -6.387 -11.603 -13.037 584 HE ARG 71 HE ARG 71 -6.798 -11.904 -15.337 585 1HH1 ARG 71 1HH2 ARG 71 -4.900 -14.565 -14.092 586 2HH1 ARG 71 2HH2 ARG 71 -5.015 -15.468 -15.563 587 1HH2 ARG 71 1HH1 ARG 71 -6.923 -13.106 -17.219 588 2HH2 ARG 71 2HH1 ARG 71 -6.149 -14.652 -17.315 589 H ASP 72 H ASP 72 -1.926 -11.856 -12.836 590 HA ASP 72 HA ASP 72 0.331 -11.023 -11.107 591 1HB ASP 72 2HB ASP 72 0.199 -12.921 -13.466 592 2HB ASP 72 1HB ASP 72 1.646 -12.602 -12.508 593 H THR 73 H THR 73 -1.241 -9.883 -13.902 594 HA THR 73 HA THR 73 0.977 -9.035 -15.485 595 HB THR 73 HB THR 73 -1.524 -9.059 -16.121 596 HG1 THR 73 1HG THR 73 -1.036 -7.708 -17.696 597 1HG2 THR 73 1HG2 THR 73 -1.689 -6.199 -15.358 598 2HG2 THR 73 2HG2 THR 73 -1.843 -7.343 -14.026 599 3HG2 THR 73 3HG2 THR 73 -2.953 -7.429 -15.394 600 H ALA 74 H ALA 74 0.472 -6.180 -15.648 601 HA ALA 74 HA ALA 74 2.088 -5.330 -13.333 602 1HB ALA 74 1HB ALA 74 1.095 -3.498 -15.498 603 2HB ALA 74 2HB ALA 74 2.386 -4.650 -15.840 604 3HB ALA 74 3HB ALA 74 2.604 -3.426 -14.589 605 H ASP 75 H ASP 75 -0.525 -6.059 -12.539 606 HA ASP 75 HA ASP 75 -2.150 -3.623 -12.335 607 1HB ASP 75 2HB ASP 75 -2.892 -6.190 -12.379 608 2HB ASP 75 1HB ASP 75 -2.668 -6.032 -10.636 609 H MET 76 H MET 76 -0.057 -5.613 -10.288 610 HA MET 76 HA MET 76 -0.503 -4.205 -7.837 611 1HB MET 76 2HB MET 76 0.612 -6.398 -7.912 612 2HB MET 76 1HB MET 76 1.962 -5.696 -8.798 613 1HG MET 76 2HG MET 76 2.879 -4.778 -6.926 614 2HG MET 76 1HG MET 76 1.316 -4.282 -6.288 615 1HE MET 76 1HE MET 76 4.141 -6.303 -6.384 616 2HE MET 76 2HE MET 76 3.445 -7.866 -6.808 617 3HE MET 76 3HE MET 76 3.991 -7.572 -5.160 618 H ILE 77 H ILE 77 1.167 -3.282 -10.726 619 HA ILE 77 HA ILE 77 2.615 -1.133 -9.259 620 HB ILE 77 HB ILE 77 2.977 -2.167 -12.091 621 1HG1 ILE 77 2HG1 ILE 77 5.291 -2.711 -10.786 622 2HG1 ILE 77 1HG1 ILE 77 4.150 -2.871 -9.450 623 1HG2 ILE 77 1HG2 ILE 77 4.527 -0.141 -10.447 624 2HG2 ILE 77 2HG2 ILE 77 3.621 0.175 -11.927 625 3HG2 ILE 77 3HG2 ILE 77 5.083 -0.809 -11.983 626 1HD1 ILE 77 1HD1 ILE 77 3.943 -5.001 -10.263 627 2HD1 ILE 77 2HD1 ILE 77 4.462 -4.541 -11.885 628 3HD1 ILE 77 3HD1 ILE 77 2.805 -4.230 -11.368 629 H GLN 78 H GLN 78 0.090 -1.772 -11.605 630 HA GLN 78 HA GLN 78 -0.107 0.720 -12.905 631 1HB GLN 78 2HB GLN 78 -1.542 -1.563 -13.008 632 2HB GLN 78 1HB GLN 78 -2.662 -0.557 -12.089 633 1HG GLN 78 2HG GLN 78 -1.389 0.266 -14.713 634 2HG GLN 78 1HG GLN 78 -3.013 -0.404 -14.561 635 1HE2 GLN 78 1HE2 GLN 78 -1.039 2.460 -13.958 636 2HE2 GLN 78 2HE2 GLN 78 -2.325 3.475 -13.516 637 H LEU 79 H LEU 79 -2.279 -0.195 -10.192 638 HA LEU 79 HA LEU 79 -3.083 2.467 -9.653 639 1HB LEU 79 2HB LEU 79 -4.091 1.653 -7.653 640 2HB LEU 79 1HB LEU 79 -4.186 0.330 -8.806 641 HG LEU 79 HG LEU 79 -1.982 0.565 -6.738 642 1HD1 LEU 79 1HD1 LEU 79 -4.727 -0.633 -6.606 643 2HD1 LEU 79 2HD1 LEU 79 -3.845 0.272 -5.374 644 3HD1 LEU 79 3HD1 LEU 79 -3.401 -1.398 -5.728 645 1HD2 LEU 79 1HD2 LEU 79 -2.958 -1.633 -8.579 646 2HD2 LEU 79 2HD2 LEU 79 -1.862 -1.928 -7.228 647 3HD2 LEU 79 3HD2 LEU 79 -1.362 -0.885 -8.558 648 H ILE 80 H ILE 80 -0.213 0.727 -8.674 649 HA ILE 80 HA ILE 80 0.619 2.492 -6.557 650 HB ILE 80 HB ILE 80 2.190 0.683 -8.426 651 1HG1 ILE 80 2HG1 ILE 80 0.615 -0.464 -6.913 652 2HG1 ILE 80 1HG1 ILE 80 2.281 -0.801 -6.456 653 1HG2 ILE 80 1HG2 ILE 80 3.089 2.514 -6.248 654 2HG2 ILE 80 2HG2 ILE 80 3.931 2.010 -7.713 655 3HG2 ILE 80 3HG2 ILE 80 3.839 0.920 -6.329 656 1HD1 ILE 80 1HD1 ILE 80 1.748 1.445 -4.976 657 2HD1 ILE 80 2HD1 ILE 80 1.609 -0.206 -4.377 658 3HD1 ILE 80 3HD1 ILE 80 0.182 0.634 -4.980 659 H LYS 81 H LYS 81 1.359 2.379 -10.060 660 HA LYS 81 HA LYS 81 2.987 4.745 -10.085 661 1HB LYS 81 2HB LYS 81 1.268 3.705 -12.356 662 2HB LYS 81 1HB LYS 81 2.724 4.689 -12.487 663 1HG LYS 81 2HG LYS 81 3.375 2.359 -10.949 664 2HG LYS 81 1HG LYS 81 2.518 1.833 -12.396 665 1HD LYS 81 2HD LYS 81 4.567 3.932 -12.815 666 2HD LYS 81 1HD LYS 81 5.181 2.346 -12.344 667 1HE LYS 81 2HE LYS 81 3.985 1.291 -14.193 668 2HE LYS 81 1HE LYS 81 3.250 2.834 -14.633 669 1HZ LYS 81 1HZ LYS 81 5.131 2.421 -16.037 670 2HZ LYS 81 2HZ LYS 81 6.143 2.162 -14.697 671 3HZ LYS 81 3HZ LYS 81 5.507 3.708 -14.999 672 H GLU 82 H GLU 82 -0.482 4.172 -10.385 673 HA GLU 82 HA GLU 82 -1.245 6.817 -11.177 674 1HB GLU 82 2HB GLU 82 -2.619 4.554 -10.992 675 2HB GLU 82 1HB GLU 82 -2.998 5.174 -9.384 676 1HG GLU 82 2HG GLU 82 -4.728 5.993 -10.809 677 2HG GLU 82 1HG GLU 82 -3.649 7.362 -10.538 678 H PHE 83 H PHE 83 -0.922 5.281 -7.978 679 HA PHE 83 HA PHE 83 -1.647 7.668 -6.503 680 1HB PHE 83 2HB PHE 83 -0.285 5.075 -5.760 681 2HB PHE 83 1HB PHE 83 -0.533 6.368 -4.586 682 HD1 PHE 83 1HD PHE 83 -1.900 3.398 -5.716 683 HD2 PHE 83 2HD PHE 83 -3.051 7.439 -4.831 684 HE1 PHE 83 1HE PHE 83 -4.244 2.657 -5.393 685 HE2 PHE 83 2HE PHE 83 -5.393 6.698 -4.505 686 HZ PHE 83 HZ PHE 83 -5.990 4.311 -4.786 687 H ASP 84 H ASP 84 1.355 6.287 -7.722 688 HA ASP 84 HA ASP 84 3.198 7.881 -6.237 689 1HB ASP 84 2HB ASP 84 3.524 5.853 -7.934 690 2HB ASP 84 1HB ASP 84 3.780 7.165 -9.082 691 H ALA 85 H ALA 85 1.354 8.498 -9.176 692 HA ALA 85 HA ALA 85 2.699 11.058 -9.677 693 1HB ALA 85 1HB ALA 85 1.103 11.276 -11.527 694 2HB ALA 85 2HB ALA 85 0.196 9.887 -10.928 695 3HB ALA 85 3HB ALA 85 1.835 9.672 -11.544 696 H GLN 86 H GLN 86 -0.044 9.942 -7.849 697 HA GLN 86 HA GLN 86 -1.357 12.553 -7.797 698 1HB GLN 86 2HB GLN 86 -1.977 9.833 -6.989 699 2HB GLN 86 1HB GLN 86 -2.369 10.968 -5.701 700 1HG GLN 86 2HG GLN 86 -3.170 11.805 -8.432 701 2HG GLN 86 1HG GLN 86 -4.042 10.421 -7.771 702 1HE2 GLN 86 1HE2 GLN 86 -4.032 13.801 -7.839 703 2HE2 GLN 86 2HE2 GLN 86 -4.978 14.086 -6.459 704 H GLY 87 H GLY 87 1.463 11.554 -6.413 705 1HA GLY 87 2HA GLY 87 2.735 12.480 -4.669 706 2HA GLY 87 1HA GLY 87 1.444 13.662 -4.437 707 H VAL 88 H VAL 88 0.905 10.196 -4.374 708 HA VAL 88 HA VAL 88 0.266 10.422 -1.460 709 HB VAL 88 HB VAL 88 -0.910 8.543 -3.536 710 1HG1 VAL 88 1HG1 VAL 88 -1.817 9.075 -0.693 711 2HG1 VAL 88 2HG1 VAL 88 -0.794 7.711 -1.139 712 3HG1 VAL 88 3HG1 VAL 88 -2.425 7.843 -1.795 713 1HG2 VAL 88 1HG2 VAL 88 -2.531 10.603 -2.120 714 2HG2 VAL 88 2HG2 VAL 88 -2.677 9.995 -3.769 715 3HG2 VAL 88 3HG2 VAL 88 -1.433 11.182 -3.373 716 H SER 89 H SER 89 0.912 8.693 -0.104 717 HA SER 89 HA SER 89 3.132 7.055 -1.224 718 1HB SER 89 2HB SER 89 2.513 8.200 1.459 719 2HB SER 89 1HB SER 89 3.368 6.661 1.419 720 HG SER 89 HG SER 89 5.054 7.860 1.052 721 H ILE 90 H ILE 90 3.230 4.782 -0.678 722 HA ILE 90 HA ILE 90 0.648 3.612 0.263 723 HB ILE 90 HB ILE 90 2.313 2.593 -2.062 724 1HG1 ILE 90 2HG1 ILE 90 -0.367 4.020 -1.987 725 2HG1 ILE 90 1HG1 ILE 90 1.141 4.704 -2.579 726 1HG2 ILE 90 1HG2 ILE 90 0.470 1.015 -2.384 727 2HG2 ILE 90 2HG2 ILE 90 -0.408 1.721 -1.027 728 3HG2 ILE 90 3HG2 ILE 90 1.098 0.848 -0.744 729 1HD1 ILE 90 1HD1 ILE 90 1.194 3.258 -4.446 730 2HD1 ILE 90 2HD1 ILE 90 -0.494 3.741 -4.321 731 3HD1 ILE 90 3HD1 ILE 90 0.010 2.162 -3.738 732 H ARG 91 H ARG 91 1.215 2.727 2.178 733 HA ARG 91 HA ARG 91 3.890 1.558 2.572 734 1HB ARG 91 2HB ARG 91 1.536 1.691 4.482 735 2HB ARG 91 1HB ARG 91 3.212 1.335 4.903 736 1HG ARG 91 2HG ARG 91 3.424 3.738 3.535 737 2HG ARG 91 1HG ARG 91 1.913 3.926 4.424 738 1HD ARG 91 2HD ARG 91 2.951 3.868 6.475 739 2HD ARG 91 1HD ARG 91 4.213 2.767 5.921 740 HE ARG 91 HE ARG 91 4.739 5.124 4.558 741 1HH1 ARG 91 1HH2 ARG 91 4.323 4.256 7.921 742 2HH1 ARG 91 2HH2 ARG 91 5.381 5.505 8.477 743 1HH2 ARG 91 1HH1 ARG 91 6.100 6.727 5.324 744 2HH2 ARG 91 2HH1 ARG 91 6.378 6.889 7.025 745 H PHE 92 H PHE 92 4.316 -0.618 2.564 746 HA PHE 92 HA PHE 92 2.008 -2.445 2.071 747 1HB PHE 92 2HB PHE 92 4.895 -2.475 1.252 748 2HB PHE 92 1HB PHE 92 4.022 -4.002 1.380 749 HD1 PHE 92 1HD PHE 92 2.433 -4.657 -0.263 750 HD2 PHE 92 2HD PHE 92 3.969 -0.646 -0.238 751 HE1 PHE 92 1HE PHE 92 1.366 -4.236 -2.462 752 HE2 PHE 92 2HE PHE 92 2.901 -0.224 -2.437 753 HZ PHE 92 HZ PHE 92 1.601 -2.019 -3.548 754 H ILE 93 H ILE 93 1.658 -4.176 3.442 755 HA ILE 93 HA ILE 93 2.563 -4.094 6.118 756 HB ILE 93 HB ILE 93 0.541 -5.312 5.386 757 1HG1 ILE 93 2HG1 ILE 93 0.924 -7.393 6.746 758 2HG1 ILE 93 1HG1 ILE 93 2.641 -6.990 6.789 759 1HG2 ILE 93 1HG2 ILE 93 0.699 -7.448 4.250 760 2HG2 ILE 93 2HG2 ILE 93 2.461 -7.392 4.303 761 3HG2 ILE 93 3HG2 ILE 93 1.573 -6.249 3.296 762 1HD1 ILE 93 1HD1 ILE 93 2.302 -5.099 8.119 763 2HD1 ILE 93 2HD1 ILE 93 1.090 -6.210 8.758 764 3HD1 ILE 93 3HD1 ILE 93 0.615 -4.938 7.632 765 H ASP 94 H ASP 94 3.975 -5.660 3.304 766 HA ASP 94 HA ASP 94 5.799 -7.387 4.682 767 1HB ASP 94 2HB ASP 94 5.709 -6.164 1.936 768 2HB ASP 94 1HB ASP 94 7.158 -7.020 2.464 769 H ASP 95 H ASP 95 6.116 -4.034 3.504 770 HA ASP 95 HA ASP 95 7.843 -3.210 5.613 771 1HB ASP 95 2HB ASP 95 9.263 -4.854 4.005 772 2HB ASP 95 1HB ASP 95 9.504 -3.332 3.147 773 H GLY 96 H GLY 96 7.049 -2.806 2.174 774 1HA GLY 96 2HA GLY 96 5.924 -0.773 1.402 775 2HA GLY 96 1HA GLY 96 6.749 0.119 2.683 776 H ILE 97 H ILE 97 7.870 -2.120 0.135 777 HA ILE 97 HA ILE 97 10.023 -0.173 -0.500 778 HB ILE 97 HB ILE 97 9.832 -3.031 -1.465 779 1HG1 ILE 97 2HG1 ILE 97 11.161 -1.961 1.046 780 2HG1 ILE 97 1HG1 ILE 97 9.742 -2.998 1.005 781 1HG2 ILE 97 1HG2 ILE 97 11.861 -2.644 -2.394 782 2HG2 ILE 97 2HG2 ILE 97 12.463 -1.846 -0.941 783 3HG2 ILE 97 3HG2 ILE 97 11.541 -0.930 -2.133 784 1HD1 ILE 97 1HD1 ILE 97 12.590 -3.679 0.326 785 2HD1 ILE 97 2HD1 ILE 97 11.273 -4.601 -0.398 786 3HD1 ILE 97 3HD1 ILE 97 11.455 -4.552 1.355 787 H SER 98 H SER 98 7.017 -0.532 -1.537 788 HA SER 98 HA SER 98 7.189 -1.004 -4.349 789 1HB SER 98 2HB SER 98 5.226 0.186 -2.479 790 2HB SER 98 1HB SER 98 5.106 0.746 -4.145 791 HG SER 98 HG SER 98 4.992 -1.906 -3.150 792 H THR 99 H THR 99 6.536 2.187 -2.890 793 HA THR 99 HA THR 99 8.200 3.399 -5.048 794 HB THR 99 HB THR 99 5.852 4.160 -4.976 795 HG1 THR 99 1HG THR 99 7.595 6.149 -3.966 796 1HG2 THR 99 1HG2 THR 99 5.978 5.728 -2.557 797 2HG2 THR 99 2HG2 THR 99 6.236 4.027 -2.175 798 3HG2 THR 99 3HG2 THR 99 4.780 4.527 -3.034 799 H ASP 100 H ASP 100 9.739 2.339 -3.127 800 HA ASP 100 HA ASP 100 10.226 3.986 -0.827 801 1HB ASP 100 2HB ASP 100 11.019 1.634 -1.064 802 2HB ASP 100 1HB ASP 100 12.158 2.167 -2.301 803 H GLY 101 H GLY 101 10.149 6.135 -1.857 804 1HA GLY 101 2HA GLY 101 11.194 8.067 -2.669 805 2HA GLY 101 1HA GLY 101 12.722 7.275 -2.286 806 H GLU 102 H GLU 102 10.149 7.312 -4.757 807 HA GLU 102 HA GLU 102 11.589 5.890 -6.765 808 1HB GLU 102 2HB GLU 102 9.235 7.714 -6.705 809 2HB GLU 102 1HB GLU 102 10.027 7.492 -8.266 810 1HG GLU 102 2HG GLU 102 9.519 5.041 -6.649 811 2HG GLU 102 1HG GLU 102 8.119 5.817 -7.390 812 H MET 103 H MET 103 12.175 7.099 -8.934 813 HA MET 103 HA MET 103 13.589 9.647 -8.351 814 1HB MET 103 2HB MET 103 15.161 7.680 -8.122 815 2HB MET 103 1HB MET 103 14.871 7.335 -9.828 816 1HG MET 103 2HG MET 103 15.714 9.543 -10.451 817 2HG MET 103 1HG MET 103 15.924 9.967 -8.753 818 1HE MET 103 1HE MET 103 19.528 9.733 -9.062 819 2HE MET 103 2HE MET 103 18.047 10.661 -8.843 820 3HE MET 103 3HE MET 103 18.628 10.316 -10.470 821 H GLY 104 H GLY 104 13.683 11.043 -10.121 822 1HA GLY 104 2HA GLY 104 13.537 10.585 -12.824 823 2HA GLY 104 1HA GLY 104 11.850 10.460 -12.323 824 H LYS 105 H LYS 105 14.669 12.637 -12.019 825 HA LYS 105 HA LYS 105 12.895 14.930 -11.499 826 1HB LYS 105 2HB LYS 105 15.842 14.437 -11.487 827 2HB LYS 105 1HB LYS 105 15.289 16.089 -11.764 828 1HG LYS 105 2HG LYS 105 14.070 16.116 -9.691 829 2HG LYS 105 1HG LYS 105 14.323 14.387 -9.455 830 1HD LYS 105 2HD LYS 105 16.702 16.193 -9.745 831 2HD LYS 105 1HD LYS 105 15.862 16.109 -8.195 832 1HE LYS 105 2HE LYS 105 16.261 13.764 -7.994 833 2HE LYS 105 1HE LYS 105 16.774 13.636 -9.676 834 1HZ LYS 105 1HZ LYS 105 18.198 15.317 -7.698 835 2HZ LYS 105 2HZ LYS 105 18.740 14.816 -9.229 836 3HZ LYS 105 3HZ LYS 105 18.597 13.689 -7.965 Start of MODEL 14 1 1H MET 1 1HT MET 1 -3.113 14.950 3.660 2 HA MET 1 HA MET 1 -1.994 13.097 4.134 3 1HB MET 1 2HB MET 1 -0.554 14.774 5.639 4 2HB MET 1 1HB MET 1 -1.315 13.857 6.941 5 1HG MET 1 2HG MET 1 -0.593 11.803 5.369 6 2HG MET 1 1HG MET 1 0.646 12.958 4.881 7 1HE MET 1 1HE MET 1 0.705 10.233 6.061 8 2HE MET 1 2HE MET 1 -0.064 10.185 7.645 9 3HE MET 1 3HE MET 1 1.692 10.116 7.524 10 H ARG 2 H ARG 2 -3.153 11.288 4.555 11 HA ARG 2 HA ARG 2 -4.716 11.133 7.084 12 1HB ARG 2 2HB ARG 2 -5.788 11.270 4.352 13 2HB ARG 2 1HB ARG 2 -6.363 9.863 5.244 14 1HG ARG 2 2HG ARG 2 -7.331 11.180 6.940 15 2HG ARG 2 1HG ARG 2 -6.379 12.601 6.507 16 1HD ARG 2 2HD ARG 2 -7.604 12.600 4.280 17 2HD ARG 2 1HD ARG 2 -8.683 11.386 4.965 18 HE ARG 2 HE ARG 2 -8.687 13.454 6.829 19 1HH1 ARG 2 1HH2 ARG 2 -9.388 13.159 3.414 20 2HH1 ARG 2 2HH2 ARG 2 -10.541 14.447 3.439 21 1HH2 ARG 2 1HH1 ARG 2 -10.188 15.114 6.812 22 2HH2 ARG 2 2HH1 ARG 2 -10.991 15.542 5.339 23 H LEU 3 H LEU 3 -5.490 8.805 7.424 24 HA LEU 3 HA LEU 3 -3.331 6.955 6.512 25 1HB LEU 3 2HB LEU 3 -5.237 6.627 8.847 26 2HB LEU 3 1HB LEU 3 -3.817 5.643 8.494 27 HG LEU 3 HG LEU 3 -2.702 8.136 8.534 28 1HD1 LEU 3 1HD1 LEU 3 -3.732 9.581 9.999 29 2HD1 LEU 3 2HD1 LEU 3 -4.463 8.277 10.935 30 3HD1 LEU 3 3HD1 LEU 3 -5.171 8.758 9.394 31 1HD2 LEU 3 1HD2 LEU 3 -3.180 6.243 10.857 32 2HD2 LEU 3 2HD2 LEU 3 -1.995 7.549 10.871 33 3HD2 LEU 3 3HD2 LEU 3 -1.821 6.211 9.734 34 H PHE 4 H PHE 4 -4.316 6.370 4.511 35 HA PHE 4 HA PHE 4 -7.025 5.187 4.576 36 1HB PHE 4 2HB PHE 4 -5.102 6.039 2.450 37 2HB PHE 4 1HB PHE 4 -6.280 4.790 2.045 38 HD1 PHE 4 1HD PHE 4 -8.745 5.250 2.466 39 HD2 PHE 4 2HD PHE 4 -5.742 8.317 2.615 40 HE1 PHE 4 1HE PHE 4 -10.502 6.980 2.223 41 HE2 PHE 4 2HE PHE 4 -7.500 10.050 2.371 42 HZ PHE 4 HZ PHE 4 -9.882 9.381 2.176 43 H GLY 5 H GLY 5 -7.423 2.979 4.180 44 1HA GLY 5 2HA GLY 5 -5.042 1.202 3.935 45 2HA GLY 5 1HA GLY 5 -6.210 0.907 5.224 46 H TYR 6 H TYR 6 -5.354 -0.229 2.328 47 HA TYR 6 HA TYR 6 -8.063 -0.584 1.194 48 1HB TYR 6 2HB TYR 6 -6.210 -0.120 -0.353 49 2HB TYR 6 1HB TYR 6 -5.323 -1.512 0.260 50 HD1 TYR 6 1HD TYR 6 -5.489 -3.523 -0.891 51 HD2 TYR 6 2HD TYR 6 -8.678 -0.664 -1.210 52 HE1 TYR 6 1HE TYR 6 -6.630 -4.986 -2.534 53 HE2 TYR 6 2HE TYR 6 -9.819 -2.130 -2.854 54 HH TYR 6 HH TYR 6 -8.642 -4.212 -4.594 55 H ALA 7 H ALA 7 -9.110 -2.613 1.130 56 HA ALA 7 HA ALA 7 -7.765 -4.924 2.415 57 1HB ALA 7 1HB ALA 7 -10.032 -3.377 3.549 58 2HB ALA 7 2HB ALA 7 -8.804 -4.336 4.371 59 3HB ALA 7 3HB ALA 7 -10.184 -5.132 3.615 60 H ARG 8 H ARG 8 -9.131 -6.927 2.185 61 HA ARG 8 HA ARG 8 -11.318 -6.929 0.266 62 1HB ARG 8 2HB ARG 8 -9.353 -6.675 -1.250 63 2HB ARG 8 1HB ARG 8 -8.675 -8.159 -0.580 64 1HG ARG 8 2HG ARG 8 -10.032 -9.465 -1.837 65 2HG ARG 8 1HG ARG 8 -11.456 -8.507 -1.435 66 1HD ARG 8 2HD ARG 8 -11.305 -8.082 -3.708 67 2HD ARG 8 1HD ARG 8 -10.332 -6.753 -3.076 68 HE ARG 8 HE ARG 8 -8.526 -8.847 -3.452 69 1HH1 ARG 8 1HH2 ARG 8 -10.777 -7.066 -5.450 70 2HH1 ARG 8 2HH2 ARG 8 -9.829 -7.278 -6.881 71 1HH2 ARG 8 1HH1 ARG 8 -7.334 -9.098 -5.329 72 2HH2 ARG 8 2HH1 ARG 8 -7.902 -8.414 -6.814 73 H VAL 9 H VAL 9 -12.595 -8.440 1.185 74 HA VAL 9 HA VAL 9 -11.694 -10.382 3.068 75 HB VAL 9 HB VAL 9 -13.961 -11.407 2.730 76 1HG1 VAL 9 1HG1 VAL 9 -14.478 -8.484 2.865 77 2HG1 VAL 9 2HG1 VAL 9 -13.285 -9.115 4.000 78 3HG1 VAL 9 3HG1 VAL 9 -14.927 -9.761 3.997 79 1HG2 VAL 9 1HG2 VAL 9 -15.465 -10.544 1.129 80 2HG2 VAL 9 2HG2 VAL 9 -13.947 -10.701 0.242 81 3HG2 VAL 9 3HG2 VAL 9 -14.465 -9.122 0.836 82 H SER 10 H SER 10 -11.301 -12.584 2.868 83 HA SER 10 HA SER 10 -11.024 -13.614 0.073 84 1HB SER 10 2HB SER 10 -8.809 -13.297 0.982 85 2HB SER 10 1HB SER 10 -9.263 -14.071 2.498 86 HG SER 10 HG SER 10 -9.213 -15.997 1.547 87 H THR 11 H THR 11 -11.718 -14.419 3.470 88 HA THR 11 HA THR 11 -12.761 -17.065 2.634 89 HB THR 11 HB THR 11 -11.363 -17.043 4.641 90 HG1 THR 11 1HG THR 11 -12.828 -18.550 4.967 91 1HG2 THR 11 1HG2 THR 11 -13.356 -14.977 5.585 92 2HG2 THR 11 2HG2 THR 11 -11.608 -14.802 5.427 93 3HG2 THR 11 3HG2 THR 11 -12.280 -15.836 6.686 94 H SER 12 H SER 12 -14.943 -17.603 2.772 95 HA SER 12 HA SER 12 -16.880 -15.558 2.408 96 1HB SER 12 2HB SER 12 -17.024 -18.492 3.027 97 2HB SER 12 1HB SER 12 -18.496 -17.526 3.078 98 HG SER 12 HG SER 12 -17.037 -18.390 0.948 99 H GLN 13 H GLN 13 -16.008 -17.413 5.324 100 HA GLN 13 HA GLN 13 -18.035 -16.339 7.029 101 1HB GLN 13 2HB GLN 13 -16.115 -18.242 7.326 102 2HB GLN 13 1HB GLN 13 -15.388 -16.922 8.242 103 1HG GLN 13 2HG GLN 13 -16.690 -17.929 9.888 104 2HG GLN 13 1HG GLN 13 -17.814 -16.716 9.273 105 1HE2 GLN 13 1HE2 GLN 13 -19.840 -17.545 8.757 106 2HE2 GLN 13 2HE2 GLN 13 -20.154 -19.151 8.307 107 H GLN 14 H GLN 14 -16.497 -15.218 9.191 108 HA GLN 14 HA GLN 14 -16.502 -12.462 8.534 109 1HB GLN 14 2HB GLN 14 -16.545 -13.409 10.859 110 2HB GLN 14 1HB GLN 14 -14.829 -13.781 10.690 111 1HG GLN 14 2HG GLN 14 -14.594 -11.698 11.616 112 2HG GLN 14 1HG GLN 14 -14.794 -11.186 9.939 113 1HE2 GLN 14 1HE2 GLN 14 -16.368 -11.319 13.089 114 2HE2 GLN 14 2HE2 GLN 14 -17.724 -10.393 12.656 115 H SER 15 H SER 15 -15.261 -11.658 6.909 116 HA SER 15 HA SER 15 -12.343 -12.320 6.943 117 1HB SER 15 2HB SER 15 -12.772 -11.506 4.378 118 2HB SER 15 1HB SER 15 -12.804 -13.188 4.883 119 HG SER 15 HG SER 15 -14.813 -13.177 4.301 120 H LEU 16 H LEU 16 -14.742 -9.873 5.973 121 HA LEU 16 HA LEU 16 -12.945 -7.729 5.532 122 1HB LEU 16 2HB LEU 16 -15.151 -7.417 4.761 123 2HB LEU 16 1HB LEU 16 -15.861 -7.902 6.293 124 HG LEU 16 HG LEU 16 -14.123 -5.489 6.361 125 1HD1 LEU 16 1HD1 LEU 16 -16.941 -5.071 5.462 126 2HD1 LEU 16 2HD1 LEU 16 -15.759 -5.540 4.241 127 3HD1 LEU 16 3HD1 LEU 16 -15.516 -4.070 5.183 128 1HD2 LEU 16 1HD2 LEU 16 -16.916 -5.836 7.442 129 2HD2 LEU 16 2HD2 LEU 16 -15.606 -4.842 8.075 130 3HD2 LEU 16 3HD2 LEU 16 -15.539 -6.596 8.243 131 H ASP 17 H ASP 17 -14.447 -8.882 8.539 132 HA ASP 17 HA ASP 17 -13.630 -6.718 10.211 133 1HB ASP 17 2HB ASP 17 -15.124 -8.935 10.607 134 2HB ASP 17 1HB ASP 17 -13.623 -9.452 11.374 135 H ILE 18 H ILE 18 -12.036 -9.835 9.522 136 HA ILE 18 HA ILE 18 -9.716 -9.398 11.115 137 HB ILE 18 HB ILE 18 -10.066 -11.019 8.567 138 1HG1 ILE 18 2HG1 ILE 18 -9.854 -12.270 11.255 139 2HG1 ILE 18 1HG1 ILE 18 -11.343 -11.382 10.931 140 1HG2 ILE 18 1HG2 ILE 18 -7.677 -10.540 9.069 141 2HG2 ILE 18 2HG2 ILE 18 -8.065 -12.246 9.285 142 3HG2 ILE 18 3HG2 ILE 18 -7.903 -11.194 10.691 143 1HD1 ILE 18 1HD1 ILE 18 -11.852 -13.528 10.135 144 2HD1 ILE 18 2HD1 ILE 18 -10.230 -13.778 9.492 145 3HD1 ILE 18 3HD1 ILE 18 -11.345 -12.686 8.670 146 H GLN 19 H GLN 19 -10.468 -8.486 7.764 147 HA GLN 19 HA GLN 19 -7.841 -7.555 7.094 148 1HB GLN 19 2HB GLN 19 -10.591 -7.078 5.998 149 2HB GLN 19 1HB GLN 19 -9.253 -6.080 5.435 150 1HG GLN 19 2HG GLN 19 -9.189 -9.109 5.458 151 2HG GLN 19 1HG GLN 19 -9.637 -8.151 4.047 152 1HE2 GLN 19 1HE2 GLN 19 -7.811 -6.081 4.043 153 2HE2 GLN 19 2HE2 GLN 19 -6.225 -6.677 3.945 154 H VAL 20 H VAL 20 -10.758 -5.665 8.053 155 HA VAL 20 HA VAL 20 -9.549 -3.133 8.251 156 HB VAL 20 HB VAL 20 -11.672 -4.277 10.097 157 1HG1 VAL 20 1HG1 VAL 20 -11.718 -1.415 9.385 158 2HG1 VAL 20 2HG1 VAL 20 -10.338 -1.887 10.372 159 3HG1 VAL 20 3HG1 VAL 20 -11.976 -2.191 10.946 160 1HG2 VAL 20 1HG2 VAL 20 -11.681 -3.307 7.289 161 2HG2 VAL 20 2HG2 VAL 20 -12.998 -2.731 8.308 162 3HG2 VAL 20 3HG2 VAL 20 -12.750 -4.461 8.083 163 H ARG 21 H ARG 21 -9.838 -5.579 10.853 164 HA ARG 21 HA ARG 21 -8.389 -4.181 12.852 165 1HB ARG 21 2HB ARG 21 -8.251 -7.175 12.393 166 2HB ARG 21 1HB ARG 21 -8.059 -6.317 13.920 167 1HG ARG 21 2HG ARG 21 -10.600 -5.628 12.692 168 2HG ARG 21 1HG ARG 21 -10.449 -7.377 12.850 169 1HD ARG 21 2HD ARG 21 -11.415 -6.599 14.898 170 2HD ARG 21 1HD ARG 21 -9.732 -6.981 15.259 171 HE ARG 21 HE ARG 21 -9.805 -4.256 14.538 172 1HH1 ARG 21 1HH2 ARG 21 -11.110 -6.329 17.036 173 2HH1 ARG 21 2HH2 ARG 21 -11.141 -5.062 18.211 174 1HH2 ARG 21 1HH1 ARG 21 -9.864 -2.646 16.092 175 2HH2 ARG 21 2HH1 ARG 21 -10.442 -3.000 17.686 176 H ALA 22 H ALA 22 -7.295 -5.899 10.003 177 HA ALA 22 HA ALA 22 -4.494 -5.994 10.802 178 1HB ALA 22 1HB ALA 22 -5.348 -6.086 7.931 179 2HB ALA 22 2HB ALA 22 -5.843 -7.405 8.993 180 3HB ALA 22 3HB ALA 22 -4.131 -7.050 8.766 181 H LEU 23 H LEU 23 -6.521 -3.877 8.779 182 HA LEU 23 HA LEU 23 -4.300 -2.183 7.973 183 1HB LEU 23 2HB LEU 23 -7.124 -1.150 8.048 184 2HB LEU 23 1HB LEU 23 -5.864 -0.845 6.860 185 HG LEU 23 HG LEU 23 -7.537 -3.352 7.169 186 1HD1 LEU 23 1HD1 LEU 23 -7.706 -2.668 4.587 187 2HD1 LEU 23 2HD1 LEU 23 -7.369 -1.075 5.264 188 3HD1 LEU 23 3HD1 LEU 23 -8.777 -1.986 5.811 189 1HD2 LEU 23 1HD2 LEU 23 -5.029 -2.865 5.546 190 2HD2 LEU 23 2HD2 LEU 23 -6.197 -4.115 5.119 191 3HD2 LEU 23 3HD2 LEU 23 -5.352 -4.189 6.666 192 H LYS 24 H LYS 24 -6.717 -2.135 10.555 193 HA LYS 24 HA LYS 24 -6.041 0.482 11.562 194 1HB LYS 24 2HB LYS 24 -7.132 -1.816 13.210 195 2HB LYS 24 1HB LYS 24 -7.363 -0.090 13.481 196 1HG LYS 24 2HG LYS 24 -8.276 -0.774 10.823 197 2HG LYS 24 1HG LYS 24 -9.028 -1.850 11.995 198 1HD LYS 24 2HD LYS 24 -9.130 0.723 13.159 199 2HD LYS 24 1HD LYS 24 -9.572 0.950 11.471 200 1HE LYS 24 2HE LYS 24 -11.612 0.103 11.880 201 2HE LYS 24 1HE LYS 24 -10.895 -1.408 12.432 202 1HZ LYS 24 1HZ LYS 24 -12.035 -0.661 14.277 203 2HZ LYS 24 2HZ LYS 24 -11.640 0.969 14.006 204 3HZ LYS 24 3HZ LYS 24 -10.460 -0.108 14.584 205 H ASP 25 H ASP 25 -4.968 -2.812 12.392 206 HA ASP 25 HA ASP 25 -3.234 -2.141 14.539 207 1HB ASP 25 2HB ASP 25 -3.952 -4.464 13.515 208 2HB ASP 25 1HB ASP 25 -2.504 -4.258 12.542 209 H ALA 26 H ALA 26 -2.849 -2.087 11.059 210 HA ALA 26 HA ALA 26 -0.031 -1.540 10.976 211 1HB ALA 26 1HB ALA 26 -1.063 -2.330 8.979 212 2HB ALA 26 2HB ALA 26 -0.678 -0.639 8.657 213 3HB ALA 26 3HB ALA 26 -2.329 -1.105 9.063 214 H GLY 27 H GLY 27 -2.918 0.450 11.322 215 1HA GLY 27 2HA GLY 27 -2.502 2.600 12.607 216 2HA GLY 27 1HA GLY 27 -1.162 2.873 11.490 217 H VAL 28 H VAL 28 -4.417 1.634 10.851 218 HA VAL 28 HA VAL 28 -4.794 3.867 8.906 219 HB VAL 28 HB VAL 28 -5.899 1.037 8.922 220 1HG1 VAL 28 1HG1 VAL 28 -7.044 1.544 6.901 221 2HG1 VAL 28 2HG1 VAL 28 -6.198 3.079 6.711 222 3HG1 VAL 28 3HG1 VAL 28 -7.418 2.896 7.969 223 1HG2 VAL 28 1HG2 VAL 28 -3.966 2.426 7.043 224 2HG2 VAL 28 2HG2 VAL 28 -4.500 0.748 6.937 225 3HG2 VAL 28 3HG2 VAL 28 -3.507 1.272 8.298 226 H LYS 29 H LYS 29 -6.807 4.937 8.908 227 HA LYS 29 HA LYS 29 -8.217 4.933 11.468 228 1HB LYS 29 2HB LYS 29 -7.780 6.799 9.433 229 2HB LYS 29 1HB LYS 29 -9.497 6.431 9.298 230 1HG LYS 29 2HG LYS 29 -9.839 7.853 11.013 231 2HG LYS 29 1HG LYS 29 -9.059 6.666 12.057 232 1HD LYS 29 2HD LYS 29 -6.926 7.719 11.821 233 2HD LYS 29 1HD LYS 29 -7.494 8.722 10.486 234 1HE LYS 29 2HE LYS 29 -8.707 10.136 11.886 235 2HE LYS 29 1HE LYS 29 -8.874 8.912 13.143 236 1HZ LYS 29 1HZ LYS 29 -7.238 10.804 13.539 237 2HZ LYS 29 2HZ LYS 29 -6.234 10.017 12.417 238 3HZ LYS 29 3HZ LYS 29 -6.696 9.227 13.848 239 H ALA 30 H ALA 30 -10.244 4.054 11.877 240 HA ALA 30 HA ALA 30 -11.229 1.944 10.211 241 1HB ALA 30 1HB ALA 30 -11.668 2.527 12.763 242 2HB ALA 30 2HB ALA 30 -12.870 1.641 11.825 243 3HB ALA 30 3HB ALA 30 -13.066 3.371 12.097 244 H ASN 31 H ASN 31 -11.987 5.369 10.438 245 HA ASN 31 HA ASN 31 -14.344 5.299 8.780 246 1HB ASN 31 2HB ASN 31 -12.943 7.219 10.280 247 2HB ASN 31 1HB ASN 31 -12.828 7.786 8.618 248 1HD2 ASN 31 1HD2 ASN 31 -15.291 6.500 10.921 249 2HD2 ASN 31 2HD2 ASN 31 -16.554 7.469 10.339 250 H ARG 32 H ARG 32 -10.910 5.236 8.148 251 HA ARG 32 HA ARG 32 -11.418 5.661 5.238 252 1HB ARG 32 2HB ARG 32 -9.028 6.068 7.018 253 2HB ARG 32 1HB ARG 32 -8.784 5.762 5.300 254 1HG ARG 32 2HG ARG 32 -9.334 7.882 4.792 255 2HG ARG 32 1HG ARG 32 -10.879 7.723 5.626 256 1HD ARG 32 2HD ARG 32 -9.406 8.000 7.792 257 2HD ARG 32 1HD ARG 32 -8.256 8.735 6.675 258 HE ARG 32 HE ARG 32 -10.735 9.949 6.147 259 1HH1 ARG 32 1HH2 ARG 32 -8.523 9.656 8.841 260 2HH1 ARG 32 2HH2 ARG 32 -8.986 11.180 9.516 261 1HH2 ARG 32 1HH1 ARG 32 -11.302 11.912 7.054 262 2HH2 ARG 32 2HH1 ARG 32 -10.543 12.444 8.516 263 H ILE 33 H ILE 33 -12.300 3.267 5.871 264 HA ILE 33 HA ILE 33 -10.055 1.357 5.348 265 HB ILE 33 HB ILE 33 -12.743 0.834 6.657 266 1HG1 ILE 33 2HG1 ILE 33 -11.168 2.156 8.054 267 2HG1 ILE 33 1HG1 ILE 33 -11.448 0.549 8.717 268 1HG2 ILE 33 1HG2 ILE 33 -11.203 -1.311 7.260 269 2HG2 ILE 33 2HG2 ILE 33 -10.562 -0.920 5.666 270 3HG2 ILE 33 3HG2 ILE 33 -12.281 -1.262 5.865 271 1HD1 ILE 33 1HD1 ILE 33 -9.336 -0.228 7.645 272 2HD1 ILE 33 2HD1 ILE 33 -9.059 1.070 8.805 273 3HD1 ILE 33 3HD1 ILE 33 -9.048 1.417 7.078 274 H PHE 34 H PHE 34 -10.193 1.590 3.053 275 HA PHE 34 HA PHE 34 -12.777 1.065 1.727 276 1HB PHE 34 2HB PHE 34 -10.084 2.025 0.898 277 2HB PHE 34 1HB PHE 34 -10.995 1.116 -0.308 278 HD1 PHE 34 1HD PHE 34 -10.590 4.288 1.317 279 HD2 PHE 34 2HD PHE 34 -13.440 1.820 -0.742 280 HE1 PHE 34 1HE PHE 34 -11.995 6.283 0.872 281 HE2 PHE 34 2HE PHE 34 -14.844 3.815 -1.189 282 HZ PHE 34 HZ PHE 34 -14.122 6.046 -0.380 283 H THR 35 H THR 35 -13.165 -1.110 2.336 284 HA THR 35 HA THR 35 -11.165 -3.131 1.460 285 HB THR 35 HB THR 35 -12.014 -3.372 3.749 286 HG1 THR 35 1HG THR 35 -13.227 -5.338 2.115 287 1HG2 THR 35 1HG2 THR 35 -14.154 -2.922 4.266 288 2HG2 THR 35 2HG2 THR 35 -14.706 -4.209 3.197 289 3HG2 THR 35 3HG2 THR 35 -14.476 -2.580 2.566 290 H ASP 36 H ASP 36 -12.071 -5.086 0.341 291 HA ASP 36 HA ASP 36 -14.281 -4.308 -1.524 292 1HB ASP 36 2HB ASP 36 -11.887 -6.109 -2.009 293 2HB ASP 36 1HB ASP 36 -13.178 -5.809 -3.171 294 H LYS 37 H LYS 37 -16.085 -5.397 -0.877 295 HA LYS 37 HA LYS 37 -15.982 -7.875 0.611 296 1HB LYS 37 2HB LYS 37 -17.864 -5.984 0.397 297 2HB LYS 37 1HB LYS 37 -18.469 -7.089 -0.840 298 1HG LYS 37 2HG LYS 37 -19.487 -7.696 1.275 299 2HG LYS 37 1HG LYS 37 -18.325 -8.950 0.842 300 1HD LYS 37 2HD LYS 37 -16.909 -8.422 2.565 301 2HD LYS 37 1HD LYS 37 -17.257 -6.698 2.459 302 1HE LYS 37 2HE LYS 37 -18.127 -7.742 4.561 303 2HE LYS 37 1HE LYS 37 -19.396 -7.009 3.578 304 1HZ LYS 37 1HZ LYS 37 -18.680 -9.875 3.374 305 2HZ LYS 37 2HZ LYS 37 -20.072 -9.097 2.786 306 3HZ LYS 37 3HZ LYS 37 -19.856 -9.307 4.458 307 H ALA 38 H ALA 38 -14.514 -8.898 -1.101 308 HA ALA 38 HA ALA 38 -15.380 -9.661 -3.680 309 1HB ALA 38 1HB ALA 38 -13.575 -11.063 -1.692 310 2HB ALA 38 2HB ALA 38 -13.092 -10.025 -3.034 311 3HB ALA 38 3HB ALA 38 -13.793 -11.611 -3.354 312 H SER 39 H SER 39 -16.446 -10.808 -0.571 313 HA SER 39 HA SER 39 -17.322 -13.418 -1.165 314 1HB SER 39 2HB SER 39 -18.079 -11.320 0.786 315 2HB SER 39 1HB SER 39 -19.286 -12.572 0.504 316 HG SER 39 HG SER 39 -17.865 -14.095 1.168 317 H GLY 40 H GLY 40 -18.593 -10.378 -2.304 318 1HA GLY 40 2HA GLY 40 -21.279 -11.087 -2.873 319 2HA GLY 40 1HA GLY 40 -20.344 -9.910 -3.796 320 H SER 41 H SER 41 -21.800 -11.035 -5.526 321 HA SER 41 HA SER 41 -21.262 -13.691 -6.409 322 1HB SER 41 2HB SER 41 -22.400 -11.229 -7.669 323 2HB SER 41 1HB SER 41 -21.929 -12.557 -8.725 324 HG SER 41 HG SER 41 -23.678 -12.690 -6.488 325 H SER 42 H SER 42 -19.663 -10.617 -7.107 326 HA SER 42 HA SER 42 -17.435 -12.161 -8.364 327 1HB SER 42 2HB SER 42 -18.691 -9.580 -9.328 328 2HB SER 42 1HB SER 42 -17.109 -10.135 -9.869 329 HG SER 42 HG SER 42 -18.157 -11.347 -11.214 330 H SER 43 H SER 43 -15.423 -10.579 -8.486 331 HA SER 43 HA SER 43 -14.770 -9.838 -5.789 332 1HB SER 43 2HB SER 43 -13.294 -8.718 -8.150 333 2HB SER 43 1HB SER 43 -12.657 -9.290 -6.611 334 HG SER 43 HG SER 43 -13.324 -10.679 -8.911 335 H ASP 44 H ASP 44 -15.429 -8.043 -4.740 336 HA ASP 44 HA ASP 44 -16.724 -5.854 -6.139 337 1HB ASP 44 2HB ASP 44 -16.126 -6.522 -3.278 338 2HB ASP 44 1HB ASP 44 -16.559 -4.863 -3.692 339 H ARG 45 H ARG 45 -14.637 -5.526 -7.457 340 HA ARG 45 HA ARG 45 -12.360 -4.302 -6.154 341 1HB ARG 45 2HB ARG 45 -12.879 -5.351 -8.675 342 2HB ARG 45 1HB ARG 45 -12.725 -3.625 -8.991 343 1HG ARG 45 2HG ARG 45 -10.623 -3.941 -7.338 344 2HG ARG 45 1HG ARG 45 -10.686 -5.563 -8.025 345 1HD ARG 45 2HD ARG 45 -10.569 -4.661 -10.284 346 2HD ARG 45 1HD ARG 45 -10.641 -3.013 -9.663 347 HE ARG 45 HE ARG 45 -8.435 -4.081 -8.390 348 1HH1 ARG 45 1HH2 ARG 45 -9.447 -3.836 -11.728 349 2HH1 ARG 45 2HH2 ARG 45 -7.824 -3.772 -12.320 350 1HH2 ARG 45 1HH1 ARG 45 -6.352 -3.997 -9.200 351 2HH2 ARG 45 2HH1 ARG 45 -6.090 -3.862 -10.907 352 H LYS 46 H LYS 46 -14.008 -2.838 -4.926 353 HA LYS 46 HA LYS 46 -14.474 -0.334 -6.495 354 1HB LYS 46 2HB LYS 46 -15.857 -1.395 -4.013 355 2HB LYS 46 1HB LYS 46 -16.148 0.204 -4.703 356 1HG LYS 46 2HG LYS 46 -16.777 -0.894 -6.861 357 2HG LYS 46 1HG LYS 46 -16.612 -2.462 -6.070 358 1HD LYS 46 2HD LYS 46 -18.486 -2.142 -4.736 359 2HD LYS 46 1HD LYS 46 -18.350 -0.384 -4.788 360 1HE LYS 46 2HE LYS 46 -20.128 -0.666 -6.235 361 2HE LYS 46 1HE LYS 46 -18.799 -0.794 -7.386 362 1HZ LYS 46 1HZ LYS 46 -18.872 -3.268 -6.844 363 2HZ LYS 46 2HZ LYS 46 -20.115 -2.643 -7.819 364 3HZ LYS 46 3HZ LYS 46 -20.398 -2.961 -6.174 365 H GLY 47 H GLY 47 -12.762 -1.740 -3.819 366 1HA GLY 47 2HA GLY 47 -12.334 0.536 -2.183 367 2HA GLY 47 1HA GLY 47 -11.216 -0.818 -2.323 368 H LEU 48 H LEU 48 -9.749 -0.760 -4.271 369 HA LEU 48 HA LEU 48 -8.282 1.655 -4.409 370 1HB LEU 48 2HB LEU 48 -7.661 0.592 -6.873 371 2HB LEU 48 1HB LEU 48 -6.870 0.158 -5.369 372 HG LEU 48 HG LEU 48 -8.352 -1.777 -5.111 373 1HD1 LEU 48 1HD1 LEU 48 -10.425 -1.374 -6.024 374 2HD1 LEU 48 2HD1 LEU 48 -9.705 -2.174 -7.420 375 3HD1 LEU 48 3HD1 LEU 48 -9.766 -0.414 -7.348 376 1HD2 LEU 48 1HD2 LEU 48 -7.376 -3.107 -6.792 377 2HD2 LEU 48 2HD2 LEU 48 -6.262 -1.747 -6.662 378 3HD2 LEU 48 3HD2 LEU 48 -7.432 -1.806 -7.981 379 H ASP 49 H ASP 49 -11.124 0.690 -6.189 380 HA ASP 49 HA ASP 49 -10.959 2.535 -8.364 381 1HB ASP 49 2HB ASP 49 -12.717 0.596 -7.683 382 2HB ASP 49 1HB ASP 49 -13.634 2.014 -7.170 383 H LEU 50 H LEU 50 -12.691 2.848 -5.244 384 HA LEU 50 HA LEU 50 -13.150 5.707 -5.665 385 1HB LEU 50 2HB LEU 50 -13.439 4.134 -3.086 386 2HB LEU 50 1HB LEU 50 -14.214 5.664 -3.497 387 HG LEU 50 HG LEU 50 -14.661 3.135 -5.098 388 1HD1 LEU 50 1HD1 LEU 50 -16.253 4.239 -2.763 389 2HD1 LEU 50 2HD1 LEU 50 -15.404 2.693 -2.819 390 3HD1 LEU 50 3HD1 LEU 50 -16.815 2.961 -3.843 391 1HD2 LEU 50 1HD2 LEU 50 -16.596 4.346 -5.937 392 2HD2 LEU 50 2HD2 LEU 50 -15.172 5.372 -6.124 393 3HD2 LEU 50 3HD2 LEU 50 -16.307 5.667 -4.806 394 H LEU 51 H LEU 51 -10.806 3.681 -4.016 395 HA LEU 51 HA LEU 51 -9.595 5.613 -2.311 396 1HB LEU 51 2HB LEU 51 -9.189 3.002 -2.662 397 2HB LEU 51 1HB LEU 51 -7.908 3.579 -3.727 398 HG LEU 51 HG LEU 51 -7.140 5.055 -1.798 399 1HD1 LEU 51 1HD1 LEU 51 -8.560 3.172 0.030 400 2HD1 LEU 51 2HD1 LEU 51 -9.492 4.503 -0.655 401 3HD1 LEU 51 3HD1 LEU 51 -8.055 4.837 0.310 402 1HD2 LEU 51 1HD2 LEU 51 -7.095 2.034 -1.594 403 2HD2 LEU 51 2HD2 LEU 51 -6.106 3.080 -0.575 404 3HD2 LEU 51 3HD2 LEU 51 -5.877 3.080 -2.325 405 H ARG 52 H ARG 52 -9.157 4.899 -5.746 406 HA ARG 52 HA ARG 52 -6.857 6.540 -6.193 407 1HB ARG 52 2HB ARG 52 -9.100 5.607 -7.992 408 2HB ARG 52 1HB ARG 52 -7.769 6.598 -8.590 409 1HG ARG 52 2HG ARG 52 -6.170 4.932 -8.174 410 2HG ARG 52 1HG ARG 52 -7.204 4.098 -7.013 411 1HD ARG 52 2HD ARG 52 -7.027 2.913 -9.218 412 2HD ARG 52 1HD ARG 52 -8.682 3.343 -8.784 413 HE ARG 52 HE ARG 52 -7.553 5.459 -10.340 414 1HH1 ARG 52 1HH2 ARG 52 -8.667 2.159 -10.652 415 2HH1 ARG 52 2HH2 ARG 52 -9.091 2.353 -12.315 416 1HH2 ARG 52 1HH1 ARG 52 -8.117 5.666 -12.493 417 2HH2 ARG 52 2HH1 ARG 52 -8.784 4.317 -13.350 418 H MET 53 H MET 53 -10.256 7.291 -5.824 419 HA MET 53 HA MET 53 -9.677 10.129 -6.542 420 1HB MET 53 2HB MET 53 -11.997 10.384 -7.087 421 2HB MET 53 1HB MET 53 -11.469 8.882 -7.836 422 1HG MET 53 2HG MET 53 -12.429 7.599 -5.960 423 2HG MET 53 1HG MET 53 -12.938 9.100 -5.189 424 1HE MET 53 1HE MET 53 -16.346 7.834 -6.179 425 2HE MET 53 2HE MET 53 -15.542 8.985 -5.115 426 3HE MET 53 3HE MET 53 -14.961 7.325 -5.204 427 H LYS 54 H LYS 54 -9.801 8.269 -3.824 428 HA LYS 54 HA LYS 54 -11.178 10.374 -2.218 429 1HB LYS 54 2HB LYS 54 -12.019 8.015 -2.030 430 2HB LYS 54 1HB LYS 54 -10.447 7.557 -1.378 431 1HG LYS 54 2HG LYS 54 -11.025 8.292 0.667 432 2HG LYS 54 1HG LYS 54 -11.417 9.886 0.031 433 1HD LYS 54 2HD LYS 54 -13.455 7.903 -0.660 434 2HD LYS 54 1HD LYS 54 -13.228 8.037 1.082 435 1HE LYS 54 2HE LYS 54 -14.857 9.682 0.565 436 2HE LYS 54 1HE LYS 54 -13.349 10.585 0.728 437 1HZ LYS 54 1HZ LYS 54 -14.465 9.608 -1.844 438 2HZ LYS 54 2HZ LYS 54 -13.085 10.577 -1.643 439 3HZ LYS 54 3HZ LYS 54 -14.622 11.195 -1.266 440 H VAL 55 H VAL 55 -8.135 8.695 -2.706 441 HA VAL 55 HA VAL 55 -6.823 9.421 -0.283 442 HB VAL 55 HB VAL 55 -4.715 9.143 -1.590 443 1HG1 VAL 55 1HG1 VAL 55 -5.532 7.115 -0.736 444 2HG1 VAL 55 2HG1 VAL 55 -5.373 6.771 -2.456 445 3HG1 VAL 55 3HG1 VAL 55 -6.957 7.141 -1.775 446 1HG2 VAL 55 1HG2 VAL 55 -4.813 8.634 -3.956 447 2HG2 VAL 55 2HG2 VAL 55 -5.664 10.158 -3.699 448 3HG2 VAL 55 3HG2 VAL 55 -6.576 8.670 -3.939 449 H GLU 56 H GLU 56 -5.082 11.096 -0.089 450 HA GLU 56 HA GLU 56 -5.781 13.574 -1.610 451 1HB GLU 56 2HB GLU 56 -5.610 13.045 1.284 452 2HB GLU 56 1HB GLU 56 -4.708 14.468 0.771 453 1HG GLU 56 2HG GLU 56 -6.924 15.227 1.263 454 2HG GLU 56 1HG GLU 56 -6.801 15.183 -0.496 455 H GLU 57 H GLU 57 -3.950 15.122 -1.775 456 HA GLU 57 HA GLU 57 -1.549 13.864 -2.680 457 1HB GLU 57 2HB GLU 57 -2.611 16.323 -3.023 458 2HB GLU 57 1HB GLU 57 -1.397 16.700 -1.799 459 1HG GLU 57 2HG GLU 57 0.378 16.097 -3.175 460 2HG GLU 57 1HG GLU 57 -0.611 14.999 -4.140 461 H GLY 58 H GLY 58 -0.129 12.847 -1.369 462 1HA GLY 58 2HA GLY 58 1.629 12.886 0.278 463 2HA GLY 58 1HA GLY 58 0.828 14.248 1.063 464 H ASP 59 H ASP 59 -1.057 11.467 0.105 465 HA ASP 59 HA ASP 59 -1.586 10.905 2.971 466 1HB ASP 59 2HB ASP 59 -3.026 10.402 0.396 467 2HB ASP 59 1HB ASP 59 -3.336 9.316 1.750 468 H VAL 60 H VAL 60 -1.606 8.639 3.705 469 HA VAL 60 HA VAL 60 0.378 6.980 2.192 470 HB VAL 60 HB VAL 60 0.584 5.808 4.524 471 1HG1 VAL 60 1HG1 VAL 60 2.203 7.403 3.233 472 2HG1 VAL 60 2HG1 VAL 60 2.495 7.080 4.942 473 3HG1 VAL 60 3HG1 VAL 60 1.723 8.587 4.448 474 1HG2 VAL 60 1HG2 VAL 60 -0.390 8.555 5.379 475 2HG2 VAL 60 2HG2 VAL 60 0.168 7.257 6.437 476 3HG2 VAL 60 3HG2 VAL 60 -1.334 7.071 5.530 477 H ILE 61 H ILE 61 -0.520 5.276 1.205 478 HA ILE 61 HA ILE 61 -3.136 4.244 2.161 479 HB ILE 61 HB ILE 61 -1.570 3.708 -0.383 480 1HG1 ILE 61 2HG1 ILE 61 -4.189 5.165 -0.219 481 2HG1 ILE 61 1HG1 ILE 61 -2.701 6.028 0.170 482 1HG2 ILE 61 1HG2 ILE 61 -4.272 2.765 0.589 483 2HG2 ILE 61 2HG2 ILE 61 -2.936 1.793 -0.024 484 3HG2 ILE 61 3HG2 ILE 61 -3.861 2.812 -1.125 485 1HD1 ILE 61 1HD1 ILE 61 -3.434 6.148 -2.268 486 2HD1 ILE 61 2HD1 ILE 61 -3.038 4.432 -2.378 487 3HD1 ILE 61 3HD1 ILE 61 -1.778 5.605 -1.995 488 H LEU 62 H LEU 62 -2.798 2.766 3.780 489 HA LEU 62 HA LEU 62 -0.481 0.990 3.777 490 1HB LEU 62 2HB LEU 62 -2.757 1.570 5.588 491 2HB LEU 62 1HB LEU 62 -2.120 -0.071 5.667 492 HG LEU 62 HG LEU 62 -0.222 2.257 5.686 493 1HD1 LEU 62 1HD1 LEU 62 -2.012 2.630 7.430 494 2HD1 LEU 62 2HD1 LEU 62 -0.384 2.444 8.081 495 3HD1 LEU 62 3HD1 LEU 62 -1.525 1.101 8.161 496 1HD2 LEU 62 1HD2 LEU 62 -0.244 -0.589 6.715 497 2HD2 LEU 62 2HD2 LEU 62 1.002 0.571 7.175 498 3HD2 LEU 62 3HD2 LEU 62 0.809 0.107 5.485 499 H VAL 63 H VAL 63 -0.389 -0.901 2.692 500 HA VAL 63 HA VAL 63 -2.965 -2.148 1.818 501 HB VAL 63 HB VAL 63 -0.215 -2.431 0.565 502 1HG1 VAL 63 1HG1 VAL 63 -1.958 -3.147 -1.351 503 2HG1 VAL 63 2HG1 VAL 63 -2.908 -3.607 0.061 504 3HG1 VAL 63 3HG1 VAL 63 -1.312 -4.309 -0.194 505 1HG2 VAL 63 1HG2 VAL 63 -1.163 -0.134 0.366 506 2HG2 VAL 63 2HG2 VAL 63 -2.617 -0.822 -0.357 507 3HG2 VAL 63 3HG2 VAL 63 -1.070 -0.955 -1.192 508 H LYS 64 H LYS 64 -3.440 -3.900 3.012 509 HA LYS 64 HA LYS 64 -1.198 -5.673 3.890 510 1HB LYS 64 2HB LYS 64 -2.937 -4.261 5.539 511 2HB LYS 64 1HB LYS 64 -3.664 -5.863 5.481 512 1HG LYS 64 2HG LYS 64 -1.653 -6.904 6.267 513 2HG LYS 64 1HG LYS 64 -0.724 -5.422 6.039 514 1HD LYS 64 2HD LYS 64 -1.751 -4.349 7.868 515 2HD LYS 64 1HD LYS 64 -3.098 -5.487 7.895 516 1HE LYS 64 2HE LYS 64 -1.604 -7.279 8.643 517 2HE LYS 64 1HE LYS 64 -0.222 -6.189 8.551 518 1HZ LYS 64 1HZ LYS 64 -1.131 -4.840 10.265 519 2HZ LYS 64 2HZ LYS 64 -1.175 -6.448 10.812 520 3HZ LYS 64 3HZ LYS 64 -2.595 -5.696 10.261 521 H LYS 65 H LYS 65 -1.842 -6.479 1.594 522 HA LYS 65 HA LYS 65 -4.309 -7.807 1.110 523 1HB LYS 65 2HB LYS 65 -3.015 -9.089 -0.611 524 2HB LYS 65 1HB LYS 65 -2.760 -7.346 -0.706 525 1HG LYS 65 2HG LYS 65 -0.582 -7.487 -0.011 526 2HG LYS 65 1HG LYS 65 -0.906 -8.843 1.068 527 1HD LYS 65 2HD LYS 65 -1.217 -10.267 -1.027 528 2HD LYS 65 1HD LYS 65 -0.539 -8.914 -1.933 529 1HE LYS 65 2HE LYS 65 1.334 -10.282 -1.462 530 2HE LYS 65 1HE LYS 65 1.414 -9.010 -0.243 531 1HZ LYS 65 1HZ LYS 65 1.646 -11.446 0.490 532 2HZ LYS 65 2HZ LYS 65 -0.041 -11.514 0.302 533 3HZ LYS 65 3HZ LYS 65 0.651 -10.418 1.400 534 H LEU 66 H LEU 66 -4.781 -10.101 1.149 535 HA LEU 66 HA LEU 66 -3.585 -11.450 3.495 536 1HB LEU 66 2HB LEU 66 -6.099 -11.705 1.917 537 2HB LEU 66 1HB LEU 66 -5.476 -13.177 2.662 538 HG LEU 66 HG LEU 66 -5.518 -10.739 4.366 539 1HD1 LEU 66 1HD1 LEU 66 -7.713 -10.760 3.081 540 2HD1 LEU 66 2HD1 LEU 66 -7.869 -10.875 4.834 541 3HD1 LEU 66 3HD1 LEU 66 -8.046 -12.319 3.836 542 1HD2 LEU 66 1HD2 LEU 66 -5.810 -13.709 4.620 543 2HD2 LEU 66 2HD2 LEU 66 -6.541 -12.693 5.862 544 3HD2 LEU 66 3HD2 LEU 66 -4.808 -12.598 5.555 545 H ASP 67 H ASP 67 -3.941 -11.867 -0.002 546 HA ASP 67 HA ASP 67 -1.878 -14.027 0.139 547 1HB ASP 67 2HB ASP 67 -4.367 -13.947 -1.593 548 2HB ASP 67 1HB ASP 67 -3.052 -15.105 -1.803 549 H ARG 68 H ARG 68 -3.557 -11.820 -2.133 550 HA ARG 68 HA ARG 68 -1.017 -10.720 -3.053 551 1HB ARG 68 2HB ARG 68 -1.382 -13.008 -4.253 552 2HB ARG 68 1HB ARG 68 -2.624 -12.148 -5.163 553 1HG ARG 68 2HG ARG 68 -0.905 -10.411 -5.746 554 2HG ARG 68 1HG ARG 68 0.314 -11.427 -4.977 555 1HD ARG 68 2HD ARG 68 -1.485 -12.426 -7.195 556 2HD ARG 68 1HD ARG 68 0.098 -11.710 -7.497 557 HE ARG 68 HE ARG 68 0.624 -13.670 -5.621 558 1HH1 ARG 68 1HH2 ARG 68 -0.989 -13.628 -8.725 559 2HH1 ARG 68 2HH2 ARG 68 -0.563 -15.267 -9.080 560 1HH2 ARG 68 1HH1 ARG 68 1.153 -15.787 -6.125 561 2HH2 ARG 68 2HH1 ARG 68 0.637 -16.475 -7.628 562 H LEU 69 H LEU 69 -1.358 -8.874 -4.461 563 HA LEU 69 HA LEU 69 -3.629 -7.301 -3.911 564 1HB LEU 69 2HB LEU 69 -1.519 -7.259 -6.057 565 2HB LEU 69 1HB LEU 69 -2.834 -6.091 -6.087 566 HG LEU 69 HG LEU 69 -0.693 -5.361 -4.913 567 1HD1 LEU 69 1HD1 LEU 69 -2.765 -4.148 -4.601 568 2HD1 LEU 69 2HD1 LEU 69 -1.964 -4.292 -3.036 569 3HD1 LEU 69 3HD1 LEU 69 -3.330 -5.338 -3.430 570 1HD2 LEU 69 1HD2 LEU 69 -0.206 -7.427 -3.679 571 2HD2 LEU 69 2HD2 LEU 69 -1.718 -7.263 -2.786 572 3HD2 LEU 69 3HD2 LEU 69 -0.426 -6.083 -2.558 573 H GLY 70 H GLY 70 -2.878 -8.919 -7.026 574 1HA GLY 70 2HA GLY 70 -5.827 -9.095 -7.504 575 2HA GLY 70 1HA GLY 70 -4.688 -8.722 -8.798 576 H ARG 71 H ARG 71 -3.759 -10.405 -9.889 577 HA ARG 71 HA ARG 71 -3.457 -13.051 -8.697 578 1HB ARG 71 2HB ARG 71 -5.910 -12.922 -9.357 579 2HB ARG 71 1HB ARG 71 -5.371 -12.794 -11.032 580 1HG ARG 71 2HG ARG 71 -4.668 -14.977 -11.118 581 2HG ARG 71 1HG ARG 71 -4.199 -15.004 -9.417 582 1HD ARG 71 2HD ARG 71 -6.198 -16.430 -9.895 583 2HD ARG 71 1HD ARG 71 -6.530 -15.149 -8.729 584 HE ARG 71 HE ARG 71 -7.126 -14.294 -11.429 585 1HH1 ARG 71 1HH2 ARG 71 -8.340 -16.169 -8.739 586 2HH1 ARG 71 2HH2 ARG 71 -9.992 -15.950 -9.201 587 1HH2 ARG 71 1HH1 ARG 71 -9.277 -14.039 -11.993 588 2HH2 ARG 71 2HH1 ARG 71 -10.519 -14.759 -11.024 589 H ASP 72 H ASP 72 -3.662 -11.243 -11.770 590 HA ASP 72 HA ASP 72 -0.961 -12.222 -12.470 591 1HB ASP 72 2HB ASP 72 -3.458 -12.802 -14.066 592 2HB ASP 72 1HB ASP 72 -1.864 -12.776 -14.818 593 H THR 73 H THR 73 -3.777 -10.289 -13.513 594 HA THR 73 HA THR 73 -2.317 -8.583 -15.296 595 HB THR 73 HB THR 73 -4.788 -7.819 -13.719 596 HG1 THR 73 1HG THR 73 -4.578 -9.243 -16.162 597 1HG2 THR 73 1HG2 THR 73 -5.222 -6.641 -15.977 598 2HG2 THR 73 2HG2 THR 73 -3.513 -6.927 -16.303 599 3HG2 THR 73 3HG2 THR 73 -3.995 -5.943 -14.920 600 H ALA 74 H ALA 74 -1.918 -6.217 -14.866 601 HA ALA 74 HA ALA 74 -0.200 -5.834 -12.621 602 1HB ALA 74 1HB ALA 74 -0.498 -3.349 -13.233 603 2HB ALA 74 2HB ALA 74 -1.541 -3.921 -14.535 604 3HB ALA 74 3HB ALA 74 0.154 -4.408 -14.483 605 H ASP 75 H ASP 75 -1.338 -6.388 -10.714 606 HA ASP 75 HA ASP 75 -3.580 -4.552 -9.982 607 1HB ASP 75 2HB ASP 75 -3.943 -7.091 -9.957 608 2HB ASP 75 1HB ASP 75 -2.869 -7.126 -8.560 609 H MET 76 H MET 76 -0.355 -5.607 -9.175 610 HA MET 76 HA MET 76 -0.418 -3.971 -6.685 611 1HB MET 76 2HB MET 76 0.387 -6.322 -6.492 612 2HB MET 76 1HB MET 76 1.674 -5.951 -7.634 613 1HG MET 76 2HG MET 76 1.533 -4.014 -5.432 614 2HG MET 76 1HG MET 76 1.819 -5.658 -4.867 615 1HE MET 76 1HE MET 76 5.339 -5.801 -4.841 616 2HE MET 76 2HE MET 76 3.734 -6.096 -4.178 617 3HE MET 76 3HE MET 76 4.466 -4.502 -4.018 618 H ILE 77 H ILE 77 0.259 -3.536 -9.899 619 HA ILE 77 HA ILE 77 2.480 -1.636 -9.307 620 HB ILE 77 HB ILE 77 1.908 -3.101 -11.902 621 1HG1 ILE 77 2HG1 ILE 77 4.319 -4.013 -11.070 622 2HG1 ILE 77 1HG1 ILE 77 3.552 -3.742 -9.505 623 1HG2 ILE 77 1HG2 ILE 77 3.652 -1.943 -12.825 624 2HG2 ILE 77 2HG2 ILE 77 4.532 -1.842 -11.300 625 3HG2 ILE 77 3HG2 ILE 77 3.194 -0.739 -11.622 626 1HD1 ILE 77 1HD1 ILE 77 2.861 -5.698 -11.637 627 2HD1 ILE 77 2HD1 ILE 77 1.512 -4.965 -10.771 628 3HD1 ILE 77 3HD1 ILE 77 2.748 -5.858 -9.885 629 H GLN 78 H GLN 78 -0.534 -2.195 -11.089 630 HA GLN 78 HA GLN 78 -0.601 0.262 -12.525 631 1HB GLN 78 2HB GLN 78 -2.205 -1.953 -12.395 632 2HB GLN 78 1HB GLN 78 -3.212 -0.757 -11.585 633 1HG GLN 78 2HG GLN 78 -3.684 -0.720 -13.974 634 2HG GLN 78 1HG GLN 78 -2.879 0.781 -13.514 635 1HE2 GLN 78 1HE2 GLN 78 -0.873 1.256 -14.509 636 2HE2 GLN 78 2HE2 GLN 78 -0.080 0.207 -15.583 637 H LEU 79 H LEU 79 -2.761 -0.412 -9.734 638 HA LEU 79 HA LEU 79 -3.157 2.362 -9.236 639 1HB LEU 79 2HB LEU 79 -4.361 1.769 -7.269 640 2HB LEU 79 1HB LEU 79 -4.695 0.523 -8.455 641 HG LEU 79 HG LEU 79 -4.371 -0.618 -6.408 642 1HD1 LEU 79 1HD1 LEU 79 -1.738 -0.743 -7.870 643 2HD1 LEU 79 2HD1 LEU 79 -3.168 -1.695 -8.234 644 3HD1 LEU 79 3HD1 LEU 79 -2.314 -1.927 -6.708 645 1HD2 LEU 79 1HD2 LEU 79 -2.910 -0.068 -4.732 646 2HD2 LEU 79 2HD2 LEU 79 -3.084 1.516 -5.489 647 3HD2 LEU 79 3HD2 LEU 79 -1.678 0.518 -5.848 648 H ILE 80 H ILE 80 -0.421 0.431 -8.530 649 HA ILE 80 HA ILE 80 0.447 1.983 -6.218 650 HB ILE 80 HB ILE 80 1.510 -0.284 -7.856 651 1HG1 ILE 80 2HG1 ILE 80 2.233 -0.822 -5.359 652 2HG1 ILE 80 1HG1 ILE 80 1.049 0.429 -4.988 653 1HG2 ILE 80 1HG2 ILE 80 3.299 1.700 -6.451 654 2HG2 ILE 80 2HG2 ILE 80 3.517 0.950 -8.032 655 3HG2 ILE 80 3HG2 ILE 80 3.747 -0.001 -6.565 656 1HD1 ILE 80 1HD1 ILE 80 -0.086 -1.317 -6.956 657 2HD1 ILE 80 2HD1 ILE 80 -0.618 -1.047 -5.296 658 3HD1 ILE 80 3HD1 ILE 80 0.566 -2.299 -5.649 659 H LYS 81 H LYS 81 0.841 2.037 -9.723 660 HA LYS 81 HA LYS 81 2.865 4.158 -9.656 661 1HB LYS 81 2HB LYS 81 1.722 2.386 -11.633 662 2HB LYS 81 1HB LYS 81 1.605 4.046 -12.213 663 1HG LYS 81 2HG LYS 81 3.763 3.825 -12.849 664 2HG LYS 81 1HG LYS 81 4.166 3.941 -11.136 665 1HD LYS 81 2HD LYS 81 5.184 1.927 -11.651 666 2HD LYS 81 1HD LYS 81 3.585 1.349 -11.179 667 1HE LYS 81 2HE LYS 81 3.752 0.287 -13.222 668 2HE LYS 81 1HE LYS 81 3.075 1.820 -13.766 669 1HZ LYS 81 1HZ LYS 81 5.424 2.590 -14.043 670 2HZ LYS 81 2HZ LYS 81 4.938 1.368 -15.118 671 3HZ LYS 81 3HZ LYS 81 5.920 0.989 -13.784 672 H GLU 82 H GLU 82 -0.627 3.874 -10.056 673 HA GLU 82 HA GLU 82 -1.171 6.542 -10.912 674 1HB GLU 82 2HB GLU 82 -2.701 4.338 -10.518 675 2HB GLU 82 1HB GLU 82 -3.114 5.255 -9.068 676 1HG GLU 82 2HG GLU 82 -3.061 6.752 -11.643 677 2HG GLU 82 1HG GLU 82 -4.395 5.625 -11.400 678 H PHE 83 H PHE 83 -1.112 5.121 -7.633 679 HA PHE 83 HA PHE 83 -1.601 7.633 -6.292 680 1HB PHE 83 2HB PHE 83 -0.449 4.994 -5.356 681 2HB PHE 83 1HB PHE 83 -0.699 6.364 -4.274 682 HD1 PHE 83 1HD PHE 83 -2.107 3.384 -5.067 683 HD2 PHE 83 2HD PHE 83 -3.190 7.539 -4.970 684 HE1 PHE 83 1HE PHE 83 -4.494 2.756 -4.824 685 HE2 PHE 83 2HE PHE 83 -5.575 6.911 -4.725 686 HZ PHE 83 HZ PHE 83 -6.227 4.519 -4.654 687 H ASP 84 H ASP 84 1.277 5.951 -7.416 688 HA ASP 84 HA ASP 84 3.225 7.463 -5.961 689 1HB ASP 84 2HB ASP 84 3.491 5.318 -7.455 690 2HB ASP 84 1HB ASP 84 3.727 6.479 -8.761 691 H ALA 85 H ALA 85 1.598 7.993 -9.061 692 HA ALA 85 HA ALA 85 3.097 10.449 -9.610 693 1HB ALA 85 1HB ALA 85 0.804 9.018 -10.946 694 2HB ALA 85 2HB ALA 85 2.431 9.309 -11.563 695 3HB ALA 85 3HB ALA 85 1.281 10.641 -11.450 696 H GLN 86 H GLN 86 0.205 9.614 -7.868 697 HA GLN 86 HA GLN 86 -0.968 12.282 -8.087 698 1HB GLN 86 2HB GLN 86 -1.755 9.662 -7.051 699 2HB GLN 86 1HB GLN 86 -2.223 10.973 -5.973 700 1HG GLN 86 2HG GLN 86 -3.060 12.127 -8.177 701 2HG GLN 86 1HG GLN 86 -3.048 10.484 -8.819 702 1HE2 GLN 86 1HE2 GLN 86 -4.321 8.828 -7.478 703 2HE2 GLN 86 2HE2 GLN 86 -5.710 9.367 -6.665 704 H GLY 87 H GLY 87 1.741 11.345 -6.524 705 1HA GLY 87 2HA GLY 87 2.956 12.393 -4.807 706 2HA GLY 87 1HA GLY 87 1.627 13.544 -4.642 707 H VAL 88 H VAL 88 1.130 10.077 -4.465 708 HA VAL 88 HA VAL 88 0.590 10.368 -1.536 709 HB VAL 88 HB VAL 88 -0.840 8.568 -3.518 710 1HG1 VAL 88 1HG1 VAL 88 -1.562 9.241 -0.652 711 2HG1 VAL 88 2HG1 VAL 88 -0.663 7.792 -1.105 712 3HG1 VAL 88 3HG1 VAL 88 -2.309 8.027 -1.690 713 1HG2 VAL 88 1HG2 VAL 88 -1.585 10.752 -4.015 714 2HG2 VAL 88 2HG2 VAL 88 -1.487 11.265 -2.330 715 3HG2 VAL 88 3HG2 VAL 88 -2.773 10.172 -2.846 716 H SER 89 H SER 89 1.225 8.628 -0.215 717 HA SER 89 HA SER 89 3.196 6.788 -1.480 718 1HB SER 89 2HB SER 89 2.955 8.089 1.182 719 2HB SER 89 1HB SER 89 3.608 6.452 1.172 720 HG SER 89 HG SER 89 4.519 8.675 -0.348 721 H ILE 90 H ILE 90 3.236 4.537 -0.645 722 HA ILE 90 HA ILE 90 0.603 3.624 0.426 723 HB ILE 90 HB ILE 90 2.112 2.224 -1.801 724 1HG1 ILE 90 2HG1 ILE 90 -0.382 3.957 -1.931 725 2HG1 ILE 90 1HG1 ILE 90 1.198 4.387 -2.579 726 1HG2 ILE 90 1HG2 ILE 90 0.425 0.642 -1.754 727 2HG2 ILE 90 2HG2 ILE 90 -0.770 1.781 -1.133 728 3HG2 ILE 90 3HG2 ILE 90 0.441 1.094 -0.049 729 1HD1 ILE 90 1HD1 ILE 90 0.740 1.903 -3.704 730 2HD1 ILE 90 2HD1 ILE 90 0.476 3.447 -4.510 731 3HD1 ILE 90 3HD1 ILE 90 -0.865 2.631 -3.706 732 H ARG 91 H ARG 91 1.244 2.919 2.415 733 HA ARG 91 HA ARG 91 3.834 1.626 2.838 734 1HB ARG 91 2HB ARG 91 1.473 1.831 4.731 735 2HB ARG 91 1HB ARG 91 3.146 1.480 5.165 736 1HG ARG 91 2HG ARG 91 3.699 3.747 4.046 737 2HG ARG 91 1HG ARG 91 1.970 4.073 4.172 738 1HD ARG 91 2HD ARG 91 3.376 3.057 6.604 739 2HD ARG 91 1HD ARG 91 3.644 4.737 6.137 740 HE ARG 91 HE ARG 91 0.876 4.391 6.039 741 1HH1 ARG 91 1HH2 ARG 91 3.381 4.032 8.451 742 2HH1 ARG 91 2HH2 ARG 91 2.317 4.415 9.758 743 1HH2 ARG 91 1HH1 ARG 91 -0.466 4.881 7.761 744 2HH2 ARG 91 2HH1 ARG 91 0.163 4.890 9.374 745 H PHE 92 H PHE 92 4.208 -0.543 2.729 746 HA PHE 92 HA PHE 92 1.975 -2.334 2.060 747 1HB PHE 92 2HB PHE 92 4.958 -2.511 1.994 748 2HB PHE 92 1HB PHE 92 4.047 -4.013 2.124 749 HD1 PHE 92 1HD PHE 92 3.405 -0.792 0.290 750 HD2 PHE 92 2HD PHE 92 3.916 -5.051 0.045 751 HE1 PHE 92 1HE PHE 92 2.895 -0.714 -2.136 752 HE2 PHE 92 2HE PHE 92 3.407 -4.971 -2.380 753 HZ PHE 92 HZ PHE 92 2.896 -2.804 -3.469 754 H ILE 93 H ILE 93 1.858 -4.472 3.175 755 HA ILE 93 HA ILE 93 1.125 -4.374 5.825 756 HB ILE 93 HB ILE 93 0.730 -6.314 4.384 757 1HG1 ILE 93 2HG1 ILE 93 2.338 -7.000 6.875 758 2HG1 ILE 93 1HG1 ILE 93 0.605 -6.687 6.815 759 1HG2 ILE 93 1HG2 ILE 93 3.079 -6.172 3.374 760 2HG2 ILE 93 2HG2 ILE 93 2.466 -7.796 3.690 761 3HG2 ILE 93 3HG2 ILE 93 3.633 -7.063 4.793 762 1HD1 ILE 93 1HD1 ILE 93 0.843 -9.064 6.834 763 2HD1 ILE 93 2HD1 ILE 93 2.110 -9.015 5.610 764 3HD1 ILE 93 3HD1 ILE 93 0.445 -8.632 5.172 765 H ASP 94 H ASP 94 4.464 -4.749 4.657 766 HA ASP 94 HA ASP 94 5.325 -4.770 7.520 767 1HB ASP 94 2HB ASP 94 6.262 -6.268 5.138 768 2HB ASP 94 1HB ASP 94 7.517 -5.697 6.238 769 H ASP 95 H ASP 95 5.445 -2.927 4.602 770 HA ASP 95 HA ASP 95 6.914 -0.811 5.854 771 1HB ASP 95 2HB ASP 95 8.503 -2.886 4.516 772 2HB ASP 95 1HB ASP 95 8.830 -1.268 3.894 773 H GLY 96 H GLY 96 7.329 -1.910 2.491 774 1HA GLY 96 2HA GLY 96 5.469 -0.965 0.904 775 2HA GLY 96 1HA GLY 96 5.931 0.579 1.619 776 H ILE 97 H ILE 97 7.289 -2.201 -0.130 777 HA ILE 97 HA ILE 97 9.707 -0.777 -0.887 778 HB ILE 97 HB ILE 97 8.542 -3.284 -2.124 779 1HG1 ILE 97 2HG1 ILE 97 10.493 -3.033 0.181 780 2HG1 ILE 97 1HG1 ILE 97 8.783 -3.405 0.377 781 1HG2 ILE 97 1HG2 ILE 97 10.322 -2.489 -3.479 782 2HG2 ILE 97 2HG2 ILE 97 11.070 -3.697 -2.433 783 3HG2 ILE 97 3HG2 ILE 97 11.267 -1.980 -2.079 784 1HD1 ILE 97 1HD1 ILE 97 10.580 -5.042 -1.416 785 2HD1 ILE 97 2HD1 ILE 97 8.989 -5.469 -0.786 786 3HD1 ILE 97 3HD1 ILE 97 10.379 -5.411 0.297 787 H SER 98 H SER 98 6.490 -0.969 -2.159 788 HA SER 98 HA SER 98 6.876 -0.568 -4.919 789 1HB SER 98 2HB SER 98 4.751 0.144 -2.965 790 2HB SER 98 1HB SER 98 4.723 1.002 -4.502 791 HG SER 98 HG SER 98 4.863 -1.819 -4.173 792 H THR 99 H THR 99 5.914 2.199 -2.883 793 HA THR 99 HA THR 99 7.684 3.914 -4.549 794 HB THR 99 HB THR 99 5.318 4.603 -4.353 795 HG1 THR 99 1HG THR 99 5.776 6.693 -3.879 796 1HG2 THR 99 1HG2 THR 99 5.610 3.764 -1.684 797 2HG2 THR 99 2HG2 THR 99 4.191 4.523 -2.404 798 3HG2 THR 99 3HG2 THR 99 5.408 5.514 -1.601 799 H ASP 100 H ASP 100 9.208 2.438 -2.922 800 HA ASP 100 HA ASP 100 9.599 3.468 -0.268 801 1HB ASP 100 2HB ASP 100 10.443 1.253 -1.095 802 2HB ASP 100 1HB ASP 100 11.644 2.118 -2.053 803 H GLY 101 H GLY 101 9.500 5.797 -0.755 804 1HA GLY 101 2HA GLY 101 10.553 7.877 -0.967 805 2HA GLY 101 1HA GLY 101 12.088 7.015 -0.859 806 H GLU 102 H GLU 102 9.421 7.538 -3.189 807 HA GLU 102 HA GLU 102 11.489 7.600 -5.352 808 1HB GLU 102 2HB GLU 102 8.593 6.708 -5.433 809 2HB GLU 102 1HB GLU 102 9.588 6.933 -6.874 810 1HG GLU 102 2HG GLU 102 10.552 5.191 -4.614 811 2HG GLU 102 1HG GLU 102 9.445 4.550 -5.829 812 H MET 103 H MET 103 10.168 8.779 -7.376 813 HA MET 103 HA MET 103 8.742 11.170 -6.417 814 1HB MET 103 2HB MET 103 11.426 11.348 -7.822 815 2HB MET 103 1HB MET 103 10.359 12.717 -7.503 816 1HG MET 103 2HG MET 103 10.469 12.111 -5.050 817 2HG MET 103 1HG MET 103 11.725 10.945 -5.463 818 1HE MET 103 1HE MET 103 10.505 14.092 -4.732 819 2HE MET 103 2HE MET 103 11.118 15.143 -6.007 820 3HE MET 103 3HE MET 103 11.907 15.127 -4.432 821 H GLY 104 H GLY 104 10.553 10.124 -9.331 822 1HA GLY 104 2HA GLY 104 9.561 9.443 -11.415 823 2HA GLY 104 1HA GLY 104 8.008 10.060 -10.848 824 H LYS 105 H LYS 105 10.980 11.912 -10.594 825 HA LYS 105 HA LYS 105 9.874 13.815 -12.620 826 1HB LYS 105 2HB LYS 105 11.725 14.389 -10.286 827 2HB LYS 105 1HB LYS 105 11.059 15.584 -11.401 828 1HG LYS 105 2HG LYS 105 8.766 14.407 -10.625 829 2HG LYS 105 1HG LYS 105 9.730 14.123 -9.173 830 1HD LYS 105 2HD LYS 105 10.246 16.516 -9.019 831 2HD LYS 105 1HD LYS 105 9.342 16.822 -10.503 832 1HE LYS 105 2HE LYS 105 7.704 17.300 -8.938 833 2HE LYS 105 1HE LYS 105 7.406 15.578 -9.171 834 1HZ LYS 105 1HZ LYS 105 7.575 16.313 -6.808 835 2HZ LYS 105 2HZ LYS 105 9.216 16.650 -7.082 836 3HZ LYS 105 3HZ LYS 105 8.636 15.061 -7.235 Start of MODEL 15 1 1H MET 1 1HT MET 1 -0.535 14.651 7.744 2 HA MET 1 HA MET 1 -1.785 14.196 5.999 3 1HB MET 1 2HB MET 1 -1.202 12.412 4.470 4 2HB MET 1 1HB MET 1 0.276 13.148 5.065 5 1HG MET 1 2HG MET 1 -0.859 10.719 6.445 6 2HG MET 1 1HG MET 1 0.119 10.546 4.991 7 1HE MET 1 1HE MET 1 0.177 9.617 7.865 8 2HE MET 1 2HE MET 1 1.561 10.105 8.842 9 3HE MET 1 3HE MET 1 1.810 9.102 7.414 10 H ARG 2 H ARG 2 -2.944 11.721 5.113 11 HA ARG 2 HA ARG 2 -4.646 11.133 7.491 12 1HB ARG 2 2HB ARG 2 -5.150 11.331 4.568 13 2HB ARG 2 1HB ARG 2 -6.040 10.075 5.428 14 1HG ARG 2 2HG ARG 2 -6.892 11.723 7.024 15 2HG ARG 2 1HG ARG 2 -5.947 12.993 6.244 16 1HD ARG 2 2HD ARG 2 -7.209 12.687 4.163 17 2HD ARG 2 1HD ARG 2 -8.126 11.369 4.895 18 HE ARG 2 HE ARG 2 -8.440 13.630 6.566 19 1HH1 ARG 2 1HH2 ARG 2 -9.250 12.624 3.315 20 2HH1 ARG 2 2HH2 ARG 2 -10.656 13.629 3.248 21 1HH2 ARG 2 1HH1 ARG 2 -10.266 14.911 6.436 22 2HH2 ARG 2 2HH1 ARG 2 -11.227 14.909 4.995 23 H LEU 3 H LEU 3 -5.373 8.879 7.759 24 HA LEU 3 HA LEU 3 -3.231 6.967 6.944 25 1HB LEU 3 2HB LEU 3 -5.311 6.714 9.137 26 2HB LEU 3 1HB LEU 3 -3.964 5.613 8.845 27 HG LEU 3 HG LEU 3 -3.238 8.476 9.148 28 1HD1 LEU 3 1HD1 LEU 3 -3.879 6.880 11.627 29 2HD1 LEU 3 2HD1 LEU 3 -5.089 7.921 10.878 30 3HD1 LEU 3 3HD1 LEU 3 -3.582 8.612 11.478 31 1HD2 LEU 3 1HD2 LEU 3 -1.255 7.579 9.914 32 2HD2 LEU 3 2HD2 LEU 3 -1.829 6.199 8.977 33 3HD2 LEU 3 3HD2 LEU 3 -2.055 6.232 10.725 34 H PHE 4 H PHE 4 -4.125 6.525 4.842 35 HA PHE 4 HA PHE 4 -6.844 5.352 4.733 36 1HB PHE 4 2HB PHE 4 -4.822 6.223 2.675 37 2HB PHE 4 1HB PHE 4 -6.160 5.167 2.220 38 HD1 PHE 4 1HD PHE 4 -5.242 8.510 3.494 39 HD2 PHE 4 2HD PHE 4 -8.457 5.957 2.231 40 HE1 PHE 4 1HE PHE 4 -6.759 10.469 3.398 41 HE2 PHE 4 2HE PHE 4 -9.974 7.916 2.134 42 HZ PHE 4 HZ PHE 4 -9.126 10.172 2.718 43 H GLY 5 H GLY 5 -7.192 3.180 3.994 44 1HA GLY 5 2HA GLY 5 -4.789 1.439 3.793 45 2HA GLY 5 1HA GLY 5 -6.011 1.040 4.997 46 H TYR 6 H TYR 6 -5.175 -0.506 2.635 47 HA TYR 6 HA TYR 6 -7.748 -0.544 1.107 48 1HB TYR 6 2HB TYR 6 -5.757 -0.079 -0.285 49 2HB TYR 6 1HB TYR 6 -4.994 -1.553 0.306 50 HD1 TYR 6 1HD TYR 6 -8.491 -0.804 -0.851 51 HD2 TYR 6 2HD TYR 6 -4.916 -3.116 -1.423 52 HE1 TYR 6 1HE TYR 6 -9.616 -2.108 -2.634 53 HE2 TYR 6 2HE TYR 6 -6.044 -4.422 -3.202 54 HH TYR 6 HH TYR 6 -8.307 -3.679 -4.867 55 H ALA 7 H ALA 7 -8.891 -2.489 1.046 56 HA ALA 7 HA ALA 7 -7.638 -4.867 2.334 57 1HB ALA 7 1HB ALA 7 -8.870 -4.331 4.188 58 2HB ALA 7 2HB ALA 7 -10.178 -5.083 3.275 59 3HB ALA 7 3HB ALA 7 -9.996 -3.328 3.275 60 H ARG 8 H ARG 8 -8.522 -6.862 1.649 61 HA ARG 8 HA ARG 8 -10.713 -6.882 -0.314 62 1HB ARG 8 2HB ARG 8 -8.002 -6.803 -1.189 63 2HB ARG 8 1HB ARG 8 -8.571 -8.452 -1.448 64 1HG ARG 8 2HG ARG 8 -10.725 -7.127 -2.360 65 2HG ARG 8 1HG ARG 8 -9.492 -5.911 -2.701 66 1HD ARG 8 2HD ARG 8 -9.378 -8.808 -3.587 67 2HD ARG 8 1HD ARG 8 -9.823 -7.449 -4.617 68 HE ARG 8 HE ARG 8 -7.299 -6.848 -3.483 69 1HH1 ARG 8 1HH2 ARG 8 -8.724 -9.179 -5.667 70 2HH1 ARG 8 2HH2 ARG 8 -7.253 -9.402 -6.548 71 1HH2 ARG 8 1HH1 ARG 8 -5.417 -7.169 -4.650 72 2HH2 ARG 8 2HH1 ARG 8 -5.401 -8.277 -5.981 73 H VAL 9 H VAL 9 -11.871 -8.260 0.978 74 HA VAL 9 HA VAL 9 -10.892 -10.346 2.584 75 HB VAL 9 HB VAL 9 -13.201 -11.250 2.500 76 1HG1 VAL 9 1HG1 VAL 9 -13.353 -8.240 2.533 77 2HG1 VAL 9 2HG1 VAL 9 -12.465 -9.116 3.778 78 3HG1 VAL 9 3HG1 VAL 9 -14.194 -9.395 3.565 79 1HG2 VAL 9 1HG2 VAL 9 -13.383 -10.634 -0.018 80 2HG2 VAL 9 2HG2 VAL 9 -13.833 -9.032 0.565 81 3HG2 VAL 9 3HG2 VAL 9 -14.816 -10.431 0.990 82 H SER 10 H SER 10 -11.180 -12.699 2.278 83 HA SER 10 HA SER 10 -11.241 -13.732 -0.464 84 1HB SER 10 2HB SER 10 -8.759 -12.992 0.607 85 2HB SER 10 1HB SER 10 -8.825 -14.738 0.829 86 HG SER 10 HG SER 10 -8.628 -14.962 -1.247 87 H THR 11 H THR 11 -12.632 -14.051 2.218 88 HA THR 11 HA THR 11 -12.547 -17.007 2.235 89 HB THR 11 HB THR 11 -10.983 -16.164 4.039 90 HG1 THR 11 1HG THR 11 -13.320 -17.570 4.791 91 1HG2 THR 11 1HG2 THR 11 -13.275 -15.462 5.780 92 2HG2 THR 11 2HG2 THR 11 -12.881 -14.275 4.539 93 3HG2 THR 11 3HG2 THR 11 -11.657 -14.763 5.711 94 H SER 12 H SER 12 -14.493 -17.945 3.216 95 HA SER 12 HA SER 12 -16.881 -16.469 2.567 96 1HB SER 12 2HB SER 12 -16.263 -19.132 2.998 97 2HB SER 12 1HB SER 12 -17.247 -18.736 4.402 98 HG SER 12 HG SER 12 -17.884 -18.424 1.656 99 H GLN 13 H GLN 13 -15.077 -17.023 5.532 100 HA GLN 13 HA GLN 13 -17.057 -16.178 7.408 101 1HB GLN 13 2HB GLN 13 -14.514 -17.146 7.607 102 2HB GLN 13 1HB GLN 13 -14.246 -15.447 7.995 103 1HG GLN 13 2HG GLN 13 -15.407 -15.573 9.959 104 2HG GLN 13 1HG GLN 13 -16.599 -16.693 9.298 105 1HE2 GLN 13 1HE2 GLN 13 -16.398 -18.203 11.091 106 2HE2 GLN 13 2HE2 GLN 13 -15.002 -19.143 11.312 107 H GLN 14 H GLN 14 -15.859 -14.025 8.783 108 HA GLN 14 HA GLN 14 -16.637 -11.803 7.000 109 1HB GLN 14 2HB GLN 14 -16.580 -10.446 9.075 110 2HB GLN 14 1HB GLN 14 -17.609 -11.867 9.246 111 1HG GLN 14 2HG GLN 14 -15.010 -12.702 10.005 112 2HG GLN 14 1HG GLN 14 -15.255 -11.133 10.768 113 1HE2 GLN 14 1HE2 GLN 14 -15.638 -11.901 12.920 114 2HE2 GLN 14 2HE2 GLN 14 -16.975 -12.864 13.330 115 H SER 15 H SER 15 -14.525 -12.328 5.777 116 HA SER 15 HA SER 15 -11.976 -11.712 6.907 117 1HB SER 15 2HB SER 15 -13.050 -12.330 4.305 118 2HB SER 15 1HB SER 15 -11.927 -10.988 4.168 119 HG SER 15 HG SER 15 -10.396 -12.383 4.429 120 H LEU 16 H LEU 16 -14.519 -9.668 5.577 121 HA LEU 16 HA LEU 16 -13.027 -7.285 5.165 122 1HB LEU 16 2HB LEU 16 -15.284 -7.392 4.359 123 2HB LEU 16 1HB LEU 16 -15.917 -7.743 5.961 124 HG LEU 16 HG LEU 16 -14.377 -5.227 5.790 125 1HD1 LEU 16 1HD1 LEU 16 -15.629 -5.387 3.562 126 2HD1 LEU 16 2HD1 LEU 16 -15.984 -3.969 4.549 127 3HD1 LEU 16 3HD1 LEU 16 -17.116 -5.320 4.510 128 1HD2 LEU 16 1HD2 LEU 16 -15.886 -4.548 7.410 129 2HD2 LEU 16 2HD2 LEU 16 -15.991 -6.296 7.627 130 3HD2 LEU 16 3HD2 LEU 16 -17.222 -5.446 6.690 131 H ASP 17 H ASP 17 -14.644 -8.510 8.103 132 HA ASP 17 HA ASP 17 -13.919 -6.292 9.781 133 1HB ASP 17 2HB ASP 17 -15.543 -8.407 10.129 134 2HB ASP 17 1HB ASP 17 -14.114 -9.026 10.955 135 H ILE 18 H ILE 18 -12.428 -9.467 9.192 136 HA ILE 18 HA ILE 18 -10.180 -9.191 10.919 137 HB ILE 18 HB ILE 18 -10.559 -10.705 8.309 138 1HG1 ILE 18 2HG1 ILE 18 -10.291 -12.093 10.914 139 2HG1 ILE 18 1HG1 ILE 18 -11.745 -11.116 10.730 140 1HG2 ILE 18 1HG2 ILE 18 -8.326 -11.010 10.342 141 2HG2 ILE 18 2HG2 ILE 18 -8.145 -10.316 8.731 142 3HG2 ILE 18 3HG2 ILE 18 -8.575 -12.015 8.915 143 1HD1 ILE 18 1HD1 ILE 18 -12.640 -12.522 9.187 144 2HD1 ILE 18 2HD1 ILE 18 -11.477 -13.689 9.808 145 3HD1 ILE 18 3HD1 ILE 18 -11.098 -12.752 8.363 146 H GLN 19 H GLN 19 -10.371 -8.572 7.387 147 HA GLN 19 HA GLN 19 -7.787 -7.514 7.044 148 1HB GLN 19 2HB GLN 19 -10.403 -7.109 5.637 149 2HB GLN 19 1HB GLN 19 -9.024 -6.107 5.193 150 1HG GLN 19 2HG GLN 19 -9.159 -8.146 3.789 151 2HG GLN 19 1HG GLN 19 -7.681 -8.107 4.738 152 1HE2 GLN 19 1HE2 GLN 19 -7.690 -9.474 6.784 153 2HE2 GLN 19 2HE2 GLN 19 -8.656 -10.868 6.819 154 H VAL 20 H VAL 20 -10.792 -5.747 7.873 155 HA VAL 20 HA VAL 20 -9.741 -3.132 8.009 156 HB VAL 20 HB VAL 20 -11.832 -4.431 9.788 157 1HG1 VAL 20 1HG1 VAL 20 -11.370 -2.464 10.941 158 2HG1 VAL 20 2HG1 VAL 20 -12.596 -1.905 9.804 159 3HG1 VAL 20 3HG1 VAL 20 -10.889 -1.601 9.481 160 1HG2 VAL 20 1HG2 VAL 20 -13.364 -4.003 8.138 161 2HG2 VAL 20 2HG2 VAL 20 -11.943 -4.126 7.099 162 3HG2 VAL 20 3HG2 VAL 20 -12.533 -2.542 7.603 163 H ARG 21 H ARG 21 -9.791 -5.639 10.553 164 HA ARG 21 HA ARG 21 -8.432 -4.102 12.563 165 1HB ARG 21 2HB ARG 21 -8.020 -7.080 12.278 166 2HB ARG 21 1HB ARG 21 -8.134 -6.122 13.751 167 1HG ARG 21 2HG ARG 21 -10.592 -5.696 12.522 168 2HG ARG 21 1HG ARG 21 -10.253 -7.393 12.184 169 1HD ARG 21 2HD ARG 21 -9.689 -7.632 14.665 170 2HD ARG 21 1HD ARG 21 -10.415 -6.042 14.876 171 HE ARG 21 HE ARG 21 -12.536 -7.024 14.585 172 1HH1 ARG 21 1HH2 ARG 21 -10.036 -9.183 13.435 173 2HH1 ARG 21 2HH2 ARG 21 -11.143 -10.486 13.170 174 1HH2 ARG 21 1HH1 ARG 21 -13.933 -8.736 14.227 175 2HH2 ARG 21 2HH1 ARG 21 -13.324 -10.237 13.614 176 H ALA 22 H ALA 22 -7.339 -6.051 9.850 177 HA ALA 22 HA ALA 22 -4.549 -6.088 10.506 178 1HB ALA 22 1HB ALA 22 -4.672 -6.166 7.735 179 2HB ALA 22 2HB ALA 22 -6.251 -6.784 8.222 180 3HB ALA 22 3HB ALA 22 -4.781 -7.565 8.805 181 H LEU 23 H LEU 23 -6.567 -3.810 8.645 182 HA LEU 23 HA LEU 23 -4.313 -2.149 7.862 183 1HB LEU 23 2HB LEU 23 -7.112 -1.064 8.080 184 2HB LEU 23 1HB LEU 23 -5.866 -0.672 6.904 185 HG LEU 23 HG LEU 23 -7.546 -3.187 7.035 186 1HD1 LEU 23 1HD1 LEU 23 -8.173 -0.849 5.901 187 2HD1 LEU 23 2HD1 LEU 23 -8.618 -2.392 5.171 188 3HD1 LEU 23 3HD1 LEU 23 -7.197 -1.520 4.597 189 1HD2 LEU 23 1HD2 LEU 23 -6.238 -3.722 4.863 190 2HD2 LEU 23 2HD2 LEU 23 -5.419 -4.026 6.395 191 3HD2 LEU 23 3HD2 LEU 23 -5.039 -2.577 5.464 192 H LYS 24 H LYS 24 -6.778 -1.986 10.433 193 HA LYS 24 HA LYS 24 -5.898 0.483 11.577 194 1HB LYS 24 2HB LYS 24 -7.779 -1.608 12.227 195 2HB LYS 24 1HB LYS 24 -6.855 -1.203 13.672 196 1HG LYS 24 2HG LYS 24 -8.522 0.396 13.813 197 2HG LYS 24 1HG LYS 24 -7.334 1.284 12.858 198 1HD LYS 24 2HD LYS 24 -9.383 1.556 11.685 199 2HD LYS 24 1HD LYS 24 -8.508 0.312 10.790 200 1HE LYS 24 2HE LYS 24 -10.913 -0.271 11.202 201 2HE LYS 24 1HE LYS 24 -9.784 -1.445 11.878 202 1HZ LYS 24 1HZ LYS 24 -10.728 0.805 13.523 203 2HZ LYS 24 2HZ LYS 24 -10.167 -0.721 14.013 204 3HZ LYS 24 3HZ LYS 24 -11.712 -0.562 13.324 205 H ASP 25 H ASP 25 -4.956 -2.889 12.205 206 HA ASP 25 HA ASP 25 -3.148 -2.395 14.346 207 1HB ASP 25 2HB ASP 25 -4.034 -4.631 13.240 208 2HB ASP 25 1HB ASP 25 -2.573 -4.480 12.275 209 H ALA 26 H ALA 26 -2.867 -2.180 10.861 210 HA ALA 26 HA ALA 26 -0.004 -1.767 10.773 211 1HB ALA 26 1HB ALA 26 -1.396 -2.567 8.851 212 2HB ALA 26 2HB ALA 26 -0.422 -1.154 8.444 213 3HB ALA 26 3HB ALA 26 -2.145 -0.972 8.775 214 H GLY 27 H GLY 27 -2.839 0.289 11.122 215 1HA GLY 27 2HA GLY 27 -2.353 2.431 12.408 216 2HA GLY 27 1HA GLY 27 -1.042 2.683 11.251 217 H VAL 28 H VAL 28 -4.344 1.502 10.725 218 HA VAL 28 HA VAL 28 -4.768 3.783 8.841 219 HB VAL 28 HB VAL 28 -5.802 0.930 8.705 220 1HG1 VAL 28 1HG1 VAL 28 -6.098 3.070 6.593 221 2HG1 VAL 28 2HG1 VAL 28 -7.334 2.806 7.822 222 3HG1 VAL 28 3HG1 VAL 28 -6.923 1.516 6.696 223 1HG2 VAL 28 1HG2 VAL 28 -3.611 0.782 7.960 224 2HG2 VAL 28 2HG2 VAL 28 -3.589 2.444 7.373 225 3HG2 VAL 28 3HG2 VAL 28 -4.435 1.199 6.458 226 H LYS 29 H LYS 29 -6.651 4.947 9.096 227 HA LYS 29 HA LYS 29 -8.146 4.633 11.564 228 1HB LYS 29 2HB LYS 29 -7.766 6.653 9.584 229 2HB LYS 29 1HB LYS 29 -9.499 6.350 9.681 230 1HG LYS 29 2HG LYS 29 -9.660 7.171 11.805 231 2HG LYS 29 1HG LYS 29 -8.094 6.517 12.285 232 1HD LYS 29 2HD LYS 29 -6.928 8.361 11.509 233 2HD LYS 29 1HD LYS 29 -8.148 8.752 10.296 234 1HE LYS 29 2HE LYS 29 -9.439 9.938 11.778 235 2HE LYS 29 1HE LYS 29 -8.999 8.913 13.143 236 1HZ LYS 29 1HZ LYS 29 -7.097 10.785 11.856 237 2HZ LYS 29 2HZ LYS 29 -6.925 9.982 13.344 238 3HZ LYS 29 3HZ LYS 29 -8.070 11.227 13.174 239 H ALA 30 H ALA 30 -10.252 3.829 11.823 240 HA ALA 30 HA ALA 30 -11.147 1.796 10.018 241 1HB ALA 30 1HB ALA 30 -13.114 3.129 11.828 242 2HB ALA 30 2HB ALA 30 -11.731 2.326 12.572 243 3HB ALA 30 3HB ALA 30 -12.835 1.410 11.544 244 H ASN 31 H ASN 31 -11.873 5.224 10.296 245 HA ASN 31 HA ASN 31 -14.173 5.236 8.570 246 1HB ASN 31 2HB ASN 31 -12.785 7.102 10.129 247 2HB ASN 31 1HB ASN 31 -12.571 7.679 8.479 248 1HD2 ASN 31 1HD2 ASN 31 -15.262 6.230 10.412 249 2HD2 ASN 31 2HD2 ASN 31 -16.432 7.334 9.876 250 H ARG 32 H ARG 32 -10.727 5.106 8.007 251 HA ARG 32 HA ARG 32 -11.193 5.551 5.090 252 1HB ARG 32 2HB ARG 32 -8.443 5.449 6.312 253 2HB ARG 32 1HB ARG 32 -8.982 6.297 4.867 254 1HG ARG 32 2HG ARG 32 -10.483 7.602 6.667 255 2HG ARG 32 1HG ARG 32 -9.162 7.123 7.730 256 1HD ARG 32 2HD ARG 32 -7.810 8.697 6.852 257 2HD ARG 32 1HD ARG 32 -8.115 8.115 5.215 258 HE ARG 32 HE ARG 32 -9.647 9.876 4.945 259 1HH1 ARG 32 1HH2 ARG 32 -9.081 9.306 8.351 260 2HH1 ARG 32 2HH2 ARG 32 -10.017 10.677 8.837 261 1HH2 ARG 32 1HH1 ARG 32 -10.847 11.639 5.620 262 2HH2 ARG 32 2HH1 ARG 32 -11.003 11.987 7.310 263 H ILE 33 H ILE 33 -12.088 3.175 5.686 264 HA ILE 33 HA ILE 33 -9.853 1.246 5.197 265 HB ILE 33 HB ILE 33 -12.601 0.744 6.387 266 1HG1 ILE 33 2HG1 ILE 33 -11.046 2.004 7.867 267 2HG1 ILE 33 1HG1 ILE 33 -11.401 0.395 8.492 268 1HG2 ILE 33 1HG2 ILE 33 -10.501 -1.030 5.335 269 2HG2 ILE 33 2HG2 ILE 33 -12.196 -1.374 5.678 270 3HG2 ILE 33 3HG2 ILE 33 -11.006 -1.430 6.977 271 1HD1 ILE 33 1HD1 ILE 33 -8.999 0.861 8.680 272 2HD1 ILE 33 2HD1 ILE 33 -8.912 1.201 6.953 273 3HD1 ILE 33 3HD1 ILE 33 -9.272 -0.432 7.513 274 H PHE 34 H PHE 34 -9.930 1.642 2.899 275 HA PHE 34 HA PHE 34 -12.428 1.274 1.435 276 1HB PHE 34 2HB PHE 34 -9.548 1.697 0.652 277 2HB PHE 34 1HB PHE 34 -10.757 1.263 -0.558 278 HD1 PHE 34 1HD PHE 34 -12.127 2.921 -1.500 279 HD2 PHE 34 2HD PHE 34 -10.119 3.696 2.217 280 HE1 PHE 34 1HE PHE 34 -12.912 5.272 -1.566 281 HE2 PHE 34 2HE PHE 34 -10.903 6.047 2.150 282 HZ PHE 34 HZ PHE 34 -12.300 6.834 0.260 283 H THR 35 H THR 35 -12.717 -0.910 2.568 284 HA THR 35 HA THR 35 -11.066 -3.121 1.602 285 HB THR 35 HB THR 35 -12.129 -3.237 3.825 286 HG1 THR 35 1HG THR 35 -12.306 -5.292 3.527 287 1HG2 THR 35 1HG2 THR 35 -14.829 -3.750 2.754 288 2HG2 THR 35 2HG2 THR 35 -14.303 -2.074 2.624 289 3HG2 THR 35 3HG2 THR 35 -14.342 -2.865 4.199 290 H ASP 36 H ASP 36 -11.919 -4.867 0.245 291 HA ASP 36 HA ASP 36 -14.144 -3.983 -1.548 292 1HB ASP 36 2HB ASP 36 -11.524 -5.312 -2.288 293 2HB ASP 36 1HB ASP 36 -12.877 -5.128 -3.401 294 H LYS 37 H LYS 37 -15.789 -5.360 -1.024 295 HA LYS 37 HA LYS 37 -15.434 -7.996 0.035 296 1HB LYS 37 2HB LYS 37 -17.564 -6.303 -0.210 297 2HB LYS 37 1HB LYS 37 -17.932 -7.486 -1.465 298 1HG LYS 37 2HG LYS 37 -18.930 -8.354 0.513 299 2HG LYS 37 1HG LYS 37 -17.444 -9.280 0.303 300 1HD LYS 37 2HD LYS 37 -16.530 -7.169 1.784 301 2HD LYS 37 1HD LYS 37 -18.171 -7.331 2.409 302 1HE LYS 37 2HE LYS 37 -16.111 -9.550 2.231 303 2HE LYS 37 1HE LYS 37 -16.621 -8.728 3.706 304 1HZ LYS 37 1HZ LYS 37 -17.812 -10.780 3.490 305 2HZ LYS 37 2HZ LYS 37 -18.322 -10.380 1.920 306 3HZ LYS 37 3HZ LYS 37 -18.898 -9.499 3.255 307 H ALA 38 H ALA 38 -13.927 -8.995 -1.411 308 HA ALA 38 HA ALA 38 -14.492 -9.349 -4.229 309 1HB ALA 38 1HB ALA 38 -12.447 -10.478 -4.312 310 2HB ALA 38 2HB ALA 38 -12.623 -11.121 -2.679 311 3HB ALA 38 3HB ALA 38 -12.207 -9.424 -2.919 312 H SER 39 H SER 39 -16.798 -10.135 -3.320 313 HA SER 39 HA SER 39 -16.726 -13.113 -3.470 314 1HB SER 39 2HB SER 39 -18.393 -11.439 -1.569 315 2HB SER 39 1HB SER 39 -18.634 -13.163 -1.843 316 HG SER 39 HG SER 39 -17.057 -13.494 -0.509 317 H GLY 40 H GLY 40 -17.255 -12.717 -5.743 318 1HA GLY 40 2HA GLY 40 -20.155 -12.517 -6.159 319 2HA GLY 40 1HA GLY 40 -19.216 -11.233 -6.922 320 H SER 41 H SER 41 -19.279 -11.772 -9.072 321 HA SER 41 HA SER 41 -19.098 -14.532 -9.992 322 1HB SER 41 2HB SER 41 -18.685 -12.077 -11.701 323 2HB SER 41 1HB SER 41 -19.331 -13.644 -12.179 324 HG SER 41 HG SER 41 -21.222 -12.943 -11.622 325 H SER 42 H SER 42 -16.878 -11.804 -9.654 326 HA SER 42 HA SER 42 -14.619 -13.676 -10.109 327 1HB SER 42 2HB SER 42 -15.030 -11.057 -11.572 328 2HB SER 42 1HB SER 42 -13.485 -11.900 -11.508 329 HG SER 42 HG SER 42 -14.527 -13.699 -12.457 330 H SER 43 H SER 43 -15.031 -10.145 -9.670 331 HA SER 43 HA SER 43 -13.982 -10.269 -6.943 332 1HB SER 43 2HB SER 43 -12.071 -8.649 -7.621 333 2HB SER 43 1HB SER 43 -11.843 -10.368 -7.929 334 HG SER 43 HG SER 43 -11.472 -8.696 -9.692 335 H ASP 44 H ASP 44 -14.009 -8.109 -5.933 336 HA ASP 44 HA ASP 44 -15.748 -6.185 -7.427 337 1HB ASP 44 2HB ASP 44 -16.607 -7.565 -5.298 338 2HB ASP 44 1HB ASP 44 -15.799 -6.251 -4.443 339 H ARG 45 H ARG 45 -13.300 -5.587 -7.930 340 HA ARG 45 HA ARG 45 -11.809 -4.201 -5.877 341 1HB ARG 45 2HB ARG 45 -11.644 -4.386 -8.874 342 2HB ARG 45 1HB ARG 45 -10.672 -3.192 -8.013 343 1HG ARG 45 2HG ARG 45 -9.968 -5.175 -6.493 344 2HG ARG 45 1HG ARG 45 -10.589 -6.197 -7.789 345 1HD ARG 45 2HD ARG 45 -8.569 -3.991 -8.255 346 2HD ARG 45 1HD ARG 45 -8.111 -5.665 -7.939 347 HE ARG 45 HE ARG 45 -9.195 -4.632 -10.432 348 1HH1 ARG 45 1HH2 ARG 45 -8.952 -7.450 -8.374 349 2HH1 ARG 45 2HH2 ARG 45 -9.184 -8.551 -9.687 350 1HH2 ARG 45 1HH1 ARG 45 -9.491 -6.092 -12.099 351 2HH2 ARG 45 2HH1 ARG 45 -9.486 -7.794 -11.775 352 H LYS 46 H LYS 46 -13.975 -3.011 -5.240 353 HA LYS 46 HA LYS 46 -14.371 -0.566 -6.888 354 1HB LYS 46 2HB LYS 46 -15.916 -1.509 -4.459 355 2HB LYS 46 1HB LYS 46 -16.349 -0.168 -5.519 356 1HG LYS 46 2HG LYS 46 -15.963 -2.946 -6.611 357 2HG LYS 46 1HG LYS 46 -17.507 -2.448 -5.921 358 1HD LYS 46 2HD LYS 46 -16.334 -0.523 -7.834 359 2HD LYS 46 1HD LYS 46 -16.805 -2.068 -8.540 360 1HE LYS 46 2HE LYS 46 -19.058 -1.818 -7.887 361 2HE LYS 46 1HE LYS 46 -18.668 -0.572 -6.704 362 1HZ LYS 46 1HZ LYS 46 -19.666 0.079 -8.990 363 2HZ LYS 46 2HZ LYS 46 -18.070 -0.106 -9.542 364 3HZ LYS 46 3HZ LYS 46 -18.423 1.018 -8.317 365 H GLY 47 H GLY 47 -13.604 -1.563 -3.545 366 1HA GLY 47 2HA GLY 47 -13.251 1.003 -2.404 367 2HA GLY 47 1HA GLY 47 -12.381 -0.437 -1.876 368 H LEU 48 H LEU 48 -11.089 -0.933 -4.408 369 HA LEU 48 HA LEU 48 -8.819 0.882 -4.152 370 1HB LEU 48 2HB LEU 48 -8.483 -1.490 -4.701 371 2HB LEU 48 1HB LEU 48 -9.454 -1.315 -6.158 372 HG LEU 48 HG LEU 48 -7.096 0.494 -5.807 373 1HD1 LEU 48 1HD1 LEU 48 -6.637 -2.110 -5.341 374 2HD1 LEU 48 2HD1 LEU 48 -5.508 -1.116 -6.258 375 3HD1 LEU 48 3HD1 LEU 48 -6.651 -2.158 -7.103 376 1HD2 LEU 48 1HD2 LEU 48 -8.236 0.939 -7.794 377 2HD2 LEU 48 2HD2 LEU 48 -8.711 -0.743 -8.016 378 3HD2 LEU 48 3HD2 LEU 48 -7.053 -0.244 -8.352 379 H ASP 49 H ASP 49 -11.523 0.401 -6.359 380 HA ASP 49 HA ASP 49 -10.651 2.271 -8.378 381 1HB ASP 49 2HB ASP 49 -12.299 0.858 -9.215 382 2HB ASP 49 1HB ASP 49 -13.152 0.782 -7.687 383 H LEU 50 H LEU 50 -12.450 2.507 -5.363 384 HA LEU 50 HA LEU 50 -13.108 5.343 -5.806 385 1HB LEU 50 2HB LEU 50 -13.509 3.654 -3.317 386 2HB LEU 50 1HB LEU 50 -14.294 5.188 -3.693 387 HG LEU 50 HG LEU 50 -14.638 3.162 -5.806 388 1HD1 LEU 50 1HD1 LEU 50 -16.219 2.669 -3.301 389 2HD1 LEU 50 2HD1 LEU 50 -14.647 1.895 -3.510 390 3HD1 LEU 50 3HD1 LEU 50 -15.937 1.596 -4.672 391 1HD2 LEU 50 1HD2 LEU 50 -15.831 5.388 -5.543 392 2HD2 LEU 50 2HD2 LEU 50 -16.692 4.676 -4.179 393 3HD2 LEU 50 3HD2 LEU 50 -16.887 3.998 -5.794 394 H LEU 51 H LEU 51 -10.760 3.388 -4.066 395 HA LEU 51 HA LEU 51 -9.782 5.419 -2.287 396 1HB LEU 51 2HB LEU 51 -9.241 2.943 -2.162 397 2HB LEU 51 1HB LEU 51 -8.168 3.172 -3.543 398 HG LEU 51 HG LEU 51 -7.231 5.141 -2.006 399 1HD1 LEU 51 1HD1 LEU 51 -8.926 4.661 -0.223 400 2HD1 LEU 51 2HD1 LEU 51 -7.263 4.529 0.350 401 3HD1 LEU 51 3HD1 LEU 51 -8.190 3.072 -0.007 402 1HD2 LEU 51 1HD2 LEU 51 -5.393 3.773 -1.663 403 2HD2 LEU 51 2HD2 LEU 51 -6.238 2.833 -2.891 404 3HD2 LEU 51 3HD2 LEU 51 -6.380 2.391 -1.190 405 H ARG 52 H ARG 52 -8.990 4.526 -5.622 406 HA ARG 52 HA ARG 52 -6.742 6.231 -5.986 407 1HB ARG 52 2HB ARG 52 -8.837 5.221 -7.920 408 2HB ARG 52 1HB ARG 52 -7.425 6.147 -8.433 409 1HG ARG 52 2HG ARG 52 -5.948 4.442 -7.923 410 2HG ARG 52 1HG ARG 52 -6.981 3.784 -6.654 411 1HD ARG 52 2HD ARG 52 -6.881 2.322 -8.680 412 2HD ARG 52 1HD ARG 52 -8.516 2.874 -8.311 413 HE ARG 52 HE ARG 52 -7.593 4.777 -10.082 414 1HH1 ARG 52 1HH2 ARG 52 -7.761 1.283 -10.138 415 2HH1 ARG 52 2HH2 ARG 52 -7.918 1.219 -11.858 416 1HH2 ARG 52 1HH1 ARG 52 -7.800 4.646 -12.304 417 2HH2 ARG 52 2HH1 ARG 52 -7.940 3.101 -13.074 418 H MET 53 H MET 53 -10.144 6.957 -5.753 419 HA MET 53 HA MET 53 -9.587 9.744 -6.654 420 1HB MET 53 2HB MET 53 -11.895 9.955 -7.247 421 2HB MET 53 1HB MET 53 -11.365 8.398 -7.877 422 1HG MET 53 2HG MET 53 -12.369 7.248 -5.961 423 2HG MET 53 1HG MET 53 -12.850 8.794 -5.259 424 1HE MET 53 1HE MET 53 -14.157 6.791 -9.080 425 2HE MET 53 2HE MET 53 -14.392 5.880 -7.591 426 3HE MET 53 3HE MET 53 -12.788 6.479 -8.005 427 H LYS 54 H LYS 54 -9.937 7.961 -3.827 428 HA LYS 54 HA LYS 54 -11.173 10.256 -2.381 429 1HB LYS 54 2HB LYS 54 -11.421 7.390 -2.133 430 2HB LYS 54 1HB LYS 54 -10.831 8.061 -0.615 431 1HG LYS 54 2HG LYS 54 -13.056 9.527 -1.946 432 2HG LYS 54 1HG LYS 54 -13.450 7.967 -1.224 433 1HD LYS 54 2HD LYS 54 -12.921 8.670 0.927 434 2HD LYS 54 1HD LYS 54 -11.809 9.915 0.356 435 1HE LYS 54 2HE LYS 54 -13.811 11.001 1.199 436 2HE LYS 54 1HE LYS 54 -13.776 11.175 -0.555 437 1HZ LYS 54 1HZ LYS 54 -15.405 9.571 -0.830 438 2HZ LYS 54 2HZ LYS 54 -15.940 10.415 0.545 439 3HZ LYS 54 3HZ LYS 54 -15.174 8.908 0.713 440 H VAL 55 H VAL 55 -8.170 8.578 -2.835 441 HA VAL 55 HA VAL 55 -6.877 9.063 -0.361 442 HB VAL 55 HB VAL 55 -4.754 9.183 -1.789 443 1HG1 VAL 55 1HG1 VAL 55 -6.286 7.068 -0.943 444 2HG1 VAL 55 2HG1 VAL 55 -4.689 6.920 -1.675 445 3HG1 VAL 55 3HG1 VAL 55 -6.132 6.731 -2.666 446 1HG2 VAL 55 1HG2 VAL 55 -4.889 8.833 -4.119 447 2HG2 VAL 55 2HG2 VAL 55 -6.154 10.021 -3.807 448 3HG2 VAL 55 3HG2 VAL 55 -6.575 8.325 -4.034 449 H GLU 56 H GLU 56 -5.252 10.752 0.134 450 HA GLU 56 HA GLU 56 -6.137 13.410 -0.905 451 1HB GLU 56 2HB GLU 56 -6.035 12.542 1.694 452 2HB GLU 56 1HB GLU 56 -4.462 13.322 1.535 453 1HG GLU 56 2HG GLU 56 -6.023 15.011 2.260 454 2HG GLU 56 1HG GLU 56 -5.662 15.329 0.563 455 H GLU 57 H GLU 57 -4.301 15.086 -0.891 456 HA GLU 57 HA GLU 57 -2.109 14.044 -2.479 457 1HB GLU 57 2HB GLU 57 -3.123 16.342 -2.754 458 2HB GLU 57 1HB GLU 57 -2.346 16.798 -1.237 459 1HG GLU 57 2HG GLU 57 -0.678 17.446 -2.688 460 2HG GLU 57 1HG GLU 57 -0.208 15.759 -2.473 461 H GLY 58 H GLY 58 -0.666 12.776 -1.412 462 1HA GLY 58 2HA GLY 58 1.369 12.627 -0.140 463 2HA GLY 58 1HA GLY 58 0.858 14.029 0.796 464 H ASP 59 H ASP 59 -1.534 11.548 0.302 465 HA ASP 59 HA ASP 59 -1.579 11.048 3.184 466 1HB ASP 59 2HB ASP 59 -3.569 9.756 2.779 467 2HB ASP 59 1HB ASP 59 -3.658 11.185 1.755 468 H VAL 60 H VAL 60 -1.736 8.650 3.924 469 HA VAL 60 HA VAL 60 0.469 7.132 2.577 470 HB VAL 60 HB VAL 60 0.516 5.915 4.895 471 1HG1 VAL 60 1HG1 VAL 60 1.600 8.621 4.191 472 2HG1 VAL 60 2HG1 VAL 60 2.446 7.081 4.327 473 3HG1 VAL 60 3HG1 VAL 60 1.934 7.938 5.781 474 1HG2 VAL 60 1HG2 VAL 60 -1.592 7.183 5.641 475 2HG2 VAL 60 2HG2 VAL 60 -0.549 8.594 5.812 476 3HG2 VAL 60 3HG2 VAL 60 -0.247 7.152 6.781 477 H ILE 61 H ILE 61 -0.269 5.425 1.460 478 HA ILE 61 HA ILE 61 -2.915 4.273 2.136 479 HB ILE 61 HB ILE 61 -1.083 3.757 -0.223 480 1HG1 ILE 61 2HG1 ILE 61 -3.569 5.483 0.002 481 2HG1 ILE 61 1HG1 ILE 61 -1.919 6.101 -0.055 482 1HG2 ILE 61 1HG2 ILE 61 -2.672 1.915 0.249 483 2HG2 ILE 61 2HG2 ILE 61 -3.080 2.754 -1.248 484 3HG2 ILE 61 3HG2 ILE 61 -4.004 3.071 0.220 485 1HD1 ILE 61 1HD1 ILE 61 -1.609 5.035 -2.272 486 2HD1 ILE 61 2HD1 ILE 61 -2.938 6.193 -2.287 487 3HD1 ILE 61 3HD1 ILE 61 -3.276 4.464 -2.215 488 H LEU 62 H LEU 62 -2.544 2.925 3.890 489 HA LEU 62 HA LEU 62 -0.269 1.087 3.962 490 1HB LEU 62 2HB LEU 62 -2.390 1.972 5.770 491 2HB LEU 62 1HB LEU 62 -2.139 0.229 5.863 492 HG LEU 62 HG LEU 62 0.094 2.270 6.043 493 1HD1 LEU 62 1HD1 LEU 62 -1.170 2.622 8.008 494 2HD1 LEU 62 2HD1 LEU 62 0.060 1.458 8.499 495 3HD1 LEU 62 3HD1 LEU 62 -1.581 0.914 8.154 496 1HD2 LEU 62 1HD2 LEU 62 1.052 0.058 7.205 497 2HD2 LEU 62 2HD2 LEU 62 1.158 0.300 5.463 498 3HD2 LEU 62 3HD2 LEU 62 -0.121 -0.710 6.136 499 H VAL 63 H VAL 63 -0.272 -0.749 2.743 500 HA VAL 63 HA VAL 63 -2.902 -1.950 2.014 501 HB VAL 63 HB VAL 63 -1.442 -1.340 0.122 502 1HG1 VAL 63 1HG1 VAL 63 0.507 -3.276 1.405 503 2HG1 VAL 63 2HG1 VAL 63 0.732 -1.539 1.215 504 3HG1 VAL 63 3HG1 VAL 63 0.689 -2.582 -0.205 505 1HG2 VAL 63 1HG2 VAL 63 -1.510 -4.353 0.456 506 2HG2 VAL 63 2HG2 VAL 63 -1.551 -3.445 -1.056 507 3HG2 VAL 63 3HG2 VAL 63 -2.928 -3.386 0.046 508 H LYS 64 H LYS 64 -3.442 -3.949 2.740 509 HA LYS 64 HA LYS 64 -1.393 -5.790 3.788 510 1HB LYS 64 2HB LYS 64 -2.232 -4.123 5.639 511 2HB LYS 64 1HB LYS 64 -3.688 -5.118 5.615 512 1HG LYS 64 2HG LYS 64 -0.910 -6.280 5.927 513 2HG LYS 64 1HG LYS 64 -1.922 -5.829 7.301 514 1HD LYS 64 2HD LYS 64 -3.738 -7.305 6.213 515 2HD LYS 64 1HD LYS 64 -2.431 -7.957 5.222 516 1HE LYS 64 2HE LYS 64 -1.237 -8.174 7.601 517 2HE LYS 64 1HE LYS 64 -2.910 -8.246 8.155 518 1HZ LYS 64 1HZ LYS 64 -1.842 -9.934 5.964 519 2HZ LYS 64 2HZ LYS 64 -3.336 -10.091 6.757 520 3HZ LYS 64 3HZ LYS 64 -1.893 -10.434 7.584 521 H LYS 65 H LYS 65 -1.975 -7.716 2.914 522 HA LYS 65 HA LYS 65 -4.884 -8.383 2.788 523 1HB LYS 65 2HB LYS 65 -3.355 -7.794 0.570 524 2HB LYS 65 1HB LYS 65 -3.230 -9.550 0.646 525 1HG LYS 65 2HG LYS 65 -5.173 -9.071 -0.674 526 2HG LYS 65 1HG LYS 65 -5.762 -9.601 0.902 527 1HD LYS 65 2HD LYS 65 -7.021 -7.641 0.342 528 2HD LYS 65 1HD LYS 65 -5.850 -7.142 1.561 529 1HE LYS 65 2HE LYS 65 -4.421 -6.762 -0.751 530 2HE LYS 65 1HE LYS 65 -6.055 -6.365 -1.279 531 1HZ LYS 65 1HZ LYS 65 -4.514 -4.590 -0.146 532 2HZ LYS 65 2HZ LYS 65 -5.130 -5.278 1.280 533 3HZ LYS 65 3HZ LYS 65 -6.188 -4.605 0.132 534 H LEU 66 H LEU 66 -5.090 -10.861 2.302 535 HA LEU 66 HA LEU 66 -3.826 -12.287 4.445 536 1HB LEU 66 2HB LEU 66 -5.449 -13.136 2.042 537 2HB LEU 66 1HB LEU 66 -4.746 -14.332 3.128 538 HG LEU 66 HG LEU 66 -7.064 -13.814 3.779 539 1HD1 LEU 66 1HD1 LEU 66 -5.185 -14.260 5.483 540 2HD1 LEU 66 2HD1 LEU 66 -6.672 -13.540 6.096 541 3HD1 LEU 66 3HD1 LEU 66 -5.253 -12.531 5.822 542 1HD2 LEU 66 1HD2 LEU 66 -7.749 -11.612 4.449 543 2HD2 LEU 66 2HD2 LEU 66 -6.966 -11.439 2.879 544 3HD2 LEU 66 3HD2 LEU 66 -6.097 -11.001 4.350 545 H ASP 67 H ASP 67 -3.069 -11.910 1.028 546 HA ASP 67 HA ASP 67 -0.463 -13.261 1.530 547 1HB ASP 67 2HB ASP 67 -2.516 -13.968 -0.543 548 2HB ASP 67 1HB ASP 67 -0.805 -14.153 -0.931 549 H ARG 68 H ARG 68 -2.405 -11.328 -0.763 550 HA ARG 68 HA ARG 68 -0.470 -9.233 -0.950 551 1HB ARG 68 2HB ARG 68 0.306 -9.661 -3.294 552 2HB ARG 68 1HB ARG 68 0.906 -10.852 -2.139 553 1HG ARG 68 2HG ARG 68 -1.182 -12.239 -2.785 554 2HG ARG 68 1HG ARG 68 -1.294 -11.164 -4.179 555 1HD ARG 68 2HD ARG 68 1.309 -12.523 -3.506 556 2HD ARG 68 1HD ARG 68 0.067 -13.371 -4.428 557 HE ARG 68 HE ARG 68 0.437 -10.842 -5.646 558 1HH1 ARG 68 1HH2 ARG 68 2.242 -13.782 -5.066 559 2HH1 ARG 68 2HH2 ARG 68 3.210 -13.586 -6.485 560 1HH2 ARG 68 1HH1 ARG 68 1.713 -10.629 -7.472 561 2HH2 ARG 68 2HH1 ARG 68 2.915 -11.821 -7.834 562 H LEU 69 H LEU 69 -0.944 -8.089 -3.325 563 HA LEU 69 HA LEU 69 -3.924 -8.089 -3.622 564 1HB LEU 69 2HB LEU 69 -3.644 -5.616 -4.185 565 2HB LEU 69 1HB LEU 69 -3.385 -6.048 -2.496 566 HG LEU 69 HG LEU 69 -1.014 -6.088 -4.315 567 1HD1 LEU 69 1HD1 LEU 69 -0.689 -3.639 -3.885 568 2HD1 LEU 69 2HD1 LEU 69 -2.333 -3.574 -3.247 569 3HD1 LEU 69 3HD1 LEU 69 -2.060 -3.981 -4.941 570 1HD2 LEU 69 1HD2 LEU 69 -1.660 -5.797 -1.430 571 2HD2 LEU 69 2HD2 LEU 69 -0.298 -4.837 -2.006 572 3HD2 LEU 69 3HD2 LEU 69 -0.285 -6.589 -2.201 573 H GLY 70 H GLY 70 -2.265 -9.691 -5.214 574 1HA GLY 70 2HA GLY 70 -2.767 -8.479 -7.866 575 2HA GLY 70 1HA GLY 70 -1.106 -8.969 -7.524 576 H ARG 71 H ARG 71 -1.781 -10.367 -9.512 577 HA ARG 71 HA ARG 71 -2.215 -13.080 -8.545 578 1HB ARG 71 2HB ARG 71 -4.558 -12.074 -8.770 579 2HB ARG 71 1HB ARG 71 -4.258 -12.016 -10.506 580 1HG ARG 71 2HG ARG 71 -5.185 -14.115 -10.414 581 2HG ARG 71 1HG ARG 71 -3.522 -14.564 -10.037 582 1HD ARG 71 2HD ARG 71 -5.172 -13.706 -7.726 583 2HD ARG 71 1HD ARG 71 -5.635 -15.235 -8.471 584 HE ARG 71 HE ARG 71 -3.202 -14.739 -6.944 585 1HH1 ARG 71 1HH2 ARG 71 -4.680 -16.688 -9.445 586 2HH1 ARG 71 2HH2 ARG 71 -3.596 -18.011 -9.197 587 1HH2 ARG 71 1HH1 ARG 71 -1.820 -16.474 -6.658 588 2HH2 ARG 71 2HH1 ARG 71 -1.992 -17.893 -7.635 589 H ASP 72 H ASP 72 -2.731 -11.322 -11.626 590 HA ASP 72 HA ASP 72 -0.420 -12.825 -12.768 591 1HB ASP 72 2HB ASP 72 -2.850 -13.709 -13.335 592 2HB ASP 72 1HB ASP 72 -2.854 -12.345 -14.454 593 H THR 73 H THR 73 -2.850 -10.360 -13.709 594 HA THR 73 HA THR 73 -0.960 -8.902 -15.348 595 HB THR 73 HB THR 73 -3.474 -7.708 -14.187 596 HG1 THR 73 1HG THR 73 -3.260 -9.544 -16.337 597 1HG2 THR 73 1HG2 THR 73 -1.718 -7.313 -16.564 598 2HG2 THR 73 2HG2 THR 73 -2.536 -6.116 -15.560 599 3HG2 THR 73 3HG2 THR 73 -3.444 -7.021 -16.771 600 H ALA 74 H ALA 74 -0.525 -6.500 -14.852 601 HA ALA 74 HA ALA 74 0.820 -6.321 -12.287 602 1HB ALA 74 1HB ALA 74 0.913 -3.784 -13.174 603 2HB ALA 74 2HB ALA 74 0.499 -4.586 -14.689 604 3HB ALA 74 3HB ALA 74 1.964 -5.044 -13.820 605 H ASP 75 H ASP 75 -1.442 -6.825 -11.238 606 HA ASP 75 HA ASP 75 -3.287 -4.578 -11.006 607 1HB ASP 75 2HB ASP 75 -3.085 -6.961 -9.142 608 2HB ASP 75 1HB ASP 75 -4.493 -5.944 -9.443 609 H MET 76 H MET 76 -0.866 -6.095 -8.873 610 HA MET 76 HA MET 76 -1.173 -4.264 -6.699 611 1HB MET 76 2HB MET 76 0.014 -6.445 -6.534 612 2HB MET 76 1HB MET 76 1.307 -5.798 -7.541 613 1HG MET 76 2HG MET 76 0.673 -4.035 -5.286 614 2HG MET 76 1HG MET 76 1.158 -5.644 -4.756 615 1HE MET 76 1HE MET 76 3.162 -6.209 -4.227 616 2HE MET 76 2HE MET 76 4.715 -5.812 -4.956 617 3HE MET 76 3HE MET 76 3.573 -6.831 -5.831 618 H ILE 77 H ILE 77 0.829 -4.186 -9.620 619 HA ILE 77 HA ILE 77 2.196 -1.729 -8.804 620 HB ILE 77 HB ILE 77 2.109 -3.152 -11.486 621 1HG1 ILE 77 2HG1 ILE 77 4.584 -3.590 -10.486 622 2HG1 ILE 77 1HG1 ILE 77 3.672 -3.506 -8.977 623 1HG2 ILE 77 1HG2 ILE 77 4.063 -1.826 -12.050 624 2HG2 ILE 77 2HG2 ILE 77 4.094 -1.107 -10.439 625 3HG2 ILE 77 3HG2 ILE 77 2.781 -0.722 -11.553 626 1HD1 ILE 77 1HD1 ILE 77 2.461 -5.406 -9.442 627 2HD1 ILE 77 2HD1 ILE 77 3.914 -5.790 -10.367 628 3HD1 ILE 77 3HD1 ILE 77 2.497 -5.131 -11.184 629 H GLN 78 H GLN 78 -0.756 -2.524 -10.467 630 HA GLN 78 HA GLN 78 -1.063 -0.199 -12.083 631 1HB GLN 78 2HB GLN 78 -2.638 -2.438 -11.365 632 2HB GLN 78 1HB GLN 78 -3.590 -1.025 -10.915 633 1HG GLN 78 2HG GLN 78 -4.198 -1.311 -13.152 634 2HG GLN 78 1HG GLN 78 -2.884 -0.139 -13.288 635 1HE2 GLN 78 1HE2 GLN 78 -0.722 -0.998 -13.931 636 2HE2 GLN 78 2HE2 GLN 78 -0.617 -2.458 -14.790 637 H LEU 79 H LEU 79 -2.761 -0.744 -8.973 638 HA LEU 79 HA LEU 79 -3.336 2.016 -8.627 639 1HB LEU 79 2HB LEU 79 -4.131 1.505 -6.443 640 2HB LEU 79 1HB LEU 79 -4.521 0.130 -7.455 641 HG LEU 79 HG LEU 79 -3.750 -0.782 -5.412 642 1HD1 LEU 79 1HD1 LEU 79 -2.753 -1.899 -7.344 643 2HD1 LEU 79 2HD1 LEU 79 -1.662 -1.941 -5.962 644 3HD1 LEU 79 3HD1 LEU 79 -1.375 -0.810 -7.275 645 1HD2 LEU 79 1HD2 LEU 79 -1.128 0.632 -5.405 646 2HD2 LEU 79 2HD2 LEU 79 -2.104 0.057 -4.054 647 3HD2 LEU 79 3HD2 LEU 79 -2.554 1.537 -4.898 648 H ILE 80 H ILE 80 -0.330 0.415 -8.241 649 HA ILE 80 HA ILE 80 0.717 2.261 -6.234 650 HB ILE 80 HB ILE 80 1.957 0.136 -8.008 651 1HG1 ILE 80 2HG1 ILE 80 1.774 0.415 -4.996 652 2HG1 ILE 80 1HG1 ILE 80 0.621 -0.490 -5.972 653 1HG2 ILE 80 1HG2 ILE 80 3.290 2.274 -6.392 654 2HG2 ILE 80 2HG2 ILE 80 3.830 1.494 -7.877 655 3HG2 ILE 80 3HG2 ILE 80 3.976 0.651 -6.336 656 1HD1 ILE 80 1HD1 ILE 80 2.542 -1.863 -6.845 657 2HD1 ILE 80 2HD1 ILE 80 2.269 -2.049 -5.112 658 3HD1 ILE 80 3HD1 ILE 80 3.588 -1.035 -5.692 659 H LYS 81 H LYS 81 0.767 1.920 -9.772 660 HA LYS 81 HA LYS 81 2.532 4.199 -10.177 661 1HB LYS 81 2HB LYS 81 1.266 2.186 -11.806 662 2HB LYS 81 1HB LYS 81 0.906 3.770 -12.490 663 1HG LYS 81 2HG LYS 81 2.949 3.542 -13.472 664 2HG LYS 81 1HG LYS 81 3.555 4.066 -11.900 665 1HD LYS 81 2HD LYS 81 4.769 2.089 -12.321 666 2HD LYS 81 1HD LYS 81 3.460 1.551 -11.266 667 1HE LYS 81 2HE LYS 81 3.735 0.038 -13.210 668 2HE LYS 81 1HE LYS 81 2.158 0.826 -13.220 669 1HZ LYS 81 1HZ LYS 81 3.604 0.780 -15.358 670 2HZ LYS 81 2HZ LYS 81 4.406 2.090 -14.629 671 3HZ LYS 81 3HZ LYS 81 2.740 2.182 -14.953 672 H GLU 82 H GLU 82 -0.918 3.717 -9.812 673 HA GLU 82 HA GLU 82 -1.714 6.303 -10.835 674 1HB GLU 82 2HB GLU 82 -3.011 3.957 -10.021 675 2HB GLU 82 1HB GLU 82 -3.523 5.162 -8.841 676 1HG GLU 82 2HG GLU 82 -3.601 5.649 -11.830 677 2HG GLU 82 1HG GLU 82 -4.971 5.004 -10.924 678 H PHE 83 H PHE 83 -0.993 5.027 -7.587 679 HA PHE 83 HA PHE 83 -1.632 7.569 -6.290 680 1HB PHE 83 2HB PHE 83 -0.292 5.035 -5.309 681 2HB PHE 83 1HB PHE 83 -0.554 6.445 -4.282 682 HD1 PHE 83 1HD PHE 83 -3.160 7.442 -4.959 683 HD2 PHE 83 2HD PHE 83 -1.820 3.368 -4.757 684 HE1 PHE 83 1HE PHE 83 -5.486 6.696 -4.542 685 HE2 PHE 83 2HE PHE 83 -4.149 2.620 -4.346 686 HZ PHE 83 HZ PHE 83 -5.983 4.287 -4.237 687 H ASP 84 H ASP 84 1.231 6.010 -7.595 688 HA ASP 84 HA ASP 84 3.226 7.601 -6.311 689 1HB ASP 84 2HB ASP 84 3.447 5.504 -7.879 690 2HB ASP 84 1HB ASP 84 3.520 6.705 -9.167 691 H ALA 85 H ALA 85 1.297 8.124 -9.233 692 HA ALA 85 HA ALA 85 2.640 10.639 -9.882 693 1HB ALA 85 1HB ALA 85 1.735 9.379 -11.720 694 2HB ALA 85 2HB ALA 85 0.751 10.832 -11.559 695 3HB ALA 85 3HB ALA 85 0.150 9.290 -10.951 696 H GLN 86 H GLN 86 -0.089 9.667 -7.931 697 HA GLN 86 HA GLN 86 -1.300 12.321 -7.903 698 1HB GLN 86 2HB GLN 86 -1.959 9.650 -6.947 699 2HB GLN 86 1HB GLN 86 -2.292 10.868 -5.718 700 1HG GLN 86 2HG GLN 86 -3.176 11.286 -8.568 701 2HG GLN 86 1HG GLN 86 -4.156 10.335 -7.451 702 1HE2 GLN 86 1HE2 GLN 86 -4.604 11.512 -5.260 703 2HE2 GLN 86 2HE2 GLN 86 -4.899 13.181 -5.342 704 H GLY 87 H GLY 87 1.521 11.214 -6.539 705 1HA GLY 87 2HA GLY 87 2.893 12.196 -4.903 706 2HA GLY 87 1HA GLY 87 1.654 13.432 -4.680 707 H VAL 88 H VAL 88 1.035 9.983 -4.417 708 HA VAL 88 HA VAL 88 0.473 10.387 -1.508 709 HB VAL 88 HB VAL 88 -0.781 8.496 -3.526 710 1HG1 VAL 88 1HG1 VAL 88 -1.132 8.727 -0.521 711 2HG1 VAL 88 2HG1 VAL 88 -0.691 7.291 -1.444 712 3HG1 VAL 88 3HG1 VAL 88 -2.323 7.951 -1.567 713 1HG2 VAL 88 1HG2 VAL 88 -2.839 9.839 -2.615 714 2HG2 VAL 88 2HG2 VAL 88 -1.787 10.591 -3.813 715 3HG2 VAL 88 3HG2 VAL 88 -1.623 11.013 -2.111 716 H SER 89 H SER 89 1.021 8.630 -0.084 717 HA SER 89 HA SER 89 3.320 7.024 -1.086 718 1HB SER 89 2HB SER 89 2.557 8.148 1.581 719 2HB SER 89 1HB SER 89 3.527 6.678 1.539 720 HG SER 89 HG SER 89 5.127 7.749 0.540 721 H ILE 90 H ILE 90 3.482 4.778 -0.199 722 HA ILE 90 HA ILE 90 0.853 3.591 0.536 723 HB ILE 90 HB ILE 90 2.650 2.460 -1.629 724 1HG1 ILE 90 2HG1 ILE 90 0.021 3.973 -1.832 725 2HG1 ILE 90 1HG1 ILE 90 1.591 4.552 -2.381 726 1HG2 ILE 90 1HG2 ILE 90 -0.107 1.711 -0.605 727 2HG2 ILE 90 2HG2 ILE 90 1.370 0.767 -0.420 728 3HG2 ILE 90 3HG2 ILE 90 0.663 0.994 -2.020 729 1HD1 ILE 90 1HD1 ILE 90 0.936 3.681 -4.383 730 2HD1 ILE 90 2HD1 ILE 90 -0.254 2.612 -3.638 731 3HD1 ILE 90 3HD1 ILE 90 1.447 2.150 -3.671 732 H ARG 91 H ARG 91 1.487 2.988 2.583 733 HA ARG 91 HA ARG 91 4.098 1.764 3.083 734 1HB ARG 91 2HB ARG 91 1.654 2.198 4.821 735 2HB ARG 91 1HB ARG 91 3.145 1.461 5.407 736 1HG ARG 91 2HG ARG 91 3.977 3.793 4.080 737 2HG ARG 91 1HG ARG 91 2.531 4.274 4.963 738 1HD ARG 91 2HD ARG 91 3.518 3.988 7.000 739 2HD ARG 91 1HD ARG 91 4.424 2.570 6.473 740 HE ARG 91 HE ARG 91 5.387 5.050 5.277 741 1HH1 ARG 91 1HH2 ARG 91 5.580 2.931 8.053 742 2HH1 ARG 91 2HH2 ARG 91 7.162 3.478 8.485 743 1HH2 ARG 91 1HH1 ARG 91 7.434 5.730 5.877 744 2HH2 ARG 91 2HH1 ARG 91 8.201 5.045 7.269 745 H PHE 92 H PHE 92 4.491 -0.353 2.698 746 HA PHE 92 HA PHE 92 2.214 -2.214 2.355 747 1HB PHE 92 2HB PHE 92 5.079 -2.166 1.557 748 2HB PHE 92 1HB PHE 92 4.371 -3.750 1.861 749 HD1 PHE 92 1HD PHE 92 3.262 -0.537 0.253 750 HD2 PHE 92 2HD PHE 92 3.548 -4.813 -0.028 751 HE1 PHE 92 1HE PHE 92 2.145 -0.468 -1.962 752 HE2 PHE 92 2HE PHE 92 2.431 -4.743 -2.242 753 HZ PHE 92 HZ PHE 92 1.731 -2.569 -3.209 754 H ILE 93 H ILE 93 1.830 -3.949 3.708 755 HA ILE 93 HA ILE 93 2.749 -3.812 6.419 756 HB ILE 93 HB ILE 93 0.582 -4.802 5.803 757 1HG1 ILE 93 2HG1 ILE 93 0.798 -6.954 7.114 758 2HG1 ILE 93 1HG1 ILE 93 2.544 -6.704 7.115 759 1HG2 ILE 93 1HG2 ILE 93 1.881 -7.304 4.827 760 2HG2 ILE 93 2HG2 ILE 93 1.810 -5.939 3.713 761 3HG2 ILE 93 3HG2 ILE 93 0.323 -6.601 4.392 762 1HD1 ILE 93 1HD1 ILE 93 2.404 -4.795 8.461 763 2HD1 ILE 93 2HD1 ILE 93 1.136 -5.819 9.137 764 3HD1 ILE 93 3HD1 ILE 93 0.717 -4.503 8.040 765 H ASP 94 H ASP 94 5.095 -3.765 6.009 766 HA ASP 94 HA ASP 94 6.385 -6.243 6.563 767 1HB ASP 94 2HB ASP 94 5.726 -6.321 3.979 768 2HB ASP 94 1HB ASP 94 7.180 -5.334 3.821 769 H ASP 95 H ASP 95 6.706 -3.056 5.022 770 HA ASP 95 HA ASP 95 8.644 -2.173 6.976 771 1HB ASP 95 2HB ASP 95 9.624 -3.378 4.454 772 2HB ASP 95 1HB ASP 95 10.345 -1.824 4.872 773 H GLY 96 H GLY 96 6.154 -1.286 5.553 774 1HA GLY 96 2HA GLY 96 5.261 0.673 4.625 775 2HA GLY 96 1HA GLY 96 6.615 1.478 5.416 776 H ILE 97 H ILE 97 7.153 -0.951 2.937 777 HA ILE 97 HA ILE 97 7.583 1.115 0.874 778 HB ILE 97 HB ILE 97 9.896 0.289 0.434 779 1HG1 ILE 97 2HG1 ILE 97 9.555 -1.100 3.109 780 2HG1 ILE 97 1HG1 ILE 97 9.570 -1.928 1.554 781 1HG2 ILE 97 1HG2 ILE 97 9.678 1.213 3.299 782 2HG2 ILE 97 2HG2 ILE 97 9.269 2.282 1.958 783 3HG2 ILE 97 3HG2 ILE 97 10.903 1.635 2.104 784 1HD1 ILE 97 1HD1 ILE 97 11.838 -1.096 1.111 785 2HD1 ILE 97 2HD1 ILE 97 11.801 -1.984 2.633 786 3HD1 ILE 97 3HD1 ILE 97 11.828 -0.222 2.642 787 H SER 98 H SER 98 7.907 0.166 -1.267 788 HA SER 98 HA SER 98 7.593 -2.723 -1.621 789 1HB SER 98 2HB SER 98 5.462 -2.071 -3.109 790 2HB SER 98 1HB SER 98 5.318 -2.547 -1.421 791 HG SER 98 HG SER 98 4.552 -0.298 -2.495 792 H THR 99 H THR 99 6.657 0.160 -3.519 793 HA THR 99 HA THR 99 8.412 -0.801 -5.712 794 HB THR 99 HB THR 99 6.054 -0.135 -6.240 795 HG1 THR 99 1HG THR 99 6.820 0.456 -8.086 796 1HG2 THR 99 1HG2 THR 99 5.554 2.324 -6.253 797 2HG2 THR 99 2HG2 THR 99 7.039 2.590 -5.345 798 3HG2 THR 99 3HG2 THR 99 5.728 1.653 -4.632 799 H ASP 100 H ASP 100 9.554 0.283 -3.278 800 HA ASP 100 HA ASP 100 10.301 2.960 -3.269 801 1HB ASP 100 2HB ASP 100 10.891 1.292 -1.534 802 2HB ASP 100 1HB ASP 100 12.060 0.572 -2.640 803 H GLY 101 H GLY 101 11.317 0.450 -5.485 804 1HA GLY 101 2HA GLY 101 12.268 2.249 -7.437 805 2HA GLY 101 1HA GLY 101 13.670 1.691 -6.521 806 H GLU 102 H GLU 102 10.799 0.432 -8.224 807 HA GLU 102 HA GLU 102 11.923 -2.234 -8.506 808 1HB GLU 102 2HB GLU 102 9.982 -2.580 -10.054 809 2HB GLU 102 1HB GLU 102 9.504 -1.948 -8.478 810 1HG GLU 102 2HG GLU 102 9.036 0.172 -9.317 811 2HG GLU 102 1HG GLU 102 10.124 -0.020 -10.692 812 H MET 103 H MET 103 12.230 -3.197 -10.746 813 HA MET 103 HA MET 103 12.954 -1.379 -12.914 814 1HB MET 103 2HB MET 103 15.013 -2.564 -11.110 815 2HB MET 103 1HB MET 103 15.358 -2.576 -12.840 816 1HG MET 103 2HG MET 103 14.632 -0.079 -12.774 817 2HG MET 103 1HG MET 103 14.881 -0.212 -11.033 818 1HE MET 103 1HE MET 103 16.674 -1.774 -14.200 819 2HE MET 103 2HE MET 103 17.961 -0.589 -14.400 820 3HE MET 103 3HE MET 103 16.279 -0.078 -14.513 821 H GLY 104 H GLY 104 12.084 -2.504 -14.584 822 1HA GLY 104 2HA GLY 104 13.069 -5.025 -15.454 823 2HA GLY 104 1HA GLY 104 11.557 -5.303 -14.586 824 H LYS 105 H LYS 105 9.609 -4.326 -15.422 825 HA LYS 105 HA LYS 105 9.675 -4.020 -18.356 826 1HB LYS 105 2HB LYS 105 7.927 -5.347 -16.896 827 2HB LYS 105 1HB LYS 105 7.179 -3.760 -16.707 828 1HG LYS 105 2HG LYS 105 6.917 -3.508 -19.082 829 2HG LYS 105 1HG LYS 105 7.919 -4.924 -19.402 830 1HD LYS 105 2HD LYS 105 5.826 -5.885 -19.605 831 2HD LYS 105 1HD LYS 105 6.089 -6.118 -17.875 832 1HE LYS 105 2HE LYS 105 4.717 -4.274 -17.304 833 2HE LYS 105 1HE LYS 105 4.762 -3.624 -18.943 834 1HZ LYS 105 1HZ LYS 105 3.331 -6.026 -17.970 835 2HZ LYS 105 2HZ LYS 105 3.612 -5.746 -19.621 836 3HZ LYS 105 3HZ LYS 105 2.681 -4.650 -18.717 Start of MODEL 16 1 1H MET 1 1HT MET 1 -1.889 15.409 6.305 2 HA MET 1 HA MET 1 -2.297 13.424 5.087 3 1HB MET 1 2HB MET 1 -0.102 13.716 6.349 4 2HB MET 1 1HB MET 1 -0.768 12.639 7.578 5 1HG MET 1 2HG MET 1 -1.244 11.017 5.622 6 2HG MET 1 1HG MET 1 -0.131 12.022 4.696 7 1HE MET 1 1HE MET 1 -0.458 8.948 6.587 8 2HE MET 1 2HE MET 1 -0.682 10.029 7.959 9 3HE MET 1 3HE MET 1 0.718 8.963 7.908 10 H ARG 2 H ARG 2 -3.554 11.615 4.872 11 HA ARG 2 HA ARG 2 -5.045 10.706 7.302 12 1HB ARG 2 2HB ARG 2 -5.927 10.036 4.506 13 2HB ARG 2 1HB ARG 2 -6.898 10.202 5.965 14 1HG ARG 2 2HG ARG 2 -5.539 12.493 4.510 15 2HG ARG 2 1HG ARG 2 -7.253 12.096 4.397 16 1HD ARG 2 2HD ARG 2 -7.128 12.243 7.039 17 2HD ARG 2 1HD ARG 2 -5.723 13.252 6.699 18 HE ARG 2 HE ARG 2 -7.960 14.081 5.089 19 1HH1 ARG 2 1HH2 ARG 2 -6.693 14.193 8.346 20 2HH1 ARG 2 2HH2 ARG 2 -7.542 15.649 8.734 21 1HH2 ARG 2 1HH1 ARG 2 -9.035 15.966 5.631 22 2HH2 ARG 2 2HH1 ARG 2 -8.853 16.643 7.214 23 H LEU 3 H LEU 3 -5.159 8.467 7.737 24 HA LEU 3 HA LEU 3 -3.053 6.862 6.384 25 1HB LEU 3 2HB LEU 3 -4.655 6.022 8.805 26 2HB LEU 3 1HB LEU 3 -3.082 5.430 8.285 27 HG LEU 3 HG LEU 3 -2.846 8.259 8.627 28 1HD1 LEU 3 1HD1 LEU 3 -4.697 8.413 10.079 29 2HD1 LEU 3 2HD1 LEU 3 -3.327 8.219 11.174 30 3HD1 LEU 3 3HD1 LEU 3 -4.368 6.842 10.810 31 1HD2 LEU 3 1HD2 LEU 3 -1.535 7.160 10.762 32 2HD2 LEU 3 2HD2 LEU 3 -0.882 7.217 9.126 33 3HD2 LEU 3 3HD2 LEU 3 -1.686 5.761 9.701 34 H PHE 4 H PHE 4 -4.424 6.604 4.435 35 HA PHE 4 HA PHE 4 -6.937 5.131 4.660 36 1HB PHE 4 2HB PHE 4 -5.225 6.116 2.394 37 2HB PHE 4 1HB PHE 4 -6.489 4.927 2.078 38 HD1 PHE 4 1HD PHE 4 -8.839 5.487 2.304 39 HD2 PHE 4 2HD PHE 4 -5.788 8.361 3.243 40 HE1 PHE 4 1HE PHE 4 -10.547 7.285 2.353 41 HE2 PHE 4 2HE PHE 4 -7.496 10.159 3.292 42 HZ PHE 4 HZ PHE 4 -9.875 9.620 2.847 43 H GLY 5 H GLY 5 -7.239 2.925 4.320 44 1HA GLY 5 2HA GLY 5 -4.807 1.303 3.716 45 2HA GLY 5 1HA GLY 5 -5.832 0.886 5.088 46 H TYR 6 H TYR 6 -5.165 -0.314 2.281 47 HA TYR 6 HA TYR 6 -7.887 -0.633 1.164 48 1HB TYR 6 2HB TYR 6 -5.944 -0.326 -0.355 49 2HB TYR 6 1HB TYR 6 -5.211 -1.788 0.298 50 HD1 TYR 6 1HD TYR 6 -8.696 -0.904 -0.799 51 HD2 TYR 6 2HD TYR 6 -5.320 -3.520 -1.238 52 HE1 TYR 6 1HE TYR 6 -9.964 -2.276 -2.431 53 HE2 TYR 6 2HE TYR 6 -6.588 -4.890 -2.870 54 HH TYR 6 HH TYR 6 -9.009 -4.003 -4.521 55 H ALA 7 H ALA 7 -9.035 -2.621 1.284 56 HA ALA 7 HA ALA 7 -7.709 -4.848 2.752 57 1HB ALA 7 1HB ALA 7 -10.019 -3.219 3.670 58 2HB ALA 7 2HB ALA 7 -8.792 -4.065 4.612 59 3HB ALA 7 3HB ALA 7 -10.141 -4.961 3.915 60 H ARG 8 H ARG 8 -7.809 -5.765 0.488 61 HA ARG 8 HA ARG 8 -10.480 -6.456 -0.537 62 1HB ARG 8 2HB ARG 8 -8.544 -6.067 -2.088 63 2HB ARG 8 1HB ARG 8 -7.770 -7.499 -1.419 64 1HG ARG 8 2HG ARG 8 -8.885 -8.713 -2.961 65 2HG ARG 8 1HG ARG 8 -10.359 -8.359 -2.063 66 1HD ARG 8 2HD ARG 8 -10.817 -7.645 -4.278 67 2HD ARG 8 1HD ARG 8 -10.444 -6.164 -3.401 68 HE ARG 8 HE ARG 8 -8.516 -5.923 -4.733 69 1HH1 ARG 8 1HH2 ARG 8 -9.712 -9.205 -4.924 70 2HH1 ARG 8 2HH2 ARG 8 -8.586 -9.650 -6.158 71 1HH2 ARG 8 1HH1 ARG 8 -7.077 -6.544 -6.331 72 2HH2 ARG 8 2HH1 ARG 8 -7.110 -8.162 -6.947 73 H VAL 9 H VAL 9 -11.349 -7.642 1.205 74 HA VAL 9 HA VAL 9 -10.064 -9.722 2.613 75 HB VAL 9 HB VAL 9 -12.311 -10.453 3.260 76 1HG1 VAL 9 1HG1 VAL 9 -11.534 -7.578 3.190 77 2HG1 VAL 9 2HG1 VAL 9 -11.817 -8.635 4.573 78 3HG1 VAL 9 3HG1 VAL 9 -13.183 -7.948 3.696 79 1HG2 VAL 9 1HG2 VAL 9 -13.002 -9.129 0.719 80 2HG2 VAL 9 2HG2 VAL 9 -14.073 -8.689 2.047 81 3HG2 VAL 9 3HG2 VAL 9 -13.870 -10.383 1.602 82 H SER 10 H SER 10 -10.802 -12.038 2.548 83 HA SER 10 HA SER 10 -11.555 -13.184 -0.027 84 1HB SER 10 2HB SER 10 -8.885 -12.645 0.203 85 2HB SER 10 1HB SER 10 -8.952 -14.260 0.902 86 HG SER 10 HG SER 10 -8.804 -13.804 -1.569 87 H THR 11 H THR 11 -12.466 -13.146 2.744 88 HA THR 11 HA THR 11 -11.965 -15.941 3.635 89 HB THR 11 HB THR 11 -13.558 -14.055 5.303 90 HG1 THR 11 1HG THR 11 -10.752 -13.816 4.967 91 1HG2 THR 11 1HG2 THR 11 -12.522 -16.489 5.736 92 2HG2 THR 11 2HG2 THR 11 -12.718 -15.303 7.026 93 3HG2 THR 11 3HG2 THR 11 -11.148 -15.511 6.249 94 H SER 12 H SER 12 -14.418 -16.160 5.148 95 HA SER 12 HA SER 12 -16.422 -16.252 2.929 96 1HB SER 12 2HB SER 12 -17.294 -18.330 3.991 97 2HB SER 12 1HB SER 12 -15.632 -18.504 3.443 98 HG SER 12 HG SER 12 -15.592 -19.249 5.483 99 H GLN 13 H GLN 13 -16.722 -17.004 6.389 100 HA GLN 13 HA GLN 13 -19.204 -15.575 6.629 101 1HB GLN 13 2HB GLN 13 -17.656 -17.374 8.180 102 2HB GLN 13 1HB GLN 13 -17.886 -15.940 9.177 103 1HG GLN 13 2HG GLN 13 -20.354 -16.057 8.606 104 2HG GLN 13 1HG GLN 13 -20.034 -17.629 7.871 105 1HE2 GLN 13 1HE2 GLN 13 -18.747 -19.186 9.443 106 2HE2 GLN 13 2HE2 GLN 13 -19.255 -19.179 11.062 107 H GLN 14 H GLN 14 -16.321 -14.899 8.618 108 HA GLN 14 HA GLN 14 -16.949 -11.990 8.371 109 1HB GLN 14 2HB GLN 14 -16.872 -13.005 10.670 110 2HB GLN 14 1HB GLN 14 -15.176 -13.399 10.392 111 1HG GLN 14 2HG GLN 14 -14.811 -11.351 11.329 112 2HG GLN 14 1HG GLN 14 -15.185 -10.763 9.709 113 1HE2 GLN 14 1HE2 GLN 14 -16.752 -11.494 12.864 114 2HE2 GLN 14 2HE2 GLN 14 -18.000 -10.359 12.679 115 H SER 15 H SER 15 -15.743 -11.078 6.778 116 HA SER 15 HA SER 15 -12.874 -11.900 6.579 117 1HB SER 15 2HB SER 15 -13.004 -11.931 4.259 118 2HB SER 15 1HB SER 15 -14.615 -12.490 4.678 119 HG SER 15 HG SER 15 -15.319 -10.815 3.644 120 H LEU 16 H LEU 16 -15.162 -9.253 5.915 121 HA LEU 16 HA LEU 16 -13.248 -7.190 5.534 122 1HB LEU 16 2HB LEU 16 -15.448 -6.702 4.861 123 2HB LEU 16 1HB LEU 16 -16.142 -7.273 6.370 124 HG LEU 16 HG LEU 16 -14.296 -4.946 6.568 125 1HD1 LEU 16 1HD1 LEU 16 -17.099 -4.267 5.861 126 2HD1 LEU 16 2HD1 LEU 16 -16.088 -4.821 4.530 127 3HD1 LEU 16 3HD1 LEU 16 -15.604 -3.416 5.475 128 1HD2 LEU 16 1HD2 LEU 16 -15.275 -5.544 8.605 129 2HD2 LEU 16 2HD2 LEU 16 -16.809 -5.981 7.852 130 3HD2 LEU 16 3HD2 LEU 16 -16.373 -4.283 8.045 131 H ASP 17 H ASP 17 -14.708 -8.472 8.502 132 HA ASP 17 HA ASP 17 -13.724 -6.463 10.282 133 1HB ASP 17 2HB ASP 17 -15.358 -8.592 10.580 134 2HB ASP 17 1HB ASP 17 -13.880 -9.260 11.272 135 H ILE 18 H ILE 18 -12.396 -9.686 9.501 136 HA ILE 18 HA ILE 18 -10.014 -9.452 11.023 137 HB ILE 18 HB ILE 18 -10.516 -10.996 8.457 138 1HG1 ILE 18 2HG1 ILE 18 -10.497 -12.235 11.174 139 2HG1 ILE 18 1HG1 ILE 18 -11.905 -11.266 10.734 140 1HG2 ILE 18 1HG2 ILE 18 -8.441 -11.869 8.633 141 2HG2 ILE 18 2HG2 ILE 18 -8.636 -12.162 10.361 142 3HG2 ILE 18 3HG2 ILE 18 -8.083 -10.589 9.792 143 1HD1 ILE 18 1HD1 ILE 18 -12.557 -13.333 9.912 144 2HD1 ILE 18 2HD1 ILE 18 -10.906 -13.816 9.523 145 3HD1 ILE 18 3HD1 ILE 18 -11.756 -12.666 8.490 146 H GLN 19 H GLN 19 -10.796 -8.261 7.781 147 HA GLN 19 HA GLN 19 -8.041 -7.581 7.130 148 1HB GLN 19 2HB GLN 19 -10.717 -6.997 5.913 149 2HB GLN 19 1HB GLN 19 -9.316 -6.063 5.397 150 1HG GLN 19 2HG GLN 19 -9.379 -9.092 5.448 151 2HG GLN 19 1HG GLN 19 -9.737 -8.132 4.013 152 1HE2 GLN 19 1HE2 GLN 19 -7.154 -9.196 6.163 153 2HE2 GLN 19 2HE2 GLN 19 -5.876 -8.569 5.236 154 H VAL 20 H VAL 20 -10.900 -5.580 8.003 155 HA VAL 20 HA VAL 20 -9.626 -3.079 8.162 156 HB VAL 20 HB VAL 20 -11.799 -4.149 9.991 157 1HG1 VAL 20 1HG1 VAL 20 -10.537 -1.491 9.634 158 2HG1 VAL 20 2HG1 VAL 20 -11.362 -2.169 11.038 159 3HG1 VAL 20 3HG1 VAL 20 -12.300 -1.497 9.704 160 1HG2 VAL 20 1HG2 VAL 20 -12.497 -2.341 7.767 161 2HG2 VAL 20 2HG2 VAL 20 -13.292 -3.818 8.309 162 3HG2 VAL 20 3HG2 VAL 20 -11.887 -3.913 7.250 163 H ARG 21 H ARG 21 -9.955 -5.510 10.764 164 HA ARG 21 HA ARG 21 -8.530 -4.107 12.786 165 1HB ARG 21 2HB ARG 21 -8.430 -7.106 12.344 166 2HB ARG 21 1HB ARG 21 -8.245 -6.244 13.869 167 1HG ARG 21 2HG ARG 21 -10.761 -5.533 12.588 168 2HG ARG 21 1HG ARG 21 -10.633 -7.280 12.794 169 1HD ARG 21 2HD ARG 21 -11.560 -6.595 14.834 170 2HD ARG 21 1HD ARG 21 -9.840 -6.701 15.207 171 HE ARG 21 HE ARG 21 -10.400 -4.056 14.312 172 1HH1 ARG 21 1HH2 ARG 21 -11.061 -6.178 17.013 173 2HH1 ARG 21 2HH2 ARG 21 -11.213 -4.870 18.132 174 1HH2 ARG 21 1HH1 ARG 21 -10.604 -2.394 15.797 175 2HH2 ARG 21 2HH1 ARG 21 -10.959 -2.749 17.453 176 H ALA 22 H ALA 22 -7.431 -5.988 10.029 177 HA ALA 22 HA ALA 22 -4.651 -6.127 10.805 178 1HB ALA 22 1HB ALA 22 -5.974 -7.460 8.964 179 2HB ALA 22 2HB ALA 22 -4.281 -7.051 8.684 180 3HB ALA 22 3HB ALA 22 -5.556 -6.090 7.936 181 H LEU 23 H LEU 23 -6.647 -3.799 9.057 182 HA LEU 23 HA LEU 23 -4.383 -2.169 8.204 183 1HB LEU 23 2HB LEU 23 -7.158 -1.040 8.469 184 2HB LEU 23 1HB LEU 23 -5.939 -0.704 7.247 185 HG LEU 23 HG LEU 23 -7.664 -3.185 7.484 186 1HD1 LEU 23 1HD1 LEU 23 -7.923 -2.283 4.947 187 2HD1 LEU 23 2HD1 LEU 23 -7.603 -0.761 5.781 188 3HD1 LEU 23 3HD1 LEU 23 -8.968 -1.765 6.270 189 1HD2 LEU 23 1HD2 LEU 23 -5.231 -2.631 5.772 190 2HD2 LEU 23 2HD2 LEU 23 -6.455 -3.807 5.296 191 3HD2 LEU 23 3HD2 LEU 23 -5.547 -4.038 6.789 192 H LYS 24 H LYS 24 -6.834 -1.973 10.786 193 HA LYS 24 HA LYS 24 -5.895 0.468 11.943 194 1HB LYS 24 2HB LYS 24 -7.778 -1.647 12.628 195 2HB LYS 24 1HB LYS 24 -6.892 -1.115 14.056 196 1HG LYS 24 2HG LYS 24 -8.609 0.435 14.056 197 2HG LYS 24 1HG LYS 24 -7.429 1.293 13.063 198 1HD LYS 24 2HD LYS 24 -9.186 1.445 11.606 199 2HD LYS 24 1HD LYS 24 -8.662 -0.176 11.149 200 1HE LYS 24 2HE LYS 24 -10.809 0.500 13.180 201 2HE LYS 24 1HE LYS 24 -11.074 -0.175 11.573 202 1HZ LYS 24 1HZ LYS 24 -11.118 -1.917 13.211 203 2HZ LYS 24 2HZ LYS 24 -9.594 -1.459 13.805 204 3HZ LYS 24 3HZ LYS 24 -9.740 -2.104 12.240 205 H ASP 25 H ASP 25 -5.034 -2.927 12.535 206 HA ASP 25 HA ASP 25 -3.209 -2.472 14.681 207 1HB ASP 25 2HB ASP 25 -4.178 -4.694 13.627 208 2HB ASP 25 1HB ASP 25 -2.729 -4.609 12.636 209 H ALA 26 H ALA 26 -2.940 -2.342 11.192 210 HA ALA 26 HA ALA 26 -0.066 -2.005 11.092 211 1HB ALA 26 1HB ALA 26 -1.934 -2.655 9.260 212 2HB ALA 26 2HB ALA 26 -0.382 -1.947 8.811 213 3HB ALA 26 3HB ALA 26 -1.816 -0.926 8.932 214 H GLY 27 H GLY 27 -2.869 0.128 11.300 215 1HA GLY 27 2HA GLY 27 -2.392 2.305 12.516 216 2HA GLY 27 1HA GLY 27 -1.012 2.475 11.425 217 H VAL 28 H VAL 28 -4.319 1.374 10.770 218 HA VAL 28 HA VAL 28 -4.530 3.536 8.719 219 HB VAL 28 HB VAL 28 -5.796 0.776 8.798 220 1HG1 VAL 28 1HG1 VAL 28 -5.843 2.690 6.471 221 2HG1 VAL 28 2HG1 VAL 28 -7.109 2.731 7.696 222 3HG1 VAL 28 3HG1 VAL 28 -6.851 1.270 6.748 223 1HG2 VAL 28 1HG2 VAL 28 -4.362 0.489 6.730 224 2HG2 VAL 28 2HG2 VAL 28 -3.467 0.610 8.245 225 3HG2 VAL 28 3HG2 VAL 28 -3.564 1.999 7.165 226 H LYS 29 H LYS 29 -6.295 4.876 8.824 227 HA LYS 29 HA LYS 29 -7.815 5.070 11.242 228 1HB LYS 29 2HB LYS 29 -8.340 6.246 8.493 229 2HB LYS 29 1HB LYS 29 -9.170 6.732 9.970 230 1HG LYS 29 2HG LYS 29 -6.168 6.776 9.822 231 2HG LYS 29 1HG LYS 29 -7.116 8.125 9.196 232 1HD LYS 29 2HD LYS 29 -7.525 7.026 11.974 233 2HD LYS 29 1HD LYS 29 -6.356 8.300 11.636 234 1HE LYS 29 2HE LYS 29 -7.992 9.855 11.116 235 2HE LYS 29 1HE LYS 29 -9.144 8.626 10.595 236 1HZ LYS 29 1HZ LYS 29 -9.973 9.335 12.623 237 2HZ LYS 29 2HZ LYS 29 -8.436 9.448 13.339 238 3HZ LYS 29 3HZ LYS 29 -9.127 7.925 13.038 239 H ALA 30 H ALA 30 -9.692 4.038 11.823 240 HA ALA 30 HA ALA 30 -10.790 1.916 10.234 241 1HB ALA 30 1HB ALA 30 -10.998 2.501 12.830 242 2HB ALA 30 2HB ALA 30 -12.228 1.546 12.003 243 3HB ALA 30 3HB ALA 30 -12.490 3.266 12.285 244 H ASN 31 H ASN 31 -11.509 5.342 10.504 245 HA ASN 31 HA ASN 31 -14.035 5.223 9.088 246 1HB ASN 31 2HB ASN 31 -12.564 7.160 10.504 247 2HB ASN 31 1HB ASN 31 -12.625 7.762 8.852 248 1HD2 ASN 31 1HD2 ASN 31 -14.849 6.252 11.261 249 2HD2 ASN 31 2HD2 ASN 31 -16.181 7.217 10.854 250 H ARG 32 H ARG 32 -10.672 5.247 8.173 251 HA ARG 32 HA ARG 32 -11.446 5.698 5.322 252 1HB ARG 32 2HB ARG 32 -8.587 5.738 6.264 253 2HB ARG 32 1HB ARG 32 -9.313 6.567 4.892 254 1HG ARG 32 2HG ARG 32 -10.411 8.160 6.352 255 2HG ARG 32 1HG ARG 32 -9.908 7.261 7.784 256 1HD ARG 32 2HD ARG 32 -7.559 7.729 7.293 257 2HD ARG 32 1HD ARG 32 -8.015 8.561 5.807 258 HE ARG 32 HE ARG 32 -8.180 9.656 8.500 259 1HH1 ARG 32 1HH2 ARG 32 -9.520 9.772 5.271 260 2HH1 ARG 32 2HH2 ARG 32 -10.093 11.392 5.461 261 1HH2 ARG 32 1HH1 ARG 32 -8.942 11.748 8.703 262 2HH2 ARG 32 2HH1 ARG 32 -9.770 12.501 7.381 263 H ILE 33 H ILE 33 -12.156 3.294 6.008 264 HA ILE 33 HA ILE 33 -9.892 1.454 5.359 265 HB ILE 33 HB ILE 33 -12.548 0.894 6.722 266 1HG1 ILE 33 2HG1 ILE 33 -10.910 2.160 8.092 267 2HG1 ILE 33 1HG1 ILE 33 -11.194 0.541 8.726 268 1HG2 ILE 33 1HG2 ILE 33 -10.849 -1.259 7.170 269 2HG2 ILE 33 2HG2 ILE 33 -10.558 -0.861 5.478 270 3HG2 ILE 33 3HG2 ILE 33 -12.191 -1.228 6.027 271 1HD1 ILE 33 1HD1 ILE 33 -9.133 -0.236 7.540 272 2HD1 ILE 33 2HD1 ILE 33 -8.801 0.995 8.756 273 3HD1 ILE 33 3HD1 ILE 33 -8.828 1.429 7.049 274 H PHE 34 H PHE 34 -10.015 1.620 3.085 275 HA PHE 34 HA PHE 34 -12.611 1.197 1.750 276 1HB PHE 34 2HB PHE 34 -9.879 2.034 0.928 277 2HB PHE 34 1HB PHE 34 -10.814 1.147 -0.276 278 HD1 PHE 34 1HD PHE 34 -10.500 4.260 1.609 279 HD2 PHE 34 2HD PHE 34 -13.031 2.000 -1.024 280 HE1 PHE 34 1HE PHE 34 -11.830 6.299 1.139 281 HE2 PHE 34 2HE PHE 34 -14.360 4.039 -1.496 282 HZ PHE 34 HZ PHE 34 -13.762 6.187 -0.413 283 H THR 35 H THR 35 -12.836 -0.966 2.770 284 HA THR 35 HA THR 35 -11.042 -3.099 1.844 285 HB THR 35 HB THR 35 -11.997 -3.278 4.079 286 HG1 THR 35 1HG THR 35 -12.284 -5.334 3.810 287 1HG2 THR 35 1HG2 THR 35 -14.086 -2.563 4.500 288 2HG2 THR 35 2HG2 THR 35 -14.735 -3.845 3.480 289 3HG2 THR 35 3HG2 THR 35 -14.338 -2.278 2.779 290 H ASP 36 H ASP 36 -11.848 -4.931 0.589 291 HA ASP 36 HA ASP 36 -14.053 -4.157 -1.282 292 1HB ASP 36 2HB ASP 36 -11.336 -5.154 -1.738 293 2HB ASP 36 1HB ASP 36 -12.551 -6.130 -2.561 294 H LYS 37 H LYS 37 -15.837 -5.350 -0.815 295 HA LYS 37 HA LYS 37 -15.714 -7.830 0.679 296 1HB LYS 37 2HB LYS 37 -18.040 -6.738 -0.934 297 2HB LYS 37 1HB LYS 37 -18.124 -7.910 0.378 298 1HG LYS 37 2HG LYS 37 -17.089 -5.080 0.698 299 2HG LYS 37 1HG LYS 37 -18.733 -5.581 1.085 300 1HD LYS 37 2HD LYS 37 -16.244 -6.807 2.312 301 2HD LYS 37 1HD LYS 37 -17.217 -5.554 3.076 302 1HE LYS 37 2HE LYS 37 -18.409 -7.256 3.970 303 2HE LYS 37 1HE LYS 37 -19.116 -7.435 2.366 304 1HZ LYS 37 1HZ LYS 37 -16.540 -8.720 2.945 305 2HZ LYS 37 2HZ LYS 37 -17.760 -9.188 1.860 306 3HZ LYS 37 3HZ LYS 37 -17.961 -9.437 3.528 307 H ALA 38 H ALA 38 -14.092 -8.747 -0.955 308 HA ALA 38 HA ALA 38 -14.953 -9.555 -3.573 309 1HB ALA 38 1HB ALA 38 -12.620 -9.575 -3.241 310 2HB ALA 38 2HB ALA 38 -13.043 -11.286 -3.234 311 3HB ALA 38 3HB ALA 38 -12.754 -10.442 -1.712 312 H SER 39 H SER 39 -15.293 -10.973 -0.376 313 HA SER 39 HA SER 39 -16.452 -13.449 -1.547 314 1HB SER 39 2HB SER 39 -15.778 -12.716 1.318 315 2HB SER 39 1HB SER 39 -16.440 -14.266 0.807 316 HG SER 39 HG SER 39 -13.928 -13.109 0.243 317 H GLY 40 H GLY 40 -17.892 -10.957 -1.817 318 1HA GLY 40 2HA GLY 40 -20.057 -11.064 0.189 319 2HA GLY 40 1HA GLY 40 -19.923 -9.898 -1.129 320 H SER 41 H SER 41 -19.632 -11.608 -3.311 321 HA SER 41 HA SER 41 -21.738 -13.635 -3.287 322 1HB SER 41 2HB SER 41 -22.905 -12.321 -5.245 323 2HB SER 41 1HB SER 41 -23.297 -11.922 -3.575 324 HG SER 41 HG SER 41 -22.115 -10.414 -5.486 325 H SER 42 H SER 42 -19.795 -11.484 -5.380 326 HA SER 42 HA SER 42 -18.887 -13.904 -6.863 327 1HB SER 42 2HB SER 42 -19.802 -11.330 -8.180 328 2HB SER 42 1HB SER 42 -19.162 -12.748 -9.006 329 HG SER 42 HG SER 42 -21.564 -12.458 -8.780 330 H SER 43 H SER 43 -18.441 -10.350 -6.733 331 HA SER 43 HA SER 43 -15.677 -10.578 -5.913 332 1HB SER 43 2HB SER 43 -14.957 -9.374 -8.169 333 2HB SER 43 1HB SER 43 -14.996 -11.132 -8.059 334 HG SER 43 HG SER 43 -16.922 -9.373 -9.165 335 H ASP 44 H ASP 44 -14.634 -8.359 -5.902 336 HA ASP 44 HA ASP 44 -16.369 -6.046 -6.306 337 1HB ASP 44 2HB ASP 44 -15.815 -7.151 -3.564 338 2HB ASP 44 1HB ASP 44 -16.001 -5.412 -3.790 339 H ARG 45 H ARG 45 -14.855 -4.811 -7.310 340 HA ARG 45 HA ARG 45 -12.213 -4.476 -5.946 341 1HB ARG 45 2HB ARG 45 -12.830 -4.516 -8.918 342 2HB ARG 45 1HB ARG 45 -11.272 -4.045 -8.237 343 1HG ARG 45 2HG ARG 45 -11.247 -6.303 -7.054 344 2HG ARG 45 1HG ARG 45 -12.623 -6.746 -8.066 345 1HD ARG 45 2HD ARG 45 -10.746 -7.535 -9.270 346 2HD ARG 45 1HD ARG 45 -11.151 -6.008 -10.058 347 HE ARG 45 HE ARG 45 -9.323 -5.253 -8.141 348 1HH1 ARG 45 1HH2 ARG 45 -9.328 -7.681 -10.659 349 2HH1 ARG 45 2HH2 ARG 45 -7.614 -7.610 -10.869 350 1HH2 ARG 45 1HH1 ARG 45 -7.108 -5.192 -8.449 351 2HH2 ARG 45 2HH1 ARG 45 -6.368 -6.216 -9.634 352 H LYS 46 H LYS 46 -14.478 -2.892 -5.372 353 HA LYS 46 HA LYS 46 -14.209 -0.388 -6.912 354 1HB LYS 46 2HB LYS 46 -15.873 -0.833 -4.423 355 2HB LYS 46 1HB LYS 46 -16.090 0.404 -5.662 356 1HG LYS 46 2HG LYS 46 -16.368 -1.636 -7.281 357 2HG LYS 46 1HG LYS 46 -16.702 -2.537 -5.803 358 1HD LYS 46 2HD LYS 46 -18.140 0.004 -6.611 359 2HD LYS 46 1HD LYS 46 -18.769 -1.623 -6.876 360 1HE LYS 46 2HE LYS 46 -18.232 -1.855 -4.272 361 2HE LYS 46 1HE LYS 46 -18.449 -0.105 -4.322 362 1HZ LYS 46 1HZ LYS 46 -20.616 -0.343 -5.168 363 2HZ LYS 46 2HZ LYS 46 -20.504 -1.462 -3.894 364 3HZ LYS 46 3HZ LYS 46 -20.401 -1.991 -5.506 365 H GLY 47 H GLY 47 -12.986 -1.793 -3.983 366 1HA GLY 47 2HA GLY 47 -12.483 0.456 -2.376 367 2HA GLY 47 1HA GLY 47 -11.461 -0.978 -2.407 368 H LEU 48 H LEU 48 -9.793 -1.043 -4.173 369 HA LEU 48 HA LEU 48 -8.162 1.262 -4.194 370 1HB LEU 48 2HB LEU 48 -7.390 0.141 -6.589 371 2HB LEU 48 1HB LEU 48 -6.773 -0.333 -5.016 372 HG LEU 48 HG LEU 48 -8.394 -2.159 -4.892 373 1HD1 LEU 48 1HD1 LEU 48 -10.347 -1.578 -5.988 374 2HD1 LEU 48 2HD1 LEU 48 -9.587 -2.519 -7.268 375 3HD1 LEU 48 3HD1 LEU 48 -9.489 -0.760 -7.292 376 1HD2 LEU 48 1HD2 LEU 48 -6.601 -1.860 -7.263 377 2HD2 LEU 48 2HD2 LEU 48 -7.674 -3.260 -7.214 378 3HD2 LEU 48 3HD2 LEU 48 -6.504 -3.000 -5.921 379 H ASP 49 H ASP 49 -10.840 0.440 -6.292 380 HA ASP 49 HA ASP 49 -10.325 2.330 -8.386 381 1HB ASP 49 2HB ASP 49 -12.725 0.859 -7.372 382 2HB ASP 49 1HB ASP 49 -12.994 2.236 -8.442 383 H LEU 50 H LEU 50 -12.477 2.575 -5.536 384 HA LEU 50 HA LEU 50 -12.919 5.419 -5.899 385 1HB LEU 50 2HB LEU 50 -13.306 3.742 -3.399 386 2HB LEU 50 1HB LEU 50 -14.047 5.307 -3.742 387 HG LEU 50 HG LEU 50 -14.438 2.933 -5.569 388 1HD1 LEU 50 1HD1 LEU 50 -16.432 2.342 -4.388 389 2HD1 LEU 50 2HD1 LEU 50 -16.331 3.775 -3.364 390 3HD1 LEU 50 3HD1 LEU 50 -15.164 2.466 -3.167 391 1HD2 LEU 50 1HD2 LEU 50 -15.715 5.630 -5.145 392 2HD2 LEU 50 2HD2 LEU 50 -16.620 4.327 -5.913 393 3HD2 LEU 50 3HD2 LEU 50 -15.125 4.909 -6.644 394 H LEU 51 H LEU 51 -10.601 3.439 -4.166 395 HA LEU 51 HA LEU 51 -9.524 5.396 -2.394 396 1HB LEU 51 2HB LEU 51 -9.059 2.813 -2.633 397 2HB LEU 51 1HB LEU 51 -7.787 3.338 -3.736 398 HG LEU 51 HG LEU 51 -7.018 4.915 -1.876 399 1HD1 LEU 51 1HD1 LEU 51 -8.707 5.062 -0.302 400 2HD1 LEU 51 2HD1 LEU 51 -7.750 3.769 0.419 401 3HD1 LEU 51 3HD1 LEU 51 -9.194 3.380 -0.517 402 1HD2 LEU 51 1HD2 LEU 51 -6.852 2.071 -0.939 403 2HD2 LEU 51 2HD2 LEU 51 -5.578 3.284 -1.050 404 3HD2 LEU 51 3HD2 LEU 51 -6.170 2.490 -2.510 405 H ARG 52 H ARG 52 -8.979 4.722 -5.810 406 HA ARG 52 HA ARG 52 -6.672 6.407 -6.147 407 1HB ARG 52 2HB ARG 52 -8.738 5.237 -7.990 408 2HB ARG 52 1HB ARG 52 -7.610 6.448 -8.602 409 1HG ARG 52 2HG ARG 52 -5.792 5.053 -8.409 410 2HG ARG 52 1HG ARG 52 -6.443 4.231 -6.991 411 1HD ARG 52 2HD ARG 52 -6.395 2.748 -8.985 412 2HD ARG 52 1HD ARG 52 -8.036 3.010 -8.396 413 HE ARG 52 HE ARG 52 -7.449 4.976 -10.383 414 1HH1 ARG 52 1HH2 ARG 52 -8.027 1.542 -10.057 415 2HH1 ARG 52 2HH2 ARG 52 -8.666 1.396 -11.658 416 1HH2 ARG 52 1HH1 ARG 52 -8.280 4.740 -12.447 417 2HH2 ARG 52 2HH1 ARG 52 -8.808 3.184 -12.997 418 H MET 53 H MET 53 -10.124 7.018 -6.021 419 HA MET 53 HA MET 53 -9.627 9.884 -6.703 420 1HB MET 53 2HB MET 53 -12.181 9.961 -6.869 421 2HB MET 53 1HB MET 53 -11.355 9.023 -8.111 422 1HG MET 53 2HG MET 53 -11.891 6.949 -7.025 423 2HG MET 53 1HG MET 53 -12.454 7.784 -5.576 424 1HE MET 53 1HE MET 53 -14.169 9.217 -5.337 425 2HE MET 53 2HE MET 53 -15.242 7.822 -5.277 426 3HE MET 53 3HE MET 53 -15.704 9.239 -6.214 427 H LYS 54 H LYS 54 -9.354 8.268 -4.016 428 HA LYS 54 HA LYS 54 -11.001 10.171 -2.399 429 1HB LYS 54 2HB LYS 54 -10.543 7.246 -2.150 430 2HB LYS 54 1HB LYS 54 -10.526 8.166 -0.643 431 1HG LYS 54 2HG LYS 54 -12.717 8.847 -2.521 432 2HG LYS 54 1HG LYS 54 -12.803 7.235 -1.809 433 1HD LYS 54 2HD LYS 54 -13.144 8.041 0.311 434 2HD LYS 54 1HD LYS 54 -12.142 9.468 0.043 435 1HE LYS 54 2HE LYS 54 -14.701 9.243 -1.487 436 2HE LYS 54 1HE LYS 54 -14.789 9.670 0.223 437 1HZ LYS 54 1HZ LYS 54 -14.615 11.648 -1.112 438 2HZ LYS 54 2HZ LYS 54 -13.204 11.071 -1.861 439 3HZ LYS 54 3HZ LYS 54 -13.194 11.457 -0.206 440 H VAL 55 H VAL 55 -7.890 8.508 -2.731 441 HA VAL 55 HA VAL 55 -6.626 9.399 -0.361 442 HB VAL 55 HB VAL 55 -4.498 9.169 -1.669 443 1HG1 VAL 55 1HG1 VAL 55 -5.933 6.760 -2.528 444 2HG1 VAL 55 2HG1 VAL 55 -6.308 7.218 -0.867 445 3HG1 VAL 55 3HG1 VAL 55 -4.636 6.935 -1.346 446 1HG2 VAL 55 1HG2 VAL 55 -6.288 8.361 -3.969 447 2HG2 VAL 55 2HG2 VAL 55 -4.545 8.631 -3.988 448 3HG2 VAL 55 3HG2 VAL 55 -5.646 9.997 -3.818 449 H GLU 56 H GLU 56 -5.449 11.279 0.142 450 HA GLU 56 HA GLU 56 -6.073 13.629 -1.576 451 1HB GLU 56 2HB GLU 56 -6.420 13.327 1.094 452 2HB GLU 56 1HB GLU 56 -4.792 14.005 1.077 453 1HG GLU 56 2HG GLU 56 -5.485 16.005 0.109 454 2HG GLU 56 1HG GLU 56 -6.915 15.273 -0.620 455 H GLU 57 H GLU 57 -4.289 15.318 -1.670 456 HA GLU 57 HA GLU 57 -1.907 14.168 -2.777 457 1HB GLU 57 2HB GLU 57 -3.019 16.549 -3.092 458 2HB GLU 57 1HB GLU 57 -1.947 16.991 -1.764 459 1HG GLU 57 2HG GLU 57 -0.032 16.020 -3.062 460 2HG GLU 57 1HG GLU 57 -1.134 15.770 -4.417 461 H GLY 58 H GLY 58 -0.415 13.129 -1.560 462 1HA GLY 58 2HA GLY 58 1.411 13.128 -0.002 463 2HA GLY 58 1HA GLY 58 0.667 14.493 0.833 464 H ASP 59 H ASP 59 -1.323 11.753 -0.014 465 HA ASP 59 HA ASP 59 -1.673 11.183 2.875 466 1HB ASP 59 2HB ASP 59 -3.275 10.726 0.396 467 2HB ASP 59 1HB ASP 59 -3.492 9.591 1.727 468 H VAL 60 H VAL 60 -2.005 8.733 3.367 469 HA VAL 60 HA VAL 60 0.082 7.191 1.883 470 HB VAL 60 HB VAL 60 0.906 6.237 3.878 471 1HG1 VAL 60 1HG1 VAL 60 1.329 8.125 5.412 472 2HG1 VAL 60 2HG1 VAL 60 0.042 9.046 4.631 473 3HG1 VAL 60 3HG1 VAL 60 1.498 8.624 3.729 474 1HG2 VAL 60 1HG2 VAL 60 -0.578 7.017 6.071 475 2HG2 VAL 60 2HG2 VAL 60 -0.704 5.445 5.281 476 3HG2 VAL 60 3HG2 VAL 60 -1.829 6.734 4.861 477 H ILE 61 H ILE 61 -0.309 4.970 1.526 478 HA ILE 61 HA ILE 61 -3.120 4.079 2.028 479 HB ILE 61 HB ILE 61 -1.408 3.631 -0.438 480 1HG1 ILE 61 2HG1 ILE 61 -4.093 4.988 -0.315 481 2HG1 ILE 61 1HG1 ILE 61 -2.619 5.892 0.032 482 1HG2 ILE 61 1HG2 ILE 61 -4.063 2.503 0.436 483 2HG2 ILE 61 2HG2 ILE 61 -2.675 1.652 -0.244 484 3HG2 ILE 61 3HG2 ILE 61 -3.676 2.675 -1.275 485 1HD1 ILE 61 1HD1 ILE 61 -3.280 4.400 -2.517 486 2HD1 ILE 61 2HD1 ILE 61 -1.698 5.094 -2.170 487 3HD1 ILE 61 3HD1 ILE 61 -3.106 6.141 -2.324 488 H LEU 62 H LEU 62 -2.585 2.800 3.811 489 HA LEU 62 HA LEU 62 -0.311 0.973 3.772 490 1HB LEU 62 2HB LEU 62 -1.752 2.129 5.770 491 2HB LEU 62 1HB LEU 62 -2.499 0.532 5.729 492 HG LEU 62 HG LEU 62 0.483 0.679 5.636 493 1HD1 LEU 62 1HD1 LEU 62 0.511 0.708 8.145 494 2HD1 LEU 62 2HD1 LEU 62 -1.203 1.125 8.117 495 3HD1 LEU 62 3HD1 LEU 62 -0.012 2.235 7.436 496 1HD2 LEU 62 1HD2 LEU 62 -0.666 -1.473 5.454 497 2HD2 LEU 62 2HD2 LEU 62 -1.549 -1.152 6.946 498 3HD2 LEU 62 3HD2 LEU 62 0.198 -1.390 6.989 499 H VAL 63 H VAL 63 -0.364 -1.241 3.397 500 HA VAL 63 HA VAL 63 -2.992 -2.485 2.747 501 HB VAL 63 HB VAL 63 -0.491 -2.780 1.054 502 1HG1 VAL 63 1HG1 VAL 63 -1.828 -4.776 0.952 503 2HG1 VAL 63 2HG1 VAL 63 -2.177 -3.857 -0.512 504 3HG1 VAL 63 3HG1 VAL 63 -3.319 -3.842 0.833 505 1HG2 VAL 63 1HG2 VAL 63 -1.692 -1.456 -0.619 506 2HG2 VAL 63 2HG2 VAL 63 -1.553 -0.527 0.874 507 3HG2 VAL 63 3HG2 VAL 63 -3.080 -1.309 0.459 508 H LYS 64 H LYS 64 -3.117 -4.040 4.305 509 HA LYS 64 HA LYS 64 -0.837 -5.251 5.567 510 1HB LYS 64 2HB LYS 64 -3.729 -5.387 5.780 511 2HB LYS 64 1HB LYS 64 -3.035 -7.004 5.878 512 1HG LYS 64 2HG LYS 64 -1.673 -4.863 7.439 513 2HG LYS 64 1HG LYS 64 -3.247 -5.400 8.026 514 1HD LYS 64 2HD LYS 64 -2.410 -7.770 7.890 515 2HD LYS 64 1HD LYS 64 -0.811 -7.128 7.512 516 1HE LYS 64 2HE LYS 64 -0.630 -6.053 9.632 517 2HE LYS 64 1HE LYS 64 -2.346 -6.283 9.977 518 1HZ LYS 64 1HZ LYS 64 -0.193 -8.306 9.930 519 2HZ LYS 64 2HZ LYS 64 -1.827 -8.750 9.791 520 3HZ LYS 64 3HZ LYS 64 -1.278 -7.944 11.182 521 H LYS 65 H LYS 65 -1.245 -7.960 5.591 522 HA LYS 65 HA LYS 65 -0.755 -8.728 2.742 523 1HB LYS 65 2HB LYS 65 1.178 -8.865 4.444 524 2HB LYS 65 1HB LYS 65 0.296 -10.221 5.147 525 1HG LYS 65 2HG LYS 65 0.731 -11.600 3.375 526 2HG LYS 65 1HG LYS 65 0.622 -10.291 2.198 527 1HD LYS 65 2HD LYS 65 2.838 -9.438 3.158 528 2HD LYS 65 1HD LYS 65 2.961 -10.996 3.978 529 1HE LYS 65 2HE LYS 65 3.157 -12.185 1.975 530 2HE LYS 65 1HE LYS 65 2.392 -10.908 1.028 531 1HZ LYS 65 1HZ LYS 65 4.386 -9.517 1.604 532 2HZ LYS 65 2HZ LYS 65 4.678 -10.815 0.546 533 3HZ LYS 65 3HZ LYS 65 5.120 -10.933 2.182 534 H LEU 66 H LEU 66 -2.334 -9.979 1.936 535 HA LEU 66 HA LEU 66 -3.317 -12.361 3.146 536 1HB LEU 66 2HB LEU 66 -4.453 -10.752 4.693 537 2HB LEU 66 1HB LEU 66 -5.251 -10.021 3.302 538 HG LEU 66 HG LEU 66 -5.895 -12.613 2.873 539 1HD1 LEU 66 1HD1 LEU 66 -6.551 -13.563 5.105 540 2HD1 LEU 66 2HD1 LEU 66 -5.630 -12.270 5.874 541 3HD1 LEU 66 3HD1 LEU 66 -4.807 -13.462 4.868 542 1HD2 LEU 66 1HD2 LEU 66 -7.341 -10.493 3.181 543 2HD2 LEU 66 2HD2 LEU 66 -7.454 -10.972 4.874 544 3HD2 LEU 66 3HD2 LEU 66 -8.073 -12.038 3.612 545 H ASP 67 H ASP 67 -4.053 -9.618 1.040 546 HA ASP 67 HA ASP 67 -5.094 -11.538 -1.002 547 1HB ASP 67 2HB ASP 67 -6.272 -9.533 -1.955 548 2HB ASP 67 1HB ASP 67 -6.824 -9.966 -0.337 549 H ARG 68 H ARG 68 -3.503 -11.902 -2.470 550 HA ARG 68 HA ARG 68 -1.175 -10.368 -2.884 551 1HB ARG 68 2HB ARG 68 -2.659 -12.407 -4.485 552 2HB ARG 68 1HB ARG 68 -1.405 -11.477 -5.304 553 1HG ARG 68 2HG ARG 68 -0.665 -12.521 -2.630 554 2HG ARG 68 1HG ARG 68 -0.909 -13.743 -3.877 555 1HD ARG 68 2HD ARG 68 1.162 -13.284 -4.634 556 2HD ARG 68 1HD ARG 68 0.578 -11.693 -5.122 557 HE ARG 68 HE ARG 68 1.703 -10.770 -3.271 558 1HH1 ARG 68 1HH2 ARG 68 1.362 -14.227 -2.870 559 2HH1 ARG 68 2HH2 ARG 68 2.350 -14.262 -1.453 560 1HH2 ARG 68 1HH1 ARG 68 2.977 -10.862 -1.435 561 2HH2 ARG 68 2HH1 ARG 68 3.256 -12.379 -0.647 562 H LEU 69 H LEU 69 -0.940 -8.350 -3.690 563 HA LEU 69 HA LEU 69 -3.064 -6.812 -4.806 564 1HB LEU 69 2HB LEU 69 -0.119 -6.501 -4.505 565 2HB LEU 69 1HB LEU 69 -0.904 -5.479 -5.709 566 HG LEU 69 HG LEU 69 -2.074 -5.727 -2.949 567 1HD1 LEU 69 1HD1 LEU 69 0.343 -5.119 -2.726 568 2HD1 LEU 69 2HD1 LEU 69 -0.748 -3.832 -2.210 569 3HD1 LEU 69 3HD1 LEU 69 0.051 -3.734 -3.779 570 1HD2 LEU 69 1HD2 LEU 69 -2.128 -3.722 -5.211 571 2HD2 LEU 69 2HD2 LEU 69 -2.690 -3.312 -3.591 572 3HD2 LEU 69 3HD2 LEU 69 -3.484 -4.597 -4.501 573 H GLY 70 H GLY 70 -0.579 -8.819 -6.309 574 1HA GLY 70 2HA GLY 70 -1.424 -7.985 -9.018 575 2HA GLY 70 1HA GLY 70 -0.096 -9.084 -8.644 576 H ARG 71 H ARG 71 -2.346 -9.476 -10.530 577 HA ARG 71 HA ARG 71 -3.289 -12.075 -9.431 578 1HB ARG 71 2HB ARG 71 -4.997 -10.032 -9.340 579 2HB ARG 71 1HB ARG 71 -5.219 -10.450 -11.039 580 1HG ARG 71 2HG ARG 71 -5.206 -12.873 -9.474 581 2HG ARG 71 1HG ARG 71 -6.351 -11.738 -8.764 582 1HD ARG 71 2HD ARG 71 -6.472 -11.865 -11.705 583 2HD ARG 71 1HD ARG 71 -6.897 -13.378 -10.902 584 HE ARG 71 HE ARG 71 -8.453 -10.915 -10.851 585 1HH1 ARG 71 1HH2 ARG 71 -7.689 -13.864 -9.131 586 2HH1 ARG 71 2HH2 ARG 71 -9.187 -13.868 -8.269 587 1HH2 ARG 71 1HH1 ARG 71 -10.378 -10.961 -9.712 588 2HH2 ARG 71 2HH1 ARG 71 -10.695 -12.243 -8.592 589 H ASP 72 H ASP 72 -3.558 -10.034 -12.369 590 HA ASP 72 HA ASP 72 -2.529 -12.361 -13.937 591 1HB ASP 72 2HB ASP 72 -5.011 -12.127 -14.188 592 2HB ASP 72 1HB ASP 72 -4.757 -10.501 -14.819 593 H THR 73 H THR 73 -3.496 -8.975 -14.612 594 HA THR 73 HA THR 73 -0.911 -8.628 -16.037 595 HB THR 73 HB THR 73 -3.057 -8.066 -17.222 596 HG1 THR 73 1HG THR 73 -2.264 -6.106 -17.993 597 1HG2 THR 73 1HG2 THR 73 -3.889 -6.993 -14.881 598 2HG2 THR 73 2HG2 THR 73 -4.554 -6.515 -16.443 599 3HG2 THR 73 3HG2 THR 73 -3.300 -5.535 -15.680 600 H ALA 74 H ALA 74 -0.858 -5.757 -15.788 601 HA ALA 74 HA ALA 74 0.587 -5.482 -13.322 602 1HB ALA 74 1HB ALA 74 -0.405 -3.579 -15.432 603 2HB ALA 74 2HB ALA 74 1.256 -3.995 -15.011 604 3HB ALA 74 3HB ALA 74 0.309 -2.958 -13.944 605 H ASP 75 H ASP 75 -1.098 -6.275 -11.812 606 HA ASP 75 HA ASP 75 -3.347 -4.396 -11.327 607 1HB ASP 75 2HB ASP 75 -2.678 -7.175 -10.360 608 2HB ASP 75 1HB ASP 75 -3.892 -6.196 -9.533 609 H MET 76 H MET 76 -0.418 -5.677 -9.820 610 HA MET 76 HA MET 76 -0.816 -4.055 -7.395 611 1HB MET 76 2HB MET 76 0.208 -6.324 -7.292 612 2HB MET 76 1HB MET 76 1.565 -5.727 -8.244 613 1HG MET 76 2HG MET 76 0.953 -4.037 -5.912 614 2HG MET 76 1HG MET 76 1.409 -5.682 -5.480 615 1HE MET 76 1HE MET 76 3.467 -6.691 -5.562 616 2HE MET 76 2HE MET 76 4.920 -6.199 -6.429 617 3HE MET 76 3HE MET 76 3.520 -6.779 -7.329 618 H ILE 77 H ILE 77 0.252 -3.342 -10.489 619 HA ILE 77 HA ILE 77 2.193 -1.316 -9.476 620 HB ILE 77 HB ILE 77 1.894 -2.554 -12.235 621 1HG1 ILE 77 2HG1 ILE 77 4.429 -3.071 -11.438 622 2HG1 ILE 77 1HG1 ILE 77 3.625 -3.050 -9.868 623 1HG2 ILE 77 1HG2 ILE 77 3.650 -0.329 -11.185 624 2HG2 ILE 77 2HG2 ILE 77 2.633 -0.333 -12.626 625 3HG2 ILE 77 3HG2 ILE 77 4.116 -1.288 -12.591 626 1HD1 ILE 77 1HD1 ILE 77 1.840 -4.546 -11.155 627 2HD1 ILE 77 2HD1 ILE 77 3.288 -5.264 -10.450 628 3HD1 ILE 77 3HD1 ILE 77 3.230 -4.911 -12.177 629 H GLN 78 H GLN 78 -0.783 -1.828 -11.273 630 HA GLN 78 HA GLN 78 -0.985 0.699 -12.550 631 1HB GLN 78 2HB GLN 78 -2.620 -1.571 -12.242 632 2HB GLN 78 1HB GLN 78 -3.571 -0.234 -11.603 633 1HG GLN 78 2HG GLN 78 -3.999 -0.435 -13.990 634 2HG GLN 78 1HG GLN 78 -3.090 1.048 -13.696 635 1HE2 GLN 78 1HE2 GLN 78 -2.002 1.118 -15.745 636 2HE2 GLN 78 2HE2 GLN 78 -0.873 -0.056 -16.221 637 H LEU 79 H LEU 79 -3.000 -0.128 -9.709 638 HA LEU 79 HA LEU 79 -3.452 2.587 -9.012 639 1HB LEU 79 2HB LEU 79 -4.417 1.791 -6.960 640 2HB LEU 79 1HB LEU 79 -4.810 0.617 -8.209 641 HG LEU 79 HG LEU 79 -2.382 0.235 -6.459 642 1HD1 LEU 79 1HD1 LEU 79 -4.949 -1.104 -5.763 643 2HD1 LEU 79 2HD1 LEU 79 -4.747 0.577 -5.271 644 3HD1 LEU 79 3HD1 LEU 79 -3.600 -0.646 -4.723 645 1HD2 LEU 79 1HD2 LEU 79 -3.232 -2.208 -6.930 646 2HD2 LEU 79 2HD2 LEU 79 -2.363 -1.337 -8.194 647 3HD2 LEU 79 3HD2 LEU 79 -4.123 -1.441 -8.244 648 H ILE 80 H ILE 80 -0.827 0.416 -8.119 649 HA ILE 80 HA ILE 80 0.257 2.096 -6.037 650 HB ILE 80 HB ILE 80 1.320 -0.195 -7.694 651 1HG1 ILE 80 2HG1 ILE 80 1.698 -0.940 -5.188 652 2HG1 ILE 80 1HG1 ILE 80 0.542 0.344 -4.845 653 1HG2 ILE 80 1HG2 ILE 80 2.918 1.705 -5.984 654 2HG2 ILE 80 2HG2 ILE 80 3.352 0.973 -7.530 655 3HG2 ILE 80 3HG2 ILE 80 3.365 0.000 -6.058 656 1HD1 ILE 80 1HD1 ILE 80 -0.012 -2.295 -5.731 657 2HD1 ILE 80 2HD1 ILE 80 -0.430 -1.218 -7.061 658 3HD1 ILE 80 3HD1 ILE 80 -1.160 -0.984 -5.474 659 H LYS 81 H LYS 81 0.471 2.085 -9.547 660 HA LYS 81 HA LYS 81 2.645 4.066 -9.547 661 1HB LYS 81 2HB LYS 81 2.798 2.512 -11.337 662 2HB LYS 81 1HB LYS 81 1.069 2.582 -11.656 663 1HG LYS 81 2HG LYS 81 2.638 5.100 -11.969 664 2HG LYS 81 1HG LYS 81 2.806 3.856 -13.212 665 1HD LYS 81 2HD LYS 81 0.019 4.124 -12.508 666 2HD LYS 81 1HD LYS 81 0.675 5.706 -12.886 667 1HE LYS 81 2HE LYS 81 1.750 4.057 -14.866 668 2HE LYS 81 1HE LYS 81 0.102 3.463 -14.665 669 1HZ LYS 81 1HZ LYS 81 -0.749 5.652 -15.023 670 2HZ LYS 81 2HZ LYS 81 0.312 5.286 -16.298 671 3HZ LYS 81 3HZ LYS 81 0.810 6.322 -15.046 672 H GLU 82 H GLU 82 -0.855 3.856 -9.900 673 HA GLU 82 HA GLU 82 -1.306 6.522 -10.878 674 1HB GLU 82 2HB GLU 82 -2.921 4.396 -10.523 675 2HB GLU 82 1HB GLU 82 -3.295 5.271 -9.037 676 1HG GLU 82 2HG GLU 82 -4.840 6.179 -10.544 677 2HG GLU 82 1HG GLU 82 -3.518 7.343 -10.617 678 H PHE 83 H PHE 83 -1.262 5.110 -7.604 679 HA PHE 83 HA PHE 83 -1.729 7.583 -6.208 680 1HB PHE 83 2HB PHE 83 -0.397 4.989 -5.367 681 2HB PHE 83 1HB PHE 83 -0.691 6.329 -4.259 682 HD1 PHE 83 1HD PHE 83 -3.271 7.346 -4.821 683 HD2 PHE 83 2HD PHE 83 -1.934 3.272 -5.048 684 HE1 PHE 83 1HE PHE 83 -5.598 6.563 -4.483 685 HE2 PHE 83 2HE PHE 83 -4.263 2.488 -4.713 686 HZ PHE 83 HZ PHE 83 -6.096 4.135 -4.430 687 H ASP 84 H ASP 84 1.133 5.935 -7.420 688 HA ASP 84 HA ASP 84 3.134 7.507 -6.132 689 1HB ASP 84 2HB ASP 84 3.322 5.340 -7.591 690 2HB ASP 84 1HB ASP 84 3.441 6.463 -8.941 691 H ALA 85 H ALA 85 1.292 7.973 -9.113 692 HA ALA 85 HA ALA 85 2.730 10.427 -9.819 693 1HB ALA 85 1HB ALA 85 1.229 10.538 -11.705 694 2HB ALA 85 2HB ALA 85 0.124 9.384 -10.957 695 3HB ALA 85 3HB ALA 85 1.713 8.854 -11.509 696 H GLN 86 H GLN 86 -0.066 9.589 -7.909 697 HA GLN 86 HA GLN 86 -1.222 12.273 -8.043 698 1HB GLN 86 2HB GLN 86 -1.993 9.647 -7.021 699 2HB GLN 86 1HB GLN 86 -2.382 10.935 -5.885 700 1HG GLN 86 2HG GLN 86 -3.254 12.120 -8.122 701 2HG GLN 86 1HG GLN 86 -3.445 10.442 -8.628 702 1HE2 GLN 86 1HE2 GLN 86 -4.521 12.847 -6.240 703 2HE2 GLN 86 2HE2 GLN 86 -5.865 11.960 -5.702 704 H GLY 87 H GLY 87 1.537 11.252 -6.604 705 1HA GLY 87 2HA GLY 87 2.846 12.245 -4.928 706 2HA GLY 87 1HA GLY 87 1.566 13.440 -4.710 707 H VAL 88 H VAL 88 0.951 9.992 -4.525 708 HA VAL 88 HA VAL 88 0.449 10.312 -1.593 709 HB VAL 88 HB VAL 88 -0.897 8.413 -3.540 710 1HG1 VAL 88 1HG1 VAL 88 -0.713 7.675 -1.128 711 2HG1 VAL 88 2HG1 VAL 88 -2.369 7.878 -1.698 712 3HG1 VAL 88 3HG1 VAL 88 -1.628 9.114 -0.682 713 1HG2 VAL 88 1HG2 VAL 88 -1.499 10.791 -3.919 714 2HG2 VAL 88 2HG2 VAL 88 -1.930 10.941 -2.214 715 3HG2 VAL 88 3HG2 VAL 88 -2.857 9.875 -3.269 716 H SER 89 H SER 89 1.113 8.608 -0.224 717 HA SER 89 HA SER 89 3.191 6.838 -1.419 718 1HB SER 89 2HB SER 89 2.808 8.133 1.232 719 2HB SER 89 1HB SER 89 3.544 6.533 1.240 720 HG SER 89 HG SER 89 4.484 8.947 0.239 721 H ILE 90 H ILE 90 3.322 4.608 -0.486 722 HA ILE 90 HA ILE 90 0.693 3.582 0.476 723 HB ILE 90 HB ILE 90 2.363 2.184 -1.631 724 1HG1 ILE 90 2HG1 ILE 90 -0.185 3.806 -1.969 725 2HG1 ILE 90 1HG1 ILE 90 1.415 4.314 -2.502 726 1HG2 ILE 90 1HG2 ILE 90 -0.529 1.729 -0.879 727 2HG2 ILE 90 2HG2 ILE 90 0.784 0.913 -0.032 728 3HG2 ILE 90 3HG2 ILE 90 0.552 0.650 -1.760 729 1HD1 ILE 90 1HD1 ILE 90 0.219 3.358 -4.393 730 2HD1 ILE 90 2HD1 ILE 90 -0.126 1.893 -3.475 731 3HD1 ILE 90 3HD1 ILE 90 1.532 2.271 -3.939 732 H ARG 91 H ARG 91 1.020 2.487 2.325 733 HA ARG 91 HA ARG 91 3.756 1.532 2.965 734 1HB ARG 91 2HB ARG 91 1.290 2.150 4.577 735 2HB ARG 91 1HB ARG 91 2.570 1.149 5.262 736 1HG ARG 91 2HG ARG 91 4.197 2.901 4.956 737 2HG ARG 91 1HG ARG 91 3.050 3.878 4.043 738 1HD ARG 91 2HD ARG 91 1.666 4.203 5.991 739 2HD ARG 91 1HD ARG 91 2.609 3.038 6.919 740 HE ARG 91 HE ARG 91 3.313 5.819 6.455 741 1HH1 ARG 91 1HH2 ARG 91 4.590 2.612 7.015 742 2HH1 ARG 91 2HH2 ARG 91 6.067 3.209 7.686 743 1HH2 ARG 91 1HH1 ARG 91 5.240 6.547 7.328 744 2HH2 ARG 91 2HH1 ARG 91 6.434 5.412 7.861 745 H PHE 92 H PHE 92 4.210 -0.634 3.310 746 HA PHE 92 HA PHE 92 1.949 -2.558 2.905 747 1HB PHE 92 2HB PHE 92 4.842 -2.806 2.011 748 2HB PHE 92 1HB PHE 92 3.637 -4.083 1.874 749 HD1 PHE 92 1HD PHE 92 1.515 -3.616 0.516 750 HD2 PHE 92 2HD PHE 92 4.992 -1.096 0.382 751 HE1 PHE 92 1HE PHE 92 0.722 -2.631 -1.616 752 HE2 PHE 92 2HE PHE 92 4.197 -0.113 -1.751 753 HZ PHE 92 HZ PHE 92 2.061 -0.880 -2.750 754 H ILE 93 H ILE 93 1.771 -4.147 4.465 755 HA ILE 93 HA ILE 93 3.079 -3.862 6.967 756 HB ILE 93 HB ILE 93 0.918 -5.024 6.688 757 1HG1 ILE 93 2HG1 ILE 93 1.479 -7.059 8.107 758 2HG1 ILE 93 1HG1 ILE 93 3.179 -6.640 7.896 759 1HG2 ILE 93 1HG2 ILE 93 0.794 -7.244 5.728 760 2HG2 ILE 93 2HG2 ILE 93 2.542 -7.287 5.494 761 3HG2 ILE 93 3HG2 ILE 93 1.552 -6.176 4.547 762 1HD1 ILE 93 1HD1 ILE 93 1.315 -4.488 8.803 763 2HD1 ILE 93 2HD1 ILE 93 3.017 -4.735 9.194 764 3HD1 ILE 93 3HD1 ILE 93 1.781 -5.724 9.972 765 H ASP 94 H ASP 94 3.771 -6.103 4.278 766 HA ASP 94 HA ASP 94 6.247 -6.958 5.701 767 1HB ASP 94 2HB ASP 94 4.590 -8.142 3.485 768 2HB ASP 94 1HB ASP 94 6.270 -8.635 3.693 769 H ASP 95 H ASP 95 6.156 -4.338 4.570 770 HA ASP 95 HA ASP 95 8.566 -4.291 3.059 771 1HB ASP 95 2HB ASP 95 6.072 -4.597 1.505 772 2HB ASP 95 1HB ASP 95 7.078 -3.245 0.988 773 H GLY 96 H GLY 96 8.694 -2.690 4.828 774 1HA GLY 96 2HA GLY 96 7.036 -0.265 4.574 775 2HA GLY 96 1HA GLY 96 8.258 -0.556 5.808 776 H ILE 97 H ILE 97 8.554 -0.677 2.259 777 HA ILE 97 HA ILE 97 10.779 1.271 2.454 778 HB ILE 97 HB ILE 97 10.159 -0.525 0.111 779 1HG1 ILE 97 2HG1 ILE 97 10.289 -1.917 2.189 780 2HG1 ILE 97 1HG1 ILE 97 11.589 -2.244 1.073 781 1HG2 ILE 97 1HG2 ILE 97 12.374 1.229 0.984 782 2HG2 ILE 97 2HG2 ILE 97 11.872 0.770 -0.643 783 3HG2 ILE 97 3HG2 ILE 97 12.870 -0.325 0.313 784 1HD1 ILE 97 1HD1 ILE 97 13.198 -1.357 2.460 785 2HD1 ILE 97 2HD1 ILE 97 12.018 -1.801 3.691 786 3HD1 ILE 97 3HD1 ILE 97 12.100 -0.139 3.108 787 H SER 98 H SER 98 10.965 2.632 0.337 788 HA SER 98 HA SER 98 8.579 4.179 -0.007 789 1HB SER 98 2HB SER 98 10.784 4.069 -2.060 790 2HB SER 98 1HB SER 98 9.803 5.449 -1.575 791 HG SER 98 HG SER 98 11.930 5.478 -0.678 792 H THR 99 H THR 99 7.957 4.536 -2.586 793 HA THR 99 HA THR 99 6.493 2.157 -3.285 794 HB THR 99 HB THR 99 7.066 4.346 -5.268 795 HG1 THR 99 1HG THR 99 6.534 5.605 -3.624 796 1HG2 THR 99 1HG2 THR 99 4.926 2.349 -4.684 797 2HG2 THR 99 2HG2 THR 99 5.599 2.851 -6.234 798 3HG2 THR 99 3HG2 THR 99 4.441 3.886 -5.400 799 H ASP 100 H ASP 100 8.261 0.590 -3.363 800 HA ASP 100 HA ASP 100 9.999 0.811 -5.780 801 1HB ASP 100 2HB ASP 100 10.806 0.291 -3.287 802 2HB ASP 100 1HB ASP 100 10.369 -1.353 -3.753 803 H GLY 101 H GLY 101 9.347 -0.345 -7.517 804 1HA GLY 101 2HA GLY 101 8.891 -2.903 -8.008 805 2HA GLY 101 1HA GLY 101 7.403 -2.560 -7.124 806 H GLU 102 H GLU 102 7.022 0.110 -8.118 807 HA GLU 102 HA GLU 102 5.590 -0.438 -10.532 808 1HB GLU 102 2HB GLU 102 5.380 2.053 -10.692 809 2HB GLU 102 1HB GLU 102 4.945 1.425 -9.103 810 1HG GLU 102 2HG GLU 102 7.026 2.107 -8.153 811 2HG GLU 102 1HG GLU 102 7.726 2.422 -9.741 812 H MET 103 H MET 103 8.882 0.605 -9.931 813 HA MET 103 HA MET 103 9.416 0.387 -12.840 814 1HB MET 103 2HB MET 103 9.093 2.831 -12.096 815 2HB MET 103 1HB MET 103 10.603 2.632 -11.208 816 1HG MET 103 2HG MET 103 11.848 2.240 -13.183 817 2HG MET 103 1HG MET 103 10.397 1.923 -14.133 818 1HE MET 103 1HE MET 103 13.007 3.883 -13.143 819 2HE MET 103 2HE MET 103 12.702 5.593 -13.440 820 3HE MET 103 3HE MET 103 12.894 4.489 -14.800 821 H GLY 104 H GLY 104 11.608 -0.207 -13.307 822 1HA GLY 104 2HA GLY 104 13.396 -0.751 -11.006 823 2HA GLY 104 1HA GLY 104 12.909 -2.130 -11.993 824 H LYS 105 H LYS 105 13.736 -2.327 -14.106 825 HA LYS 105 HA LYS 105 16.288 -1.013 -14.575 826 1HB LYS 105 2HB LYS 105 14.663 -3.130 -15.898 827 2HB LYS 105 1HB LYS 105 15.811 -2.260 -16.914 828 1HG LYS 105 2HG LYS 105 17.657 -2.884 -15.541 829 2HG LYS 105 1HG LYS 105 16.599 -3.437 -14.243 830 1HD LYS 105 2HD LYS 105 16.037 -5.401 -15.351 831 2HD LYS 105 1HD LYS 105 16.358 -4.715 -16.944 832 1HE LYS 105 2HE LYS 105 18.645 -5.060 -16.785 833 2HE LYS 105 1HE LYS 105 18.640 -4.984 -15.024 834 1HZ LYS 105 1HZ LYS 105 18.954 -7.224 -15.525 835 2HZ LYS 105 2HZ LYS 105 17.796 -7.216 -16.769 836 3HZ LYS 105 3HZ LYS 105 17.305 -7.120 -15.145 Start of MODEL 17 1 1H MET 1 1HT MET 1 -2.150 15.668 5.281 2 HA MET 1 HA MET 1 -2.574 13.471 4.279 3 1HB MET 1 2HB MET 1 -0.441 14.025 5.462 4 2HB MET 1 1HB MET 1 -1.141 13.388 6.951 5 1HG MET 1 2HG MET 1 -1.284 11.180 6.060 6 2HG MET 1 1HG MET 1 -0.978 11.745 4.418 7 1HE MET 1 1HE MET 1 1.723 9.640 6.781 8 2HE MET 1 2HE MET 1 -0.025 9.847 6.849 9 3HE MET 1 3HE MET 1 1.008 10.771 7.936 10 H ARG 2 H ARG 2 -3.509 11.425 4.496 11 HA ARG 2 HA ARG 2 -5.077 10.927 6.990 12 1HB ARG 2 2HB ARG 2 -5.975 11.002 4.149 13 2HB ARG 2 1HB ARG 2 -6.646 9.729 5.166 14 1HG ARG 2 2HG ARG 2 -8.133 11.581 5.396 15 2HG ARG 2 1HG ARG 2 -7.168 11.560 6.871 16 1HD ARG 2 2HD ARG 2 -6.064 13.494 6.339 17 2HD ARG 2 1HD ARG 2 -6.054 13.134 4.612 18 HE ARG 2 HE ARG 2 -8.737 13.653 5.315 19 1HH1 ARG 2 1HH2 ARG 2 -5.677 15.347 5.257 20 2HH1 ARG 2 2HH2 ARG 2 -6.420 16.887 5.000 21 1HH2 ARG 2 1HH1 ARG 2 -9.656 15.667 4.983 22 2HH2 ARG 2 2HH1 ARG 2 -8.646 17.069 4.848 23 H LEU 3 H LEU 3 -5.448 8.642 7.423 24 HA LEU 3 HA LEU 3 -3.331 6.924 6.212 25 1HB LEU 3 2HB LEU 3 -4.858 6.665 8.820 26 2HB LEU 3 1HB LEU 3 -3.661 5.506 8.240 27 HG LEU 3 HG LEU 3 -2.213 7.765 8.007 28 1HD1 LEU 3 1HD1 LEU 3 -4.400 8.848 9.118 29 2HD1 LEU 3 2HD1 LEU 3 -2.780 9.441 9.485 30 3HD1 LEU 3 3HD1 LEU 3 -3.587 8.332 10.595 31 1HD2 LEU 3 1HD2 LEU 3 -0.998 6.952 9.812 32 2HD2 LEU 3 2HD2 LEU 3 -1.986 5.540 9.442 33 3HD2 LEU 3 3HD2 LEU 3 -2.443 6.613 10.765 34 H PHE 4 H PHE 4 -4.509 6.267 4.350 35 HA PHE 4 HA PHE 4 -7.149 5.000 4.691 36 1HB PHE 4 2HB PHE 4 -5.362 5.594 2.332 37 2HB PHE 4 1HB PHE 4 -6.748 4.515 2.167 38 HD1 PHE 4 1HD PHE 4 -5.747 7.946 3.239 39 HD2 PHE 4 2HD PHE 4 -8.951 5.371 1.990 40 HE1 PHE 4 1HE PHE 4 -7.255 9.906 3.061 41 HE2 PHE 4 2HE PHE 4 -10.457 7.334 1.812 42 HZ PHE 4 HZ PHE 4 -9.609 9.601 2.347 43 H GLY 5 H GLY 5 -7.520 2.745 4.115 44 1HA GLY 5 2HA GLY 5 -5.085 1.035 4.052 45 2HA GLY 5 1HA GLY 5 -6.317 0.716 5.270 46 H TYR 6 H TYR 6 -5.262 -0.296 2.343 47 HA TYR 6 HA TYR 6 -7.884 -0.768 1.082 48 1HB TYR 6 2HB TYR 6 -5.847 -0.291 -0.280 49 2HB TYR 6 1HB TYR 6 -5.121 -1.780 0.320 50 HD1 TYR 6 1HD TYR 6 -5.129 -3.449 -1.294 51 HD2 TYR 6 2HD TYR 6 -8.538 -0.857 -0.955 52 HE1 TYR 6 1HE TYR 6 -6.283 -4.734 -3.074 53 HE2 TYR 6 2HE TYR 6 -9.691 -2.141 -2.735 54 HH TYR 6 HH TYR 6 -8.560 -3.782 -4.844 55 H ALA 7 H ALA 7 -9.047 -2.643 1.301 56 HA ALA 7 HA ALA 7 -7.698 -4.995 2.553 57 1HB ALA 7 1HB ALA 7 -9.997 -3.428 3.556 58 2HB ALA 7 2HB ALA 7 -8.862 -4.449 4.437 59 3HB ALA 7 3HB ALA 7 -10.222 -5.177 3.583 60 H ARG 8 H ARG 8 -9.374 -6.930 2.445 61 HA ARG 8 HA ARG 8 -11.309 -7.014 0.336 62 1HB ARG 8 2HB ARG 8 -9.241 -6.724 -1.051 63 2HB ARG 8 1HB ARG 8 -8.623 -8.229 -0.370 64 1HG ARG 8 2HG ARG 8 -10.049 -9.530 -1.595 65 2HG ARG 8 1HG ARG 8 -11.367 -8.361 -1.488 66 1HD ARG 8 2HD ARG 8 -10.565 -8.518 -3.803 67 2HD ARG 8 1HD ARG 8 -10.205 -6.923 -3.142 68 HE ARG 8 HE ARG 8 -7.950 -8.562 -2.650 69 1HH1 ARG 8 1HH2 ARG 8 -9.694 -7.224 -5.369 70 2HH1 ARG 8 2HH2 ARG 8 -8.287 -7.167 -6.372 71 1HH2 ARG 8 1HH1 ARG 8 -6.155 -8.471 -3.982 72 2HH2 ARG 8 2HH1 ARG 8 -6.304 -7.864 -5.598 73 H VAL 9 H VAL 9 -12.609 -8.563 1.184 74 HA VAL 9 HA VAL 9 -11.770 -10.471 3.125 75 HB VAL 9 HB VAL 9 -13.972 -11.508 2.804 76 1HG1 VAL 9 1HG1 VAL 9 -15.251 -9.653 3.507 77 2HG1 VAL 9 2HG1 VAL 9 -14.353 -8.534 2.483 78 3HG1 VAL 9 3HG1 VAL 9 -13.600 -9.204 3.929 79 1HG2 VAL 9 1HG2 VAL 9 -13.667 -10.685 0.140 80 2HG2 VAL 9 2HG2 VAL 9 -14.965 -9.672 0.765 81 3HG2 VAL 9 3HG2 VAL 9 -15.100 -11.427 0.848 82 H SER 10 H SER 10 -11.657 -12.809 2.908 83 HA SER 10 HA SER 10 -11.319 -13.919 0.203 84 1HB SER 10 2HB SER 10 -9.073 -13.007 1.729 85 2HB SER 10 1HB SER 10 -9.006 -14.765 1.669 86 HG SER 10 HG SER 10 -9.392 -14.502 -0.650 87 H THR 11 H THR 11 -12.982 -14.296 2.737 88 HA THR 11 HA THR 11 -12.782 -17.232 2.779 89 HB THR 11 HB THR 11 -11.312 -16.750 4.621 90 HG1 THR 11 1HG THR 11 -12.421 -17.764 6.200 91 1HG2 THR 11 1HG2 THR 11 -12.157 -14.340 4.823 92 2HG2 THR 11 2HG2 THR 11 -11.748 -15.158 6.329 93 3HG2 THR 11 3HG2 THR 11 -13.436 -14.990 5.847 94 H SER 12 H SER 12 -14.656 -18.050 4.347 95 HA SER 12 HA SER 12 -17.084 -16.655 3.446 96 1HB SER 12 2HB SER 12 -16.816 -19.209 5.037 97 2HB SER 12 1HB SER 12 -18.278 -18.621 4.249 98 HG SER 12 HG SER 12 -16.603 -20.204 3.187 99 H GLN 13 H GLN 13 -15.836 -17.823 6.556 100 HA GLN 13 HA GLN 13 -17.834 -16.560 8.142 101 1HB GLN 13 2HB GLN 13 -16.328 -17.006 10.001 102 2HB GLN 13 1HB GLN 13 -16.326 -18.374 8.894 103 1HG GLN 13 2HG GLN 13 -14.226 -17.664 7.915 104 2HG GLN 13 1HG GLN 13 -14.245 -16.169 8.854 105 1HE2 GLN 13 1HE2 GLN 13 -12.458 -16.503 10.247 106 2HE2 GLN 13 2HE2 GLN 13 -12.323 -17.821 11.308 107 H GLN 14 H GLN 14 -16.267 -15.043 10.024 108 HA GLN 14 HA GLN 14 -16.484 -12.415 9.037 109 1HB GLN 14 2HB GLN 14 -16.174 -13.112 11.452 110 2HB GLN 14 1HB GLN 14 -14.459 -13.324 11.100 111 1HG GLN 14 2HG GLN 14 -14.337 -11.134 11.739 112 2HG GLN 14 1HG GLN 14 -14.843 -10.842 10.075 113 1HE2 GLN 14 1HE2 GLN 14 -15.923 -10.808 13.436 114 2HE2 GLN 14 2HE2 GLN 14 -17.425 -10.076 13.137 115 H SER 15 H SER 15 -15.430 -11.531 7.358 116 HA SER 15 HA SER 15 -12.550 -12.244 6.959 117 1HB SER 15 2HB SER 15 -12.972 -11.816 4.529 118 2HB SER 15 1HB SER 15 -13.898 -13.174 5.158 119 HG SER 15 HG SER 15 -15.448 -12.041 4.224 120 H LEU 16 H LEU 16 -14.883 -9.758 5.899 121 HA LEU 16 HA LEU 16 -13.103 -7.651 5.450 122 1HB LEU 16 2HB LEU 16 -15.292 -7.248 4.749 123 2HB LEU 16 1HB LEU 16 -15.994 -7.824 6.253 124 HG LEU 16 HG LEU 16 -14.309 -5.350 6.348 125 1HD1 LEU 16 1HD1 LEU 16 -17.231 -5.258 5.584 126 2HD1 LEU 16 2HD1 LEU 16 -15.955 -5.233 4.367 127 3HD1 LEU 16 3HD1 LEU 16 -16.056 -3.942 5.566 128 1HD2 LEU 16 1HD2 LEU 16 -16.451 -4.890 7.889 129 2HD2 LEU 16 2HD2 LEU 16 -15.093 -5.858 8.462 130 3HD2 LEU 16 3HD2 LEU 16 -16.544 -6.650 7.847 131 H ASP 17 H ASP 17 -14.474 -8.709 8.552 132 HA ASP 17 HA ASP 17 -13.581 -6.509 10.136 133 1HB ASP 17 2HB ASP 17 -15.034 -8.753 10.635 134 2HB ASP 17 1HB ASP 17 -13.503 -9.197 11.387 135 H ILE 18 H ILE 18 -12.028 -9.635 9.423 136 HA ILE 18 HA ILE 18 -9.654 -9.219 10.921 137 HB ILE 18 HB ILE 18 -10.234 -10.865 8.441 138 1HG1 ILE 18 2HG1 ILE 18 -9.580 -12.035 11.098 139 2HG1 ILE 18 1HG1 ILE 18 -11.129 -11.203 10.965 140 1HG2 ILE 18 1HG2 ILE 18 -7.849 -10.489 8.400 141 2HG2 ILE 18 2HG2 ILE 18 -8.118 -12.106 9.052 142 3HG2 ILE 18 3HG2 ILE 18 -7.723 -10.771 10.137 143 1HD1 ILE 18 1HD1 ILE 18 -11.297 -12.607 8.714 144 2HD1 ILE 18 2HD1 ILE 18 -11.758 -13.314 10.263 145 3HD1 ILE 18 3HD1 ILE 18 -10.177 -13.668 9.566 146 H GLN 19 H GLN 19 -10.577 -8.066 7.710 147 HA GLN 19 HA GLN 19 -7.881 -7.202 7.023 148 1HB GLN 19 2HB GLN 19 -10.309 -5.958 5.760 149 2HB GLN 19 1HB GLN 19 -8.757 -6.350 5.034 150 1HG GLN 19 2HG GLN 19 -10.931 -8.312 5.820 151 2HG GLN 19 1HG GLN 19 -10.411 -7.911 4.191 152 1HE2 GLN 19 1HE2 GLN 19 -10.048 -10.236 6.562 153 2HE2 GLN 19 2HE2 GLN 19 -8.543 -10.867 6.098 154 H VAL 20 H VAL 20 -10.851 -5.416 7.961 155 HA VAL 20 HA VAL 20 -9.732 -2.841 8.172 156 HB VAL 20 HB VAL 20 -11.809 -4.101 9.997 157 1HG1 VAL 20 1HG1 VAL 20 -10.770 -1.336 9.635 158 2HG1 VAL 20 2HG1 VAL 20 -11.435 -2.109 11.074 159 3HG1 VAL 20 3HG1 VAL 20 -12.516 -1.511 9.815 160 1HG2 VAL 20 1HG2 VAL 20 -13.209 -2.597 8.244 161 2HG2 VAL 20 2HG2 VAL 20 -12.852 -4.300 7.960 162 3HG2 VAL 20 3HG2 VAL 20 -11.854 -3.055 7.211 163 H ARG 21 H ARG 21 -9.884 -5.376 10.684 164 HA ARG 21 HA ARG 21 -8.453 -3.946 12.708 165 1HB ARG 21 2HB ARG 21 -8.335 -6.942 12.241 166 2HB ARG 21 1HB ARG 21 -8.120 -6.089 13.769 167 1HG ARG 21 2HG ARG 21 -10.675 -5.391 12.571 168 2HG ARG 21 1HG ARG 21 -10.526 -7.140 12.732 169 1HD ARG 21 2HD ARG 21 -11.357 -6.595 14.827 170 2HD ARG 21 1HD ARG 21 -9.625 -6.524 15.142 171 HE ARG 21 HE ARG 21 -10.278 -3.946 14.343 172 1HH1 ARG 21 1HH2 ARG 21 -11.404 -6.142 16.822 173 2HH1 ARG 21 2HH2 ARG 21 -11.841 -4.861 17.899 174 1HH2 ARG 21 1HH1 ARG 21 -10.855 -2.321 15.770 175 2HH2 ARG 21 2HH1 ARG 21 -11.535 -2.722 17.312 176 H ALA 22 H ALA 22 -7.430 -5.853 9.932 177 HA ALA 22 HA ALA 22 -4.631 -5.979 10.578 178 1HB ALA 22 1HB ALA 22 -4.846 -7.374 8.803 179 2HB ALA 22 2HB ALA 22 -4.815 -5.935 7.785 180 3HB ALA 22 3HB ALA 22 -6.355 -6.616 8.304 181 H LEU 23 H LEU 23 -6.624 -3.672 8.744 182 HA LEU 23 HA LEU 23 -4.413 -1.953 8.007 183 1HB LEU 23 2HB LEU 23 -7.320 -1.140 8.306 184 2HB LEU 23 1HB LEU 23 -6.094 -0.371 7.302 185 HG LEU 23 HG LEU 23 -7.172 -3.178 6.914 186 1HD1 LEU 23 1HD1 LEU 23 -8.887 -1.864 6.098 187 2HD1 LEU 23 2HD1 LEU 23 -7.851 -1.925 4.673 188 3HD1 LEU 23 3HD1 LEU 23 -7.815 -0.514 5.728 189 1HD2 LEU 23 1HD2 LEU 23 -4.819 -2.951 6.218 190 2HD2 LEU 23 2HD2 LEU 23 -5.241 -1.534 5.256 191 3HD2 LEU 23 3HD2 LEU 23 -5.875 -3.120 4.815 192 H LYS 24 H LYS 24 -6.829 -1.920 10.625 193 HA LYS 24 HA LYS 24 -5.946 0.516 11.845 194 1HB LYS 24 2HB LYS 24 -7.866 -1.543 12.394 195 2HB LYS 24 1HB LYS 24 -6.912 -1.298 13.855 196 1HG LYS 24 2HG LYS 24 -8.499 0.350 14.162 197 2HG LYS 24 1HG LYS 24 -7.307 1.269 13.242 198 1HD LYS 24 2HD LYS 24 -9.396 1.688 12.172 199 2HD LYS 24 1HD LYS 24 -8.563 0.525 11.142 200 1HE LYS 24 2HE LYS 24 -10.960 -0.072 11.552 201 2HE LYS 24 1HE LYS 24 -9.834 -1.312 12.103 202 1HZ LYS 24 1HZ LYS 24 -10.159 -0.755 14.303 203 2HZ LYS 24 2HZ LYS 24 -11.718 -0.551 13.660 204 3HZ LYS 24 3HZ LYS 24 -10.730 0.802 13.947 205 H ASP 25 H ASP 25 -4.938 -2.863 12.228 206 HA ASP 25 HA ASP 25 -3.210 -2.531 14.461 207 1HB ASP 25 2HB ASP 25 -3.968 -4.676 13.120 208 2HB ASP 25 1HB ASP 25 -2.500 -4.369 12.203 209 H ALA 26 H ALA 26 -2.779 -2.038 11.012 210 HA ALA 26 HA ALA 26 0.054 -1.467 11.111 211 1HB ALA 26 1HB ALA 26 -0.218 -0.802 8.821 212 2HB ALA 26 2HB ALA 26 -1.945 -0.515 9.046 213 3HB ALA 26 3HB ALA 26 -1.313 -2.161 9.074 214 H GLY 27 H GLY 27 -2.897 0.416 11.483 215 1HA GLY 27 2HA GLY 27 -2.455 2.463 12.993 216 2HA GLY 27 1HA GLY 27 -1.257 2.899 11.775 217 H VAL 28 H VAL 28 -3.677 1.447 10.062 218 HA VAL 28 HA VAL 28 -4.595 3.859 8.854 219 HB VAL 28 HB VAL 28 -5.757 1.057 8.818 220 1HG1 VAL 28 1HG1 VAL 28 -6.952 1.691 6.867 221 2HG1 VAL 28 2HG1 VAL 28 -6.068 3.208 6.725 222 3HG1 VAL 28 3HG1 VAL 28 -7.240 2.989 8.023 223 1HG2 VAL 28 1HG2 VAL 28 -4.070 2.296 6.664 224 2HG2 VAL 28 2HG2 VAL 28 -4.337 0.589 7.024 225 3HG2 VAL 28 3HG2 VAL 28 -3.298 1.559 8.068 226 H LYS 29 H LYS 29 -6.641 4.888 9.040 227 HA LYS 29 HA LYS 29 -7.890 4.646 11.697 228 1HB LYS 29 2HB LYS 29 -7.677 6.674 9.623 229 2HB LYS 29 1HB LYS 29 -9.357 6.477 10.121 230 1HG LYS 29 2HG LYS 29 -8.962 7.262 12.236 231 2HG LYS 29 1HG LYS 29 -7.350 6.552 12.310 232 1HD LYS 29 2HD LYS 29 -6.349 8.377 11.326 233 2HD LYS 29 1HD LYS 29 -7.773 8.772 10.365 234 1HE LYS 29 2HE LYS 29 -8.802 9.919 12.109 235 2HE LYS 29 1HE LYS 29 -7.916 9.034 13.351 236 1HZ LYS 29 1HZ LYS 29 -7.089 11.279 13.165 237 2HZ LYS 29 2HZ LYS 29 -6.785 11.069 11.507 238 3HZ LYS 29 3HZ LYS 29 -5.896 10.186 12.655 239 H ALA 30 H ALA 30 -9.990 3.873 12.054 240 HA ALA 30 HA ALA 30 -11.038 1.934 10.237 241 1HB ALA 30 1HB ALA 30 -12.866 3.236 12.204 242 2HB ALA 30 2HB ALA 30 -11.459 2.377 12.834 243 3HB ALA 30 3HB ALA 30 -12.642 1.524 11.842 244 H ASN 31 H ASN 31 -11.662 5.363 10.653 245 HA ASN 31 HA ASN 31 -14.069 5.469 9.080 246 1HB ASN 31 2HB ASN 31 -12.544 7.260 10.604 247 2HB ASN 31 1HB ASN 31 -12.434 7.887 8.962 248 1HD2 ASN 31 1HD2 ASN 31 -14.918 6.614 11.248 249 2HD2 ASN 31 2HD2 ASN 31 -16.142 7.668 10.735 250 H ARG 32 H ARG 32 -10.670 5.281 8.292 251 HA ARG 32 HA ARG 32 -11.323 5.814 5.424 252 1HB ARG 32 2HB ARG 32 -8.499 5.718 6.456 253 2HB ARG 32 1HB ARG 32 -9.145 6.596 5.074 254 1HG ARG 32 2HG ARG 32 -10.535 7.828 7.015 255 2HG ARG 32 1HG ARG 32 -9.125 7.349 7.960 256 1HD ARG 32 2HD ARG 32 -8.184 9.245 7.145 257 2HD ARG 32 1HD ARG 32 -7.961 8.316 5.664 258 HE ARG 32 HE ARG 32 -9.656 9.609 4.660 259 1HH1 ARG 32 1HH2 ARG 32 -9.771 9.959 8.137 260 2HH1 ARG 32 2HH2 ARG 32 -10.966 11.207 8.072 261 1HH2 ARG 32 1HH1 ARG 32 -11.202 11.225 4.622 262 2HH2 ARG 32 2HH1 ARG 32 -11.769 11.917 6.105 263 H ILE 33 H ILE 33 -12.152 3.409 6.008 264 HA ILE 33 HA ILE 33 -9.918 1.524 5.369 265 HB ILE 33 HB ILE 33 -12.618 0.948 6.631 266 1HG1 ILE 33 2HG1 ILE 33 -11.069 2.190 8.114 267 2HG1 ILE 33 1HG1 ILE 33 -11.330 0.543 8.683 268 1HG2 ILE 33 1HG2 ILE 33 -11.053 -1.223 7.137 269 2HG2 ILE 33 2HG2 ILE 33 -10.453 -0.758 5.546 270 3HG2 ILE 33 3HG2 ILE 33 -12.165 -1.118 5.771 271 1HD1 ILE 33 1HD1 ILE 33 -9.090 0.284 8.692 272 2HD1 ILE 33 2HD1 ILE 33 -8.856 1.829 7.877 273 3HD1 ILE 33 3HD1 ILE 33 -9.135 0.368 6.932 274 H PHE 34 H PHE 34 -9.908 1.260 3.179 275 HA PHE 34 HA PHE 34 -12.520 1.079 1.755 276 1HB PHE 34 2HB PHE 34 -9.712 1.736 0.877 277 2HB PHE 34 1HB PHE 34 -10.924 1.221 -0.297 278 HD1 PHE 34 1HD PHE 34 -12.227 2.869 -1.297 279 HD2 PHE 34 2HD PHE 34 -10.617 3.560 2.625 280 HE1 PHE 34 1HE PHE 34 -13.207 5.146 -1.296 281 HE2 PHE 34 2HE PHE 34 -11.594 5.838 2.625 282 HZ PHE 34 HZ PHE 34 -12.889 6.632 0.667 283 H THR 35 H THR 35 -12.738 -1.121 2.716 284 HA THR 35 HA THR 35 -10.898 -3.201 1.781 285 HB THR 35 HB THR 35 -11.941 -3.466 3.970 286 HG1 THR 35 1HG THR 35 -12.301 -5.522 3.659 287 1HG2 THR 35 1HG2 THR 35 -13.956 -2.272 3.870 288 2HG2 THR 35 2HG2 THR 35 -14.499 -3.949 3.902 289 3HG2 THR 35 3HG2 THR 35 -14.461 -3.064 2.378 290 H ASP 36 H ASP 36 -11.920 -5.166 0.671 291 HA ASP 36 HA ASP 36 -13.913 -4.284 -1.379 292 1HB ASP 36 2HB ASP 36 -11.390 -5.926 -1.715 293 2HB ASP 36 1HB ASP 36 -12.675 -5.908 -2.922 294 H LYS 37 H LYS 37 -15.749 -5.414 -0.953 295 HA LYS 37 HA LYS 37 -15.765 -7.868 0.561 296 1HB LYS 37 2HB LYS 37 -17.976 -6.725 -1.172 297 2HB LYS 37 1HB LYS 37 -18.161 -7.903 0.125 298 1HG LYS 37 2HG LYS 37 -17.022 -5.130 0.551 299 2HG LYS 37 1HG LYS 37 -18.724 -5.523 0.779 300 1HD LYS 37 2HD LYS 37 -16.559 -7.095 2.179 301 2HD LYS 37 1HD LYS 37 -17.189 -5.599 2.860 302 1HE LYS 37 2HE LYS 37 -18.707 -7.004 3.826 303 2HE LYS 37 1HE LYS 37 -19.518 -6.844 2.269 304 1HZ LYS 37 1HZ LYS 37 -18.884 -9.180 3.321 305 2HZ LYS 37 2HZ LYS 37 -17.446 -8.888 2.465 306 3HZ LYS 37 3HZ LYS 37 -18.935 -8.920 1.646 307 H ALA 38 H ALA 38 -14.140 -8.955 -0.902 308 HA ALA 38 HA ALA 38 -14.979 -9.859 -3.532 309 1HB ALA 38 1HB ALA 38 -12.913 -11.008 -3.604 310 2HB ALA 38 2HB ALA 38 -12.847 -11.179 -1.850 311 3HB ALA 38 3HB ALA 38 -12.564 -9.604 -2.593 312 H SER 39 H SER 39 -17.130 -10.534 -2.203 313 HA SER 39 HA SER 39 -16.839 -13.423 -1.484 314 1HB SER 39 2HB SER 39 -17.621 -11.992 0.388 315 2HB SER 39 1HB SER 39 -18.983 -11.467 -0.599 316 HG SER 39 HG SER 39 -19.413 -13.263 0.849 317 H GLY 40 H GLY 40 -18.689 -11.038 -3.318 318 1HA GLY 40 2HA GLY 40 -20.760 -12.763 -4.255 319 2HA GLY 40 1HA GLY 40 -20.215 -11.303 -5.079 320 H SER 41 H SER 41 -20.489 -12.502 -7.105 321 HA SER 41 HA SER 41 -19.094 -14.910 -7.734 322 1HB SER 41 2HB SER 41 -19.950 -12.621 -9.528 323 2HB SER 41 1HB SER 41 -19.385 -14.184 -10.110 324 HG SER 41 HG SER 41 -21.820 -13.538 -9.433 325 H SER 42 H SER 42 -18.235 -11.661 -8.971 326 HA SER 42 HA SER 42 -15.403 -12.535 -9.104 327 1HB SER 42 2HB SER 42 -16.815 -11.214 -10.941 328 2HB SER 42 1HB SER 42 -16.290 -9.823 -9.998 329 HG SER 42 HG SER 42 -14.611 -10.099 -11.299 330 H SER 43 H SER 43 -13.776 -10.745 -8.468 331 HA SER 43 HA SER 43 -14.080 -10.154 -5.685 332 1HB SER 43 2HB SER 43 -11.954 -10.237 -7.340 333 2HB SER 43 1HB SER 43 -12.208 -8.495 -7.303 334 HG SER 43 HG SER 43 -11.467 -10.259 -5.276 335 H ASP 44 H ASP 44 -14.246 -8.018 -4.686 336 HA ASP 44 HA ASP 44 -15.998 -6.204 -6.265 337 1HB ASP 44 2HB ASP 44 -16.458 -7.206 -3.820 338 2HB ASP 44 1HB ASP 44 -15.541 -5.775 -3.350 339 H ARG 45 H ARG 45 -14.071 -5.375 -7.413 340 HA ARG 45 HA ARG 45 -11.973 -3.988 -5.980 341 1HB ARG 45 2HB ARG 45 -12.816 -4.307 -8.818 342 2HB ARG 45 1HB ARG 45 -11.850 -2.880 -8.437 343 1HG ARG 45 2HG ARG 45 -10.001 -4.129 -7.797 344 2HG ARG 45 1HG ARG 45 -10.974 -5.533 -7.358 345 1HD ARG 45 2HD ARG 45 -9.964 -6.220 -9.363 346 2HD ARG 45 1HD ARG 45 -11.538 -5.637 -9.904 347 HE ARG 45 HE ARG 45 -9.542 -3.532 -9.928 348 1HH1 ARG 45 1HH2 ARG 45 -10.782 -6.285 -11.696 349 2HH1 ARG 45 2HH2 ARG 45 -10.233 -5.679 -13.221 350 1HH2 ARG 45 1HH1 ARG 45 -8.849 -2.789 -11.923 351 2HH2 ARG 45 2HH1 ARG 45 -9.152 -3.723 -13.350 352 H LYS 46 H LYS 46 -13.779 -2.883 -4.597 353 HA LYS 46 HA LYS 46 -14.653 -0.350 -5.922 354 1HB LYS 46 2HB LYS 46 -15.704 -1.737 -3.437 355 2HB LYS 46 1HB LYS 46 -16.267 -0.172 -4.021 356 1HG LYS 46 2HG LYS 46 -16.360 -2.742 -5.626 357 2HG LYS 46 1HG LYS 46 -17.731 -2.047 -4.763 358 1HD LYS 46 2HD LYS 46 -16.889 0.113 -6.206 359 2HD LYS 46 1HD LYS 46 -16.478 -1.202 -7.307 360 1HE LYS 46 2HE LYS 46 -18.907 -2.051 -6.696 361 2HE LYS 46 1HE LYS 46 -19.167 -0.356 -6.283 362 1HZ LYS 46 1HZ LYS 46 -18.790 0.319 -8.436 363 2HZ LYS 46 2HZ LYS 46 -19.594 -1.156 -8.684 364 3HZ LYS 46 3HZ LYS 46 -17.905 -1.068 -8.845 365 H GLY 47 H GLY 47 -13.207 -1.682 -2.947 366 1HA GLY 47 2HA GLY 47 -12.665 0.802 -1.658 367 2HA GLY 47 1HA GLY 47 -11.759 -0.689 -1.386 368 H LEU 48 H LEU 48 -10.966 -0.971 -4.172 369 HA LEU 48 HA LEU 48 -8.645 0.830 -4.146 370 1HB LEU 48 2HB LEU 48 -8.444 -1.576 -4.763 371 2HB LEU 48 1HB LEU 48 -9.479 -1.286 -6.161 372 HG LEU 48 HG LEU 48 -7.048 0.427 -5.798 373 1HD1 LEU 48 1HD1 LEU 48 -7.114 -2.488 -6.520 374 2HD1 LEU 48 2HD1 LEU 48 -5.928 -1.607 -5.557 375 3HD1 LEU 48 3HD1 LEU 48 -5.948 -1.429 -7.311 376 1HD2 LEU 48 1HD2 LEU 48 -7.169 -0.079 -8.395 377 2HD2 LEU 48 2HD2 LEU 48 -8.275 1.086 -7.670 378 3HD2 LEU 48 3HD2 LEU 48 -8.822 -0.554 -8.013 379 H ASP 49 H ASP 49 -11.434 0.170 -6.273 380 HA ASP 49 HA ASP 49 -10.871 2.113 -8.272 381 1HB ASP 49 2HB ASP 49 -13.235 0.583 -7.362 382 2HB ASP 49 1HB ASP 49 -13.609 2.093 -8.189 383 H LEU 50 H LEU 50 -12.316 2.398 -5.083 384 HA LEU 50 HA LEU 50 -13.095 5.201 -5.516 385 1HB LEU 50 2HB LEU 50 -13.065 3.554 -2.969 386 2HB LEU 50 1HB LEU 50 -13.852 5.117 -3.187 387 HG LEU 50 HG LEU 50 -14.532 2.859 -5.043 388 1HD1 LEU 50 1HD1 LEU 50 -15.909 1.785 -3.548 389 2HD1 LEU 50 2HD1 LEU 50 -16.201 3.248 -2.606 390 3HD1 LEU 50 3HD1 LEU 50 -14.691 2.358 -2.408 391 1HD2 LEU 50 1HD2 LEU 50 -16.687 4.055 -5.102 392 2HD2 LEU 50 2HD2 LEU 50 -15.356 5.150 -5.483 393 3HD2 LEU 50 3HD2 LEU 50 -16.097 5.186 -3.883 394 H LEU 51 H LEU 51 -10.440 3.377 -4.111 395 HA LEU 51 HA LEU 51 -9.216 5.453 -2.570 396 1HB LEU 51 2HB LEU 51 -8.633 2.828 -3.072 397 2HB LEU 51 1HB LEU 51 -7.404 3.626 -4.046 398 HG LEU 51 HG LEU 51 -6.766 4.981 -2.048 399 1HD1 LEU 51 1HD1 LEU 51 -9.205 4.192 -1.044 400 2HD1 LEU 51 2HD1 LEU 51 -7.901 4.883 -0.083 401 3HD1 LEU 51 3HD1 LEU 51 -8.094 3.133 -0.175 402 1HD2 LEU 51 1HD2 LEU 51 -5.962 2.500 -2.724 403 2HD2 LEU 51 2HD2 LEU 51 -6.598 2.160 -1.114 404 3HD2 LEU 51 3HD2 LEU 51 -5.319 3.354 -1.321 405 H ARG 52 H ARG 52 -9.217 4.750 -6.017 406 HA ARG 52 HA ARG 52 -7.070 6.500 -6.768 407 1HB ARG 52 2HB ARG 52 -9.359 5.185 -8.160 408 2HB ARG 52 1HB ARG 52 -8.585 6.544 -8.976 409 1HG ARG 52 2HG ARG 52 -7.155 4.926 -9.728 410 2HG ARG 52 1HG ARG 52 -6.387 5.177 -8.160 411 1HD ARG 52 2HD ARG 52 -6.952 3.107 -7.463 412 2HD ARG 52 1HD ARG 52 -8.631 3.326 -7.957 413 HE ARG 52 HE ARG 52 -6.583 1.936 -9.466 414 1HH1 ARG 52 1HH2 ARG 52 -9.469 3.891 -9.748 415 2HH1 ARG 52 2HH2 ARG 52 -9.876 3.248 -11.301 416 1HH2 ARG 52 1HH1 ARG 52 -7.146 1.130 -11.476 417 2HH2 ARG 52 2HH1 ARG 52 -8.577 1.701 -12.270 418 H MET 53 H MET 53 -10.356 7.118 -5.793 419 HA MET 53 HA MET 53 -10.082 9.957 -6.698 420 1HB MET 53 2HB MET 53 -12.617 9.996 -6.348 421 2HB MET 53 1HB MET 53 -12.042 9.027 -7.702 422 1HG MET 53 2HG MET 53 -12.253 6.985 -6.410 423 2HG MET 53 1HG MET 53 -12.651 7.900 -4.957 424 1HE MET 53 1HE MET 53 -13.296 6.544 -8.115 425 2HE MET 53 2HE MET 53 -14.449 7.630 -8.885 426 3HE MET 53 3HE MET 53 -15.022 6.159 -8.104 427 H LYS 54 H LYS 54 -10.532 7.852 -3.946 428 HA LYS 54 HA LYS 54 -11.324 10.033 -2.152 429 1HB LYS 54 2HB LYS 54 -10.924 7.090 -1.932 430 2HB LYS 54 1HB LYS 54 -10.774 8.046 -0.456 431 1HG LYS 54 2HG LYS 54 -13.108 8.570 -2.257 432 2HG LYS 54 1HG LYS 54 -13.144 7.133 -1.238 433 1HD LYS 54 2HD LYS 54 -12.571 8.633 0.725 434 2HD LYS 54 1HD LYS 54 -12.843 10.010 -0.345 435 1HE LYS 54 2HE LYS 54 -15.133 8.909 -0.847 436 2HE LYS 54 1HE LYS 54 -14.830 7.946 0.598 437 1HZ LYS 54 1HZ LYS 54 -14.539 10.000 1.848 438 2HZ LYS 54 2HZ LYS 54 -16.076 9.935 1.131 439 3HZ LYS 54 3HZ LYS 54 -14.862 10.913 0.457 440 H VAL 55 H VAL 55 -8.381 8.358 -3.055 441 HA VAL 55 HA VAL 55 -6.740 8.989 -0.849 442 HB VAL 55 HB VAL 55 -6.118 7.481 -2.720 443 1HG1 VAL 55 1HG1 VAL 55 -5.787 10.090 -4.231 444 2HG1 VAL 55 2HG1 VAL 55 -6.933 8.806 -4.605 445 3HG1 VAL 55 3HG1 VAL 55 -5.203 8.526 -4.797 446 1HG2 VAL 55 1HG2 VAL 55 -3.784 8.080 -2.753 447 2HG2 VAL 55 2HG2 VAL 55 -4.440 8.499 -1.170 448 3HG2 VAL 55 3HG2 VAL 55 -4.166 9.760 -2.373 449 H GLU 56 H GLU 56 -5.435 10.797 -0.358 450 HA GLU 56 HA GLU 56 -6.141 13.292 -1.852 451 1HB GLU 56 2HB GLU 56 -6.586 12.800 0.782 452 2HB GLU 56 1HB GLU 56 -4.969 13.500 0.868 453 1HG GLU 56 2HG GLU 56 -5.678 15.567 0.188 454 2HG GLU 56 1HG GLU 56 -6.897 14.905 -0.901 455 H GLU 57 H GLU 57 -4.377 14.965 -1.841 456 HA GLU 57 HA GLU 57 -1.926 13.878 -2.857 457 1HB GLU 57 2HB GLU 57 -2.867 16.145 -3.426 458 2HB GLU 57 1HB GLU 57 -2.388 16.688 -1.817 459 1HG GLU 57 2HG GLU 57 -0.057 16.226 -2.286 460 2HG GLU 57 1HG GLU 57 -0.472 15.483 -3.832 461 H GLY 58 H GLY 58 -0.349 12.954 -1.662 462 1HA GLY 58 2HA GLY 58 1.342 12.892 0.019 463 2HA GLY 58 1HA GLY 58 0.540 14.231 0.840 464 H ASP 59 H ASP 59 -1.348 11.467 -0.159 465 HA ASP 59 HA ASP 59 -1.943 10.892 2.676 466 1HB ASP 59 2HB ASP 59 -3.234 10.397 0.060 467 2HB ASP 59 1HB ASP 59 -3.427 9.095 1.232 468 H VAL 60 H VAL 60 -2.062 8.516 3.309 469 HA VAL 60 HA VAL 60 0.193 6.998 2.054 470 HB VAL 60 HB VAL 60 0.327 5.921 4.442 471 1HG1 VAL 60 1HG1 VAL 60 2.251 7.020 3.796 472 2HG1 VAL 60 2HG1 VAL 60 1.743 8.054 5.131 473 3HG1 VAL 60 3HG1 VAL 60 1.406 8.532 3.467 474 1HG2 VAL 60 1HG2 VAL 60 -1.770 7.404 5.072 475 2HG2 VAL 60 2HG2 VAL 60 -0.551 8.647 5.345 476 3HG2 VAL 60 3HG2 VAL 60 -0.488 7.137 6.254 477 H ILE 61 H ILE 61 -0.558 5.215 1.077 478 HA ILE 61 HA ILE 61 -3.167 4.078 1.910 479 HB ILE 61 HB ILE 61 -1.386 3.483 -0.477 480 1HG1 ILE 61 2HG1 ILE 61 -4.078 4.769 -0.662 481 2HG1 ILE 61 1HG1 ILE 61 -2.734 5.760 -0.096 482 1HG2 ILE 61 1HG2 ILE 61 -4.193 2.558 0.207 483 2HG2 ILE 61 2HG2 ILE 61 -2.759 1.539 0.083 484 3HG2 ILE 61 3HG2 ILE 61 -3.413 2.320 -1.357 485 1HD1 ILE 61 1HD1 ILE 61 -3.152 5.743 -2.627 486 2HD1 ILE 61 2HD1 ILE 61 -2.539 4.089 -2.605 487 3HD1 ILE 61 3HD1 ILE 61 -1.499 5.420 -2.099 488 H LEU 62 H LEU 62 -2.772 2.826 3.718 489 HA LEU 62 HA LEU 62 -0.434 1.057 3.847 490 1HB LEU 62 2HB LEU 62 -2.329 2.173 5.705 491 2HB LEU 62 1HB LEU 62 -2.329 0.421 5.892 492 HG LEU 62 HG LEU 62 0.244 1.998 5.760 493 1HD1 LEU 62 1HD1 LEU 62 0.259 2.033 8.206 494 2HD1 LEU 62 2HD1 LEU 62 -1.316 1.240 8.249 495 3HD1 LEU 62 3HD1 LEU 62 -1.170 2.878 7.611 496 1HD2 LEU 62 1HD2 LEU 62 0.543 -0.361 5.446 497 2HD2 LEU 62 2HD2 LEU 62 -0.588 -0.742 6.746 498 3HD2 LEU 62 3HD2 LEU 62 0.981 -0.031 7.123 499 H VAL 63 H VAL 63 -0.481 -0.845 2.737 500 HA VAL 63 HA VAL 63 -3.113 -2.186 2.307 501 HB VAL 63 HB VAL 63 -0.462 -2.785 0.959 502 1HG1 VAL 63 1HG1 VAL 63 -1.893 -4.644 0.679 503 2HG1 VAL 63 2HG1 VAL 63 -2.159 -3.693 -0.781 504 3HG1 VAL 63 3HG1 VAL 63 -3.328 -3.629 0.538 505 1HG2 VAL 63 1HG2 VAL 63 -0.844 -0.665 0.115 506 2HG2 VAL 63 2HG2 VAL 63 -2.580 -0.748 0.408 507 3HG2 VAL 63 3HG2 VAL 63 -1.878 -1.587 -0.975 508 H LYS 64 H LYS 64 -3.496 -4.194 3.197 509 HA LYS 64 HA LYS 64 -1.473 -5.204 5.110 510 1HB LYS 64 2HB LYS 64 -3.347 -6.686 5.874 511 2HB LYS 64 1HB LYS 64 -3.732 -4.968 5.969 512 1HG LYS 64 2HG LYS 64 -5.158 -5.049 4.114 513 2HG LYS 64 1HG LYS 64 -4.419 -6.523 3.489 514 1HD LYS 64 2HD LYS 64 -5.892 -6.488 6.124 515 2HD LYS 64 1HD LYS 64 -6.732 -6.759 4.598 516 1HE LYS 64 2HE LYS 64 -5.783 -8.824 4.282 517 2HE LYS 64 1HE LYS 64 -4.273 -8.366 5.067 518 1HZ LYS 64 1HZ LYS 64 -5.587 -9.967 6.366 519 2HZ LYS 64 2HZ LYS 64 -6.838 -8.824 6.489 520 3HZ LYS 64 3HZ LYS 64 -5.327 -8.514 7.199 521 H LYS 65 H LYS 65 -1.782 -7.830 5.257 522 HA LYS 65 HA LYS 65 -1.421 -8.896 2.487 523 1HB LYS 65 2HB LYS 65 0.395 -10.359 3.420 524 2HB LYS 65 1HB LYS 65 0.798 -8.642 3.441 525 1HG LYS 65 2HG LYS 65 -0.012 -8.555 5.824 526 2HG LYS 65 1HG LYS 65 -0.182 -10.309 5.774 527 1HD LYS 65 2HD LYS 65 2.342 -10.087 4.842 528 2HD LYS 65 1HD LYS 65 2.281 -8.648 5.862 529 1HE LYS 65 2HE LYS 65 2.892 -10.166 7.475 530 2HE LYS 65 1HE LYS 65 1.147 -10.406 7.553 531 1HZ LYS 65 1HZ LYS 65 3.180 -12.069 6.212 532 2HZ LYS 65 2HZ LYS 65 1.553 -12.130 5.728 533 3HZ LYS 65 3HZ LYS 65 1.984 -12.538 7.318 534 H LEU 66 H LEU 66 -2.729 -10.601 2.109 535 HA LEU 66 HA LEU 66 -3.185 -12.794 3.855 536 1HB LEU 66 2HB LEU 66 -4.451 -11.153 5.228 537 2HB LEU 66 1HB LEU 66 -5.428 -10.737 3.823 538 HG LEU 66 HG LEU 66 -5.632 -13.517 3.949 539 1HD1 LEU 66 1HD1 LEU 66 -5.262 -12.341 6.664 540 2HD1 LEU 66 2HD1 LEU 66 -4.894 -13.965 6.081 541 3HD1 LEU 66 3HD1 LEU 66 -6.557 -13.523 6.468 542 1HD2 LEU 66 1HD2 LEU 66 -7.902 -12.687 5.209 543 2HD2 LEU 66 2HD2 LEU 66 -7.639 -12.527 3.473 544 3HD2 LEU 66 3HD2 LEU 66 -7.332 -11.159 4.542 545 H ASP 67 H ASP 67 -5.017 -10.691 1.646 546 HA ASP 67 HA ASP 67 -5.664 -13.065 -0.027 547 1HB ASP 67 2HB ASP 67 -7.259 -11.484 -1.157 548 2HB ASP 67 1HB ASP 67 -7.600 -11.704 0.559 549 H ARG 68 H ARG 68 -4.390 -13.377 -1.757 550 HA ARG 68 HA ARG 68 -2.163 -11.976 -2.561 551 1HB ARG 68 2HB ARG 68 -3.342 -14.186 -3.487 552 2HB ARG 68 1HB ARG 68 -3.832 -13.079 -4.772 553 1HG ARG 68 2HG ARG 68 -1.590 -12.564 -5.341 554 2HG ARG 68 1HG ARG 68 -0.968 -13.234 -3.832 555 1HD ARG 68 2HD ARG 68 -2.217 -14.788 -6.116 556 2HD ARG 68 1HD ARG 68 -0.520 -14.809 -5.634 557 HE ARG 68 HE ARG 68 -1.900 -15.572 -3.343 558 1HH1 ARG 68 1HH2 ARG 68 -1.717 -16.713 -6.644 559 2HH1 ARG 68 2HH2 ARG 68 -2.040 -18.352 -6.202 560 1HH2 ARG 68 1HH1 ARG 68 -2.315 -17.707 -2.817 561 2HH2 ARG 68 2HH1 ARG 68 -2.374 -18.912 -4.059 562 H LEU 69 H LEU 69 -1.803 -9.982 -3.320 563 HA LEU 69 HA LEU 69 -3.776 -8.050 -3.880 564 1HB LEU 69 2HB LEU 69 -0.854 -8.309 -4.265 565 2HB LEU 69 1HB LEU 69 -1.637 -7.147 -5.331 566 HG LEU 69 HG LEU 69 -2.005 -7.204 -2.323 567 1HD1 LEU 69 1HD1 LEU 69 0.100 -6.352 -2.298 568 2HD1 LEU 69 2HD1 LEU 69 -0.657 -4.882 -2.913 569 3HD1 LEU 69 3HD1 LEU 69 0.090 -6.024 -4.031 570 1HD2 LEU 69 1HD2 LEU 69 -2.519 -4.771 -3.941 571 2HD2 LEU 69 2HD2 LEU 69 -3.424 -5.428 -2.580 572 3HD2 LEU 69 3HD2 LEU 69 -3.646 -6.102 -4.193 573 H GLY 70 H GLY 70 -1.993 -10.146 -6.163 574 1HA GLY 70 2HA GLY 70 -4.077 -10.458 -8.012 575 2HA GLY 70 1HA GLY 70 -3.203 -9.017 -8.530 576 H ARG 71 H ARG 71 -2.944 -10.681 -10.422 577 HA ARG 71 HA ARG 71 -0.193 -11.578 -10.403 578 1HB ARG 71 2HB ARG 71 -1.588 -13.409 -9.161 579 2HB ARG 71 1HB ARG 71 -2.172 -13.817 -10.773 580 1HG ARG 71 2HG ARG 71 0.462 -13.676 -11.306 581 2HG ARG 71 1HG ARG 71 0.549 -14.137 -9.606 582 1HD ARG 71 2HD ARG 71 -1.302 -15.896 -10.339 583 2HD ARG 71 1HD ARG 71 -0.575 -15.657 -11.928 584 HE ARG 71 HE ARG 71 1.401 -16.158 -9.846 585 1HH1 ARG 71 1HH2 ARG 71 -0.817 -17.632 -12.113 586 2HH1 ARG 71 2HH2 ARG 71 0.078 -19.109 -12.184 587 1HH2 ARG 71 1HH1 ARG 71 2.527 -18.090 -9.965 588 2HH2 ARG 71 2HH1 ARG 71 1.950 -19.368 -10.983 589 H ASP 72 H ASP 72 -1.449 -9.801 -12.059 590 HA ASP 72 HA ASP 72 -1.688 -11.327 -14.623 591 1HB ASP 72 2HB ASP 72 -3.149 -8.771 -13.882 592 2HB ASP 72 1HB ASP 72 -3.317 -9.666 -15.393 593 H THR 73 H THR 73 -1.735 -8.943 -16.258 594 HA THR 73 HA THR 73 1.000 -8.485 -16.707 595 HB THR 73 HB THR 73 -0.729 -7.914 -18.357 596 HG1 THR 73 1HG THR 73 1.099 -6.807 -18.726 597 1HG2 THR 73 1HG2 THR 73 -2.271 -6.138 -18.074 598 2HG2 THR 73 2HG2 THR 73 -1.390 -5.484 -16.694 599 3HG2 THR 73 3HG2 THR 73 -2.297 -6.988 -16.528 600 H ALA 74 H ALA 74 -1.268 -6.550 -14.752 601 HA ALA 74 HA ALA 74 0.685 -5.730 -12.864 602 1HB ALA 74 1HB ALA 74 0.503 -3.188 -13.739 603 2HB ALA 74 2HB ALA 74 0.428 -4.019 -15.293 604 3HB ALA 74 3HB ALA 74 1.815 -4.259 -14.230 605 H ASP 75 H ASP 75 -1.523 -6.545 -12.023 606 HA ASP 75 HA ASP 75 -3.762 -4.690 -12.114 607 1HB ASP 75 2HB ASP 75 -3.171 -7.066 -10.321 608 2HB ASP 75 1HB ASP 75 -4.683 -6.159 -10.289 609 H MET 76 H MET 76 -1.031 -5.269 -9.987 610 HA MET 76 HA MET 76 -2.052 -3.192 -8.127 611 1HB MET 76 2HB MET 76 -0.423 -5.587 -7.828 612 2HB MET 76 1HB MET 76 0.370 -4.182 -7.118 613 1HG MET 76 2HG MET 76 -1.070 -5.253 -5.449 614 2HG MET 76 1HG MET 76 -1.711 -3.665 -5.859 615 1HE MET 76 1HE MET 76 -5.109 -4.447 -5.859 616 2HE MET 76 2HE MET 76 -4.378 -3.435 -7.102 617 3HE MET 76 3HE MET 76 -3.689 -3.461 -5.479 618 H ILE 77 H ILE 77 0.721 -3.966 -10.215 619 HA ILE 77 HA ILE 77 2.331 -1.721 -9.562 620 HB ILE 77 HB ILE 77 2.002 -3.170 -12.211 621 1HG1 ILE 77 2HG1 ILE 77 4.455 -3.818 -11.100 622 2HG1 ILE 77 1HG1 ILE 77 3.421 -3.698 -9.678 623 1HG2 ILE 77 1HG2 ILE 77 3.750 -0.914 -11.357 624 2HG2 ILE 77 2HG2 ILE 77 3.150 -1.324 -12.964 625 3HG2 ILE 77 3HG2 ILE 77 4.521 -2.201 -12.282 626 1HD1 ILE 77 1HD1 ILE 77 2.417 -5.200 -12.068 627 2HD1 ILE 77 2HD1 ILE 77 2.044 -5.441 -10.361 628 3HD1 ILE 77 3HD1 ILE 77 3.594 -5.973 -11.011 629 H GLN 78 H GLN 78 -0.692 -1.888 -11.292 630 HA GLN 78 HA GLN 78 -0.430 0.604 -12.724 631 1HB GLN 78 2HB GLN 78 -2.429 -1.452 -12.360 632 2HB GLN 78 1HB GLN 78 -3.171 0.136 -12.178 633 1HG GLN 78 2HG GLN 78 -3.255 -0.488 -14.525 634 2HG GLN 78 1HG GLN 78 -2.093 0.824 -14.338 635 1HE2 GLN 78 1HE2 GLN 78 0.201 0.309 -14.583 636 2HE2 GLN 78 2HE2 GLN 78 0.707 -1.165 -15.255 637 H LEU 79 H LEU 79 -2.915 0.123 -10.182 638 HA LEU 79 HA LEU 79 -2.960 2.858 -9.494 639 1HB LEU 79 2HB LEU 79 -4.258 2.336 -7.546 640 2HB LEU 79 1HB LEU 79 -4.752 1.251 -8.828 641 HG LEU 79 HG LEU 79 -4.651 0.008 -6.768 642 1HD1 LEU 79 1HD1 LEU 79 -2.203 -0.676 -8.383 643 2HD1 LEU 79 2HD1 LEU 79 -3.848 -1.142 -8.794 644 3HD1 LEU 79 3HD1 LEU 79 -3.097 -1.757 -7.323 645 1HD2 LEU 79 1HD2 LEU 79 -1.755 0.251 -6.298 646 2HD2 LEU 79 2HD2 LEU 79 -3.091 0.216 -5.148 647 3HD2 LEU 79 3HD2 LEU 79 -2.677 1.717 -5.972 648 H ILE 80 H ILE 80 -0.637 0.461 -8.565 649 HA ILE 80 HA ILE 80 0.372 1.808 -6.226 650 HB ILE 80 HB ILE 80 1.555 -0.205 -8.157 651 1HG1 ILE 80 2HG1 ILE 80 -0.175 -0.945 -6.521 652 2HG1 ILE 80 1HG1 ILE 80 1.383 -1.713 -6.233 653 1HG2 ILE 80 1HG2 ILE 80 3.647 0.321 -7.501 654 2HG2 ILE 80 2HG2 ILE 80 3.198 -0.133 -5.859 655 3HG2 ILE 80 3HG2 ILE 80 3.043 1.540 -6.380 656 1HD1 ILE 80 1HD1 ILE 80 -0.023 0.404 -4.639 657 2HD1 ILE 80 2HD1 ILE 80 1.736 0.304 -4.574 658 3HD1 ILE 80 3HD1 ILE 80 0.756 -1.073 -4.082 659 H LYS 81 H LYS 81 0.982 2.076 -9.716 660 HA LYS 81 HA LYS 81 3.089 4.089 -9.336 661 1HB LYS 81 2HB LYS 81 2.045 2.501 -11.522 662 2HB LYS 81 1HB LYS 81 2.102 4.196 -11.999 663 1HG LYS 81 2HG LYS 81 4.286 3.776 -12.460 664 2HG LYS 81 1HG LYS 81 4.515 3.912 -10.716 665 1HD LYS 81 2HD LYS 81 5.499 1.838 -11.229 666 2HD LYS 81 1HD LYS 81 3.891 1.393 -10.656 667 1HE LYS 81 2HE LYS 81 3.227 0.655 -12.704 668 2HE LYS 81 1HE LYS 81 4.040 1.970 -13.551 669 1HZ LYS 81 1HZ LYS 81 6.041 0.850 -13.558 670 2HZ LYS 81 2HZ LYS 81 4.928 -0.410 -13.813 671 3HZ LYS 81 3HZ LYS 81 5.609 -0.172 -12.275 672 H GLU 82 H GLU 82 -0.369 4.006 -9.984 673 HA GLU 82 HA GLU 82 -0.736 6.703 -10.820 674 1HB GLU 82 2HB GLU 82 -2.398 4.614 -10.582 675 2HB GLU 82 1HB GLU 82 -2.804 5.443 -9.078 676 1HG GLU 82 2HG GLU 82 -3.711 7.256 -10.158 677 2HG GLU 82 1HG GLU 82 -2.608 7.124 -11.527 678 H PHE 83 H PHE 83 -1.248 5.338 -7.539 679 HA PHE 83 HA PHE 83 -1.551 7.865 -6.245 680 1HB PHE 83 2HB PHE 83 -0.512 5.255 -5.105 681 2HB PHE 83 1HB PHE 83 -1.085 6.621 -4.157 682 HD1 PHE 83 1HD PHE 83 -2.032 3.515 -5.377 683 HD2 PHE 83 2HD PHE 83 -3.489 7.543 -5.075 684 HE1 PHE 83 1HE PHE 83 -4.363 2.686 -5.575 685 HE2 PHE 83 2HE PHE 83 -5.816 6.711 -5.269 686 HZ PHE 83 HZ PHE 83 -6.253 4.288 -5.522 687 H ASP 84 H ASP 84 1.304 5.977 -7.086 688 HA ASP 84 HA ASP 84 3.208 7.406 -5.495 689 1HB ASP 84 2HB ASP 84 3.433 5.215 -6.970 690 2HB ASP 84 1HB ASP 84 3.944 6.359 -8.207 691 H ALA 85 H ALA 85 1.797 8.000 -8.670 692 HA ALA 85 HA ALA 85 3.538 10.265 -9.261 693 1HB ALA 85 1HB ALA 85 2.457 10.352 -11.301 694 2HB ALA 85 2HB ALA 85 0.891 9.931 -10.608 695 3HB ALA 85 3HB ALA 85 2.109 8.681 -10.861 696 H GLN 86 H GLN 86 0.573 9.810 -7.486 697 HA GLN 86 HA GLN 86 -0.163 12.647 -7.661 698 1HB GLN 86 2HB GLN 86 -1.443 10.159 -6.844 699 2HB GLN 86 1HB GLN 86 -1.715 11.438 -5.666 700 1HG GLN 86 2HG GLN 86 -3.464 11.844 -7.135 701 2HG GLN 86 1HG GLN 86 -2.218 12.879 -7.834 702 1HE2 GLN 86 1HE2 GLN 86 -4.369 10.324 -8.546 703 2HE2 GLN 86 2HE2 GLN 86 -3.679 9.840 -10.020 704 H GLY 87 H GLY 87 2.346 11.386 -6.152 705 1HA GLY 87 2HA GLY 87 3.618 12.147 -4.330 706 2HA GLY 87 1HA GLY 87 2.389 13.384 -4.061 707 H VAL 88 H VAL 88 1.625 9.966 -4.217 708 HA VAL 88 HA VAL 88 0.805 10.089 -1.349 709 HB VAL 88 HB VAL 88 -0.036 8.137 -3.507 710 1HG1 VAL 88 1HG1 VAL 88 -1.703 7.402 -1.948 711 2HG1 VAL 88 2HG1 VAL 88 -1.335 8.720 -0.837 712 3HG1 VAL 88 3HG1 VAL 88 -0.175 7.411 -1.070 713 1HG2 VAL 88 1HG2 VAL 88 -0.994 10.153 -4.206 714 2HG2 VAL 88 2HG2 VAL 88 -1.153 10.761 -2.559 715 3HG2 VAL 88 3HG2 VAL 88 -2.248 9.508 -3.146 716 H SER 89 H SER 89 1.396 8.358 0.056 717 HA SER 89 HA SER 89 3.717 6.757 -0.931 718 1HB SER 89 2HB SER 89 3.133 8.114 1.664 719 2HB SER 89 1HB SER 89 4.068 6.624 1.706 720 HG SER 89 HG SER 89 5.673 7.595 0.706 721 H ILE 90 H ILE 90 2.791 4.803 -1.497 722 HA ILE 90 HA ILE 90 0.680 3.583 0.114 723 HB ILE 90 HB ILE 90 2.345 2.399 -2.132 724 1HG1 ILE 90 2HG1 ILE 90 -0.371 3.762 -2.152 725 2HG1 ILE 90 1HG1 ILE 90 1.113 4.413 -2.843 726 1HG2 ILE 90 1HG2 ILE 90 0.494 0.778 -2.304 727 2HG2 ILE 90 2HG2 ILE 90 -0.318 1.550 -0.941 728 3HG2 ILE 90 3HG2 ILE 90 1.218 0.719 -0.696 729 1HD1 ILE 90 1HD1 ILE 90 -0.573 2.119 -3.801 730 2HD1 ILE 90 2HD1 ILE 90 1.150 2.152 -4.179 731 3HD1 ILE 90 3HD1 ILE 90 0.106 3.458 -4.721 732 H ARG 91 H ARG 91 1.348 2.973 2.116 733 HA ARG 91 HA ARG 91 4.000 1.743 2.510 734 1HB ARG 91 2HB ARG 91 1.831 2.136 4.583 735 2HB ARG 91 1HB ARG 91 3.558 1.929 4.859 736 1HG ARG 91 2HG ARG 91 3.543 4.113 3.213 737 2HG ARG 91 1HG ARG 91 2.043 4.351 4.107 738 1HD ARG 91 2HD ARG 91 3.128 4.538 6.154 739 2HD ARG 91 1HD ARG 91 4.521 3.596 5.617 740 HE ARG 91 HE ARG 91 4.629 5.865 4.043 741 1HH1 ARG 91 1HH2 ARG 91 4.434 5.286 7.486 742 2HH1 ARG 91 2HH2 ARG 91 5.294 6.733 7.880 743 1HH2 ARG 91 1HH1 ARG 91 5.739 7.728 4.599 744 2HH2 ARG 91 2HH1 ARG 91 6.026 8.103 6.265 745 H PHE 92 H PHE 92 4.330 -0.431 2.846 746 HA PHE 92 HA PHE 92 1.962 -2.205 2.572 747 1HB PHE 92 2HB PHE 92 4.839 -2.411 1.916 748 2HB PHE 92 1HB PHE 92 4.140 -3.877 2.601 749 HD1 PHE 92 1HD PHE 92 3.272 -5.396 1.067 750 HD2 PHE 92 2HD PHE 92 3.125 -1.199 0.159 751 HE1 PHE 92 1HE PHE 92 2.203 -5.903 -1.111 752 HE2 PHE 92 2HE PHE 92 2.055 -1.708 -2.019 753 HZ PHE 92 HZ PHE 92 1.593 -4.060 -2.653 754 H ILE 93 H ILE 93 1.276 -3.468 4.251 755 HA ILE 93 HA ILE 93 1.772 -2.835 6.906 756 HB ILE 93 HB ILE 93 -0.124 -4.209 6.182 757 1HG1 ILE 93 2HG1 ILE 93 1.668 -5.592 8.212 758 2HG1 ILE 93 1HG1 ILE 93 0.536 -4.287 8.555 759 1HG2 ILE 93 1HG2 ILE 93 1.742 -6.573 6.003 760 2HG2 ILE 93 2HG2 ILE 93 1.406 -5.573 4.590 761 3HG2 ILE 93 3HG2 ILE 93 0.092 -6.424 5.399 762 1HD1 ILE 93 1HD1 ILE 93 -0.114 -7.097 7.644 763 2HD1 ILE 93 2HD1 ILE 93 -1.301 -5.793 7.657 764 3HD1 ILE 93 3HD1 ILE 93 -0.562 -6.330 9.167 765 H ASP 94 H ASP 94 3.421 -5.475 5.098 766 HA ASP 94 HA ASP 94 5.359 -5.576 7.371 767 1HB ASP 94 2HB ASP 94 4.122 -7.709 5.686 768 2HB ASP 94 1HB ASP 94 5.768 -7.960 6.270 769 H ASP 95 H ASP 95 5.750 -3.709 5.247 770 HA ASP 95 HA ASP 95 8.401 -4.536 4.373 771 1HB ASP 95 2HB ASP 95 6.083 -4.691 2.507 772 2HB ASP 95 1HB ASP 95 7.576 -4.001 1.871 773 H GLY 96 H GLY 96 5.726 -2.278 3.670 774 1HA GLY 96 2HA GLY 96 5.882 0.111 4.097 775 2HA GLY 96 1HA GLY 96 7.642 -0.023 4.012 776 H ILE 97 H ILE 97 7.669 -1.655 1.624 777 HA ILE 97 HA ILE 97 6.316 -0.153 -0.491 778 HB ILE 97 HB ILE 97 8.500 0.374 -1.641 779 1HG1 ILE 97 2HG1 ILE 97 9.992 0.383 0.901 780 2HG1 ILE 97 1HG1 ILE 97 9.580 -1.239 0.343 781 1HG2 ILE 97 1HG2 ILE 97 8.837 2.430 -0.451 782 2HG2 ILE 97 2HG2 ILE 97 8.237 1.730 1.053 783 3HG2 ILE 97 3HG2 ILE 97 7.127 2.028 -0.286 784 1HD1 ILE 97 1HD1 ILE 97 10.997 0.889 -1.289 785 2HD1 ILE 97 2HD1 ILE 97 10.556 -0.717 -1.872 786 3HD1 ILE 97 3HD1 ILE 97 11.746 -0.544 -0.582 787 H SER 98 H SER 98 7.526 -1.078 -2.700 788 HA SER 98 HA SER 98 8.596 -3.728 -2.582 789 1HB SER 98 2HB SER 98 5.637 -3.476 -2.547 790 2HB SER 98 1HB SER 98 6.301 -4.648 -3.681 791 HG SER 98 HG SER 98 6.014 -5.644 -1.698 792 H THR 99 H THR 99 5.977 -2.664 -4.750 793 HA THR 99 HA THR 99 7.824 -2.917 -7.032 794 HB THR 99 HB THR 99 5.565 -3.848 -7.250 795 HG1 THR 99 1HG THR 99 5.575 -3.223 -9.239 796 1HG2 THR 99 1HG2 THR 99 3.986 -2.728 -6.059 797 2HG2 THR 99 2HG2 THR 99 3.829 -1.745 -7.517 798 3HG2 THR 99 3HG2 THR 99 4.845 -1.193 -6.185 799 H ASP 100 H ASP 100 8.842 -0.915 -5.650 800 HA ASP 100 HA ASP 100 7.673 1.682 -6.170 801 1HB ASP 100 2HB ASP 100 9.319 1.163 -4.323 802 2HB ASP 100 1HB ASP 100 10.573 1.040 -5.558 803 H GLY 101 H GLY 101 7.317 1.000 -8.547 804 1HA GLY 101 2HA GLY 101 7.817 1.442 -10.794 805 2HA GLY 101 1HA GLY 101 9.137 2.464 -10.220 806 H GLU 102 H GLU 102 8.466 -1.039 -9.976 807 HA GLU 102 HA GLU 102 11.204 -1.816 -10.179 808 1HB GLU 102 2HB GLU 102 10.243 -4.084 -10.773 809 2HB GLU 102 1HB GLU 102 9.624 -3.386 -9.278 810 1HG GLU 102 2HG GLU 102 7.513 -3.291 -10.081 811 2HG GLU 102 1HG GLU 102 8.042 -2.559 -11.594 812 H MET 103 H MET 103 12.479 -1.477 -11.920 813 HA MET 103 HA MET 103 11.697 -2.427 -14.557 814 1HB MET 103 2HB MET 103 11.645 0.492 -13.899 815 2HB MET 103 1HB MET 103 12.274 0.007 -15.475 816 1HG MET 103 2HG MET 103 10.078 -1.505 -15.481 817 2HG MET 103 1HG MET 103 9.508 -0.258 -14.375 818 1HE MET 103 1HE MET 103 7.935 1.980 -16.707 819 2HE MET 103 2HE MET 103 8.649 2.041 -15.098 820 3HE MET 103 3HE MET 103 7.719 0.627 -15.588 821 H GLY 104 H GLY 104 13.858 -2.763 -12.554 822 1HA GLY 104 2HA GLY 104 16.112 -2.661 -14.391 823 2HA GLY 104 1HA GLY 104 16.271 -1.505 -13.068 824 H LYS 105 H LYS 105 15.409 -2.737 -10.874 825 HA LYS 105 HA LYS 105 16.135 -5.514 -10.619 826 1HB LYS 105 2HB LYS 105 18.203 -5.151 -9.248 827 2HB LYS 105 1HB LYS 105 18.407 -4.709 -10.944 828 1HG LYS 105 2HG LYS 105 18.250 -2.388 -10.473 829 2HG LYS 105 1HG LYS 105 17.595 -2.679 -8.860 830 1HD LYS 105 2HD LYS 105 19.767 -2.304 -8.234 831 2HD LYS 105 1HD LYS 105 19.935 -4.013 -8.638 832 1HE LYS 105 2HE LYS 105 20.220 -2.065 -10.873 833 2HE LYS 105 1HE LYS 105 21.533 -2.131 -9.698 834 1HZ LYS 105 1HZ LYS 105 21.519 -4.591 -10.026 835 2HZ LYS 105 2HZ LYS 105 22.016 -3.698 -11.385 836 3HZ LYS 105 3HZ LYS 105 20.454 -4.361 -11.325 Start of MODEL 18 1 1H MET 1 1HT MET 1 -1.918 15.539 5.250 2 HA MET 1 HA MET 1 -2.392 13.317 4.093 3 1HB MET 1 2HB MET 1 -0.358 13.898 5.440 4 2HB MET 1 1HB MET 1 -1.202 13.333 6.883 5 1HG MET 1 2HG MET 1 -1.464 11.101 5.848 6 2HG MET 1 1HG MET 1 -0.594 11.667 4.423 7 1HE MET 1 1HE MET 1 0.344 9.064 6.360 8 2HE MET 1 2HE MET 1 -0.637 9.977 7.505 9 3HE MET 1 3HE MET 1 1.043 9.613 7.889 10 H ARG 2 H ARG 2 -3.637 11.488 4.183 11 HA ARG 2 HA ARG 2 -5.332 11.104 6.620 12 1HB ARG 2 2HB ARG 2 -5.988 10.998 3.702 13 2HB ARG 2 1HB ARG 2 -6.832 9.891 4.784 14 1HG ARG 2 2HG ARG 2 -8.227 11.758 4.859 15 2HG ARG 2 1HG ARG 2 -7.184 12.047 6.251 16 1HD ARG 2 2HD ARG 2 -5.689 13.407 4.732 17 2HD ARG 2 1HD ARG 2 -6.930 13.261 3.488 18 HE ARG 2 HE ARG 2 -7.046 14.988 5.825 19 1HH1 ARG 2 1HH2 ARG 2 -8.944 13.164 3.522 20 2HH1 ARG 2 2HH2 ARG 2 -10.345 14.155 3.741 21 1HH2 ARG 2 1HH1 ARG 2 -8.882 16.242 6.077 22 2HH2 ARG 2 2HH1 ARG 2 -10.312 15.877 5.171 23 H LEU 3 H LEU 3 -5.756 8.895 7.206 24 HA LEU 3 HA LEU 3 -3.610 7.041 6.328 25 1HB LEU 3 2HB LEU 3 -5.601 6.704 8.591 26 2HB LEU 3 1HB LEU 3 -4.133 5.767 8.320 27 HG LEU 3 HG LEU 3 -4.052 8.761 8.705 28 1HD1 LEU 3 1HD1 LEU 3 -5.154 7.523 10.651 29 2HD1 LEU 3 2HD1 LEU 3 -3.710 8.454 11.050 30 3HD1 LEU 3 3HD1 LEU 3 -3.611 6.701 10.875 31 1HD2 LEU 3 1HD2 LEU 3 -1.952 8.179 7.975 32 2HD2 LEU 3 2HD2 LEU 3 -2.120 6.505 8.505 33 3HD2 LEU 3 3HD2 LEU 3 -1.739 7.767 9.676 34 H PHE 4 H PHE 4 -4.636 6.573 4.250 35 HA PHE 4 HA PHE 4 -7.256 5.217 4.290 36 1HB PHE 4 2HB PHE 4 -5.313 6.006 2.119 37 2HB PHE 4 1HB PHE 4 -6.671 4.934 1.782 38 HD1 PHE 4 1HD PHE 4 -5.625 8.344 2.250 39 HD2 PHE 4 2HD PHE 4 -9.026 5.728 2.426 40 HE1 PHE 4 1HE PHE 4 -7.138 10.303 2.118 41 HE2 PHE 4 2HE PHE 4 -10.539 7.688 2.296 42 HZ PHE 4 HZ PHE 4 -9.596 9.976 2.141 43 H GLY 5 H GLY 5 -7.542 3.006 4.028 44 1HA GLY 5 2HA GLY 5 -5.065 1.344 3.787 45 2HA GLY 5 1HA GLY 5 -6.310 0.958 4.975 46 H TYR 6 H TYR 6 -5.354 -0.661 2.688 47 HA TYR 6 HA TYR 6 -7.960 -0.928 1.238 48 1HB TYR 6 2HB TYR 6 -6.159 -0.137 -0.266 49 2HB TYR 6 1HB TYR 6 -5.170 -1.523 0.190 50 HD1 TYR 6 1HD TYR 6 -8.791 -1.092 -0.737 51 HD2 TYR 6 2HD TYR 6 -5.070 -3.091 -1.517 52 HE1 TYR 6 1HE TYR 6 -9.891 -2.470 -2.483 53 HE2 TYR 6 2HE TYR 6 -6.170 -4.467 -3.262 54 HH TYR 6 HH TYR 6 -8.181 -4.277 -4.751 55 H ALA 7 H ALA 7 -8.947 -2.842 1.631 56 HA ALA 7 HA ALA 7 -7.259 -5.191 2.375 57 1HB ALA 7 1HB ALA 7 -9.425 -3.885 3.916 58 2HB ALA 7 2HB ALA 7 -8.081 -4.877 4.481 59 3HB ALA 7 3HB ALA 7 -9.526 -5.643 3.822 60 H ARG 8 H ARG 8 -7.887 -7.078 1.338 61 HA ARG 8 HA ARG 8 -10.463 -7.008 -0.193 62 1HB ARG 8 2HB ARG 8 -8.468 -6.846 -1.675 63 2HB ARG 8 1HB ARG 8 -7.863 -8.358 -0.998 64 1HG ARG 8 2HG ARG 8 -9.005 -9.383 -2.663 65 2HG ARG 8 1HG ARG 8 -10.455 -9.014 -1.732 66 1HD ARG 8 2HD ARG 8 -11.111 -7.913 -3.614 67 2HD ARG 8 1HD ARG 8 -10.040 -6.639 -3.032 68 HE ARG 8 HE ARG 8 -8.630 -7.116 -4.843 69 1HH1 ARG 8 1HH2 ARG 8 -10.617 -9.906 -4.141 70 2HH1 ARG 8 2HH2 ARG 8 -10.009 -10.804 -5.488 71 1HH2 ARG 8 1HH1 ARG 8 -7.870 -8.312 -6.573 72 2HH2 ARG 8 2HH1 ARG 8 -8.469 -9.913 -6.851 73 H VAL 9 H VAL 9 -11.763 -8.291 1.098 74 HA VAL 9 HA VAL 9 -11.008 -10.375 2.807 75 HB VAL 9 HB VAL 9 -13.318 -11.211 2.605 76 1HG1 VAL 9 1HG1 VAL 9 -13.532 -8.225 2.444 77 2HG1 VAL 9 2HG1 VAL 9 -12.580 -8.953 3.740 78 3HG1 VAL 9 3HG1 VAL 9 -14.293 -9.341 3.579 79 1HG2 VAL 9 1HG2 VAL 9 -14.192 -11.116 0.512 80 2HG2 VAL 9 2HG2 VAL 9 -13.116 -9.807 0.027 81 3HG2 VAL 9 3HG2 VAL 9 -14.601 -9.447 0.906 82 H SER 10 H SER 10 -11.119 -12.675 2.605 83 HA SER 10 HA SER 10 -10.842 -13.735 -0.169 84 1HB SER 10 2HB SER 10 -8.615 -13.385 1.098 85 2HB SER 10 1HB SER 10 -9.138 -14.721 2.118 86 HG SER 10 HG SER 10 -8.756 -16.058 0.536 87 H THR 11 H THR 11 -11.342 -14.494 3.279 88 HA THR 11 HA THR 11 -12.633 -17.046 2.581 89 HB THR 11 HB THR 11 -11.225 -17.046 4.565 90 HG1 THR 11 1HG THR 11 -12.637 -18.249 5.513 91 1HG2 THR 11 1HG2 THR 11 -12.715 -14.545 5.104 92 2HG2 THR 11 2HG2 THR 11 -11.060 -14.984 5.523 93 3HG2 THR 11 3HG2 THR 11 -12.400 -15.559 6.512 94 H SER 12 H SER 12 -14.830 -17.506 3.527 95 HA SER 12 HA SER 12 -16.567 -15.092 3.234 96 1HB SER 12 2HB SER 12 -16.877 -17.969 2.506 97 2HB SER 12 1HB SER 12 -18.324 -17.101 3.010 98 HG SER 12 HG SER 12 -18.310 -16.168 1.138 99 H GLN 13 H GLN 13 -16.452 -14.428 5.434 100 HA GLN 13 HA GLN 13 -18.385 -15.589 7.195 101 1HB GLN 13 2HB GLN 13 -16.420 -17.264 7.314 102 2HB GLN 13 1HB GLN 13 -15.561 -15.993 8.187 103 1HG GLN 13 2HG GLN 13 -17.709 -15.881 9.660 104 2HG GLN 13 1HG GLN 13 -18.055 -17.476 8.991 105 1HE2 GLN 13 1HE2 GLN 13 -16.810 -19.259 9.756 106 2HE2 GLN 13 2HE2 GLN 13 -15.605 -19.110 10.942 107 H GLN 14 H GLN 14 -15.202 -13.961 7.421 108 HA GLN 14 HA GLN 14 -16.406 -11.429 8.158 109 1HB GLN 14 2HB GLN 14 -15.414 -11.355 10.462 110 2HB GLN 14 1HB GLN 14 -16.723 -12.526 10.306 111 1HG GLN 14 2HG GLN 14 -15.219 -14.363 10.218 112 2HG GLN 14 1HG GLN 14 -13.834 -13.314 9.917 113 1HE2 GLN 14 1HE2 GLN 14 -16.422 -13.614 12.430 114 2HE2 GLN 14 2HE2 GLN 14 -15.371 -13.375 13.742 115 H SER 15 H SER 15 -14.420 -12.529 6.282 116 HA SER 15 HA SER 15 -11.746 -11.965 7.030 117 1HB SER 15 2HB SER 15 -13.127 -12.648 4.650 118 2HB SER 15 1HB SER 15 -12.197 -11.200 4.283 119 HG SER 15 HG SER 15 -10.384 -12.266 4.614 120 H LEU 16 H LEU 16 -14.177 -9.812 5.539 121 HA LEU 16 HA LEU 16 -12.630 -7.484 5.253 122 1HB LEU 16 2HB LEU 16 -14.884 -7.565 4.398 123 2HB LEU 16 1HB LEU 16 -15.549 -7.826 6.005 124 HG LEU 16 HG LEU 16 -13.911 -5.394 5.830 125 1HD1 LEU 16 1HD1 LEU 16 -15.111 -5.679 3.509 126 2HD1 LEU 16 2HD1 LEU 16 -15.197 -4.126 4.342 127 3HD1 LEU 16 3HD1 LEU 16 -16.561 -5.243 4.415 128 1HD2 LEU 16 1HD2 LEU 16 -16.084 -4.470 6.828 129 2HD2 LEU 16 2HD2 LEU 16 -15.282 -5.739 7.753 130 3HD2 LEU 16 3HD2 LEU 16 -16.692 -6.125 6.768 131 H ASP 17 H ASP 17 -14.333 -8.661 8.150 132 HA ASP 17 HA ASP 17 -13.662 -6.427 9.827 133 1HB ASP 17 2HB ASP 17 -15.254 -8.629 10.099 134 2HB ASP 17 1HB ASP 17 -13.884 -9.088 11.109 135 H ILE 18 H ILE 18 -12.121 -9.587 9.291 136 HA ILE 18 HA ILE 18 -9.981 -9.232 11.155 137 HB ILE 18 HB ILE 18 -9.982 -10.861 8.591 138 1HG1 ILE 18 2HG1 ILE 18 -10.516 -12.068 11.267 139 2HG1 ILE 18 1HG1 ILE 18 -11.824 -11.138 10.536 140 1HG2 ILE 18 1HG2 ILE 18 -7.778 -10.936 9.319 141 2HG2 ILE 18 2HG2 ILE 18 -8.462 -12.275 10.240 142 3HG2 ILE 18 3HG2 ILE 18 -8.220 -10.707 11.011 143 1HD1 ILE 18 1HD1 ILE 18 -12.145 -12.657 8.858 144 2HD1 ILE 18 2HD1 ILE 18 -11.391 -13.763 10.004 145 3HD1 ILE 18 3HD1 ILE 18 -10.427 -13.026 8.725 146 H GLN 19 H GLN 19 -10.379 -8.274 7.766 147 HA GLN 19 HA GLN 19 -7.609 -7.443 7.461 148 1HB GLN 19 2HB GLN 19 -9.839 -6.356 5.761 149 2HB GLN 19 1HB GLN 19 -8.172 -6.688 5.310 150 1HG GLN 19 2HG GLN 19 -9.309 -9.156 6.188 151 2HG GLN 19 1HG GLN 19 -10.467 -8.410 5.089 152 1HE2 GLN 19 1HE2 GLN 19 -6.881 -8.140 4.986 153 2HE2 GLN 19 2HE2 GLN 19 -6.727 -8.849 3.453 154 H VAL 20 H VAL 20 -10.675 -5.635 7.956 155 HA VAL 20 HA VAL 20 -9.567 -3.037 8.035 156 HB VAL 20 HB VAL 20 -11.899 -4.207 9.584 157 1HG1 VAL 20 1HG1 VAL 20 -12.613 -1.896 10.003 158 2HG1 VAL 20 2HG1 VAL 20 -11.165 -1.287 9.203 159 3HG1 VAL 20 3HG1 VAL 20 -11.028 -2.174 10.721 160 1HG2 VAL 20 1HG2 VAL 20 -11.493 -2.912 6.924 161 2HG2 VAL 20 2HG2 VAL 20 -12.987 -2.544 7.787 162 3HG2 VAL 20 3HG2 VAL 20 -12.593 -4.212 7.380 163 H ARG 21 H ARG 21 -9.875 -5.418 10.677 164 HA ARG 21 HA ARG 21 -8.748 -3.826 12.758 165 1HB ARG 21 2HB ARG 21 -8.395 -6.818 12.405 166 2HB ARG 21 1HB ARG 21 -8.336 -5.915 13.916 167 1HG ARG 21 2HG ARG 21 -10.830 -5.466 12.435 168 2HG ARG 21 1HG ARG 21 -10.587 -7.159 12.857 169 1HD ARG 21 2HD ARG 21 -11.742 -6.161 14.705 170 2HD ARG 21 1HD ARG 21 -10.071 -6.379 15.222 171 HE ARG 21 HE ARG 21 -10.547 -3.759 14.044 172 1HH1 ARG 21 1HH2 ARG 21 -10.752 -5.663 16.971 173 2HH1 ARG 21 2HH2 ARG 21 -10.646 -4.278 17.998 174 1HH2 ARG 21 1HH1 ARG 21 -10.416 -1.995 15.411 175 2HH2 ARG 21 2HH1 ARG 21 -10.459 -2.222 17.129 176 H ALA 22 H ALA 22 -7.239 -5.950 10.345 177 HA ALA 22 HA ALA 22 -4.536 -5.612 11.279 178 1HB ALA 22 1HB ALA 22 -3.912 -6.787 9.356 179 2HB ALA 22 2HB ALA 22 -5.191 -6.065 8.381 180 3HB ALA 22 3HB ALA 22 -5.580 -7.322 9.557 181 H LEU 23 H LEU 23 -6.534 -3.946 8.878 182 HA LEU 23 HA LEU 23 -4.505 -2.165 7.912 183 1HB LEU 23 2HB LEU 23 -7.490 -2.290 7.830 184 2HB LEU 23 1HB LEU 23 -6.730 -0.745 7.459 185 HG LEU 23 HG LEU 23 -5.376 -1.815 5.697 186 1HD1 LEU 23 1HD1 LEU 23 -6.955 -4.338 6.240 187 2HD1 LEU 23 2HD1 LEU 23 -5.320 -4.082 6.849 188 3HD1 LEU 23 3HD1 LEU 23 -5.617 -4.127 5.113 189 1HD2 LEU 23 1HD2 LEU 23 -7.968 -1.136 5.521 190 2HD2 LEU 23 2HD2 LEU 23 -8.107 -2.846 5.117 191 3HD2 LEU 23 3HD2 LEU 23 -7.073 -1.793 4.152 192 H LYS 24 H LYS 24 -6.977 -1.838 10.472 193 HA LYS 24 HA LYS 24 -6.229 0.856 11.192 194 1HB LYS 24 2HB LYS 24 -7.492 -1.176 13.053 195 2HB LYS 24 1HB LYS 24 -7.652 0.579 13.103 196 1HG LYS 24 2HG LYS 24 -8.488 -0.317 10.507 197 2HG LYS 24 1HG LYS 24 -9.294 -1.312 11.714 198 1HD LYS 24 2HD LYS 24 -9.357 1.426 12.599 199 2HD LYS 24 1HD LYS 24 -9.925 1.358 10.933 200 1HE LYS 24 2HE LYS 24 -11.917 0.668 11.728 201 2HE LYS 24 1HE LYS 24 -11.141 -0.840 12.200 202 1HZ LYS 24 1HZ LYS 24 -12.008 -0.070 14.175 203 2HZ LYS 24 2HZ LYS 24 -11.669 1.558 13.826 204 3HZ LYS 24 3HZ LYS 24 -10.412 0.498 14.255 205 H ASP 25 H ASP 25 -5.361 -2.351 12.495 206 HA ASP 25 HA ASP 25 -3.665 -1.468 14.594 207 1HB ASP 25 2HB ASP 25 -4.486 -3.874 13.837 208 2HB ASP 25 1HB ASP 25 -2.959 -3.877 12.967 209 H ALA 26 H ALA 26 -3.183 -1.905 11.155 210 HA ALA 26 HA ALA 26 -0.344 -1.539 11.062 211 1HB ALA 26 1HB ALA 26 -1.093 -2.341 9.043 212 2HB ALA 26 2HB ALA 26 -1.190 -0.624 8.655 213 3HB ALA 26 3HB ALA 26 -2.635 -1.495 9.168 214 H GLY 27 H GLY 27 -3.099 0.652 11.145 215 1HA GLY 27 2HA GLY 27 -2.493 2.884 12.250 216 2HA GLY 27 1HA GLY 27 -1.218 2.978 11.031 217 H VAL 28 H VAL 28 -4.549 1.827 10.649 218 HA VAL 28 HA VAL 28 -4.971 3.991 8.636 219 HB VAL 28 HB VAL 28 -6.046 1.152 8.712 220 1HG1 VAL 28 1HG1 VAL 28 -6.416 3.237 6.545 221 2HG1 VAL 28 2HG1 VAL 28 -7.634 2.900 7.776 222 3HG1 VAL 28 3HG1 VAL 28 -7.160 1.641 6.637 223 1HG2 VAL 28 1HG2 VAL 28 -4.514 0.641 7.052 224 2HG2 VAL 28 2HG2 VAL 28 -3.585 1.814 7.985 225 3HG2 VAL 28 3HG2 VAL 28 -4.396 2.313 6.501 226 H LYS 29 H LYS 29 -6.915 5.133 8.762 227 HA LYS 29 HA LYS 29 -8.334 4.984 11.324 228 1HB LYS 29 2HB LYS 29 -7.931 6.937 9.234 229 2HB LYS 29 1HB LYS 29 -9.656 6.779 9.555 230 1HG LYS 29 2HG LYS 29 -9.477 7.631 11.670 231 2HG LYS 29 1HG LYS 29 -7.904 6.887 11.948 232 1HD LYS 29 2HD LYS 29 -6.749 8.662 11.062 233 2HD LYS 29 1HD LYS 29 -8.018 9.037 9.894 234 1HE LYS 29 2HE LYS 29 -9.415 9.966 11.703 235 2HE LYS 29 1HE LYS 29 -8.151 9.590 12.874 236 1HZ LYS 29 1HZ LYS 29 -8.133 11.589 10.710 237 2HZ LYS 29 2HZ LYS 29 -6.672 10.974 11.320 238 3HZ LYS 29 3HZ LYS 29 -7.749 11.788 12.350 239 H ALA 30 H ALA 30 -10.462 4.297 11.623 240 HA ALA 30 HA ALA 30 -11.523 2.283 9.908 241 1HB ALA 30 1HB ALA 30 -13.265 2.127 11.432 242 2HB ALA 30 2HB ALA 30 -13.348 3.872 11.673 243 3HB ALA 30 3HB ALA 30 -12.054 2.939 12.425 244 H ASN 31 H ASN 31 -12.263 5.750 10.184 245 HA ASN 31 HA ASN 31 -14.457 5.782 8.356 246 1HB ASN 31 2HB ASN 31 -13.113 7.642 9.940 247 2HB ASN 31 1HB ASN 31 -12.791 8.192 8.298 248 1HD2 ASN 31 1HD2 ASN 31 -15.580 6.969 10.238 249 2HD2 ASN 31 2HD2 ASN 31 -16.708 8.039 9.563 250 H ARG 32 H ARG 32 -11.002 5.598 7.891 251 HA ARG 32 HA ARG 32 -11.375 6.016 4.954 252 1HB ARG 32 2HB ARG 32 -8.667 5.861 6.261 253 2HB ARG 32 1HB ARG 32 -9.140 6.709 4.793 254 1HG ARG 32 2HG ARG 32 -10.643 8.105 6.481 255 2HG ARG 32 1HG ARG 32 -9.444 7.552 7.652 256 1HD ARG 32 2HD ARG 32 -7.752 8.784 6.710 257 2HD ARG 32 1HD ARG 32 -8.400 8.617 5.077 258 HE ARG 32 HE ARG 32 -8.925 10.807 6.870 259 1HH1 ARG 32 1HH2 ARG 32 -10.437 8.768 4.464 260 2HH1 ARG 32 2HH2 ARG 32 -11.600 9.971 4.029 261 1HH2 ARG 32 1HH1 ARG 32 -10.447 12.335 6.273 262 2HH2 ARG 32 2HH1 ARG 32 -11.607 11.970 5.040 263 H ILE 33 H ILE 33 -12.348 3.674 5.540 264 HA ILE 33 HA ILE 33 -10.145 1.689 5.139 265 HB ILE 33 HB ILE 33 -12.885 1.341 6.401 266 1HG1 ILE 33 2HG1 ILE 33 -11.195 2.461 7.817 267 2HG1 ILE 33 1HG1 ILE 33 -11.609 0.868 8.441 268 1HG2 ILE 33 1HG2 ILE 33 -10.705 -0.748 6.118 269 2HG2 ILE 33 2HG2 ILE 33 -12.103 -0.652 5.046 270 3HG2 ILE 33 3HG2 ILE 33 -12.329 -0.972 6.762 271 1HD1 ILE 33 1HD1 ILE 33 -9.204 1.092 8.542 272 2HD1 ILE 33 2HD1 ILE 33 -9.136 1.624 6.861 273 3HD1 ILE 33 3HD1 ILE 33 -9.581 -0.040 7.240 274 H PHE 34 H PHE 34 -10.061 1.210 3.000 275 HA PHE 34 HA PHE 34 -12.621 1.004 1.486 276 1HB PHE 34 2HB PHE 34 -9.770 1.536 0.676 277 2HB PHE 34 1HB PHE 34 -10.908 0.877 -0.499 278 HD1 PHE 34 1HD PHE 34 -9.836 3.832 1.294 279 HD2 PHE 34 2HD PHE 34 -13.075 2.120 -0.947 280 HE1 PHE 34 1HE PHE 34 -10.790 6.095 0.945 281 HE2 PHE 34 2HE PHE 34 -14.028 4.382 -1.297 282 HZ PHE 34 HZ PHE 34 -12.886 6.368 -0.351 283 H THR 35 H THR 35 -13.290 -1.021 2.025 284 HA THR 35 HA THR 35 -11.379 -3.263 1.579 285 HB THR 35 HB THR 35 -13.837 -4.086 2.870 286 HG1 THR 35 1HG THR 35 -14.039 -2.007 3.619 287 1HG2 THR 35 1HG2 THR 35 -12.380 -5.242 4.170 288 2HG2 THR 35 2HG2 THR 35 -11.341 -3.840 4.424 289 3HG2 THR 35 3HG2 THR 35 -11.218 -4.771 2.931 290 H ASP 36 H ASP 36 -11.714 -4.548 -0.141 291 HA ASP 36 HA ASP 36 -14.140 -4.191 -1.791 292 1HB ASP 36 2HB ASP 36 -11.551 -5.719 -2.139 293 2HB ASP 36 1HB ASP 36 -12.892 -5.879 -3.272 294 H LYS 37 H LYS 37 -15.874 -5.308 -0.923 295 HA LYS 37 HA LYS 37 -15.580 -7.763 0.565 296 1HB LYS 37 2HB LYS 37 -17.579 -5.904 0.294 297 2HB LYS 37 1HB LYS 37 -18.225 -7.251 -0.642 298 1HG LYS 37 2HG LYS 37 -18.957 -7.596 1.605 299 2HG LYS 37 1HG LYS 37 -17.637 -8.736 1.344 300 1HD LYS 37 2HD LYS 37 -16.071 -7.281 2.474 301 2HD LYS 37 1HD LYS 37 -17.274 -5.996 2.585 302 1HE LYS 37 2HE LYS 37 -17.387 -8.697 3.940 303 2HE LYS 37 1HE LYS 37 -17.149 -7.135 4.722 304 1HZ LYS 37 1HZ LYS 37 -19.400 -7.534 4.990 305 2HZ LYS 37 2HZ LYS 37 -19.578 -8.210 3.442 306 3HZ LYS 37 3HZ LYS 37 -19.364 -6.535 3.619 307 H ALA 38 H ALA 38 -14.198 -8.750 -1.226 308 HA ALA 38 HA ALA 38 -15.096 -9.567 -3.746 309 1HB ALA 38 1HB ALA 38 -12.813 -9.956 -2.558 310 2HB ALA 38 2HB ALA 38 -13.374 -11.170 -3.708 311 3HB ALA 38 3HB ALA 38 -13.547 -11.450 -1.976 312 H SER 39 H SER 39 -16.049 -10.786 -0.604 313 HA SER 39 HA SER 39 -17.250 -13.241 -1.578 314 1HB SER 39 2HB SER 39 -17.432 -11.675 0.994 315 2HB SER 39 1HB SER 39 -18.477 -13.064 0.705 316 HG SER 39 HG SER 39 -15.805 -12.948 1.282 317 H GLY 40 H GLY 40 -18.275 -11.862 -3.428 318 1HA GLY 40 2HA GLY 40 -21.057 -11.199 -2.592 319 2HA GLY 40 1HA GLY 40 -20.182 -10.106 -3.664 320 H SER 41 H SER 41 -20.740 -10.384 -5.754 321 HA SER 41 HA SER 41 -21.824 -13.001 -6.634 322 1HB SER 41 2HB SER 41 -21.930 -10.194 -7.657 323 2HB SER 41 1HB SER 41 -22.076 -11.502 -8.828 324 HG SER 41 HG SER 41 -24.049 -10.646 -7.663 325 H SER 42 H SER 42 -19.795 -10.639 -8.383 326 HA SER 42 HA SER 42 -18.121 -12.931 -9.308 327 1HB SER 42 2HB SER 42 -18.882 -10.292 -10.507 328 2HB SER 42 1HB SER 42 -17.349 -11.024 -10.975 329 HG SER 42 HG SER 42 -19.902 -11.718 -11.631 330 H SER 43 H SER 43 -17.865 -9.548 -8.183 331 HA SER 43 HA SER 43 -15.598 -10.097 -6.509 332 1HB SER 43 2HB SER 43 -13.890 -8.836 -7.818 333 2HB SER 43 1HB SER 43 -14.394 -10.320 -8.622 334 HG SER 43 HG SER 43 -14.346 -8.108 -9.773 335 H ASP 44 H ASP 44 -14.706 -8.037 -5.586 336 HA ASP 44 HA ASP 44 -16.703 -5.815 -5.800 337 1HB ASP 44 2HB ASP 44 -15.483 -7.177 -3.460 338 2HB ASP 44 1HB ASP 44 -15.626 -5.424 -3.347 339 H ARG 45 H ARG 45 -14.501 -5.901 -7.513 340 HA ARG 45 HA ARG 45 -12.232 -4.449 -6.475 341 1HB ARG 45 2HB ARG 45 -13.285 -4.897 -9.281 342 2HB ARG 45 1HB ARG 45 -11.813 -3.981 -8.954 343 1HG ARG 45 2HG ARG 45 -10.734 -5.875 -7.980 344 2HG ARG 45 1HG ARG 45 -12.244 -6.783 -7.904 345 1HD ARG 45 2HD ARG 45 -12.329 -6.624 -10.443 346 2HD ARG 45 1HD ARG 45 -10.675 -6.018 -10.375 347 HE ARG 45 HE ARG 45 -11.509 -8.777 -9.949 348 1HH1 ARG 45 1HH2 ARG 45 -9.090 -6.362 -9.206 349 2HH1 ARG 45 2HH2 ARG 45 -7.868 -7.542 -8.883 350 1HH2 ARG 45 1HH1 ARG 45 -9.897 -10.269 -9.524 351 2HH2 ARG 45 2HH1 ARG 45 -8.317 -9.730 -9.060 352 H LYS 46 H LYS 46 -13.471 -2.802 -5.287 353 HA LYS 46 HA LYS 46 -14.069 -0.464 -7.023 354 1HB LYS 46 2HB LYS 46 -16.043 0.067 -5.545 355 2HB LYS 46 1HB LYS 46 -16.255 -1.348 -6.571 356 1HG LYS 46 2HG LYS 46 -16.909 -2.334 -4.625 357 2HG LYS 46 1HG LYS 46 -15.180 -2.516 -4.362 358 1HD LYS 46 2HD LYS 46 -15.795 -1.488 -2.382 359 2HD LYS 46 1HD LYS 46 -15.397 -0.078 -3.365 360 1HE LYS 46 2HE LYS 46 -17.792 0.126 -4.000 361 2HE LYS 46 1HE LYS 46 -18.169 -1.234 -2.943 362 1HZ LYS 46 1HZ LYS 46 -17.643 -0.027 -1.059 363 2HZ LYS 46 2HZ LYS 46 -18.411 1.136 -2.032 364 3HZ LYS 46 3HZ LYS 46 -16.717 1.114 -1.906 365 H GLY 47 H GLY 47 -13.373 -1.669 -3.747 366 1HA GLY 47 2HA GLY 47 -13.040 0.768 -2.392 367 2HA GLY 47 1HA GLY 47 -12.129 -0.693 -2.017 368 H LEU 48 H LEU 48 -10.467 -1.087 -4.082 369 HA LEU 48 HA LEU 48 -8.512 0.991 -3.782 370 1HB LEU 48 2HB LEU 48 -7.091 -0.522 -4.706 371 2HB LEU 48 1HB LEU 48 -8.433 -1.642 -4.546 372 HG LEU 48 HG LEU 48 -7.877 -0.005 -7.044 373 1HD1 LEU 48 1HD1 LEU 48 -6.116 -1.463 -7.179 374 2HD1 LEU 48 2HD1 LEU 48 -7.371 -2.555 -7.763 375 3HD1 LEU 48 3HD1 LEU 48 -6.856 -2.624 -6.077 376 1HD2 LEU 48 1HD2 LEU 48 -9.397 -2.447 -7.395 377 2HD2 LEU 48 2HD2 LEU 48 -9.866 -0.791 -7.776 378 3HD2 LEU 48 3HD2 LEU 48 -10.165 -1.441 -6.165 379 H ASP 49 H ASP 49 -10.997 0.370 -6.186 380 HA ASP 49 HA ASP 49 -10.045 2.217 -8.177 381 1HB ASP 49 2HB ASP 49 -11.675 0.840 -9.080 382 2HB ASP 49 1HB ASP 49 -12.590 0.765 -7.582 383 H LEU 50 H LEU 50 -12.277 2.523 -5.422 384 HA LEU 50 HA LEU 50 -12.745 5.361 -5.833 385 1HB LEU 50 2HB LEU 50 -13.136 3.676 -3.337 386 2HB LEU 50 1HB LEU 50 -13.832 5.270 -3.636 387 HG LEU 50 HG LEU 50 -14.315 3.084 -5.630 388 1HD1 LEU 50 1HD1 LEU 50 -16.371 2.468 -4.328 389 2HD1 LEU 50 2HD1 LEU 50 -15.751 3.425 -2.981 390 3HD1 LEU 50 3HD1 LEU 50 -14.869 1.999 -3.529 391 1HD2 LEU 50 1HD2 LEU 50 -16.061 4.438 -6.298 392 2HD2 LEU 50 2HD2 LEU 50 -15.010 5.673 -5.608 393 3HD2 LEU 50 3HD2 LEU 50 -16.358 5.037 -4.667 394 H LEU 51 H LEU 51 -10.357 3.422 -4.153 395 HA LEU 51 HA LEU 51 -9.322 5.366 -2.348 396 1HB LEU 51 2HB LEU 51 -8.743 2.820 -2.676 397 2HB LEU 51 1HB LEU 51 -7.527 3.432 -3.796 398 HG LEU 51 HG LEU 51 -6.863 5.032 -1.862 399 1HD1 LEU 51 1HD1 LEU 51 -8.519 4.812 -0.245 400 2HD1 LEU 51 2HD1 LEU 51 -7.314 3.675 0.360 401 3HD1 LEU 51 3HD1 LEU 51 -8.714 3.083 -0.535 402 1HD2 LEU 51 1HD2 LEU 51 -6.376 2.058 -1.520 403 2HD2 LEU 51 2HD2 LEU 51 -5.330 3.366 -0.969 404 3HD2 LEU 51 3HD2 LEU 51 -5.537 3.070 -2.695 405 H ARG 52 H ARG 52 -8.616 4.724 -5.773 406 HA ARG 52 HA ARG 52 -6.470 6.588 -6.074 407 1HB ARG 52 2HB ARG 52 -8.558 5.713 -8.094 408 2HB ARG 52 1HB ARG 52 -7.048 6.537 -8.484 409 1HG ARG 52 2HG ARG 52 -5.756 4.681 -8.034 410 2HG ARG 52 1HG ARG 52 -6.873 4.069 -6.814 411 1HD ARG 52 2HD ARG 52 -6.836 2.690 -8.912 412 2HD ARG 52 1HD ARG 52 -8.430 3.335 -8.521 413 HE ARG 52 HE ARG 52 -7.228 5.226 -10.214 414 1HH1 ARG 52 1HH2 ARG 52 -8.159 1.858 -10.369 415 2HH1 ARG 52 2HH2 ARG 52 -8.451 1.914 -12.071 416 1HH2 ARG 52 1HH1 ARG 52 -7.616 5.252 -12.418 417 2HH2 ARG 52 2HH1 ARG 52 -8.147 3.812 -13.221 418 H MET 53 H MET 53 -9.909 7.056 -5.751 419 HA MET 53 HA MET 53 -9.675 9.888 -6.635 420 1HB MET 53 2HB MET 53 -12.208 8.481 -5.763 421 2HB MET 53 1HB MET 53 -12.057 9.935 -6.749 422 1HG MET 53 2HG MET 53 -11.080 7.191 -7.598 423 2HG MET 53 1HG MET 53 -12.625 7.888 -8.083 424 1HE MET 53 1HE MET 53 -8.794 7.676 -9.065 425 2HE MET 53 2HE MET 53 -9.430 7.815 -10.701 426 3HE MET 53 3HE MET 53 -10.204 6.726 -9.552 427 H LYS 54 H LYS 54 -10.163 7.879 -3.802 428 HA LYS 54 HA LYS 54 -10.945 10.131 -2.097 429 1HB LYS 54 2HB LYS 54 -11.405 7.475 -1.913 430 2HB LYS 54 1HB LYS 54 -9.984 7.599 -0.874 431 1HG LYS 54 2HG LYS 54 -11.637 8.061 0.676 432 2HG LYS 54 1HG LYS 54 -11.316 9.694 0.092 433 1HD LYS 54 2HD LYS 54 -13.338 8.034 -1.364 434 2HD LYS 54 1HD LYS 54 -13.795 8.751 0.181 435 1HE LYS 54 2HE LYS 54 -12.829 10.953 -0.786 436 2HE LYS 54 1HE LYS 54 -12.932 10.143 -2.351 437 1HZ LYS 54 1HZ LYS 54 -15.189 10.477 -0.450 438 2HZ LYS 54 2HZ LYS 54 -15.271 9.771 -1.993 439 3HZ LYS 54 3HZ LYS 54 -14.932 11.428 -1.831 440 H VAL 55 H VAL 55 -8.000 8.426 -2.940 441 HA VAL 55 HA VAL 55 -6.356 9.225 -0.758 442 HB VAL 55 HB VAL 55 -4.463 8.965 -2.414 443 1HG1 VAL 55 1HG1 VAL 55 -4.711 6.899 -1.522 444 2HG1 VAL 55 2HG1 VAL 55 -5.536 6.488 -3.024 445 3HG1 VAL 55 3HG1 VAL 55 -6.471 6.976 -1.612 446 1HG2 VAL 55 1HG2 VAL 55 -5.878 7.718 -4.534 447 2HG2 VAL 55 2HG2 VAL 55 -4.948 9.212 -4.605 448 3HG2 VAL 55 3HG2 VAL 55 -6.675 9.267 -4.261 449 H GLU 56 H GLU 56 -4.912 11.005 -0.544 450 HA GLU 56 HA GLU 56 -5.568 13.354 -2.280 451 1HB GLU 56 2HB GLU 56 -6.205 13.169 0.355 452 2HB GLU 56 1HB GLU 56 -4.583 13.850 0.479 453 1HG GLU 56 2HG GLU 56 -5.454 15.470 -1.420 454 2HG GLU 56 1HG GLU 56 -7.038 15.022 -0.785 455 H GLU 57 H GLU 57 -3.777 14.942 -2.443 456 HA GLU 57 HA GLU 57 -1.280 13.696 -3.078 457 1HB GLU 57 2HB GLU 57 -2.178 15.898 -3.994 458 2HB GLU 57 1HB GLU 57 -1.679 16.636 -2.470 459 1HG GLU 57 2HG GLU 57 0.575 16.376 -2.917 460 2HG GLU 57 1HG GLU 57 0.315 14.961 -3.940 461 H GLY 58 H GLY 58 0.033 12.821 -1.564 462 1HA GLY 58 2HA GLY 58 1.671 13.075 0.189 463 2HA GLY 58 1HA GLY 58 0.774 14.468 0.790 464 H ASP 59 H ASP 59 -0.954 11.551 -0.055 465 HA ASP 59 HA ASP 59 -1.671 11.204 2.811 466 1HB ASP 59 2HB ASP 59 -2.917 10.401 0.200 467 2HB ASP 59 1HB ASP 59 -3.323 9.503 1.660 468 H VAL 60 H VAL 60 -2.250 8.648 3.113 469 HA VAL 60 HA VAL 60 0.168 7.154 2.237 470 HB VAL 60 HB VAL 60 0.360 8.205 4.554 471 1HG1 VAL 60 1HG1 VAL 60 -2.144 7.259 4.992 472 2HG1 VAL 60 2HG1 VAL 60 -0.992 7.588 6.286 473 3HG1 VAL 60 3HG1 VAL 60 -1.192 5.944 5.681 474 1HG2 VAL 60 1HG2 VAL 60 1.362 6.150 5.496 475 2HG2 VAL 60 2HG2 VAL 60 1.794 6.400 3.804 476 3HG2 VAL 60 3HG2 VAL 60 0.565 5.210 4.236 477 H ILE 61 H ILE 61 -0.188 5.025 1.737 478 HA ILE 61 HA ILE 61 -2.943 3.953 2.208 479 HB ILE 61 HB ILE 61 -1.081 3.522 -0.148 480 1HG1 ILE 61 2HG1 ILE 61 -3.834 4.612 -0.442 481 2HG1 ILE 61 1HG1 ILE 61 -2.642 5.682 0.298 482 1HG2 ILE 61 1HG2 ILE 61 -2.323 1.476 0.289 483 2HG2 ILE 61 2HG2 ILE 61 -3.017 2.274 -1.123 484 3HG2 ILE 61 3HG2 ILE 61 -3.829 2.383 0.439 485 1HD1 ILE 61 1HD1 ILE 61 -2.807 5.842 -2.231 486 2HD1 ILE 61 2HD1 ILE 61 -2.143 4.209 -2.299 487 3HD1 ILE 61 3HD1 ILE 61 -1.189 5.522 -1.605 488 H LEU 62 H LEU 62 -2.803 2.368 3.722 489 HA LEU 62 HA LEU 62 -0.287 0.828 4.004 490 1HB LEU 62 2HB LEU 62 -2.590 1.489 5.728 491 2HB LEU 62 1HB LEU 62 -2.001 -0.162 5.913 492 HG LEU 62 HG LEU 62 0.020 2.039 5.819 493 1HD1 LEU 62 1HD1 LEU 62 -0.248 2.461 8.220 494 2HD1 LEU 62 2HD1 LEU 62 -1.621 1.355 8.279 495 3HD1 LEU 62 3HD1 LEU 62 -1.740 2.862 7.371 496 1HD2 LEU 62 1HD2 LEU 62 1.106 0.028 6.100 497 2HD2 LEU 62 2HD2 LEU 62 -0.283 -0.730 6.879 498 3HD2 LEU 62 3HD2 LEU 62 0.755 0.363 7.796 499 H VAL 63 H VAL 63 -0.091 -1.261 3.348 500 HA VAL 63 HA VAL 63 -2.565 -2.681 2.447 501 HB VAL 63 HB VAL 63 0.200 -2.870 1.212 502 1HG1 VAL 63 1HG1 VAL 63 -0.732 -4.355 -0.344 503 2HG1 VAL 63 2HG1 VAL 63 -2.381 -3.837 0.005 504 3HG1 VAL 63 3HG1 VAL 63 -1.513 -4.849 1.159 505 1HG2 VAL 63 1HG2 VAL 63 -2.317 -1.504 0.207 506 2HG2 VAL 63 2HG2 VAL 63 -0.798 -1.642 -0.679 507 3HG2 VAL 63 3HG2 VAL 63 -0.874 -0.678 0.797 508 H LYS 64 H LYS 64 -2.684 -3.769 4.499 509 HA LYS 64 HA LYS 64 -0.516 -5.124 5.756 510 1HB LYS 64 2HB LYS 64 -3.488 -5.231 5.922 511 2HB LYS 64 1HB LYS 64 -2.604 -6.612 6.573 512 1HG LYS 64 2HG LYS 64 -1.962 -3.741 7.291 513 2HG LYS 64 1HG LYS 64 -3.040 -4.762 8.244 514 1HD LYS 64 2HD LYS 64 -0.416 -5.964 7.561 515 2HD LYS 64 1HD LYS 64 -0.362 -4.603 8.681 516 1HE LYS 64 2HE LYS 64 -2.264 -5.812 9.943 517 2HE LYS 64 1HE LYS 64 -1.816 -7.229 8.992 518 1HZ LYS 64 1HZ LYS 64 0.547 -6.683 9.794 519 2HZ LYS 64 2HZ LYS 64 -0.526 -7.431 10.880 520 3HZ LYS 64 3HZ LYS 64 -0.223 -5.763 10.993 521 H LYS 65 H LYS 65 -0.783 -7.684 6.079 522 HA LYS 65 HA LYS 65 -0.701 -8.840 3.327 523 1HB LYS 65 2HB LYS 65 1.327 -8.896 4.991 524 2HB LYS 65 1HB LYS 65 0.429 -10.204 5.758 525 1HG LYS 65 2HG LYS 65 0.696 -10.316 2.793 526 2HG LYS 65 1HG LYS 65 2.148 -10.644 3.738 527 1HD LYS 65 2HD LYS 65 0.400 -12.143 5.129 528 2HD LYS 65 1HD LYS 65 -0.379 -12.205 3.547 529 1HE LYS 65 2HE LYS 65 2.567 -12.637 3.610 530 2HE LYS 65 1HE LYS 65 1.558 -13.929 4.256 531 1HZ LYS 65 1HZ LYS 65 1.833 -14.336 1.958 532 2HZ LYS 65 2HZ LYS 65 1.447 -12.733 1.547 533 3HZ LYS 65 3HZ LYS 65 0.246 -13.769 2.156 534 H LEU 66 H LEU 66 -2.384 -10.098 2.796 535 HA LEU 66 HA LEU 66 -3.393 -12.237 4.384 536 1HB LEU 66 2HB LEU 66 -4.347 -10.363 5.739 537 2HB LEU 66 1HB LEU 66 -5.209 -9.803 4.308 538 HG LEU 66 HG LEU 66 -6.332 -12.030 4.164 539 1HD1 LEU 66 1HD1 LEU 66 -4.565 -12.501 6.525 540 2HD1 LEU 66 2HD1 LEU 66 -5.043 -13.610 5.241 541 3HD1 LEU 66 3HD1 LEU 66 -6.169 -13.234 6.544 542 1HD2 LEU 66 1HD2 LEU 66 -7.971 -10.997 5.319 543 2HD2 LEU 66 2HD2 LEU 66 -6.785 -9.933 6.072 544 3HD2 LEU 66 3HD2 LEU 66 -7.203 -11.465 6.835 545 H ASP 67 H ASP 67 -4.153 -9.792 1.936 546 HA ASP 67 HA ASP 67 -5.082 -11.989 0.146 547 1HB ASP 67 2HB ASP 67 -6.964 -10.528 1.204 548 2HB ASP 67 1HB ASP 67 -6.389 -9.274 0.106 549 H ARG 68 H ARG 68 -3.539 -11.996 -1.424 550 HA ARG 68 HA ARG 68 -1.835 -9.810 -2.079 551 1HB ARG 68 2HB ARG 68 -2.527 -12.425 -3.347 552 2HB ARG 68 1HB ARG 68 -1.694 -11.227 -4.338 553 1HG ARG 68 2HG ARG 68 0.218 -11.265 -3.025 554 2HG ARG 68 1HG ARG 68 -0.660 -11.764 -1.579 555 1HD ARG 68 2HD ARG 68 0.700 -13.625 -2.421 556 2HD ARG 68 1HD ARG 68 -1.015 -14.004 -2.587 557 HE ARG 68 HE ARG 68 -0.364 -12.868 -5.021 558 1HH1 ARG 68 1HH2 ARG 68 0.938 -15.498 -3.119 559 2HH1 ARG 68 2HH2 ARG 68 1.479 -16.369 -4.511 560 1HH2 ARG 68 1HH1 ARG 68 0.353 -14.028 -6.794 561 2HH2 ARG 68 2HH1 ARG 68 1.153 -15.549 -6.571 562 H LEU 69 H LEU 69 -1.944 -8.257 -3.725 563 HA LEU 69 HA LEU 69 -4.521 -7.287 -4.482 564 1HB LEU 69 2HB LEU 69 -1.920 -6.710 -5.928 565 2HB LEU 69 1HB LEU 69 -3.350 -5.683 -5.845 566 HG LEU 69 HG LEU 69 -2.751 -6.092 -3.168 567 1HD1 LEU 69 1HD1 LEU 69 -0.493 -6.178 -2.801 568 2HD1 LEU 69 2HD1 LEU 69 -0.112 -5.307 -4.286 569 3HD1 LEU 69 3HD1 LEU 69 -0.512 -7.021 -4.349 570 1HD2 LEU 69 1HD2 LEU 69 -1.577 -3.820 -4.775 571 2HD2 LEU 69 2HD2 LEU 69 -2.251 -3.775 -3.146 572 3HD2 LEU 69 3HD2 LEU 69 -3.318 -3.972 -4.535 573 H GLY 70 H GLY 70 -4.335 -6.753 -7.241 574 1HA GLY 70 2HA GLY 70 -5.421 -9.137 -8.378 575 2HA GLY 70 1HA GLY 70 -4.909 -7.724 -9.301 576 H ARG 71 H ARG 71 -4.481 -10.764 -9.613 577 HA ARG 71 HA ARG 71 -1.519 -10.598 -10.015 578 1HB ARG 71 2HB ARG 71 -1.457 -13.062 -9.588 579 2HB ARG 71 1HB ARG 71 -1.966 -12.134 -8.177 580 1HG ARG 71 2HG ARG 71 -4.150 -12.875 -8.301 581 2HG ARG 71 1HG ARG 71 -4.089 -13.086 -10.051 582 1HD ARG 71 2HD ARG 71 -2.253 -14.930 -9.315 583 2HD ARG 71 1HD ARG 71 -3.295 -14.965 -7.892 584 HE ARG 71 HE ARG 71 -4.832 -15.085 -10.345 585 1HH1 ARG 71 1HH2 ARG 71 -2.914 -16.976 -8.114 586 2HH1 ARG 71 2HH2 ARG 71 -3.712 -18.455 -8.524 587 1HH2 ARG 71 1HH1 ARG 71 -5.837 -17.020 -10.846 588 2HH2 ARG 71 2HH1 ARG 71 -5.348 -18.482 -10.055 589 H ASP 72 H ASP 72 -3.780 -10.023 -11.871 590 HA ASP 72 HA ASP 72 -3.476 -12.254 -13.827 591 1HB ASP 72 2HB ASP 72 -5.758 -11.102 -13.090 592 2HB ASP 72 1HB ASP 72 -5.289 -9.922 -14.314 593 H THR 73 H THR 73 -3.744 -8.689 -14.056 594 HA THR 73 HA THR 73 -1.462 -8.768 -15.984 595 HB THR 73 HB THR 73 -3.706 -8.245 -17.031 596 HG1 THR 73 1HG THR 73 -2.670 -6.985 -18.352 597 1HG2 THR 73 1HG2 THR 73 -3.468 -5.661 -15.460 598 2HG2 THR 73 2HG2 THR 73 -4.595 -6.958 -15.061 599 3HG2 THR 73 3HG2 THR 73 -4.748 -6.097 -16.592 600 H ALA 74 H ALA 74 -1.278 -5.882 -16.119 601 HA ALA 74 HA ALA 74 0.326 -5.392 -13.756 602 1HB ALA 74 1HB ALA 74 0.759 -4.421 -16.043 603 2HB ALA 74 2HB ALA 74 0.745 -3.223 -14.750 604 3HB ALA 74 3HB ALA 74 -0.654 -3.390 -15.812 605 H ASP 75 H ASP 75 -1.779 -5.961 -12.420 606 HA ASP 75 HA ASP 75 -3.536 -3.597 -12.061 607 1HB ASP 75 2HB ASP 75 -3.645 -6.482 -11.275 608 2HB ASP 75 1HB ASP 75 -4.493 -5.318 -10.255 609 H MET 76 H MET 76 -1.430 -5.728 -10.110 610 HA MET 76 HA MET 76 -1.539 -4.221 -7.700 611 1HB MET 76 2HB MET 76 -0.581 -6.516 -7.911 612 2HB MET 76 1HB MET 76 0.800 -5.832 -8.768 613 1HG MET 76 2HG MET 76 0.096 -4.602 -6.145 614 2HG MET 76 1HG MET 76 0.811 -6.213 -6.103 615 1HE MET 76 1HE MET 76 3.432 -3.198 -5.364 616 2HE MET 76 2HE MET 76 2.688 -4.606 -4.610 617 3HE MET 76 3HE MET 76 1.681 -3.250 -5.110 618 H ILE 77 H ILE 77 0.100 -3.591 -10.705 619 HA ILE 77 HA ILE 77 1.827 -1.534 -9.446 620 HB ILE 77 HB ILE 77 1.689 -2.489 -12.326 621 1HG1 ILE 77 2HG1 ILE 77 4.058 -3.383 -11.387 622 2HG1 ILE 77 1HG1 ILE 77 3.116 -3.458 -9.898 623 1HG2 ILE 77 1HG2 ILE 77 3.283 -0.444 -10.864 624 2HG2 ILE 77 2HG2 ILE 77 2.795 -0.492 -12.557 625 3HG2 ILE 77 3HG2 ILE 77 4.163 -1.458 -12.007 626 1HD1 ILE 77 1HD1 ILE 77 1.658 -5.053 -10.735 627 2HD1 ILE 77 2HD1 ILE 77 3.132 -5.500 -11.593 628 3HD1 ILE 77 3HD1 ILE 77 1.894 -4.541 -12.406 629 H GLN 78 H GLN 78 -1.141 -1.847 -11.238 630 HA GLN 78 HA GLN 78 -1.193 0.740 -12.469 631 1HB GLN 78 2HB GLN 78 -2.828 -1.446 -12.545 632 2HB GLN 78 1HB GLN 78 -3.781 -0.359 -11.540 633 1HG GLN 78 2HG GLN 78 -2.646 1.078 -13.797 634 2HG GLN 78 1HG GLN 78 -3.573 -0.315 -14.349 635 1HE2 GLN 78 1HE2 GLN 78 -3.865 2.461 -12.062 636 2HE2 GLN 78 2HE2 GLN 78 -5.535 2.661 -12.292 637 H LEU 79 H LEU 79 -3.183 -0.257 -9.659 638 HA LEU 79 HA LEU 79 -3.789 2.365 -8.828 639 1HB LEU 79 2HB LEU 79 -4.561 1.434 -6.764 640 2HB LEU 79 1HB LEU 79 -4.874 0.225 -8.000 641 HG LEU 79 HG LEU 79 -2.392 0.171 -6.264 642 1HD1 LEU 79 1HD1 LEU 79 -3.485 -1.062 -4.655 643 2HD1 LEU 79 2HD1 LEU 79 -4.699 -1.656 -5.785 644 3HD1 LEU 79 3HD1 LEU 79 -4.808 -0.011 -5.159 645 1HD2 LEU 79 1HD2 LEU 79 -3.793 -1.805 -8.080 646 2HD2 LEU 79 2HD2 LEU 79 -2.556 -2.288 -6.921 647 3HD2 LEU 79 3HD2 LEU 79 -2.150 -1.185 -8.232 648 H ILE 80 H ILE 80 -0.974 0.374 -8.037 649 HA ILE 80 HA ILE 80 0.153 2.048 -6.017 650 HB ILE 80 HB ILE 80 1.152 -0.084 -7.872 651 1HG1 ILE 80 2HG1 ILE 80 1.941 -1.021 -5.706 652 2HG1 ILE 80 1HG1 ILE 80 1.358 0.429 -4.892 653 1HG2 ILE 80 1HG2 ILE 80 3.008 1.778 -6.356 654 2HG2 ILE 80 2HG2 ILE 80 2.993 1.492 -8.097 655 3HG2 ILE 80 3HG2 ILE 80 3.486 0.204 -6.996 656 1HD1 ILE 80 1HD1 ILE 80 -0.140 -1.806 -5.169 657 2HD1 ILE 80 2HD1 ILE 80 -0.601 -0.954 -6.641 658 3HD1 ILE 80 3HD1 ILE 80 -0.837 -0.189 -5.071 659 H LYS 81 H LYS 81 0.533 2.072 -9.578 660 HA LYS 81 HA LYS 81 2.313 4.350 -9.600 661 1HB LYS 81 2HB LYS 81 1.125 2.572 -11.524 662 2HB LYS 81 1HB LYS 81 0.825 4.227 -12.045 663 1HG LYS 81 2HG LYS 81 2.929 4.251 -12.852 664 2HG LYS 81 1HG LYS 81 3.493 4.253 -11.184 665 1HD LYS 81 2HD LYS 81 4.579 2.373 -12.037 666 2HD LYS 81 1HD LYS 81 3.119 1.652 -11.358 667 1HE LYS 81 2HE LYS 81 2.210 1.212 -13.421 668 2HE LYS 81 1HE LYS 81 2.950 2.629 -14.165 669 1HZ LYS 81 1HZ LYS 81 4.947 1.543 -14.453 670 2HZ LYS 81 2HZ LYS 81 3.831 0.300 -14.757 671 3HZ LYS 81 3HZ LYS 81 4.627 0.384 -13.259 672 H GLU 82 H GLU 82 -1.160 3.958 -9.447 673 HA GLU 82 HA GLU 82 -1.926 6.564 -10.337 674 1HB GLU 82 2HB GLU 82 -3.314 4.362 -9.715 675 2HB GLU 82 1HB GLU 82 -3.500 5.226 -8.185 676 1HG GLU 82 2HG GLU 82 -5.291 6.122 -9.333 677 2HG GLU 82 1HG GLU 82 -4.040 7.260 -9.831 678 H PHE 83 H PHE 83 -1.550 5.336 -6.971 679 HA PHE 83 HA PHE 83 -1.720 8.041 -5.900 680 1HB PHE 83 2HB PHE 83 -0.503 5.907 -4.213 681 2HB PHE 83 1HB PHE 83 -1.694 7.128 -3.789 682 HD1 PHE 83 1HD PHE 83 -1.162 3.708 -4.782 683 HD2 PHE 83 2HD PHE 83 -4.092 6.836 -4.630 684 HE1 PHE 83 1HE PHE 83 -2.963 2.023 -5.006 685 HE2 PHE 83 2HE PHE 83 -5.898 5.150 -4.857 686 HZ PHE 83 HZ PHE 83 -5.335 2.746 -5.048 687 H ASP 84 H ASP 84 0.863 5.944 -6.963 688 HA ASP 84 HA ASP 84 3.043 7.249 -5.633 689 1HB ASP 84 2HB ASP 84 3.169 5.061 -6.896 690 2HB ASP 84 1HB ASP 84 3.106 5.991 -8.391 691 H ALA 85 H ALA 85 1.607 7.743 -8.854 692 HA ALA 85 HA ALA 85 3.264 9.996 -9.537 693 1HB ALA 85 1HB ALA 85 1.580 10.391 -11.320 694 2HB ALA 85 2HB ALA 85 0.532 9.183 -10.576 695 3HB ALA 85 3HB ALA 85 2.087 8.702 -11.255 696 H GLN 86 H GLN 86 0.384 9.664 -7.583 697 HA GLN 86 HA GLN 86 -0.282 12.510 -7.733 698 1HB GLN 86 2HB GLN 86 -1.496 10.069 -6.682 699 2HB GLN 86 1HB GLN 86 -1.648 11.417 -5.559 700 1HG GLN 86 2HG GLN 86 -2.655 12.804 -7.290 701 2HG GLN 86 1HG GLN 86 -2.403 11.536 -8.491 702 1HE2 GLN 86 1HE2 GLN 86 -3.932 9.817 -8.574 703 2HE2 GLN 86 2HE2 GLN 86 -5.277 9.714 -7.545 704 H GLY 87 H GLY 87 2.279 11.060 -6.316 705 1HA GLY 87 2HA GLY 87 3.755 11.846 -4.665 706 2HA GLY 87 1HA GLY 87 2.667 13.215 -4.417 707 H VAL 88 H VAL 88 1.613 9.869 -4.233 708 HA VAL 88 HA VAL 88 0.997 10.301 -1.345 709 HB VAL 88 HB VAL 88 -0.133 8.235 -3.256 710 1HG1 VAL 88 1HG1 VAL 88 -0.930 9.125 -0.467 711 2HG1 VAL 88 2HG1 VAL 88 -0.280 7.549 -0.918 712 3HG1 VAL 88 3HG1 VAL 88 -1.881 8.035 -1.477 713 1HG2 VAL 88 1HG2 VAL 88 -0.994 10.240 -4.090 714 2HG2 VAL 88 2HG2 VAL 88 -0.973 11.023 -2.509 715 3HG2 VAL 88 3HG2 VAL 88 -2.206 9.817 -2.881 716 H SER 89 H SER 89 1.311 8.446 0.103 717 HA SER 89 HA SER 89 3.668 6.815 -0.728 718 1HB SER 89 2HB SER 89 2.817 8.080 1.821 719 2HB SER 89 1HB SER 89 3.575 6.497 1.960 720 HG SER 89 HG SER 89 5.412 7.377 1.453 721 H ILE 90 H ILE 90 3.677 4.554 -0.190 722 HA ILE 90 HA ILE 90 1.048 3.414 0.639 723 HB ILE 90 HB ILE 90 2.727 2.368 -1.667 724 1HG1 ILE 90 2HG1 ILE 90 0.088 3.870 -1.676 725 2HG1 ILE 90 1HG1 ILE 90 1.636 4.525 -2.202 726 1HG2 ILE 90 1HG2 ILE 90 -0.112 1.603 -1.048 727 2HG2 ILE 90 2HG2 ILE 90 1.203 0.840 -0.155 728 3HG2 ILE 90 3HG2 ILE 90 1.125 0.689 -1.910 729 1HD1 ILE 90 1HD1 ILE 90 1.622 2.340 -3.732 730 2HD1 ILE 90 2HD1 ILE 90 0.812 3.823 -4.239 731 3HD1 ILE 90 3HD1 ILE 90 -0.122 2.508 -3.528 732 H ARG 91 H ARG 91 1.640 2.558 2.592 733 HA ARG 91 HA ARG 91 4.275 1.378 3.030 734 1HB ARG 91 2HB ARG 91 1.777 1.337 4.754 735 2HB ARG 91 1HB ARG 91 3.388 0.841 5.277 736 1HG ARG 91 2HG ARG 91 4.026 3.269 4.366 737 2HG ARG 91 1HG ARG 91 2.329 3.580 4.739 738 1HD ARG 91 2HD ARG 91 3.397 4.086 6.767 739 2HD ARG 91 1HD ARG 91 2.866 2.423 7.016 740 HE ARG 91 HE ARG 91 5.126 1.817 7.155 741 1HH1 ARG 91 1HH2 ARG 91 4.826 4.806 5.362 742 2HH1 ARG 91 2HH2 ARG 91 6.537 4.996 5.199 743 1HH2 ARG 91 1HH1 ARG 91 7.334 2.104 6.920 744 2HH2 ARG 91 2HH1 ARG 91 7.942 3.485 6.070 745 H PHE 92 H PHE 92 4.674 -0.541 2.018 746 HA PHE 92 HA PHE 92 2.503 -2.533 1.740 747 1HB PHE 92 2HB PHE 92 4.928 -1.877 0.297 748 2HB PHE 92 1HB PHE 92 4.954 -3.579 0.752 749 HD1 PHE 92 1HD PHE 92 2.532 -1.033 -0.576 750 HD2 PHE 92 2HD PHE 92 3.926 -5.094 -0.690 751 HE1 PHE 92 1HE PHE 92 0.912 -1.538 -2.383 752 HE2 PHE 92 2HE PHE 92 2.306 -5.598 -2.498 753 HZ PHE 92 HZ PHE 92 0.800 -3.818 -3.343 754 H ILE 93 H ILE 93 2.337 -4.266 3.082 755 HA ILE 93 HA ILE 93 3.912 -4.491 5.451 756 HB ILE 93 HB ILE 93 1.613 -5.382 5.247 757 1HG1 ILE 93 2HG1 ILE 93 2.050 -7.604 6.327 758 2HG1 ILE 93 1HG1 ILE 93 3.751 -7.440 5.888 759 1HG2 ILE 93 1HG2 ILE 93 2.083 -6.255 2.859 760 2HG2 ILE 93 2HG2 ILE 93 1.070 -7.251 3.903 761 3HG2 ILE 93 3HG2 ILE 93 2.763 -7.675 3.655 762 1HD1 ILE 93 1HD1 ILE 93 2.994 -6.661 8.262 763 2HD1 ILE 93 2HD1 ILE 93 2.361 -5.250 7.416 764 3HD1 ILE 93 3HD1 ILE 93 4.080 -5.623 7.339 765 H ASP 94 H ASP 94 4.285 -5.870 2.248 766 HA ASP 94 HA ASP 94 6.106 -7.974 2.891 767 1HB ASP 94 2HB ASP 94 4.894 -7.375 0.640 768 2HB ASP 94 1HB ASP 94 6.336 -6.402 0.340 769 H ASP 95 H ASP 95 6.578 -4.507 2.373 770 HA ASP 95 HA ASP 95 9.368 -4.837 3.365 771 1HB ASP 95 2HB ASP 95 8.492 -3.729 0.749 772 2HB ASP 95 1HB ASP 95 9.742 -2.822 1.602 773 H GLY 96 H GLY 96 7.126 -2.251 2.285 774 1HA GLY 96 2HA GLY 96 6.209 -0.959 4.369 775 2HA GLY 96 1HA GLY 96 7.922 -0.699 4.700 776 H ILE 97 H ILE 97 8.516 -0.528 1.792 777 HA ILE 97 HA ILE 97 7.968 2.336 1.495 778 HB ILE 97 HB ILE 97 9.444 0.484 -0.389 779 1HG1 ILE 97 2HG1 ILE 97 10.315 0.281 1.936 780 2HG1 ILE 97 1HG1 ILE 97 11.477 1.035 0.866 781 1HG2 ILE 97 1HG2 ILE 97 10.732 2.732 -0.701 782 2HG2 ILE 97 2HG2 ILE 97 9.303 3.465 0.029 783 3HG2 ILE 97 3HG2 ILE 97 9.156 2.549 -1.471 784 1HD1 ILE 97 1HD1 ILE 97 10.786 3.268 1.685 785 2HD1 ILE 97 2HD1 ILE 97 11.354 2.249 3.008 786 3HD1 ILE 97 3HD1 ILE 97 9.626 2.499 2.768 787 H SER 98 H SER 98 7.258 3.121 -0.741 788 HA SER 98 HA SER 98 4.689 2.166 -1.417 789 1HB SER 98 2HB SER 98 6.693 3.932 -2.747 790 2HB SER 98 1HB SER 98 5.346 3.346 -3.718 791 HG SER 98 HG SER 98 5.335 5.340 -2.029 792 H THR 99 H THR 99 7.514 1.900 -3.586 793 HA THR 99 HA THR 99 7.389 -0.911 -3.972 794 HB THR 99 HB THR 99 5.207 -0.626 -4.959 795 HG1 THR 99 1HG THR 99 7.049 -0.679 -7.109 796 1HG2 THR 99 1HG2 THR 99 4.825 1.546 -5.557 797 2HG2 THR 99 2HG2 THR 99 5.325 0.962 -7.145 798 3HG2 THR 99 3HG2 THR 99 6.483 1.793 -6.108 799 H ASP 100 H ASP 100 9.611 0.223 -3.701 800 HA ASP 100 HA ASP 100 10.772 1.620 -5.931 801 1HB ASP 100 2HB ASP 100 11.685 1.634 -3.596 802 2HB ASP 100 1HB ASP 100 12.187 -0.042 -3.825 803 H GLY 101 H GLY 101 9.974 0.192 -7.685 804 1HA GLY 101 2HA GLY 101 10.368 -1.425 -9.336 805 2HA GLY 101 1HA GLY 101 12.001 -1.553 -8.682 806 H GLU 102 H GLU 102 8.683 -2.736 -8.296 807 HA GLU 102 HA GLU 102 9.493 -4.810 -6.389 808 1HB GLU 102 2HB GLU 102 7.010 -3.684 -7.373 809 2HB GLU 102 1HB GLU 102 6.950 -5.442 -7.473 810 1HG GLU 102 2HG GLU 102 6.226 -5.089 -5.287 811 2HG GLU 102 1HG GLU 102 7.958 -5.318 -5.040 812 H MET 103 H MET 103 10.530 -6.612 -7.063 813 HA MET 103 HA MET 103 9.553 -8.212 -9.268 814 1HB MET 103 2HB MET 103 11.635 -8.045 -10.654 815 2HB MET 103 1HB MET 103 10.700 -6.549 -10.626 816 1HG MET 103 2HG MET 103 12.198 -5.838 -8.666 817 2HG MET 103 1HG MET 103 13.241 -7.184 -9.121 818 1HE MET 103 1HE MET 103 14.280 -7.619 -10.930 819 2HE MET 103 2HE MET 103 15.139 -6.424 -11.898 820 3HE MET 103 3HE MET 103 13.626 -7.104 -12.491 821 H GLY 104 H GLY 104 12.344 -7.460 -7.187 822 1HA GLY 104 2HA GLY 104 12.545 -10.377 -6.585 823 2HA GLY 104 1HA GLY 104 14.001 -9.450 -6.952 824 H LYS 105 H LYS 105 14.261 -7.416 -5.537 825 HA LYS 105 HA LYS 105 13.581 -8.154 -2.723 826 1HB LYS 105 2HB LYS 105 15.848 -6.525 -3.901 827 2HB LYS 105 1HB LYS 105 15.506 -6.585 -2.171 828 1HG LYS 105 2HG LYS 105 16.115 -8.818 -1.986 829 2HG LYS 105 1HG LYS 105 15.757 -9.164 -3.678 830 1HD LYS 105 2HD LYS 105 17.720 -7.694 -4.300 831 2HD LYS 105 1HD LYS 105 18.130 -7.632 -2.585 832 1HE LYS 105 2HE LYS 105 17.870 -10.173 -4.220 833 2HE LYS 105 1HE LYS 105 19.394 -9.410 -3.764 834 1HZ LYS 105 1HZ LYS 105 19.011 -11.047 -2.157 835 2HZ LYS 105 2HZ LYS 105 17.368 -10.649 -2.001 836 3HZ LYS 105 3HZ LYS 105 18.559 -9.598 -1.401 Start of MODEL 19 1 1H MET 1 1HT MET 1 -3.702 15.191 5.127 2 HA MET 1 HA MET 1 -2.094 13.422 4.591 3 1HB MET 1 2HB MET 1 -0.281 14.492 6.021 4 2HB MET 1 1HB MET 1 -1.135 13.859 7.429 5 1HG MET 1 2HG MET 1 -1.040 11.595 6.042 6 2HG MET 1 1HG MET 1 0.345 12.383 5.288 7 1HE MET 1 1HE MET 1 1.366 9.718 6.988 8 2HE MET 1 2HE MET 1 -0.386 9.910 7.025 9 3HE MET 1 3HE MET 1 0.508 9.747 8.534 10 H ARG 2 H ARG 2 -3.248 11.563 4.784 11 HA ARG 2 HA ARG 2 -4.809 11.120 7.293 12 1HB ARG 2 2HB ARG 2 -5.786 11.440 4.540 13 2HB ARG 2 1HB ARG 2 -6.347 9.949 5.297 14 1HG ARG 2 2HG ARG 2 -7.970 11.304 6.156 15 2HG ARG 2 1HG ARG 2 -6.726 11.694 7.345 16 1HD ARG 2 2HD ARG 2 -6.625 13.253 4.823 17 2HD ARG 2 1HD ARG 2 -8.009 13.575 5.869 18 HE ARG 2 HE ARG 2 -5.289 14.376 6.389 19 1HH1 ARG 2 1HH2 ARG 2 -8.204 13.227 7.944 20 2HH1 ARG 2 2HH2 ARG 2 -7.812 13.975 9.453 21 1HH2 ARG 2 1HH1 ARG 2 -4.824 15.328 8.360 22 2HH2 ARG 2 2HH1 ARG 2 -5.922 15.151 9.688 23 H LEU 3 H LEU 3 -5.454 8.779 7.514 24 HA LEU 3 HA LEU 3 -3.275 7.037 6.450 25 1HB LEU 3 2HB LEU 3 -5.077 6.666 8.863 26 2HB LEU 3 1HB LEU 3 -3.792 5.562 8.369 27 HG LEU 3 HG LEU 3 -2.392 7.872 8.427 28 1HD1 LEU 3 1HD1 LEU 3 -4.016 8.246 10.894 29 2HD1 LEU 3 2HD1 LEU 3 -4.740 8.795 9.382 30 3HD1 LEU 3 3HD1 LEU 3 -3.184 9.443 9.902 31 1HD2 LEU 3 1HD2 LEU 3 -1.842 7.188 10.858 32 2HD2 LEU 3 2HD2 LEU 3 -1.602 5.970 9.606 33 3HD2 LEU 3 3HD2 LEU 3 -3.034 5.908 10.631 34 H PHE 4 H PHE 4 -4.429 6.700 4.424 35 HA PHE 4 HA PHE 4 -7.074 5.432 4.501 36 1HB PHE 4 2HB PHE 4 -5.173 6.329 2.368 37 2HB PHE 4 1HB PHE 4 -6.393 5.123 1.951 38 HD1 PHE 4 1HD PHE 4 -8.842 5.634 2.510 39 HD2 PHE 4 2HD PHE 4 -5.750 8.614 2.554 40 HE1 PHE 4 1HE PHE 4 -10.558 7.417 2.362 41 HE2 PHE 4 2HE PHE 4 -7.466 10.397 2.406 42 HZ PHE 4 HZ PHE 4 -9.871 9.799 2.309 43 H GLY 5 H GLY 5 -7.489 3.241 4.091 44 1HA GLY 5 2HA GLY 5 -5.110 1.465 3.775 45 2HA GLY 5 1HA GLY 5 -6.299 1.130 5.032 46 H TYR 6 H TYR 6 -5.514 -0.461 2.648 47 HA TYR 6 HA TYR 6 -8.172 -0.612 1.277 48 1HB TYR 6 2HB TYR 6 -6.223 -0.098 -0.208 49 2HB TYR 6 1HB TYR 6 -5.471 -1.609 0.304 50 HD1 TYR 6 1HD TYR 6 -8.182 -0.091 -1.668 51 HD2 TYR 6 2HD TYR 6 -6.389 -3.769 -0.366 52 HE1 TYR 6 1HE TYR 6 -9.464 -1.331 -3.394 53 HE2 TYR 6 2HE TYR 6 -7.670 -5.008 -2.088 54 HH TYR 6 HH TYR 6 -8.729 -4.354 -4.406 55 H ALA 7 H ALA 7 -9.298 -2.544 1.547 56 HA ALA 7 HA ALA 7 -7.794 -4.884 2.614 57 1HB ALA 7 1HB ALA 7 -10.091 -5.001 4.102 58 2HB ALA 7 2HB ALA 7 -9.811 -3.263 4.028 59 3HB ALA 7 3HB ALA 7 -8.565 -4.328 4.677 60 H ARG 8 H ARG 8 -8.204 -6.360 1.003 61 HA ARG 8 HA ARG 8 -11.012 -6.612 0.016 62 1HB ARG 8 2HB ARG 8 -9.217 -6.368 -1.714 63 2HB ARG 8 1HB ARG 8 -8.486 -7.860 -1.120 64 1HG ARG 8 2HG ARG 8 -10.234 -9.190 -1.895 65 2HG ARG 8 1HG ARG 8 -11.394 -7.861 -1.860 66 1HD ARG 8 2HD ARG 8 -10.988 -8.140 -4.155 67 2HD ARG 8 1HD ARG 8 -9.902 -6.817 -3.723 68 HE ARG 8 HE ARG 8 -8.317 -9.029 -3.366 69 1HH1 ARG 8 1HH2 ARG 8 -10.334 -7.933 -6.006 70 2HH1 ARG 8 2HH2 ARG 8 -9.360 -8.714 -7.202 71 1HH2 ARG 8 1HH1 ARG 8 -7.085 -10.015 -4.948 72 2HH2 ARG 8 2HH1 ARG 8 -7.542 -9.880 -6.613 73 H VAL 9 H VAL 9 -12.193 -8.309 0.774 74 HA VAL 9 HA VAL 9 -11.113 -10.110 2.735 75 HB VAL 9 HB VAL 9 -13.317 -11.284 2.504 76 1HG1 VAL 9 1HG1 VAL 9 -13.843 -8.333 2.600 77 2HG1 VAL 9 2HG1 VAL 9 -12.799 -9.064 3.818 78 3HG1 VAL 9 3HG1 VAL 9 -14.467 -9.610 3.644 79 1HG2 VAL 9 1HG2 VAL 9 -14.299 -9.124 0.726 80 2HG2 VAL 9 2HG2 VAL 9 -14.791 -10.813 0.825 81 3HG2 VAL 9 3HG2 VAL 9 -13.318 -10.375 -0.039 82 H SER 10 H SER 10 -11.827 -12.584 2.326 83 HA SER 10 HA SER 10 -11.164 -13.585 -0.338 84 1HB SER 10 2HB SER 10 -8.958 -12.995 0.995 85 2HB SER 10 1HB SER 10 -9.312 -14.498 1.843 86 HG SER 10 HG SER 10 -9.101 -14.162 -0.973 87 H THR 11 H THR 11 -11.486 -14.344 3.134 88 HA THR 11 HA THR 11 -12.447 -17.045 2.543 89 HB THR 11 HB THR 11 -11.106 -16.630 4.575 90 HG1 THR 11 1HG THR 11 -12.247 -18.047 5.633 91 1HG2 THR 11 1HG2 THR 11 -12.108 -15.389 6.465 92 2HG2 THR 11 2HG2 THR 11 -13.477 -14.954 5.444 93 3HG2 THR 11 3HG2 THR 11 -11.867 -14.342 5.067 94 H SER 12 H SER 12 -14.595 -17.791 2.997 95 HA SER 12 HA SER 12 -16.667 -15.937 2.250 96 1HB SER 12 2HB SER 12 -16.711 -18.781 3.242 97 2HB SER 12 1HB SER 12 -18.189 -17.898 2.869 98 HG SER 12 HG SER 12 -16.139 -18.792 1.187 99 H GLN 13 H GLN 13 -15.820 -17.482 5.311 100 HA GLN 13 HA GLN 13 -17.984 -16.389 6.816 101 1HB GLN 13 2HB GLN 13 -16.628 -16.982 8.764 102 2HB GLN 13 1HB GLN 13 -16.569 -18.264 7.558 103 1HG GLN 13 2HG GLN 13 -14.413 -17.264 6.714 104 2HG GLN 13 1HG GLN 13 -14.442 -16.176 8.103 105 1HE2 GLN 13 1HE2 GLN 13 -13.159 -16.958 9.771 106 2HE2 GLN 13 2HE2 GLN 13 -12.949 -18.597 10.160 107 H GLN 14 H GLN 14 -16.750 -15.019 8.961 108 HA GLN 14 HA GLN 14 -16.741 -12.332 8.044 109 1HB GLN 14 2HB GLN 14 -15.804 -11.763 10.257 110 2HB GLN 14 1HB GLN 14 -17.104 -12.943 10.411 111 1HG GLN 14 2HG GLN 14 -14.836 -14.528 10.080 112 2HG GLN 14 1HG GLN 14 -14.264 -13.202 11.092 113 1HE2 GLN 14 1HE2 GLN 14 -14.954 -16.135 11.751 114 2HE2 GLN 14 2HE2 GLN 14 -16.021 -16.018 13.068 115 H SER 15 H SER 15 -15.290 -11.484 6.649 116 HA SER 15 HA SER 15 -12.407 -12.216 6.995 117 1HB SER 15 2HB SER 15 -13.593 -13.061 4.885 118 2HB SER 15 1HB SER 15 -13.679 -11.375 4.412 119 HG SER 15 HG SER 15 -11.466 -11.267 4.416 120 H LEU 16 H LEU 16 -14.674 -9.738 5.862 121 HA LEU 16 HA LEU 16 -12.864 -7.600 5.519 122 1HB LEU 16 2HB LEU 16 -15.089 -7.350 4.711 123 2HB LEU 16 1HB LEU 16 -15.792 -7.722 6.278 124 HG LEU 16 HG LEU 16 -13.985 -5.373 6.238 125 1HD1 LEU 16 1HD1 LEU 16 -15.206 -5.196 4.051 126 2HD1 LEU 16 2HD1 LEU 16 -15.603 -3.898 5.178 127 3HD1 LEU 16 3HD1 LEU 16 -16.725 -5.238 4.945 128 1HD2 LEU 16 1HD2 LEU 16 -16.806 -5.307 7.195 129 2HD2 LEU 16 2HD2 LEU 16 -15.344 -4.690 7.965 130 3HD2 LEU 16 3HD2 LEU 16 -15.712 -6.414 8.024 131 H ASP 17 H ASP 17 -14.512 -8.722 8.470 132 HA ASP 17 HA ASP 17 -13.719 -6.600 10.196 133 1HB ASP 17 2HB ASP 17 -15.348 -8.570 10.625 134 2HB ASP 17 1HB ASP 17 -13.907 -9.470 11.099 135 H ILE 18 H ILE 18 -12.144 -9.738 9.569 136 HA ILE 18 HA ILE 18 -9.867 -9.285 11.234 137 HB ILE 18 HB ILE 18 -10.090 -10.992 8.732 138 1HG1 ILE 18 2HG1 ILE 18 -10.255 -12.247 11.404 139 2HG1 ILE 18 1HG1 ILE 18 -11.618 -11.197 11.014 140 1HG2 ILE 18 1HG2 ILE 18 -8.093 -10.804 10.975 141 2HG2 ILE 18 2HG2 ILE 18 -7.805 -10.937 9.240 142 3HG2 ILE 18 3HG2 ILE 18 -8.356 -12.341 10.153 143 1HD1 ILE 18 1HD1 ILE 18 -12.238 -13.322 10.165 144 2HD1 ILE 18 2HD1 ILE 18 -10.634 -13.608 9.486 145 3HD1 ILE 18 3HD1 ILE 18 -11.698 -12.409 8.760 146 H GLN 19 H GLN 19 -10.601 -8.364 7.909 147 HA GLN 19 HA GLN 19 -7.898 -7.591 7.218 148 1HB GLN 19 2HB GLN 19 -10.618 -7.083 6.049 149 2HB GLN 19 1HB GLN 19 -9.232 -6.166 5.471 150 1HG GLN 19 2HG GLN 19 -8.837 -9.097 5.715 151 2HG GLN 19 1HG GLN 19 -9.926 -8.564 4.434 152 1HE2 GLN 19 1HE2 GLN 19 -6.572 -8.568 5.510 153 2HE2 GLN 19 2HE2 GLN 19 -5.926 -7.867 4.104 154 H VAL 20 H VAL 20 -10.789 -5.713 8.207 155 HA VAL 20 HA VAL 20 -9.602 -3.146 8.245 156 HB VAL 20 HB VAL 20 -11.714 -4.273 10.114 157 1HG1 VAL 20 1HG1 VAL 20 -10.554 -1.562 9.728 158 2HG1 VAL 20 2HG1 VAL 20 -11.265 -2.286 11.170 159 3HG1 VAL 20 3HG1 VAL 20 -12.308 -1.653 9.896 160 1HG2 VAL 20 1HG2 VAL 20 -12.995 -2.667 8.302 161 2HG2 VAL 20 2HG2 VAL 20 -12.844 -4.415 8.137 162 3HG2 VAL 20 3HG2 VAL 20 -11.714 -3.351 7.301 163 H ARG 21 H ARG 21 -9.782 -5.572 10.854 164 HA ARG 21 HA ARG 21 -8.350 -4.106 12.835 165 1HB ARG 21 2HB ARG 21 -8.215 -7.109 12.440 166 2HB ARG 21 1HB ARG 21 -8.026 -6.219 13.948 167 1HG ARG 21 2HG ARG 21 -10.570 -5.575 12.686 168 2HG ARG 21 1HG ARG 21 -10.409 -7.314 12.920 169 1HD ARG 21 2HD ARG 21 -11.314 -6.622 14.966 170 2HD ARG 21 1HD ARG 21 -9.586 -6.660 15.317 171 HE ARG 21 HE ARG 21 -10.327 -4.057 14.354 172 1HH1 ARG 21 1HH2 ARG 21 -10.585 -6.134 17.157 173 2HH1 ARG 21 2HH2 ARG 21 -10.692 -4.806 18.256 174 1HH2 ARG 21 1HH1 ARG 21 -10.467 -2.369 15.812 175 2HH2 ARG 21 2HH1 ARG 21 -10.625 -2.695 17.506 176 H ALA 22 H ALA 22 -7.285 -6.083 10.122 177 HA ALA 22 HA ALA 22 -4.472 -6.080 10.824 178 1HB ALA 22 1HB ALA 22 -4.125 -6.929 8.575 179 2HB ALA 22 2HB ALA 22 -5.726 -6.382 8.075 180 3HB ALA 22 3HB ALA 22 -5.567 -7.705 9.231 181 H LEU 23 H LEU 23 -6.617 -4.005 8.963 182 HA LEU 23 HA LEU 23 -4.520 -2.336 7.855 183 1HB LEU 23 2HB LEU 23 -7.501 -2.294 7.993 184 2HB LEU 23 1HB LEU 23 -6.689 -0.755 7.707 185 HG LEU 23 HG LEU 23 -5.529 -1.692 5.761 186 1HD1 LEU 23 1HD1 LEU 23 -5.868 -3.940 4.997 187 2HD1 LEU 23 2HD1 LEU 23 -7.125 -4.225 6.200 188 3HD1 LEU 23 3HD1 LEU 23 -5.444 -4.054 6.705 189 1HD2 LEU 23 1HD2 LEU 23 -7.536 -0.767 5.043 190 2HD2 LEU 23 2HD2 LEU 23 -8.509 -1.906 5.973 191 3HD2 LEU 23 3HD2 LEU 23 -7.723 -2.428 4.484 192 H LYS 24 H LYS 24 -6.771 -2.037 10.613 193 HA LYS 24 HA LYS 24 -5.834 0.538 11.475 194 1HB LYS 24 2HB LYS 24 -7.387 -1.698 12.729 195 2HB LYS 24 1HB LYS 24 -6.721 -0.452 13.782 196 1HG LYS 24 2HG LYS 24 -8.552 0.771 13.282 197 2HG LYS 24 1HG LYS 24 -7.832 1.011 11.693 198 1HD LYS 24 2HD LYS 24 -9.408 -0.257 10.700 199 2HD LYS 24 1HD LYS 24 -9.149 -1.579 11.836 200 1HE LYS 24 2HE LYS 24 -10.621 0.825 12.823 201 2HE LYS 24 1HE LYS 24 -11.473 -0.270 11.735 202 1HZ LYS 24 1HZ LYS 24 -10.605 -2.091 13.280 203 2HZ LYS 24 2HZ LYS 24 -11.891 -1.128 13.832 204 3HZ LYS 24 3HZ LYS 24 -10.312 -0.841 14.387 205 H ASP 25 H ASP 25 -4.911 -2.782 12.371 206 HA ASP 25 HA ASP 25 -2.994 -2.136 14.366 207 1HB ASP 25 2HB ASP 25 -3.943 -4.444 13.488 208 2HB ASP 25 1HB ASP 25 -2.530 -4.385 12.445 209 H ALA 26 H ALA 26 -2.856 -2.232 10.869 210 HA ALA 26 HA ALA 26 -0.011 -1.884 10.590 211 1HB ALA 26 1HB ALA 26 -0.865 -0.962 8.274 212 2HB ALA 26 2HB ALA 26 -2.422 -1.576 8.828 213 3HB ALA 26 3HB ALA 26 -1.054 -2.674 8.653 214 H GLY 27 H GLY 27 -2.751 0.286 11.004 215 1HA GLY 27 2HA GLY 27 -2.099 2.467 12.153 216 2HA GLY 27 1HA GLY 27 -0.871 2.616 10.891 217 H VAL 28 H VAL 28 -4.234 1.523 10.647 218 HA VAL 28 HA VAL 28 -4.719 3.733 8.695 219 HB VAL 28 HB VAL 28 -5.838 0.909 8.789 220 1HG1 VAL 28 1HG1 VAL 28 -7.464 2.707 7.997 221 2HG1 VAL 28 2HG1 VAL 28 -7.105 1.443 6.822 222 3HG1 VAL 28 3HG1 VAL 28 -6.336 3.023 6.679 223 1HG2 VAL 28 1HG2 VAL 28 -3.721 2.313 7.222 224 2HG2 VAL 28 2HG2 VAL 28 -4.709 1.120 6.381 225 3HG2 VAL 28 3HG2 VAL 28 -3.774 0.648 7.799 226 H LYS 29 H LYS 29 -6.792 4.744 8.798 227 HA LYS 29 HA LYS 29 -7.997 4.708 11.486 228 1HB LYS 29 2HB LYS 29 -7.845 6.559 9.235 229 2HB LYS 29 1HB LYS 29 -9.497 6.424 9.838 230 1HG LYS 29 2HG LYS 29 -8.980 7.365 11.864 231 2HG LYS 29 1HG LYS 29 -7.363 6.656 11.896 232 1HD LYS 29 2HD LYS 29 -6.423 8.405 10.741 233 2HD LYS 29 1HD LYS 29 -7.883 8.703 9.798 234 1HE LYS 29 2HE LYS 29 -8.958 9.770 11.696 235 2HE LYS 29 1HE LYS 29 -7.605 9.348 12.747 236 1HZ LYS 29 1HZ LYS 29 -7.675 11.685 11.759 237 2HZ LYS 29 2HZ LYS 29 -7.197 10.953 10.303 238 3HZ LYS 29 3HZ LYS 29 -6.206 10.839 11.680 239 H ALA 30 H ALA 30 -10.088 3.973 11.943 240 HA ALA 30 HA ALA 30 -11.190 1.922 10.279 241 1HB ALA 30 1HB ALA 30 -11.547 2.599 12.868 242 2HB ALA 30 2HB ALA 30 -12.686 1.585 11.981 243 3HB ALA 30 3HB ALA 30 -13.007 3.309 12.177 244 H ASN 31 H ASN 31 -11.856 5.365 10.596 245 HA ASN 31 HA ASN 31 -14.252 5.388 9.004 246 1HB ASN 31 2HB ASN 31 -12.775 7.243 10.499 247 2HB ASN 31 1HB ASN 31 -12.662 7.834 8.844 248 1HD2 ASN 31 1HD2 ASN 31 -15.176 6.483 11.058 249 2HD2 ASN 31 2HD2 ASN 31 -16.401 7.538 10.547 250 H ARG 32 H ARG 32 -10.841 5.256 8.257 251 HA ARG 32 HA ARG 32 -11.453 5.730 5.370 252 1HB ARG 32 2HB ARG 32 -8.990 6.104 7.057 253 2HB ARG 32 1HB ARG 32 -8.823 5.816 5.327 254 1HG ARG 32 2HG ARG 32 -9.110 8.051 5.104 255 2HG ARG 32 1HG ARG 32 -10.817 7.724 5.402 256 1HD ARG 32 2HD ARG 32 -9.832 7.795 7.956 257 2HD ARG 32 1HD ARG 32 -8.804 8.985 7.157 258 HE ARG 32 HE ARG 32 -11.631 9.333 6.539 259 1HH1 ARG 32 1HH2 ARG 32 -9.078 10.058 8.818 260 2HH1 ARG 32 2HH2 ARG 32 -9.871 11.476 9.407 261 1HH2 ARG 32 1HH1 ARG 32 -12.619 11.176 7.329 262 2HH2 ARG 32 2HH1 ARG 32 -11.853 12.105 8.573 263 H ILE 33 H ILE 33 -12.325 3.343 6.008 264 HA ILE 33 HA ILE 33 -10.117 1.416 5.409 265 HB ILE 33 HB ILE 33 -12.801 0.944 6.748 266 1HG1 ILE 33 2HG1 ILE 33 -11.161 2.160 8.149 267 2HG1 ILE 33 1HG1 ILE 33 -11.457 0.538 8.767 268 1HG2 ILE 33 1HG2 ILE 33 -12.493 -1.273 6.478 269 2HG2 ILE 33 2HG2 ILE 33 -10.822 -1.173 7.027 270 3HG2 ILE 33 3HG2 ILE 33 -11.211 -0.885 5.333 271 1HD1 ILE 33 1HD1 ILE 33 -9.065 0.953 8.815 272 2HD1 ILE 33 2HD1 ILE 33 -9.078 1.446 7.121 273 3HD1 ILE 33 3HD1 ILE 33 -9.398 -0.233 7.553 274 H PHE 34 H PHE 34 -10.318 1.855 3.111 275 HA PHE 34 HA PHE 34 -12.878 1.402 1.773 276 1HB PHE 34 2HB PHE 34 -10.257 2.420 1.060 277 2HB PHE 34 1HB PHE 34 -10.767 1.207 -0.114 278 HD1 PHE 34 1HD PHE 34 -13.627 1.476 -0.319 279 HD2 PHE 34 2HD PHE 34 -10.671 4.549 0.209 280 HE1 PHE 34 1HE PHE 34 -15.165 3.129 -1.340 281 HE2 PHE 34 2HE PHE 34 -12.211 6.200 -0.814 282 HZ PHE 34 HZ PHE 34 -14.457 5.493 -1.588 283 H THR 35 H THR 35 -13.366 -0.724 2.551 284 HA THR 35 HA THR 35 -11.531 -2.922 1.924 285 HB THR 35 HB THR 35 -12.809 -3.034 3.996 286 HG1 THR 35 1HG THR 35 -13.152 -5.091 3.734 287 1HG2 THR 35 1HG2 THR 35 -14.947 -2.346 4.112 288 2HG2 THR 35 2HG2 THR 35 -15.435 -3.563 2.934 289 3HG2 THR 35 3HG2 THR 35 -14.895 -1.977 2.388 290 H ASP 36 H ASP 36 -12.536 -4.899 0.832 291 HA ASP 36 HA ASP 36 -14.357 -4.136 -1.407 292 1HB ASP 36 2HB ASP 36 -11.617 -5.371 -1.542 293 2HB ASP 36 1HB ASP 36 -12.815 -5.757 -2.776 294 H LYS 37 H LYS 37 -16.111 -5.363 -0.763 295 HA LYS 37 HA LYS 37 -15.865 -7.926 0.536 296 1HB LYS 37 2HB LYS 37 -17.881 -6.130 0.312 297 2HB LYS 37 1HB LYS 37 -18.386 -7.304 -0.904 298 1HG LYS 37 2HG LYS 37 -19.350 -7.952 1.230 299 2HG LYS 37 1HG LYS 37 -18.092 -9.116 0.811 300 1HD LYS 37 2HD LYS 37 -16.662 -8.376 2.468 301 2HD LYS 37 1HD LYS 37 -17.290 -6.729 2.424 302 1HE LYS 37 2HE LYS 37 -18.145 -7.534 4.451 303 2HE LYS 37 1HE LYS 37 -19.487 -7.808 3.341 304 1HZ LYS 37 1HZ LYS 37 -17.430 -9.869 3.872 305 2HZ LYS 37 2HZ LYS 37 -18.959 -10.068 3.158 306 3HZ LYS 37 3HZ LYS 37 -18.832 -9.729 4.817 307 H ALA 38 H ALA 38 -14.288 -8.707 -1.207 308 HA ALA 38 HA ALA 38 -15.161 -9.403 -3.833 309 1HB ALA 38 1HB ALA 38 -13.177 -11.064 -2.294 310 2HB ALA 38 2HB ALA 38 -12.773 -9.412 -2.762 311 3HB ALA 38 3HB ALA 38 -13.157 -10.609 -3.998 312 H SER 39 H SER 39 -15.965 -10.774 -0.759 313 HA SER 39 HA SER 39 -16.771 -13.354 -1.978 314 1HB SER 39 2HB SER 39 -15.515 -13.315 0.203 315 2HB SER 39 1HB SER 39 -16.899 -12.503 0.929 316 HG SER 39 HG SER 39 -16.527 -15.115 0.414 317 H GLY 40 H GLY 40 -18.487 -12.185 -3.203 318 1HA GLY 40 2HA GLY 40 -21.007 -12.211 -1.666 319 2HA GLY 40 1HA GLY 40 -20.599 -10.683 -2.451 320 H SER 41 H SER 41 -22.323 -10.788 -3.964 321 HA SER 41 HA SER 41 -22.952 -13.053 -5.583 322 1HB SER 41 2HB SER 41 -23.384 -10.089 -5.884 323 2HB SER 41 1HB SER 41 -23.815 -11.186 -7.192 324 HG SER 41 HG SER 41 -25.545 -10.819 -5.717 325 H SER 42 H SER 42 -20.471 -10.597 -5.835 326 HA SER 42 HA SER 42 -19.052 -12.153 -7.851 327 1HB SER 42 2HB SER 42 -20.880 -10.372 -8.872 328 2HB SER 42 1HB SER 42 -19.427 -9.379 -8.803 329 HG SER 42 HG SER 42 -18.365 -11.191 -9.877 330 H SER 43 H SER 43 -16.977 -10.803 -8.486 331 HA SER 43 HA SER 43 -15.613 -10.117 -6.068 332 1HB SER 43 2HB SER 43 -14.770 -10.728 -8.555 333 2HB SER 43 1HB SER 43 -14.606 -8.975 -8.626 334 HG SER 43 HG SER 43 -13.331 -10.851 -6.969 335 H ASP 44 H ASP 44 -14.888 -8.033 -5.339 336 HA ASP 44 HA ASP 44 -16.430 -5.726 -6.452 337 1HB ASP 44 2HB ASP 44 -16.058 -6.574 -3.578 338 2HB ASP 44 1HB ASP 44 -16.448 -4.907 -4.002 339 H ARG 45 H ARG 45 -14.441 -5.213 -7.620 340 HA ARG 45 HA ARG 45 -12.110 -4.447 -5.955 341 1HB ARG 45 2HB ARG 45 -12.546 -4.642 -8.947 342 2HB ARG 45 1HB ARG 45 -11.073 -3.979 -8.237 343 1HG ARG 45 2HG ARG 45 -10.330 -6.023 -7.532 344 2HG ARG 45 1HG ARG 45 -11.954 -6.596 -7.154 345 1HD ARG 45 2HD ARG 45 -12.267 -7.474 -9.233 346 2HD ARG 45 1HD ARG 45 -11.440 -6.136 -10.030 347 HE ARG 45 HE ARG 45 -9.388 -7.488 -8.777 348 1HH1 ARG 45 1HH2 ARG 45 -11.956 -8.440 -10.952 349 2HH1 ARG 45 2HH2 ARG 45 -11.034 -9.732 -11.635 350 1HH2 ARG 45 1HH1 ARG 45 -8.229 -9.167 -9.691 351 2HH2 ARG 45 2HH1 ARG 45 -8.946 -10.141 -10.931 352 H LYS 46 H LYS 46 -14.361 -2.862 -5.491 353 HA LYS 46 HA LYS 46 -14.075 -0.403 -7.103 354 1HB LYS 46 2HB LYS 46 -15.861 -1.018 -4.729 355 2HB LYS 46 1HB LYS 46 -15.952 0.427 -5.737 356 1HG LYS 46 2HG LYS 46 -16.134 -1.343 -7.696 357 2HG LYS 46 1HG LYS 46 -16.702 -2.396 -6.400 358 1HD LYS 46 2HD LYS 46 -17.849 0.369 -6.751 359 2HD LYS 46 1HD LYS 46 -18.467 -0.991 -7.687 360 1HE LYS 46 2HE LYS 46 -18.436 -2.099 -5.209 361 2HE LYS 46 1HE LYS 46 -18.734 -0.412 -4.791 362 1HZ LYS 46 1HZ LYS 46 -20.276 -1.866 -6.862 363 2HZ LYS 46 2HZ LYS 46 -20.638 -0.361 -6.162 364 3HZ LYS 46 3HZ LYS 46 -20.760 -1.783 -5.239 365 H GLY 47 H GLY 47 -12.756 -1.719 -4.202 366 1HA GLY 47 2HA GLY 47 -12.424 0.565 -2.577 367 2HA GLY 47 1HA GLY 47 -11.304 -0.794 -2.616 368 H LEU 48 H LEU 48 -10.408 -0.568 -5.294 369 HA LEU 48 HA LEU 48 -8.545 1.657 -4.981 370 1HB LEU 48 2HB LEU 48 -8.496 0.367 -7.624 371 2HB LEU 48 1HB LEU 48 -7.209 0.591 -6.457 372 HG LEU 48 HG LEU 48 -8.587 -1.351 -5.189 373 1HD1 LEU 48 1HD1 LEU 48 -8.943 -2.921 -7.395 374 2HD1 LEU 48 2HD1 LEU 48 -9.462 -1.357 -8.017 375 3HD1 LEU 48 3HD1 LEU 48 -10.247 -2.043 -6.597 376 1HD2 LEU 48 1HD2 LEU 48 -6.253 -1.573 -5.625 377 2HD2 LEU 48 2HD2 LEU 48 -6.505 -1.563 -7.370 378 3HD2 LEU 48 3HD2 LEU 48 -7.011 -2.957 -6.416 379 H ASP 49 H ASP 49 -11.323 0.896 -7.026 380 HA ASP 49 HA ASP 49 -11.071 3.069 -8.858 381 1HB ASP 49 2HB ASP 49 -13.268 1.280 -7.945 382 2HB ASP 49 1HB ASP 49 -13.747 2.788 -8.727 383 H LEU 50 H LEU 50 -12.242 2.911 -5.556 384 HA LEU 50 HA LEU 50 -13.173 5.737 -5.711 385 1HB LEU 50 2HB LEU 50 -13.417 3.781 -3.405 386 2HB LEU 50 1HB LEU 50 -14.249 5.327 -3.578 387 HG LEU 50 HG LEU 50 -14.567 3.133 -5.626 388 1HD1 LEU 50 1HD1 LEU 50 -15.184 2.332 -3.307 389 2HD1 LEU 50 2HD1 LEU 50 -16.519 2.344 -4.458 390 3HD1 LEU 50 3HD1 LEU 50 -16.383 3.624 -3.253 391 1HD2 LEU 50 1HD2 LEU 50 -16.013 5.671 -4.868 392 2HD2 LEU 50 2HD2 LEU 50 -16.821 4.408 -5.797 393 3HD2 LEU 50 3HD2 LEU 50 -15.380 5.195 -6.444 394 H LEU 51 H LEU 51 -10.890 3.628 -3.974 395 HA LEU 51 HA LEU 51 -9.819 5.627 -2.226 396 1HB LEU 51 2HB LEU 51 -9.411 3.155 -2.020 397 2HB LEU 51 1HB LEU 51 -8.353 3.253 -3.427 398 HG LEU 51 HG LEU 51 -7.226 5.192 -1.997 399 1HD1 LEU 51 1HD1 LEU 51 -7.249 4.115 0.438 400 2HD1 LEU 51 2HD1 LEU 51 -8.854 3.588 -0.068 401 3HD1 LEU 51 3HD1 LEU 51 -8.459 5.306 -0.039 402 1HD2 LEU 51 1HD2 LEU 51 -6.547 2.487 -0.968 403 2HD2 LEU 51 2HD2 LEU 51 -5.504 3.705 -1.703 404 3HD2 LEU 51 3HD2 LEU 51 -6.519 2.682 -2.721 405 H ARG 52 H ARG 52 -9.202 4.812 -5.589 406 HA ARG 52 HA ARG 52 -6.791 6.346 -5.916 407 1HB ARG 52 2HB ARG 52 -8.914 5.370 -7.825 408 2HB ARG 52 1HB ARG 52 -7.552 6.347 -8.378 409 1HG ARG 52 2HG ARG 52 -5.961 4.706 -7.620 410 2HG ARG 52 1HG ARG 52 -7.212 3.799 -6.770 411 1HD ARG 52 2HD ARG 52 -6.569 2.785 -8.976 412 2HD ARG 52 1HD ARG 52 -8.281 3.197 -8.864 413 HE ARG 52 HE ARG 52 -6.797 5.392 -9.992 414 1HH1 ARG 52 1HH2 ARG 52 -8.057 2.217 -10.749 415 2HH1 ARG 52 2HH2 ARG 52 -8.207 2.569 -12.435 416 1HH2 ARG 52 1HH1 ARG 52 -7.006 5.801 -12.182 417 2HH2 ARG 52 2HH1 ARG 52 -7.620 4.575 -13.239 418 H MET 53 H MET 53 -10.115 7.263 -5.564 419 HA MET 53 HA MET 53 -9.425 10.021 -6.464 420 1HB MET 53 2HB MET 53 -11.711 10.348 -7.104 421 2HB MET 53 1HB MET 53 -11.222 8.796 -7.770 422 1HG MET 53 2HG MET 53 -12.338 7.620 -5.938 423 2HG MET 53 1HG MET 53 -12.747 9.152 -5.168 424 1HE MET 53 1HE MET 53 -14.190 7.538 -9.174 425 2HE MET 53 2HE MET 53 -14.086 6.458 -7.787 426 3HE MET 53 3HE MET 53 -12.644 7.298 -8.350 427 H LYS 54 H LYS 54 -10.052 8.164 -3.699 428 HA LYS 54 HA LYS 54 -11.246 10.452 -2.229 429 1HB LYS 54 2HB LYS 54 -11.923 7.865 -2.092 430 2HB LYS 54 1HB LYS 54 -10.652 7.869 -0.866 431 1HG LYS 54 2HG LYS 54 -11.853 9.993 0.042 432 2HG LYS 54 1HG LYS 54 -13.227 9.433 -0.912 433 1HD LYS 54 2HD LYS 54 -13.568 7.577 0.411 434 2HD LYS 54 1HD LYS 54 -11.861 7.433 0.832 435 1HE LYS 54 2HE LYS 54 -12.017 8.941 2.567 436 2HE LYS 54 1HE LYS 54 -13.310 9.858 1.794 437 1HZ LYS 54 1HZ LYS 54 -14.026 8.552 3.756 438 2HZ LYS 54 2HZ LYS 54 -13.650 7.129 2.906 439 3HZ LYS 54 3HZ LYS 54 -14.871 8.165 2.336 440 H VAL 55 H VAL 55 -8.235 8.725 -2.598 441 HA VAL 55 HA VAL 55 -6.974 9.327 -0.133 442 HB VAL 55 HB VAL 55 -4.833 9.233 -1.473 443 1HG1 VAL 55 1HG1 VAL 55 -5.513 7.170 -0.601 444 2HG1 VAL 55 2HG1 VAL 55 -5.396 6.832 -2.325 445 3HG1 VAL 55 3HG1 VAL 55 -6.970 7.124 -1.591 446 1HG2 VAL 55 1HG2 VAL 55 -6.359 10.060 -3.563 447 2HG2 VAL 55 2HG2 VAL 55 -6.364 8.321 -3.847 448 3HG2 VAL 55 3HG2 VAL 55 -4.835 9.197 -3.763 449 H GLU 56 H GLU 56 -5.360 11.016 0.324 450 HA GLU 56 HA GLU 56 -6.063 13.605 -1.005 451 1HB GLU 56 2HB GLU 56 -6.419 13.032 1.609 452 2HB GLU 56 1HB GLU 56 -4.750 13.598 1.666 453 1HG GLU 56 2HG GLU 56 -5.802 15.633 1.871 454 2HG GLU 56 1HG GLU 56 -5.778 15.529 0.110 455 H GLU 57 H GLU 57 -4.380 14.811 -1.856 456 HA GLU 57 HA GLU 57 -1.923 13.636 -2.540 457 1HB GLU 57 2HB GLU 57 -2.524 16.583 -2.142 458 2HB GLU 57 1HB GLU 57 -1.136 15.939 -3.021 459 1HG GLU 57 2HG GLU 57 -2.444 15.141 -4.777 460 2HG GLU 57 1HG GLU 57 -3.899 15.045 -3.783 461 H GLY 58 H GLY 58 -0.694 12.709 -0.960 462 1HA GLY 58 2HA GLY 58 1.283 13.241 0.453 463 2HA GLY 58 1HA GLY 58 0.317 14.517 1.193 464 H ASP 59 H ASP 59 -1.295 11.503 0.510 465 HA ASP 59 HA ASP 59 -1.395 11.003 3.441 466 1HB ASP 59 2HB ASP 59 -3.446 9.825 3.068 467 2HB ASP 59 1HB ASP 59 -3.541 11.299 2.117 468 H VAL 60 H VAL 60 -1.897 8.402 3.703 469 HA VAL 60 HA VAL 60 0.253 6.969 2.199 470 HB VAL 60 HB VAL 60 0.521 5.647 4.447 471 1HG1 VAL 60 1HG1 VAL 60 2.295 7.209 5.143 472 2HG1 VAL 60 2HG1 VAL 60 1.593 8.463 4.121 473 3HG1 VAL 60 3HG1 VAL 60 2.275 7.009 3.391 474 1HG2 VAL 60 1HG2 VAL 60 -1.449 7.233 5.353 475 2HG2 VAL 60 2HG2 VAL 60 -0.073 8.259 5.760 476 3HG2 VAL 60 3HG2 VAL 60 -0.176 6.625 6.412 477 H ILE 61 H ILE 61 -0.330 4.958 1.490 478 HA ILE 61 HA ILE 61 -3.045 3.989 2.278 479 HB ILE 61 HB ILE 61 -1.505 3.615 -0.312 480 1HG1 ILE 61 2HG1 ILE 61 -4.166 4.973 0.005 481 2HG1 ILE 61 1HG1 ILE 61 -2.683 5.861 0.353 482 1HG2 ILE 61 1HG2 ILE 61 -3.670 2.603 -1.110 483 2HG2 ILE 61 2HG2 ILE 61 -4.225 2.603 0.564 484 3HG2 ILE 61 3HG2 ILE 61 -2.831 1.628 0.098 485 1HD1 ILE 61 1HD1 ILE 61 -3.609 5.989 -2.056 486 2HD1 ILE 61 2HD1 ILE 61 -3.022 4.335 -2.225 487 3HD1 ILE 61 3HD1 ILE 61 -1.892 5.639 -1.861 488 H LEU 62 H LEU 62 -2.650 2.477 3.845 489 HA LEU 62 HA LEU 62 -0.323 0.709 3.751 490 1HB LEU 62 2HB LEU 62 -2.559 1.265 5.614 491 2HB LEU 62 1HB LEU 62 -1.970 -0.398 5.632 492 HG LEU 62 HG LEU 62 -0.038 1.911 5.735 493 1HD1 LEU 62 1HD1 LEU 62 -1.784 0.821 7.916 494 2HD1 LEU 62 2HD1 LEU 62 -1.269 2.483 7.624 495 3HD1 LEU 62 3HD1 LEU 62 -0.137 1.315 8.307 496 1HD2 LEU 62 1HD2 LEU 62 -0.040 -1.021 6.461 497 2HD2 LEU 62 2HD2 LEU 62 1.178 0.078 7.110 498 3HD2 LEU 62 3HD2 LEU 62 1.047 -0.163 5.368 499 H VAL 63 H VAL 63 -0.263 -1.320 2.871 500 HA VAL 63 HA VAL 63 -2.853 -2.526 1.987 501 HB VAL 63 HB VAL 63 -0.200 -2.682 0.525 502 1HG1 VAL 63 1HG1 VAL 63 -2.825 -3.308 -0.739 503 2HG1 VAL 63 2HG1 VAL 63 -2.199 -4.483 0.418 504 3HG1 VAL 63 3HG1 VAL 63 -1.247 -4.048 -1.001 505 1HG2 VAL 63 1HG2 VAL 63 -2.642 -0.939 0.157 506 2HG2 VAL 63 2HG2 VAL 63 -1.545 -1.287 -1.181 507 3HG2 VAL 63 3HG2 VAL 63 -0.950 -0.445 0.251 508 H LYS 64 H LYS 64 -3.139 -4.222 3.368 509 HA LYS 64 HA LYS 64 -0.922 -5.653 4.579 510 1HB LYS 64 2HB LYS 64 -3.523 -5.347 5.269 511 2HB LYS 64 1HB LYS 64 -3.606 -6.929 4.495 512 1HG LYS 64 2HG LYS 64 -1.319 -7.139 6.043 513 2HG LYS 64 1HG LYS 64 -2.381 -6.163 7.056 514 1HD LYS 64 2HD LYS 64 -4.173 -7.850 6.794 515 2HD LYS 64 1HD LYS 64 -3.092 -8.834 5.807 516 1HE LYS 64 2HE LYS 64 -2.320 -7.960 8.592 517 2HE LYS 64 1HE LYS 64 -3.262 -9.425 8.314 518 1HZ LYS 64 1HZ LYS 64 -1.541 -10.337 7.000 519 2HZ LYS 64 2HZ LYS 64 -0.800 -9.740 8.407 520 3HZ LYS 64 3HZ LYS 64 -0.690 -8.872 6.951 521 H LYS 65 H LYS 65 -1.304 -8.272 4.397 522 HA LYS 65 HA LYS 65 -1.401 -8.921 1.481 523 1HB LYS 65 2HB LYS 65 0.939 -8.810 2.819 524 2HB LYS 65 1HB LYS 65 0.468 -10.464 3.213 525 1HG LYS 65 2HG LYS 65 0.165 -9.616 0.372 526 2HG LYS 65 1HG LYS 65 1.809 -9.860 0.964 527 1HD LYS 65 2HD LYS 65 0.921 -12.098 1.916 528 2HD LYS 65 1HD LYS 65 -0.450 -11.853 0.833 529 1HE LYS 65 2HE LYS 65 1.105 -13.153 -0.418 530 2HE LYS 65 1HE LYS 65 1.282 -11.507 -1.028 531 1HZ LYS 65 1HZ LYS 65 3.415 -12.622 -0.546 532 2HZ LYS 65 2HZ LYS 65 2.983 -12.691 1.096 533 3HZ LYS 65 3HZ LYS 65 3.198 -11.188 0.334 534 H LEU 66 H LEU 66 -3.643 -9.552 2.139 535 HA LEU 66 HA LEU 66 -3.856 -11.953 3.849 536 1HB LEU 66 2HB LEU 66 -5.541 -10.065 3.925 537 2HB LEU 66 1HB LEU 66 -6.049 -10.542 2.305 538 HG LEU 66 HG LEU 66 -6.508 -12.842 3.180 539 1HD1 LEU 66 1HD1 LEU 66 -6.772 -12.826 5.785 540 2HD1 LEU 66 2HD1 LEU 66 -5.612 -11.499 5.720 541 3HD1 LEU 66 3HD1 LEU 66 -5.172 -13.088 5.091 542 1HD2 LEU 66 1HD2 LEU 66 -8.437 -11.963 4.775 543 2HD2 LEU 66 2HD2 LEU 66 -8.475 -11.610 3.049 544 3HD2 LEU 66 3HD2 LEU 66 -7.907 -10.389 4.185 545 H ASP 67 H ASP 67 -5.174 -11.144 0.616 546 HA ASP 67 HA ASP 67 -4.622 -13.976 -0.178 547 1HB ASP 67 2HB ASP 67 -7.032 -13.302 -0.140 548 2HB ASP 67 1HB ASP 67 -6.671 -12.065 -1.344 549 H ARG 68 H ARG 68 -5.171 -10.886 -1.902 550 HA ARG 68 HA ARG 68 -2.529 -10.634 -2.938 551 1HB ARG 68 2HB ARG 68 -3.689 -12.797 -4.093 552 2HB ARG 68 1HB ARG 68 -4.249 -11.533 -5.189 553 1HG ARG 68 2HG ARG 68 -2.161 -11.143 -6.015 554 2HG ARG 68 1HG ARG 68 -1.393 -11.348 -4.441 555 1HD ARG 68 2HD ARG 68 -0.633 -13.187 -5.745 556 2HD ARG 68 1HD ARG 68 -1.885 -13.850 -4.697 557 HE ARG 68 HE ARG 68 -3.022 -12.972 -7.196 558 1HH1 ARG 68 1HH2 ARG 68 -1.125 -15.530 -5.749 559 2HH1 ARG 68 2HH2 ARG 68 -1.638 -16.705 -6.910 560 1HH2 ARG 68 1HH1 ARG 68 -3.658 -14.523 -8.677 561 2HH2 ARG 68 2HH1 ARG 68 -3.055 -16.143 -8.551 562 H LEU 69 H LEU 69 -2.367 -8.792 -4.354 563 HA LEU 69 HA LEU 69 -4.227 -6.719 -3.921 564 1HB LEU 69 2HB LEU 69 -2.045 -7.201 -5.935 565 2HB LEU 69 1HB LEU 69 -3.046 -5.757 -6.044 566 HG LEU 69 HG LEU 69 -0.895 -5.496 -4.738 567 1HD1 LEU 69 1HD1 LEU 69 -3.630 -4.815 -3.797 568 2HD1 LEU 69 2HD1 LEU 69 -2.301 -3.750 -4.254 569 3HD1 LEU 69 3HD1 LEU 69 -2.308 -4.521 -2.668 570 1HD2 LEU 69 1HD2 LEU 69 -0.918 -7.659 -3.563 571 2HD2 LEU 69 2HD2 LEU 69 -2.366 -7.163 -2.687 572 3HD2 LEU 69 3HD2 LEU 69 -0.843 -6.318 -2.422 573 H GLY 70 H GLY 70 -3.661 -8.290 -7.100 574 1HA GLY 70 2HA GLY 70 -6.580 -8.408 -7.558 575 2HA GLY 70 1HA GLY 70 -5.660 -7.371 -8.650 576 H ARG 71 H ARG 71 -5.729 -8.541 -10.542 577 HA ARG 71 HA ARG 71 -5.633 -11.372 -10.773 578 1HB ARG 71 2HB ARG 71 -6.039 -9.333 -12.523 579 2HB ARG 71 1HB ARG 71 -4.397 -9.800 -12.968 580 1HG ARG 71 2HG ARG 71 -5.064 -11.801 -13.830 581 2HG ARG 71 1HG ARG 71 -6.249 -12.068 -12.551 582 1HD ARG 71 2HD ARG 71 -7.787 -10.474 -13.622 583 2HD ARG 71 1HD ARG 71 -6.601 -10.172 -14.893 584 HE ARG 71 HE ARG 71 -7.252 -12.195 -15.901 585 1HH1 ARG 71 1HH2 ARG 71 -8.289 -12.139 -12.560 586 2HH1 ARG 71 2HH2 ARG 71 -9.184 -13.611 -12.709 587 1HH2 ARG 71 1HH1 ARG 71 -8.420 -14.097 -16.048 588 2HH2 ARG 71 2HH1 ARG 71 -9.258 -14.709 -14.660 589 H ASP 72 H ASP 72 -3.550 -11.967 -12.537 590 HA ASP 72 HA ASP 72 -1.270 -12.036 -10.654 591 1HB ASP 72 2HB ASP 72 -2.126 -13.608 -13.042 592 2HB ASP 72 1HB ASP 72 -0.400 -13.536 -12.685 593 H THR 73 H THR 73 -2.189 -10.511 -13.666 594 HA THR 73 HA THR 73 0.406 -9.946 -14.699 595 HB THR 73 HB THR 73 -1.818 -9.607 -15.893 596 HG1 THR 73 1HG THR 73 -0.595 -8.521 -17.173 597 1HG2 THR 73 1HG2 THR 73 -1.904 -6.823 -14.826 598 2HG2 THR 73 2HG2 THR 73 -2.557 -8.094 -13.792 599 3HG2 THR 73 3HG2 THR 73 -3.219 -7.845 -15.409 600 H ALA 74 H ALA 74 0.459 -7.112 -14.890 601 HA ALA 74 HA ALA 74 1.765 -6.444 -12.387 602 1HB ALA 74 1HB ALA 74 2.621 -5.471 -14.420 603 2HB ALA 74 2HB ALA 74 1.926 -4.155 -13.474 604 3HB ALA 74 3HB ALA 74 1.035 -4.824 -14.842 605 H ASP 75 H ASP 75 -0.397 -7.029 -11.229 606 HA ASP 75 HA ASP 75 -2.517 -5.030 -11.339 607 1HB ASP 75 2HB ASP 75 -1.941 -7.458 -9.671 608 2HB ASP 75 1HB ASP 75 -3.168 -6.309 -9.134 609 H MET 76 H MET 76 -0.204 -5.982 -8.770 610 HA MET 76 HA MET 76 -0.780 -3.758 -7.079 611 1HB MET 76 2HB MET 76 0.388 -5.744 -6.243 612 2HB MET 76 1HB MET 76 1.744 -5.425 -7.314 613 1HG MET 76 2HG MET 76 2.178 -4.684 -4.968 614 2HG MET 76 1HG MET 76 2.267 -3.367 -6.124 615 1HE MET 76 1HE MET 76 0.834 -3.165 -2.366 616 2HE MET 76 2HE MET 76 1.447 -4.614 -3.155 617 3HE MET 76 3HE MET 76 -0.268 -4.473 -2.800 618 H ILE 77 H ILE 77 1.661 -4.200 -9.629 619 HA ILE 77 HA ILE 77 2.974 -1.689 -9.190 620 HB ILE 77 HB ILE 77 2.786 -3.305 -11.747 621 1HG1 ILE 77 2HG1 ILE 77 5.248 -3.790 -10.599 622 2HG1 ILE 77 1HG1 ILE 77 4.208 -3.697 -9.183 623 1HG2 ILE 77 1HG2 ILE 77 3.858 -1.456 -12.540 624 2HG2 ILE 77 2HG2 ILE 77 5.253 -2.118 -11.690 625 3HG2 ILE 77 3HG2 ILE 77 4.263 -0.875 -10.925 626 1HD1 ILE 77 1HD1 ILE 77 3.135 -5.262 -11.462 627 2HD1 ILE 77 2HD1 ILE 77 3.071 -5.600 -9.732 628 3HD1 ILE 77 3HD1 ILE 77 4.536 -5.958 -10.647 629 H GLN 78 H GLN 78 -0.037 -2.484 -10.731 630 HA GLN 78 HA GLN 78 -0.174 -0.142 -12.433 631 1HB GLN 78 2HB GLN 78 -1.678 -2.463 -12.134 632 2HB GLN 78 1HB GLN 78 -2.757 -1.208 -11.532 633 1HG GLN 78 2HG GLN 78 -3.062 -1.523 -13.955 634 2HG GLN 78 1HG GLN 78 -2.418 0.082 -13.615 635 1HE2 GLN 78 1HE2 GLN 78 -0.679 -3.072 -13.746 636 2HE2 GLN 78 2HE2 GLN 78 0.390 -2.599 -14.976 637 H LEU 79 H LEU 79 -2.311 -0.840 -9.634 638 HA LEU 79 HA LEU 79 -2.895 1.918 -9.266 639 1HB LEU 79 2HB LEU 79 -4.067 1.349 -7.280 640 2HB LEU 79 1HB LEU 79 -4.306 0.023 -8.399 641 HG LEU 79 HG LEU 79 -3.932 -0.977 -6.292 642 1HD1 LEU 79 1HD1 LEU 79 -2.654 -2.093 -8.028 643 2HD1 LEU 79 2HD1 LEU 79 -1.766 -2.146 -6.504 644 3HD1 LEU 79 3HD1 LEU 79 -1.297 -1.008 -7.756 645 1HD2 LEU 79 1HD2 LEU 79 -2.794 1.270 -5.475 646 2HD2 LEU 79 2HD2 LEU 79 -1.316 0.365 -5.787 647 3HD2 LEU 79 3HD2 LEU 79 -2.505 -0.255 -4.644 648 H ILE 80 H ILE 80 -0.032 0.209 -8.462 649 HA ILE 80 HA ILE 80 0.767 1.875 -6.226 650 HB ILE 80 HB ILE 80 2.103 -0.128 -8.029 651 1HG1 ILE 80 2HG1 ILE 80 0.884 -0.748 -5.926 652 2HG1 ILE 80 1HG1 ILE 80 2.571 -1.249 -5.938 653 1HG2 ILE 80 1HG2 ILE 80 3.798 1.631 -7.965 654 2HG2 ILE 80 2HG2 ILE 80 4.303 0.295 -6.933 655 3HG2 ILE 80 3HG2 ILE 80 3.637 1.760 -6.213 656 1HD1 ILE 80 1HD1 ILE 80 3.139 0.168 -4.242 657 2HD1 ILE 80 2HD1 ILE 80 1.419 0.087 -3.872 658 3HD1 ILE 80 3HD1 ILE 80 2.059 1.440 -4.803 659 H LYS 81 H LYS 81 1.261 1.882 -9.753 660 HA LYS 81 HA LYS 81 2.885 4.297 -9.732 661 1HB LYS 81 2HB LYS 81 1.972 2.370 -11.674 662 2HB LYS 81 1HB LYS 81 1.606 3.989 -12.265 663 1HG LYS 81 2HG LYS 81 3.767 3.986 -12.973 664 2HG LYS 81 1HG LYS 81 4.143 4.338 -11.287 665 1HD LYS 81 2HD LYS 81 5.506 2.477 -11.768 666 2HD LYS 81 1HD LYS 81 4.108 1.761 -10.965 667 1HE LYS 81 2HE LYS 81 4.434 0.413 -12.887 668 2HE LYS 81 1HE LYS 81 3.112 1.494 -13.329 669 1HZ LYS 81 1HZ LYS 81 4.538 1.635 -15.125 670 2HZ LYS 81 2HZ LYS 81 5.939 1.588 -14.164 671 3HZ LYS 81 3HZ LYS 81 4.982 2.991 -14.207 672 H GLU 82 H GLU 82 -0.543 3.563 -9.925 673 HA GLU 82 HA GLU 82 -1.454 6.113 -10.853 674 1HB GLU 82 2HB GLU 82 -2.666 3.738 -10.356 675 2HB GLU 82 1HB GLU 82 -3.158 4.639 -8.918 676 1HG GLU 82 2HG GLU 82 -3.427 5.789 -11.702 677 2HG GLU 82 1HG GLU 82 -4.705 4.831 -10.953 678 H PHE 83 H PHE 83 -1.404 4.807 -7.504 679 HA PHE 83 HA PHE 83 -2.062 7.287 -6.248 680 1HB PHE 83 2HB PHE 83 -0.608 4.827 -5.248 681 2HB PHE 83 1HB PHE 83 -0.974 6.201 -4.205 682 HD1 PHE 83 1HD PHE 83 -2.145 3.091 -5.252 683 HD2 PHE 83 2HD PHE 83 -3.525 7.077 -4.487 684 HE1 PHE 83 1HE PHE 83 -4.448 2.224 -4.936 685 HE2 PHE 83 2HE PHE 83 -5.829 6.213 -4.170 686 HZ PHE 83 HZ PHE 83 -6.289 3.790 -4.394 687 H ASP 84 H ASP 84 0.988 5.956 -7.382 688 HA ASP 84 HA ASP 84 2.756 7.720 -5.984 689 1HB ASP 84 2HB ASP 84 3.205 5.606 -7.534 690 2HB ASP 84 1HB ASP 84 3.380 6.841 -8.778 691 H ALA 85 H ALA 85 0.878 8.045 -8.938 692 HA ALA 85 HA ALA 85 2.107 10.561 -9.740 693 1HB ALA 85 1HB ALA 85 0.409 10.618 -11.462 694 2HB ALA 85 2HB ALA 85 -0.563 9.420 -10.606 695 3HB ALA 85 3HB ALA 85 0.981 8.955 -11.323 696 H GLN 86 H GLN 86 -0.519 9.624 -7.626 697 HA GLN 86 HA GLN 86 -1.729 12.284 -7.613 698 1HB GLN 86 2HB GLN 86 -2.369 9.633 -6.589 699 2HB GLN 86 1HB GLN 86 -2.652 10.872 -5.371 700 1HG GLN 86 2HG GLN 86 -4.150 12.068 -6.789 701 2HG GLN 86 1HG GLN 86 -3.656 11.142 -8.208 702 1HE2 GLN 86 1HE2 GLN 86 -3.968 8.583 -7.756 703 2HE2 GLN 86 2HE2 GLN 86 -5.474 8.173 -7.090 704 H GLY 87 H GLY 87 1.155 11.273 -6.389 705 1HA GLY 87 2HA GLY 87 2.579 12.282 -4.817 706 2HA GLY 87 1HA GLY 87 1.312 13.470 -4.510 707 H VAL 88 H VAL 88 0.772 10.013 -4.273 708 HA VAL 88 HA VAL 88 0.470 10.331 -1.314 709 HB VAL 88 HB VAL 88 -1.034 8.489 -3.202 710 1HG1 VAL 88 1HG1 VAL 88 -2.459 8.147 -1.112 711 2HG1 VAL 88 2HG1 VAL 88 -1.149 8.906 -0.206 712 3HG1 VAL 88 3HG1 VAL 88 -0.863 7.398 -1.074 713 1HG2 VAL 88 1HG2 VAL 88 -1.768 11.052 -1.766 714 2HG2 VAL 88 2HG2 VAL 88 -2.979 9.944 -2.416 715 3HG2 VAL 88 3HG2 VAL 88 -1.831 10.730 -3.500 716 H SER 89 H SER 89 1.192 8.586 -0.013 717 HA SER 89 HA SER 89 3.209 6.854 -1.355 718 1HB SER 89 2HB SER 89 2.982 8.116 1.327 719 2HB SER 89 1HB SER 89 3.707 6.511 1.282 720 HG SER 89 HG SER 89 5.410 7.353 0.389 721 H ILE 90 H ILE 90 3.302 4.589 -0.744 722 HA ILE 90 HA ILE 90 0.763 3.555 0.450 723 HB ILE 90 HB ILE 90 2.311 2.258 -1.814 724 1HG1 ILE 90 2HG1 ILE 90 -0.291 3.831 -1.854 725 2HG1 ILE 90 1HG1 ILE 90 1.242 4.376 -2.528 726 1HG2 ILE 90 1HG2 ILE 90 -0.449 1.678 -0.695 727 2HG2 ILE 90 2HG2 ILE 90 1.001 0.774 -0.258 728 3HG2 ILE 90 3HG2 ILE 90 0.414 0.748 -1.921 729 1HD1 ILE 90 1HD1 ILE 90 0.379 1.719 -3.475 730 2HD1 ILE 90 2HD1 ILE 90 1.019 3.085 -4.386 731 3HD1 ILE 90 3HD1 ILE 90 -0.685 3.041 -3.943 732 H ARG 91 H ARG 91 1.338 2.713 2.376 733 HA ARG 91 HA ARG 91 4.038 1.679 2.852 734 1HB ARG 91 2HB ARG 91 1.625 1.615 4.686 735 2HB ARG 91 1HB ARG 91 3.314 1.426 5.153 736 1HG ARG 91 2HG ARG 91 3.641 3.765 4.065 737 2HG ARG 91 1HG ARG 91 1.889 3.904 4.205 738 1HD ARG 91 2HD ARG 91 2.922 4.868 6.191 739 2HD ARG 91 1HD ARG 91 2.082 3.383 6.639 740 HE ARG 91 HE ARG 91 4.844 2.849 5.992 741 1HH1 ARG 91 1HH2 ARG 91 2.752 4.125 8.486 742 2HH1 ARG 91 2HH2 ARG 91 3.854 3.723 9.756 743 1HH2 ARG 91 1HH1 ARG 91 6.240 2.347 7.666 744 2HH2 ARG 91 2HH1 ARG 91 5.808 2.727 9.299 745 H PHE 92 H PHE 92 4.573 -0.365 2.313 746 HA PHE 92 HA PHE 92 2.476 -2.403 1.904 747 1HB PHE 92 2HB PHE 92 5.428 -2.223 1.357 748 2HB PHE 92 1HB PHE 92 4.642 -3.800 1.382 749 HD1 PHE 92 1HD PHE 92 3.577 -0.410 0.145 750 HD2 PHE 92 2HD PHE 92 4.248 -4.551 -0.786 751 HE1 PHE 92 1HE PHE 92 2.748 -0.028 -2.159 752 HE2 PHE 92 2HE PHE 92 3.420 -4.166 -3.087 753 HZ PHE 92 HZ PHE 92 2.670 -1.907 -3.775 754 H ILE 93 H ILE 93 1.974 -3.928 3.414 755 HA ILE 93 HA ILE 93 3.047 -3.831 6.064 756 HB ILE 93 HB ILE 93 0.787 -4.697 5.534 757 1HG1 ILE 93 2HG1 ILE 93 0.904 -6.740 6.983 758 2HG1 ILE 93 1HG1 ILE 93 2.663 -6.667 6.875 759 1HG2 ILE 93 1HG2 ILE 93 0.598 -7.016 4.620 760 2HG2 ILE 93 2HG2 ILE 93 2.332 -7.001 4.306 761 3HG2 ILE 93 3HG2 ILE 93 1.273 -5.876 3.456 762 1HD1 ILE 93 1HD1 ILE 93 1.051 -4.288 7.797 763 2HD1 ILE 93 2HD1 ILE 93 2.766 -4.614 8.047 764 3HD1 ILE 93 3HD1 ILE 93 1.553 -5.548 8.924 765 H ASP 94 H ASP 94 3.963 -5.655 3.215 766 HA ASP 94 HA ASP 94 5.680 -7.512 4.685 767 1HB ASP 94 2HB ASP 94 4.976 -7.013 1.831 768 2HB ASP 94 1HB ASP 94 6.519 -7.805 2.155 769 H ASP 95 H ASP 95 6.027 -4.351 3.233 770 HA ASP 95 HA ASP 95 8.967 -4.499 3.778 771 1HB ASP 95 2HB ASP 95 7.900 -4.116 1.318 772 2HB ASP 95 1HB ASP 95 7.966 -2.445 1.878 773 H GLY 96 H GLY 96 6.566 -1.908 3.186 774 1HA GLY 96 2HA GLY 96 6.051 -0.753 5.536 775 2HA GLY 96 1HA GLY 96 7.767 -0.364 5.411 776 H ILE 97 H ILE 97 7.626 -0.119 2.463 777 HA ILE 97 HA ILE 97 6.035 2.388 2.247 778 HB ILE 97 HB ILE 97 7.887 3.322 0.864 779 1HG1 ILE 97 2HG1 ILE 97 9.405 0.867 1.814 780 2HG1 ILE 97 1HG1 ILE 97 8.813 1.101 0.170 781 1HG2 ILE 97 1HG2 ILE 97 7.731 3.775 3.307 782 2HG2 ILE 97 2HG2 ILE 97 9.402 3.770 2.738 783 3HG2 ILE 97 3HG2 ILE 97 8.762 2.377 3.612 784 1HD1 ILE 97 1HD1 ILE 97 10.303 2.865 -0.254 785 2HD1 ILE 97 2HD1 ILE 97 11.279 1.759 0.712 786 3HD1 ILE 97 3HD1 ILE 97 10.561 3.184 1.462 787 H SER 98 H SER 98 6.400 2.959 -0.398 788 HA SER 98 HA SER 98 4.682 1.111 -1.728 789 1HB SER 98 2HB SER 98 6.547 2.846 -3.301 790 2HB SER 98 1HB SER 98 4.834 2.526 -3.559 791 HG SER 98 HG SER 98 4.462 4.260 -2.450 792 H THR 99 H THR 99 5.155 -0.432 -3.368 793 HA THR 99 HA THR 99 7.569 -1.960 -2.970 794 HB THR 99 HB THR 99 5.567 -3.118 -3.672 795 HG1 THR 99 1HG THR 99 6.539 -4.340 -5.113 796 1HG2 THR 99 1HG2 THR 99 4.111 -2.215 -5.127 797 2HG2 THR 99 2HG2 THR 99 5.334 -2.216 -6.397 798 3HG2 THR 99 3HG2 THR 99 5.194 -0.835 -5.312 799 H ASP 100 H ASP 100 9.098 -0.156 -3.373 800 HA ASP 100 HA ASP 100 9.354 0.913 -6.069 801 1HB ASP 100 2HB ASP 100 10.078 2.139 -4.014 802 2HB ASP 100 1HB ASP 100 11.355 0.941 -3.791 803 H GLY 101 H GLY 101 9.338 -1.365 -7.009 804 1HA GLY 101 2HA GLY 101 10.592 -2.898 -8.287 805 2HA GLY 101 1HA GLY 101 12.063 -2.126 -7.694 806 H GLU 102 H GLU 102 9.356 -3.900 -6.157 807 HA GLU 102 HA GLU 102 11.412 -5.603 -4.800 808 1HB GLU 102 2HB GLU 102 8.793 -4.514 -3.736 809 2HB GLU 102 1HB GLU 102 9.711 -5.787 -2.932 810 1HG GLU 102 2HG GLU 102 10.912 -3.107 -3.660 811 2HG GLU 102 1HG GLU 102 10.171 -3.431 -2.093 812 H MET 103 H MET 103 11.164 -7.153 -6.548 813 HA MET 103 HA MET 103 8.504 -8.419 -6.832 814 1HB MET 103 2HB MET 103 11.057 -8.446 -8.388 815 2HB MET 103 1HB MET 103 10.000 -9.855 -8.506 816 1HG MET 103 2HG MET 103 9.000 -7.026 -8.893 817 2HG MET 103 1HG MET 103 9.576 -8.025 -10.227 818 1HE MET 103 1HE MET 103 7.136 -7.154 -10.965 819 2HE MET 103 2HE MET 103 5.996 -8.487 -11.138 820 3HE MET 103 3HE MET 103 7.651 -8.672 -11.710 821 H GLY 104 H GLY 104 11.849 -9.648 -6.464 822 1HA GLY 104 2HA GLY 104 11.621 -11.057 -4.094 823 2HA GLY 104 1HA GLY 104 10.908 -12.140 -5.291 824 H LYS 105 H LYS 105 12.312 -12.495 -7.295 825 HA LYS 105 HA LYS 105 15.219 -12.392 -6.622 826 1HB LYS 105 2HB LYS 105 14.183 -14.672 -6.171 827 2HB LYS 105 1HB LYS 105 13.874 -14.783 -7.904 828 1HG LYS 105 2HG LYS 105 16.229 -14.620 -8.408 829 2HG LYS 105 1HG LYS 105 16.614 -14.259 -6.725 830 1HD LYS 105 2HD LYS 105 15.224 -16.820 -7.511 831 2HD LYS 105 1HD LYS 105 16.982 -16.687 -7.512 832 1HE LYS 105 2HE LYS 105 16.891 -15.947 -5.132 833 2HE LYS 105 1HE LYS 105 15.147 -16.205 -5.145 834 1HZ LYS 105 1HZ LYS 105 15.682 -18.539 -5.890 835 2HZ LYS 105 2HZ LYS 105 16.074 -18.159 -4.281 836 3HZ LYS 105 3HZ LYS 105 17.292 -18.219 -5.464
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