NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27049 | 2out | 6780 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 28.481 0.699 9.208 2 2H GLY 1 2HT GLY 1 28.056 1.195 10.768 3 3H GLY 1 3HT GLY 1 28.704 2.309 9.674 4 1HA GLY 1 1HA GLY 1 26.776 2.183 8.279 5 2HA GLY 1 2HA GLY 1 26.118 0.908 9.293 6 H SER 2 H SER 2 24.880 1.448 10.996 7 HA SER 2 HA SER 2 24.903 4.239 11.906 8 1HB SER 2 2HB SER 2 22.275 3.724 12.139 9 2HB SER 2 1HB SER 2 22.977 4.455 10.695 10 HG SER 2 HG SER 2 21.561 2.582 10.361 11 H HIS 3 H HIS 3 24.064 4.566 14.040 12 HA HIS 3 HA HIS 3 23.504 2.241 15.675 13 1HB HIS 3 2HB HIS 3 25.306 2.667 17.272 14 2HB HIS 3 1HB HIS 3 25.966 2.325 15.675 15 HD1 HIS 3 1HD HIS 3 26.032 4.950 14.308 16 HD2 HIS 3 2HD HIS 3 26.876 4.570 18.358 17 HE1 HIS 3 1HE HIS 3 27.400 6.975 14.902 18 HE2 HIS 3 2HE HIS 3 27.958 6.688 17.342 19 H MET 4 H MET 4 23.010 2.895 17.960 20 HA MET 4 HA MET 4 21.755 4.111 19.416 21 1HB MET 4 2HB MET 4 23.750 5.893 18.363 22 2HB MET 4 1HB MET 4 22.269 6.789 18.670 23 1HG MET 4 2HG MET 4 22.250 5.871 20.971 24 2HG MET 4 1HG MET 4 23.808 5.117 20.640 25 1HE MET 4 1HE MET 4 21.787 8.162 20.332 26 2HE MET 4 2HE MET 4 22.949 9.467 20.096 27 3HE MET 4 3HE MET 4 22.422 9.039 21.724 28 H ASP 5 H ASP 5 20.647 3.396 16.803 29 HA ASP 5 HA ASP 5 18.236 4.914 16.963 30 1HB ASP 5 2HB ASP 5 18.278 5.810 14.662 31 2HB ASP 5 1HB ASP 5 19.536 6.519 15.669 32 H LYS 6 H LYS 6 16.539 4.031 15.687 33 HA LYS 6 HA LYS 6 17.131 1.316 14.714 34 1HB LYS 6 2HB LYS 6 15.034 2.414 16.406 35 2HB LYS 6 1HB LYS 6 14.372 1.510 15.051 36 1HG LYS 6 2HG LYS 6 14.662 -0.303 16.299 37 2HG LYS 6 1HG LYS 6 16.387 -0.126 15.973 38 1HD LYS 6 2HD LYS 6 16.594 1.273 17.997 39 2HD LYS 6 1HD LYS 6 14.882 1.003 18.333 40 1HE LYS 6 2HE LYS 6 16.387 -1.459 17.876 41 2HE LYS 6 1HE LYS 6 16.962 -0.531 19.261 42 1HZ LYS 6 1HZ LYS 6 14.113 -1.245 18.844 43 2HZ LYS 6 2HZ LYS 6 14.819 -0.600 20.241 44 3HZ LYS 6 3HZ LYS 6 15.183 -2.181 19.762 45 H THR 7 H THR 7 17.738 2.237 12.636 46 HA THR 7 HA THR 7 15.424 3.113 11.030 47 HB THR 7 HB THR 7 17.182 4.770 11.099 48 HG1 THR 7 1HG THR 7 16.299 3.656 8.886 49 1HG2 THR 7 1HG2 THR 7 18.918 2.504 10.940 50 2HG2 THR 7 2HG2 THR 7 19.300 4.185 11.321 51 3HG2 THR 7 3HG2 THR 7 19.278 3.643 9.642 52 H PHE 8 H PHE 8 14.755 1.844 9.407 53 HA PHE 8 HA PHE 8 16.572 -0.104 8.225 54 1HB PHE 8 2HB PHE 8 14.467 -1.750 8.520 55 2HB PHE 8 1HB PHE 8 15.803 -1.675 9.665 56 HD1 PHE 8 2HD PHE 8 15.566 -0.312 11.734 57 HD2 PHE 8 1HD PHE 8 12.283 -1.125 9.137 58 HE1 PHE 8 2HE PHE 8 13.998 0.268 13.541 59 HE2 PHE 8 1HE PHE 8 10.715 -0.539 10.947 60 HZ PHE 8 HZ PHE 8 11.570 0.156 13.146 61 H CYS 9 H CYS 9 15.873 -0.987 6.238 62 HA CYS 9 HA CYS 9 13.834 0.643 4.877 63 1HB CYS 9 2HB CYS 9 14.838 -0.337 2.791 64 2HB CYS 9 1HB CYS 9 15.957 0.641 3.733 65 HG CYS 9 HG CYS 9 16.183 -2.363 4.255 66 H VAL 10 H VAL 10 11.877 -0.275 4.544 67 HA VAL 10 HA VAL 10 11.659 -3.201 4.793 68 HB VAL 10 HB VAL 10 10.316 -1.236 6.183 69 1HG1 VAL 10 1HG1 VAL 10 8.965 -0.864 4.060 70 2HG1 VAL 10 2HG1 VAL 10 8.061 -1.154 5.544 71 3HG1 VAL 10 3HG1 VAL 10 8.259 -2.450 4.365 72 1HG2 VAL 10 1HG2 VAL 10 8.865 -3.758 6.025 73 2HG2 VAL 10 2HG2 VAL 10 9.652 -2.983 7.398 74 3HG2 VAL 10 3HG2 VAL 10 10.600 -3.937 6.264 75 H VAL 11 H VAL 11 10.129 -4.321 3.460 76 HA VAL 11 HA VAL 11 9.339 -2.897 1.036 77 HB VAL 11 HB VAL 11 11.351 -3.934 0.396 78 1HG1 VAL 11 1HG1 VAL 11 11.789 -5.451 2.111 79 2HG1 VAL 11 2HG1 VAL 11 11.633 -6.438 0.656 80 3HG1 VAL 11 3HG1 VAL 11 10.304 -6.355 1.812 81 1HG2 VAL 11 1HG2 VAL 11 9.051 -5.661 -0.518 82 2HG2 VAL 11 2HG2 VAL 11 10.628 -5.571 -1.302 83 3HG2 VAL 11 3HG2 VAL 11 9.586 -4.150 -1.255 84 H VAL 12 H VAL 12 7.382 -3.393 0.274 85 HA VAL 12 HA VAL 12 5.816 -5.386 1.754 86 HB VAL 12 HB VAL 12 3.854 -4.192 0.722 87 1HG1 VAL 12 1HG1 VAL 12 4.563 -1.967 2.090 88 2HG1 VAL 12 2HG1 VAL 12 5.724 -3.133 2.723 89 3HG1 VAL 12 3HG1 VAL 12 3.993 -3.455 2.843 90 1HG2 VAL 12 1HG2 VAL 12 4.109 -2.580 -0.794 91 2HG2 VAL 12 2HG2 VAL 12 5.800 -3.068 -0.901 92 3HG2 VAL 12 3HG2 VAL 12 5.327 -1.759 0.181 93 H GLN 13 H GLN 13 5.823 -7.320 0.778 94 HA GLN 13 HA GLN 13 5.769 -7.483 -2.134 95 1HB GLN 13 2HB GLN 13 7.185 -8.979 -0.541 96 2HB GLN 13 1HB GLN 13 5.680 -9.853 -0.290 97 1HG GLN 13 2HG GLN 13 6.395 -9.358 -3.097 98 2HG GLN 13 1HG GLN 13 7.476 -10.434 -2.212 99 1HE2 GLN 13 1HE2 GLN 13 6.077 -11.969 -0.708 100 2HE2 GLN 13 2HE2 GLN 13 4.837 -12.823 -1.556 101 H ASN 14 H ASN 14 3.809 -7.147 -2.977 102 HA ASN 14 HA ASN 14 1.506 -8.475 -1.708 103 1HB ASN 14 2HB ASN 14 1.391 -6.006 -1.676 104 2HB ASN 14 1HB ASN 14 1.515 -5.988 -3.430 105 1HD2 ASN 14 1HD2 ASN 14 -0.429 -4.952 -3.652 106 2HD2 ASN 14 2HD2 ASN 14 -1.937 -5.748 -3.400 107 H ARG 15 H ARG 15 0.018 -9.546 -2.984 108 HA ARG 15 HA ARG 15 0.734 -9.925 -5.811 109 1HB ARG 15 2HB ARG 15 1.348 -11.832 -4.100 110 2HB ARG 15 1HB ARG 15 -0.364 -12.210 -4.221 111 1HG ARG 15 2HG ARG 15 -0.201 -12.919 -6.380 112 2HG ARG 15 1HG ARG 15 1.172 -11.869 -6.738 113 1HD ARG 15 2HD ARG 15 2.525 -13.343 -5.185 114 2HD ARG 15 1HD ARG 15 1.163 -14.462 -5.213 115 HE ARG 15 HE ARG 15 1.681 -14.067 -7.835 116 1HH1 ARG 15 1HH1 ARG 15 3.689 -14.966 -5.126 117 2HH1 ARG 15 2HH1 ARG 15 4.784 -15.901 -6.087 118 1HH2 ARG 15 1HH2 ARG 15 3.121 -15.295 -9.102 119 2HH2 ARG 15 2HH2 ARG 15 4.462 -16.087 -8.345 120 H ILE 16 H ILE 16 -1.205 -8.182 -4.698 121 HA ILE 16 HA ILE 16 -3.800 -9.421 -5.006 122 HB ILE 16 HB ILE 16 -2.836 -6.683 -4.283 123 1HG1 ILE 16 2HG1 ILE 16 -4.903 -8.280 -2.832 124 2HG1 ILE 16 1HG1 ILE 16 -3.203 -8.722 -2.696 125 1HG2 ILE 16 1HG2 ILE 16 -5.422 -7.324 -5.500 126 2HG2 ILE 16 2HG2 ILE 16 -4.564 -5.787 -5.377 127 3HG2 ILE 16 3HG2 ILE 16 -5.500 -6.386 -4.008 128 1HD1 ILE 16 1HD1 ILE 16 -3.560 -5.892 -2.305 129 2HD1 ILE 16 2HD1 ILE 16 -2.833 -7.096 -1.240 130 3HD1 ILE 16 3HD1 ILE 16 -4.574 -6.823 -1.203 131 H LYS 17 H LYS 17 -2.865 -6.298 -6.401 132 HA LYS 17 HA LYS 17 -3.068 -7.229 -9.109 133 1HB LYS 17 2HB LYS 17 -4.973 -5.767 -9.708 134 2HB LYS 17 1HB LYS 17 -5.436 -7.062 -8.615 135 1HG LYS 17 2HG LYS 17 -5.808 -5.626 -6.863 136 2HG LYS 17 1HG LYS 17 -4.715 -4.398 -7.504 137 1HD LYS 17 2HD LYS 17 -6.841 -3.493 -7.842 138 2HD LYS 17 1HD LYS 17 -6.411 -4.168 -9.414 139 1HE LYS 17 2HE LYS 17 -7.973 -5.811 -9.290 140 2HE LYS 17 1HE LYS 17 -7.836 -5.958 -7.538 141 1HZ LYS 17 1HZ LYS 17 -9.973 -4.986 -8.497 142 2HZ LYS 17 2HZ LYS 17 -9.074 -3.580 -8.776 143 3HZ LYS 17 3HZ LYS 17 -9.255 -4.167 -7.201 144 H GLU 18 H GLU 18 -3.343 -4.940 -10.506 145 HA GLU 18 HA GLU 18 -1.127 -3.304 -9.481 146 1HB GLU 18 2HB GLU 18 -2.161 -3.178 -12.298 147 2HB GLU 18 1HB GLU 18 -0.563 -2.768 -11.687 148 1HG GLU 18 2HG GLU 18 -0.711 -5.413 -11.078 149 2HG GLU 18 1HG GLU 18 -1.645 -5.341 -12.570 150 H GLY 19 H GLY 19 -3.862 -3.011 -8.564 151 1HA GLY 19 2HA GLY 19 -4.132 -0.164 -9.088 152 2HA GLY 19 1HA GLY 19 -5.497 -1.159 -9.569 153 H TYR 20 H TYR 20 -3.660 -2.112 -6.789 154 HA TYR 20 HA TYR 20 -5.978 -1.797 -5.123 155 1HB TYR 20 2HB TYR 20 -4.652 -2.841 -3.364 156 2HB TYR 20 1HB TYR 20 -4.486 -3.747 -4.862 157 HD1 TYR 20 2HD TYR 20 -2.371 -3.407 -6.235 158 HD2 TYR 20 1HD TYR 20 -2.773 -2.021 -2.236 159 HE1 TYR 20 2HE TYR 20 0.076 -3.275 -6.044 160 HE2 TYR 20 1HE TYR 20 -0.326 -1.886 -2.030 161 HH TYR 20 HH TYR 20 1.775 -3.362 -4.107 162 H ARG 21 H ARG 21 -3.325 0.144 -5.952 163 HA ARG 21 HA ARG 21 -2.613 2.187 -5.252 164 1HB ARG 21 2HB ARG 21 -5.365 2.236 -4.010 165 2HB ARG 21 1HB ARG 21 -4.341 3.646 -4.254 166 1HG ARG 21 2HG ARG 21 -5.588 1.904 -6.359 167 2HG ARG 21 1HG ARG 21 -5.983 3.580 -5.976 168 1HD ARG 21 2HD ARG 21 -3.198 3.424 -6.526 169 2HD ARG 21 1HD ARG 21 -4.060 2.585 -7.814 170 HE ARG 21 HE ARG 21 -4.044 5.407 -7.285 171 1HH1 ARG 21 1HH1 ARG 21 -5.849 2.789 -8.721 172 2HH1 ARG 21 2HH1 ARG 21 -6.712 3.817 -9.815 173 1HH2 ARG 21 1HH2 ARG 21 -5.172 6.760 -8.724 174 2HH2 ARG 21 2HH2 ARG 21 -6.326 6.073 -9.818 175 H ARG 22 H ARG 22 -2.779 3.704 -3.130 176 HA ARG 22 HA ARG 22 -2.729 2.410 -0.632 177 1HB ARG 22 2HB ARG 22 -0.411 2.001 -2.125 178 2HB ARG 22 1HB ARG 22 0.015 3.294 -1.014 179 1HG ARG 22 2HG ARG 22 -1.426 1.146 0.301 180 2HG ARG 22 1HG ARG 22 0.054 0.589 -0.477 181 1HD ARG 22 2HD ARG 22 1.014 1.250 1.450 182 2HD ARG 22 1HD ARG 22 0.943 2.847 0.705 183 HE ARG 22 HE ARG 22 -1.407 2.137 2.214 184 1HH1 ARG 22 1HH1 ARG 22 1.768 3.580 2.345 185 2HH1 ARG 22 2HH1 ARG 22 1.421 4.518 3.758 186 1HH2 ARG 22 1HH2 ARG 22 -1.865 3.370 4.072 187 2HH2 ARG 22 2HH2 ARG 22 -0.642 4.399 4.739 188 H ALA 23 H ALA 23 -0.692 4.172 0.525 189 HA ALA 23 HA ALA 23 -2.131 6.307 1.354 190 1HB ALA 23 1HB ALA 23 0.723 5.692 1.187 191 2HB ALA 23 2HB ALA 23 -0.227 6.323 2.532 192 3HB ALA 23 3HB ALA 23 0.360 7.415 1.278 193 H GLY 24 H GLY 24 -0.505 5.997 -1.728 194 1HA GLY 24 2HA GLY 24 -1.820 7.519 -3.370 195 2HA GLY 24 1HA GLY 24 -1.133 8.796 -2.377 196 H PHE 25 H PHE 25 0.298 5.764 -3.525 197 HA PHE 25 HA PHE 25 2.258 7.349 -5.047 198 1HB PHE 25 2HB PHE 25 2.894 4.860 -3.459 199 2HB PHE 25 1HB PHE 25 4.037 5.899 -4.306 200 HD1 PHE 25 1HD PHE 25 4.673 8.050 -3.392 201 HD2 PHE 25 2HD PHE 25 1.961 5.491 -1.330 202 HE1 PHE 25 1HE PHE 25 4.992 9.372 -1.344 203 HE2 PHE 25 2HE PHE 25 2.282 6.814 0.724 204 HZ PHE 25 HZ PHE 25 3.796 8.755 0.718 205 H SER 26 H SER 26 -0.218 5.726 -5.748 206 HA SER 26 HA SER 26 -0.904 4.176 -7.278 207 1HB SER 26 2HB SER 26 1.450 4.453 -9.005 208 2HB SER 26 1HB SER 26 -0.246 4.801 -9.341 209 HG SER 26 HG SER 26 1.742 6.462 -8.279 210 H PHE 27 H PHE 27 0.334 2.947 -5.177 211 HA PHE 27 HA PHE 27 2.490 1.309 -5.597 212 1HB PHE 27 2HB PHE 27 0.029 1.098 -3.940 213 2HB PHE 27 1HB PHE 27 1.006 -0.352 -4.123 214 HD1 PHE 27 2HD PHE 27 2.607 2.924 -4.165 215 HD2 PHE 27 1HD PHE 27 1.489 -0.391 -1.736 216 HE1 PHE 27 2HE PHE 27 4.109 3.722 -2.388 217 HE2 PHE 27 1HE PHE 27 2.982 0.411 0.044 218 HZ PHE 27 HZ PHE 27 4.298 2.464 -0.280 219 H HIS 28 H HIS 28 2.926 -0.060 -7.191 220 HA HIS 28 HA HIS 28 0.799 -1.269 -8.747 221 1HB HIS 28 2HB HIS 28 3.774 -1.038 -9.025 222 2HB HIS 28 1HB HIS 28 2.902 -2.243 -9.965 223 HD1 HIS 28 1HD HIS 28 0.520 -0.832 -11.000 224 HD2 HIS 28 2HD HIS 28 4.202 1.064 -10.660 225 HE1 HIS 28 1HE HIS 28 0.433 1.098 -12.608 226 HE2 HIS 28 2HE HIS 28 2.710 2.168 -12.460 227 H LEU 29 H LEU 29 1.220 -3.625 -9.442 228 HA LEU 29 HA LEU 29 1.138 -5.230 -7.077 229 1HB LEU 29 2HB LEU 29 -0.228 -5.627 -9.158 230 2HB LEU 29 1HB LEU 29 1.238 -6.185 -9.935 231 HG LEU 29 HG LEU 29 1.299 -8.155 -8.742 232 1HD1 LEU 29 1HD1 LEU 29 1.370 -7.527 -6.517 233 2HD1 LEU 29 2HD1 LEU 29 -0.154 -8.409 -6.618 234 3HD1 LEU 29 3HD1 LEU 29 -0.155 -6.647 -6.609 235 1HD2 LEU 29 1HD2 LEU 29 -1.140 -7.459 -9.863 236 2HD2 LEU 29 2HD2 LEU 29 -1.558 -8.171 -8.304 237 3HD2 LEU 29 3HD2 LEU 29 -0.587 -9.085 -9.460 238 H GLY 30 H GLY 30 3.048 -5.419 -6.047 239 1HA GLY 30 2HA GLY 30 4.940 -7.261 -6.763 240 2HA GLY 30 1HA GLY 30 5.534 -5.751 -7.433 241 H ASP 31 H ASP 31 7.348 -5.814 -6.069 242 HA ASP 31 HA ASP 31 6.783 -5.387 -3.213 243 1HB ASP 31 2HB ASP 31 9.458 -6.082 -4.421 244 2HB ASP 31 1HB ASP 31 8.992 -6.152 -2.727 245 H ASN 32 H ASN 32 7.177 -3.469 -2.329 246 HA ASN 32 HA ASN 32 8.754 -1.514 -3.878 247 1HB ASN 32 2HB ASN 32 6.326 -0.963 -3.696 248 2HB ASN 32 1HB ASN 32 6.497 -0.931 -1.944 249 1HD2 ASN 32 1HD2 ASN 32 5.848 1.125 -4.064 250 2HD2 ASN 32 2HD2 ASN 32 6.902 2.446 -3.702 251 H SER 33 H SER 33 10.506 -0.658 -2.881 252 HA SER 33 HA SER 33 11.108 -1.599 -0.208 253 1HB SER 33 2HB SER 33 12.778 0.053 -2.112 254 2HB SER 33 1HB SER 33 13.332 -0.613 -0.573 255 HG SER 33 HG SER 33 12.563 -2.005 -2.917 256 H LEU 34 H LEU 34 11.519 -0.377 1.550 257 HA LEU 34 HA LEU 34 10.525 2.393 1.460 258 1HB LEU 34 2HB LEU 34 9.062 1.112 2.808 259 2HB LEU 34 1HB LEU 34 10.371 0.252 3.576 260 HG LEU 34 HG LEU 34 9.074 1.976 4.925 261 1HD1 LEU 34 1HD1 LEU 34 11.244 2.676 6.050 262 2HD1 LEU 34 2HD1 LEU 34 12.057 1.757 4.781 263 3HD1 LEU 34 3HD1 LEU 34 10.948 0.950 5.875 264 1HD2 LEU 34 1HD2 LEU 34 10.935 4.077 4.234 265 2HD2 LEU 34 2HD2 LEU 34 9.185 4.140 4.438 266 3HD2 LEU 34 3HD2 LEU 34 9.874 3.673 2.883 267 H ALA 35 H ALA 35 11.730 4.006 2.407 268 HA ALA 35 HA ALA 35 14.526 3.641 2.556 269 1HB ALA 35 1HB ALA 35 14.271 6.066 3.572 270 2HB ALA 35 2HB ALA 35 12.649 5.905 2.900 271 3HB ALA 35 3HB ALA 35 14.059 5.749 1.851 272 H ALA 36 H ALA 36 15.863 4.143 4.394 273 HA ALA 36 HA ALA 36 15.054 2.696 6.677 274 1HB ALA 36 1HB ALA 36 17.228 2.774 7.285 275 2HB ALA 36 2HB ALA 36 17.375 4.496 6.933 276 3HB ALA 36 3HB ALA 36 17.442 3.319 5.621 277 H VAL 37 H VAL 37 13.506 3.424 7.898 278 HA VAL 37 HA VAL 37 13.656 6.155 8.998 279 HB VAL 37 HB VAL 37 11.099 4.595 8.675 280 1HG1 VAL 37 1HG1 VAL 37 11.839 7.313 9.546 281 2HG1 VAL 37 2HG1 VAL 37 10.509 6.272 10.056 282 3HG1 VAL 37 3HG1 VAL 37 10.393 7.175 8.547 283 1HG2 VAL 37 1HG2 VAL 37 12.662 5.768 6.577 284 2HG2 VAL 37 2HG2 VAL 37 11.135 6.635 6.746 285 3HG2 VAL 37 3HG2 VAL 37 11.134 4.891 6.479 286 H SER 38 H SER 38 12.491 6.333 11.136 287 HA SER 38 HA SER 38 13.586 4.668 13.042 288 1HB SER 38 2HB SER 38 12.780 6.755 13.792 289 2HB SER 38 1HB SER 38 11.175 6.473 13.117 290 HG SER 38 HG SER 38 12.348 5.113 15.316 291 H GLU 39 H GLU 39 10.065 4.743 12.485 292 HA GLU 39 HA GLU 39 9.953 1.865 12.242 293 1HB GLU 39 2HB GLU 39 10.106 2.394 14.725 294 2HB GLU 39 1HB GLU 39 8.506 3.108 14.572 295 1HG GLU 39 2HG GLU 39 7.919 0.790 13.502 296 2HG GLU 39 1HG GLU 39 9.340 0.259 14.401 297 H SER 40 H SER 40 8.524 4.972 11.945 298 HA SER 40 HA SER 40 5.853 4.610 11.692 299 1HB SER 40 2HB SER 40 6.215 6.193 9.550 300 2HB SER 40 1HB SER 40 6.383 6.776 11.204 301 HG SER 40 HG SER 40 8.298 6.384 9.261 302 H GLN 41 H GLN 41 8.266 3.805 9.226 303 HA GLN 41 HA GLN 41 6.753 3.045 7.093 304 1HB GLN 41 2HB GLN 41 8.845 2.639 6.468 305 2HB GLN 41 1HB GLN 41 9.378 2.446 8.124 306 1HG GLN 41 2HG GLN 41 7.914 0.122 7.173 307 2HG GLN 41 1HG GLN 41 9.310 0.489 6.178 308 1HE2 GLN 41 1HE2 GLN 41 8.477 -1.487 8.460 309 2HE2 GLN 41 2HE2 GLN 41 9.911 -1.558 9.421 310 H LEU 42 H LEU 42 7.789 0.781 9.634 311 HA LEU 42 HA LEU 42 6.331 -1.418 8.837 312 1HB LEU 42 2HB LEU 42 8.071 -1.315 10.643 313 2HB LEU 42 1HB LEU 42 6.849 -0.647 11.706 314 HG LEU 42 HG LEU 42 5.517 -2.813 11.094 315 1HD1 LEU 42 1HD1 LEU 42 7.611 -3.288 9.471 316 2HD1 LEU 42 2HD1 LEU 42 6.607 -4.556 10.175 317 3HD1 LEU 42 3HD1 LEU 42 8.145 -4.131 10.924 318 1HD2 LEU 42 1HD2 LEU 42 6.955 -4.021 12.904 319 2HD2 LEU 42 2HD2 LEU 42 6.050 -2.566 13.322 320 3HD2 LEU 42 3HD2 LEU 42 7.782 -2.467 13.007 321 H ALA 43 H ALA 43 5.316 0.960 11.290 322 HA ALA 43 HA ALA 43 2.765 -0.133 11.688 323 1HB ALA 43 1HB ALA 43 4.123 2.397 12.365 324 2HB ALA 43 2HB ALA 43 3.273 1.246 13.398 325 3HB ALA 43 3HB ALA 43 2.360 2.395 12.420 326 H GLN 44 H GLN 44 3.927 2.254 9.369 327 HA GLN 44 HA GLN 44 1.360 3.122 8.527 328 1HB GLN 44 2HB GLN 44 3.967 3.886 8.011 329 2HB GLN 44 1HB GLN 44 3.426 3.247 6.467 330 1HG GLN 44 2HG GLN 44 2.988 5.575 6.476 331 2HG GLN 44 1HG GLN 44 1.440 4.745 6.628 332 1HE2 GLN 44 1HE2 GLN 44 0.150 5.849 7.904 333 2HE2 GLN 44 2HE2 GLN 44 0.591 6.621 9.385 334 H LEU 45 H LEU 45 3.566 0.625 7.356 335 HA LEU 45 HA LEU 45 1.862 -0.102 5.165 336 1HB LEU 45 2HB LEU 45 4.219 -1.573 6.332 337 2HB LEU 45 1HB LEU 45 3.468 -1.890 4.778 338 1HD1 LEU 45 1HD1 LEU 45 6.756 -0.179 4.468 339 2HD1 LEU 45 2HD1 LEU 45 5.786 -0.997 3.245 340 3HD1 LEU 45 3HD1 LEU 45 6.036 -1.749 4.821 341 1HD2 LEU 45 1HD2 LEU 45 3.656 -0.072 2.941 342 2HD2 LEU 45 2HD2 LEU 45 4.596 1.376 3.304 343 3HD2 LEU 45 3HD2 LEU 45 3.053 1.100 4.112 344 H LYS 46 H LYS 46 2.339 -1.194 8.453 345 HA LYS 46 HA LYS 46 0.826 -3.619 8.088 346 1HB LYS 46 2HB LYS 46 2.503 -2.519 10.120 347 2HB LYS 46 1HB LYS 46 0.954 -2.915 10.843 348 1HG LYS 46 2HG LYS 46 1.951 -5.013 9.092 349 2HG LYS 46 1HG LYS 46 3.043 -4.648 10.430 350 1HD LYS 46 2HD LYS 46 0.329 -4.732 11.373 351 2HD LYS 46 1HD LYS 46 0.706 -6.212 10.489 352 1HE LYS 46 2HE LYS 46 2.952 -5.892 11.991 353 2HE LYS 46 1HE LYS 46 1.718 -5.237 13.066 354 1HZ LYS 46 1HZ LYS 46 2.135 -7.968 12.168 355 2HZ LYS 46 2HZ LYS 46 0.523 -7.465 12.255 356 3HZ LYS 46 3HZ LYS 46 1.506 -7.391 13.630 357 H ALA 47 H ALA 47 0.184 -0.337 9.067 358 HA ALA 47 HA ALA 47 -2.230 -0.629 10.411 359 1HB ALA 47 1HB ALA 47 -0.919 1.543 8.897 360 2HB ALA 47 2HB ALA 47 -1.561 1.528 10.539 361 3HB ALA 47 3HB ALA 47 -2.654 1.705 9.167 362 H ASP 48 H ASP 48 -1.520 -0.840 7.004 363 HA ASP 48 HA ASP 48 -4.351 -0.873 6.302 364 1HB ASP 48 2HB ASP 48 -2.428 0.270 4.952 365 2HB ASP 48 1HB ASP 48 -2.130 -1.357 4.346 366 HA PRO 49 HA PRO 49 -4.063 -5.359 6.678 367 1HB PRO 49 2HB PRO 49 -6.698 -5.842 6.762 368 2HB PRO 49 1HB PRO 49 -5.839 -5.148 8.143 369 1HG PRO 49 2HG PRO 49 -7.512 -3.776 6.073 370 2HG PRO 49 1HG PRO 49 -7.493 -3.540 7.829 371 1HD PRO 49 2HD PRO 49 -6.181 -1.909 6.071 372 2HD PRO 49 1HD PRO 49 -5.660 -2.165 7.748 373 H ARG 50 H ARG 50 -3.371 -4.585 4.236 374 HA ARG 50 HA ARG 50 -5.024 -6.265 2.506 375 1HB ARG 50 2HB ARG 50 -5.232 -3.549 2.341 376 2HB ARG 50 1HB ARG 50 -3.961 -3.866 1.169 377 1HG ARG 50 2HG ARG 50 -5.383 -5.334 -0.077 378 2HG ARG 50 1HG ARG 50 -6.634 -5.249 1.166 379 1HD ARG 50 2HD ARG 50 -6.110 -2.597 0.478 380 2HD ARG 50 1HD ARG 50 -6.114 -3.474 -1.052 381 HE ARG 50 HE ARG 50 -8.344 -4.377 0.175 382 1HH1 ARG 50 1HH1 ARG 50 -7.128 -1.174 -0.488 383 2HH1 ARG 50 2HH1 ARG 50 -8.703 -0.466 -0.616 384 1HH2 ARG 50 1HH2 ARG 50 -10.416 -3.449 0.006 385 2HH2 ARG 50 2HH2 ARG 50 -10.570 -1.758 -0.336 386 H LEU 51 H LEU 51 -1.998 -4.436 2.843 387 HA LEU 51 HA LEU 51 -0.678 -6.440 1.144 388 1HB LEU 51 2HB LEU 51 0.481 -3.779 1.941 389 2HB LEU 51 1HB LEU 51 1.001 -4.840 0.646 390 HG LEU 51 HG LEU 51 -0.076 -3.200 -0.551 391 1HD1 LEU 51 1HD1 LEU 51 -2.648 -4.558 -0.109 392 2HD1 LEU 51 2HD1 LEU 51 -1.295 -5.601 -0.545 393 3HD1 LEU 51 3HD1 LEU 51 -1.753 -4.265 -1.601 394 1HD2 LEU 51 1HD2 LEU 51 -1.980 -1.940 0.166 395 2HD2 LEU 51 2HD2 LEU 51 -0.809 -1.978 1.484 396 3HD2 LEU 51 3HD2 LEU 51 -2.233 -3.013 1.541 397 H VAL 52 H VAL 52 1.781 -6.635 1.809 398 HA VAL 52 HA VAL 52 1.789 -7.227 4.693 399 HB VAL 52 HB VAL 52 3.220 -9.053 4.317 400 1HG1 VAL 52 1HG1 VAL 52 1.548 -9.199 1.840 401 2HG1 VAL 52 2HG1 VAL 52 0.799 -9.190 3.438 402 3HG1 VAL 52 3HG1 VAL 52 1.933 -10.469 3.002 403 1HG2 VAL 52 1HG2 VAL 52 3.683 -7.927 1.558 404 2HG2 VAL 52 2HG2 VAL 52 4.208 -9.534 2.062 405 3HG2 VAL 52 3HG2 VAL 52 4.859 -8.103 2.861 406 H VAL 53 H VAL 53 3.557 -6.731 5.966 407 HA VAL 53 HA VAL 53 5.668 -5.103 4.716 408 HB VAL 53 HB VAL 53 4.225 -3.503 5.712 409 1HG1 VAL 53 1HG1 VAL 53 3.995 -5.495 7.852 410 2HG1 VAL 53 2HG1 VAL 53 2.826 -4.310 7.271 411 3HG1 VAL 53 3HG1 VAL 53 4.088 -3.821 8.402 412 1HG2 VAL 53 1HG2 VAL 53 5.673 -2.406 7.286 413 2HG2 VAL 53 2HG2 VAL 53 6.651 -3.176 6.037 414 3HG2 VAL 53 3HG2 VAL 53 6.508 -3.921 7.630 415 H GLN 54 H GLN 54 7.546 -6.044 5.027 416 HA GLN 54 HA GLN 54 8.054 -7.401 7.595 417 1HB GLN 54 2HB GLN 54 9.148 -8.339 4.945 418 2HB GLN 54 1HB GLN 54 9.226 -9.168 6.494 419 1HG GLN 54 2HG GLN 54 6.503 -8.585 5.654 420 2HG GLN 54 1HG GLN 54 7.379 -9.606 4.515 421 1HE2 GLN 54 1HE2 GLN 54 6.105 -9.336 7.734 422 2HE2 GLN 54 2HE2 GLN 54 6.254 -11.005 8.153 423 H ILE 55 H ILE 55 9.872 -6.846 8.619 424 HA ILE 55 HA ILE 55 11.602 -4.853 7.398 425 HB ILE 55 HB ILE 55 12.658 -4.768 9.671 426 1HG1 ILE 55 2HG1 ILE 55 10.360 -6.138 10.899 427 2HG1 ILE 55 1HG1 ILE 55 11.470 -7.206 10.046 428 1HG2 ILE 55 1HG2 ILE 55 10.842 -3.536 10.679 429 2HG2 ILE 55 2HG2 ILE 55 9.674 -4.338 9.627 430 3HG2 ILE 55 3HG2 ILE 55 10.867 -3.235 8.942 431 1HD1 ILE 55 1HD1 ILE 55 12.017 -5.428 12.391 432 2HD1 ILE 55 2HD1 ILE 55 13.315 -6.074 11.387 433 3HD1 ILE 55 3HD1 ILE 55 12.236 -7.172 12.247 434 H THR 56 H THR 56 13.614 -5.171 6.705 435 HA THR 56 HA THR 56 14.884 -7.771 7.257 436 HB THR 56 HB THR 56 15.958 -7.533 4.994 437 HG1 THR 56 1HG THR 56 15.419 -5.217 4.887 438 1HG2 THR 56 1HG2 THR 56 13.832 -7.968 3.665 439 2HG2 THR 56 2HG2 THR 56 12.985 -7.807 5.204 440 3HG2 THR 56 3HG2 THR 56 14.202 -9.064 4.995 441 H GLU 57 H GLU 57 16.393 -7.295 8.737 442 HA GLU 57 HA GLU 57 18.053 -4.904 8.339 443 1HB GLU 57 2HB GLU 57 16.781 -5.843 10.604 444 2HB GLU 57 1HB GLU 57 18.440 -6.376 10.838 445 1HG GLU 57 2HG GLU 57 19.225 -4.088 10.535 446 2HG GLU 57 1HG GLU 57 17.567 -3.550 10.280 447 H THR 58 H THR 58 19.524 -5.661 6.838 448 HA THR 58 HA THR 58 20.853 -8.158 7.043 449 HB THR 58 HB THR 58 20.666 -7.000 4.910 450 HG1 THR 58 1HG THR 58 22.872 -7.156 4.291 451 1HG2 THR 58 1HG2 THR 58 22.775 -5.041 5.501 452 2HG2 THR 58 2HG2 THR 58 21.180 -4.690 6.165 453 3HG2 THR 58 3HG2 THR 58 21.379 -4.928 4.430 454 H GLY 59 H GLY 59 21.559 -8.191 9.245 455 1HA GLY 59 2HA GLY 59 24.070 -8.056 9.911 456 2HA GLY 59 1HA GLY 59 23.733 -6.332 9.911 457 H SER 60 H SER 60 21.724 -9.034 11.035 458 HA SER 60 HA SER 60 22.238 -8.757 13.770 459 1HB SER 60 2HB SER 60 20.216 -7.551 14.513 460 2HB SER 60 1HB SER 60 21.258 -6.523 13.530 461 HG SER 60 HG SER 60 19.293 -6.215 12.670 462 H GLN 61 H GLN 61 22.012 -10.934 13.917 463 HA GLN 61 HA GLN 61 19.508 -12.156 13.014 464 1HB GLN 61 2HB GLN 61 20.730 -14.311 13.561 465 2HB GLN 61 1HB GLN 61 21.390 -13.363 12.235 466 1HG GLN 61 2HG GLN 61 23.225 -12.668 13.483 467 2HG GLN 61 1HG GLN 61 22.459 -13.082 15.015 468 1HE2 GLN 61 1HE2 GLN 61 24.554 -14.093 12.587 469 2HE2 GLN 61 2HE2 GLN 61 24.749 -15.735 13.087 470 H GLU 62 H GLU 62 19.517 -10.457 15.331 471 HA GLU 62 HA GLU 62 19.068 -12.393 17.500 472 1HB GLU 62 2HB GLU 62 20.148 -9.687 17.407 473 2HB GLU 62 1HB GLU 62 18.873 -9.853 18.606 474 1HG GLU 62 2HG GLU 62 20.847 -10.315 19.757 475 2HG GLU 62 1HG GLU 62 20.128 -11.894 19.440 476 H GLY 63 H GLY 63 17.141 -12.354 18.688 477 1HA GLY 63 2HA GLY 63 14.992 -11.330 19.173 478 2HA GLY 63 1HA GLY 63 14.958 -10.754 17.513 479 H GLY 64 H GLY 64 14.040 -11.994 15.964 480 1HA GLY 64 2HA GLY 64 13.364 -14.040 14.977 481 2HA GLY 64 1HA GLY 64 13.495 -14.813 16.550 482 H GLU 65 H GLU 65 11.986 -12.812 17.976 483 HA GLU 65 HA GLU 65 9.843 -12.392 18.611 484 1HB GLU 65 2HB GLU 65 9.706 -12.258 15.637 485 2HB GLU 65 1HB GLU 65 8.190 -12.293 16.529 486 1HG GLU 65 2HG GLU 65 8.414 -10.081 16.626 487 2HG GLU 65 1HG GLU 65 9.597 -10.399 17.893 488 H GLY 66 H GLY 66 8.917 -13.959 19.758 489 1HA GLY 66 2HA GLY 66 8.268 -16.503 18.457 490 2HA GLY 66 1HA GLY 66 8.321 -16.212 20.189 491 H LEU 67 H LEU 67 6.668 -14.039 18.020 492 HA LEU 67 HA LEU 67 4.122 -14.867 19.235 493 1HB LEU 67 2HB LEU 67 5.304 -12.354 18.970 494 2HB LEU 67 1HB LEU 67 4.037 -12.371 17.758 495 HG LEU 67 HG LEU 67 3.158 -11.420 19.777 496 1HD1 LEU 67 1HD1 LEU 67 2.042 -14.193 19.805 497 2HD1 LEU 67 2HD1 LEU 67 1.837 -13.161 18.390 498 3HD1 LEU 67 3HD1 LEU 67 1.206 -12.647 19.954 499 1HD2 LEU 67 1HD2 LEU 67 3.009 -13.210 21.751 500 2HD2 LEU 67 2HD2 LEU 67 4.341 -12.064 21.601 501 3HD2 LEU 67 3HD2 LEU 67 4.536 -13.720 21.029 502 H SER 68 H SER 68 3.177 -16.328 17.943 503 HA SER 68 HA SER 68 3.329 -16.060 15.052 504 1HB SER 68 2HB SER 68 2.160 -18.183 16.856 505 2HB SER 68 1HB SER 68 2.023 -18.230 15.099 506 HG SER 68 HG SER 68 4.390 -18.070 15.113 507 H LYS 69 H LYS 69 0.835 -16.141 17.581 508 HA LYS 69 HA LYS 69 -1.320 -15.635 15.788 509 1HB LYS 69 2HB LYS 69 -0.961 -15.867 18.712 510 2HB LYS 69 1HB LYS 69 -2.308 -14.864 18.191 511 1HG LYS 69 2HG LYS 69 -2.638 -17.046 16.612 512 2HG LYS 69 1HG LYS 69 -1.960 -17.771 18.072 513 1HD LYS 69 2HD LYS 69 -3.693 -16.714 19.419 514 2HD LYS 69 1HD LYS 69 -4.353 -15.934 17.981 515 1HE LYS 69 2HE LYS 69 -5.738 -17.766 18.203 516 2HE LYS 69 1HE LYS 69 -4.527 -18.362 17.069 517 1HZ LYS 69 1HZ LYS 69 -5.255 -19.619 19.328 518 2HZ LYS 69 2HZ LYS 69 -3.875 -18.792 19.850 519 3HZ LYS 69 3HZ LYS 69 -3.778 -19.854 18.537 520 H GLU 70 H GLU 70 -2.756 -13.695 16.043 521 HA GLU 70 HA GLU 70 -1.912 -11.253 17.062 522 1HB GLU 70 2HB GLU 70 -0.346 -11.935 14.876 523 2HB GLU 70 1HB GLU 70 -1.544 -10.842 14.198 524 1HG GLU 70 2HG GLU 70 0.034 -10.167 16.657 525 2HG GLU 70 1HG GLU 70 0.614 -9.816 15.031 526 HA PRO 71 HA PRO 71 -5.369 -10.564 13.618 527 1HB PRO 71 2HB PRO 71 -6.008 -13.429 13.138 528 2HB PRO 71 1HB PRO 71 -5.983 -12.075 12.003 529 1HG PRO 71 2HG PRO 71 -4.038 -13.893 11.989 530 2HG PRO 71 1HG PRO 71 -3.682 -12.175 11.726 531 1HD PRO 71 2HD PRO 71 -3.274 -13.846 14.170 532 2HD PRO 71 1HD PRO 71 -2.251 -12.560 13.498 533 H ALA 72 H ALA 72 -5.563 -13.535 15.572 534 HA ALA 72 HA ALA 72 -8.261 -12.896 16.419 535 1HB ALA 72 1HB ALA 72 -8.381 -15.035 17.283 536 2HB ALA 72 2HB ALA 72 -6.645 -15.124 17.584 537 3HB ALA 72 3HB ALA 72 -7.262 -15.245 15.935 538 H GLY 73 H GLY 73 -8.773 -13.055 18.802 539 1HA GLY 73 2HA GLY 73 -7.618 -12.850 21.050 540 2HA GLY 73 1HA GLY 73 -6.752 -11.515 20.306 541 H SER 74 H SER 74 -9.637 -12.525 21.863 542 HA SER 74 HA SER 74 -11.437 -11.398 22.674 543 1HB SER 74 2HB SER 74 -9.396 -9.839 23.304 544 2HB SER 74 1HB SER 74 -10.146 -8.756 22.133 545 HG SER 74 HG SER 74 -11.590 -9.944 24.257 546 H ASP 75 H ASP 75 -12.607 -12.090 20.774 547 HA ASP 75 HA ASP 75 -12.897 -10.213 18.589 548 1HB ASP 75 2HB ASP 75 -14.423 -12.771 19.114 549 2HB ASP 75 1HB ASP 75 -14.365 -11.875 17.599 550 H GLU 76 H GLU 76 -14.427 -8.707 18.398 551 HA GLU 76 HA GLU 76 -16.737 -8.828 20.223 552 1HB GLU 76 2HB GLU 76 -14.733 -6.968 20.370 553 2HB GLU 76 1HB GLU 76 -15.907 -6.145 19.352 554 1HG GLU 76 2HG GLU 76 -16.796 -5.482 21.287 555 2HG GLU 76 1HG GLU 76 -17.504 -7.097 21.325 556 H GLN 77 H GLN 77 -15.499 -7.572 17.149 557 HA GLN 77 HA GLN 77 -18.185 -7.890 16.019 558 1HB GLN 77 2HB GLN 77 -16.448 -5.432 15.798 559 2HB GLN 77 1HB GLN 77 -17.795 -5.755 14.715 560 1HG GLN 77 2HG GLN 77 -19.098 -4.710 16.163 561 2HG GLN 77 1HG GLN 77 -18.856 -6.067 17.262 562 1HE2 GLN 77 1HE2 GLN 77 -19.349 -3.372 18.008 563 2HE2 GLN 77 2HE2 GLN 77 -17.971 -2.811 18.886 564 H LYS 78 H LYS 78 -18.202 -8.856 14.074 565 HA LYS 78 HA LYS 78 -15.953 -8.700 12.280 566 1HB LYS 78 2HB LYS 78 -16.241 -10.943 14.098 567 2HB LYS 78 1HB LYS 78 -16.301 -11.470 12.421 568 1HG LYS 78 2HG LYS 78 -14.163 -10.525 11.968 569 2HG LYS 78 1HG LYS 78 -14.125 -9.720 13.538 570 1HD LYS 78 2HD LYS 78 -13.533 -11.609 14.640 571 2HD LYS 78 1HD LYS 78 -14.493 -12.649 13.587 572 1HE LYS 78 2HE LYS 78 -12.798 -12.403 11.825 573 2HE LYS 78 1HE LYS 78 -11.832 -11.401 12.907 574 1HZ LYS 78 1HZ LYS 78 -12.616 -14.010 13.927 575 2HZ LYS 78 2HZ LYS 78 -11.153 -13.177 14.092 576 3HZ LYS 78 3HZ LYS 78 -11.491 -14.015 12.662 577 H GLN 79 H GLN 79 -18.649 -10.962 12.885 578 HA GLN 79 HA GLN 79 -20.399 -11.620 11.592 579 1HB GLN 79 2HB GLN 79 -19.967 -8.800 10.686 580 2HB GLN 79 1HB GLN 79 -21.118 -9.813 9.825 581 1HG GLN 79 2HG GLN 79 -22.306 -10.216 11.944 582 2HG GLN 79 1HG GLN 79 -21.184 -9.125 12.754 583 1HE2 GLN 79 1HE2 GLN 79 -23.942 -9.398 10.727 584 2HE2 GLN 79 2HE2 GLN 79 -24.299 -7.712 10.612 585 H LEU 80 H LEU 80 -19.413 -13.341 10.572 586 HA LEU 80 HA LEU 80 -18.703 -14.596 8.816 587 1HB LEU 80 2HB LEU 80 -20.156 -12.410 7.641 588 2HB LEU 80 1HB LEU 80 -18.816 -12.854 6.600 589 HG LEU 80 HG LEU 80 -19.637 -15.218 6.664 590 1HD1 LEU 80 1HD1 LEU 80 -21.663 -13.941 8.406 591 2HD1 LEU 80 2HD1 LEU 80 -20.976 -15.564 8.464 592 3HD1 LEU 80 3HD1 LEU 80 -22.222 -15.175 7.278 593 1HD2 LEU 80 1HD2 LEU 80 -21.859 -14.508 5.374 594 2HD2 LEU 80 2HD2 LEU 80 -20.250 -14.290 4.687 595 3HD2 LEU 80 3HD2 LEU 80 -21.074 -12.932 5.452 596 H ARG 81 H ARG 81 -17.689 -11.471 7.483 597 HA ARG 81 HA ARG 81 -15.648 -10.693 6.840 598 1HB ARG 81 2HB ARG 81 -15.534 -10.850 9.452 599 2HB ARG 81 1HB ARG 81 -14.399 -12.155 9.137 600 1HG ARG 81 2HG ARG 81 -12.833 -10.581 9.070 601 2HG ARG 81 1HG ARG 81 -13.495 -10.146 7.494 602 1HD ARG 81 2HD ARG 81 -15.151 -8.871 9.328 603 2HD ARG 81 1HD ARG 81 -13.529 -8.677 9.988 604 HE ARG 81 HE ARG 81 -14.607 -7.377 7.698 605 1HH1 ARG 81 1HH1 ARG 81 -11.650 -8.666 9.031 606 2HH1 ARG 81 2HH1 ARG 81 -10.630 -7.611 8.113 607 1HH2 ARG 81 1HH2 ARG 81 -13.266 -5.987 6.491 608 2HH2 ARG 81 2HH2 ARG 81 -11.547 -6.089 6.672 609 H ALA 82 H ALA 82 -15.366 -11.820 4.929 610 HA ALA 82 HA ALA 82 -13.149 -13.605 4.841 611 1HB ALA 82 1HB ALA 82 -15.906 -14.733 4.559 612 2HB ALA 82 2HB ALA 82 -14.521 -15.372 5.444 613 3HB ALA 82 3HB ALA 82 -14.552 -15.447 3.683 614 H ASP 83 H ASP 83 -16.107 -12.840 2.998 615 HA ASP 83 HA ASP 83 -14.429 -11.806 0.838 616 1HB ASP 83 2HB ASP 83 -15.164 -14.278 0.492 617 2HB ASP 83 1HB ASP 83 -16.750 -13.588 0.159 618 HA PRO 84 HA PRO 84 -17.475 -8.586 0.984 619 1HB PRO 84 2HB PRO 84 -16.997 -7.440 -1.441 620 2HB PRO 84 1HB PRO 84 -15.947 -7.215 -0.038 621 1HG PRO 84 2HG PRO 84 -15.630 -9.074 -2.362 622 2HG PRO 84 1HG PRO 84 -14.410 -8.065 -1.562 623 1HD PRO 84 2HD PRO 84 -14.638 -10.709 -1.069 624 2HD PRO 84 1HD PRO 84 -14.142 -9.554 0.184 625 HA PRO 85 HA PRO 85 -21.025 -10.488 -0.941 626 1HB PRO 85 2HB PRO 85 -22.095 -7.713 -0.779 627 2HB PRO 85 1HB PRO 85 -22.811 -9.230 -0.222 628 1HG PRO 85 2HG PRO 85 -21.745 -7.516 1.514 629 2HG PRO 85 1HG PRO 85 -21.544 -9.266 1.722 630 1HD PRO 85 2HD PRO 85 -19.590 -7.235 0.739 631 2HD PRO 85 1HD PRO 85 -19.315 -8.676 1.739 632 H SER 86 H SER 86 -20.629 -7.099 -1.992 633 HA SER 86 HA SER 86 -20.576 -6.138 -4.052 634 1HB SER 86 2HB SER 86 -19.356 -8.827 -4.656 635 2HB SER 86 1HB SER 86 -19.576 -7.611 -5.915 636 HG SER 86 HG SER 86 -18.171 -7.186 -3.485 637 H THR 87 H THR 87 -22.989 -7.490 -3.151 638 HA THR 87 HA THR 87 -24.205 -8.031 -5.779 639 HB THR 87 HB THR 87 -25.101 -9.276 -3.179 640 HG1 THR 87 1HG THR 87 -23.002 -10.004 -3.793 641 1HG2 THR 87 1HG2 THR 87 -26.882 -9.797 -4.404 642 2HG2 THR 87 2HG2 THR 87 -25.818 -10.951 -5.209 643 3HG2 THR 87 3HG2 THR 87 -26.087 -9.357 -5.917 644 H ASP 88 H ASP 88 -24.651 -5.729 -5.794 645 HA ASP 88 HA ASP 88 -27.154 -5.138 -4.405 646 1HB ASP 88 2HB ASP 88 -24.816 -4.095 -3.447 647 2HB ASP 88 1HB ASP 88 -25.327 -2.833 -4.564 648 H LEU 89 H LEU 89 -24.794 -3.572 -6.577 649 HA LEU 89 HA LEU 89 -26.855 -2.308 -8.112 650 1HB LEU 89 2HB LEU 89 -24.663 -1.274 -7.840 651 2HB LEU 89 1HB LEU 89 -23.902 -2.632 -8.644 652 HG LEU 89 HG LEU 89 -25.008 -2.052 -10.739 653 1HD1 LEU 89 1HD1 LEU 89 -26.503 -0.234 -8.971 654 2HD1 LEU 89 2HD1 LEU 89 -27.002 -1.044 -10.455 655 3HD1 LEU 89 3HD1 LEU 89 -26.036 0.429 -10.537 656 1HD2 LEU 89 1HD2 LEU 89 -23.607 0.278 -9.433 657 2HD2 LEU 89 2HD2 LEU 89 -23.857 0.078 -11.167 658 3HD2 LEU 89 3HD2 LEU 89 -22.840 -1.062 -10.286 659 H ASN 90 H ASN 90 -24.972 -5.236 -8.366 660 HA ASN 90 HA ASN 90 -25.211 -5.911 -11.014 661 1HB ASN 90 2HB ASN 90 -24.616 -7.268 -8.583 662 2HB ASN 90 1HB ASN 90 -25.741 -8.270 -9.496 663 1HD2 ASN 90 1HD2 ASN 90 -22.560 -6.993 -9.306 664 2HD2 ASN 90 2HD2 ASN 90 -21.904 -7.832 -10.666 665 H THR 91 H THR 91 -27.651 -6.396 -8.466 666 HA THR 91 HA THR 91 -29.507 -7.792 -10.031 667 HB THR 91 HB THR 91 -31.137 -6.598 -8.284 668 HG1 THR 91 1HG THR 91 -29.654 -5.153 -7.465 669 1HG2 THR 91 1HG2 THR 91 -31.036 -8.476 -7.054 670 2HG2 THR 91 2HG2 THR 91 -29.277 -8.435 -6.934 671 3HG2 THR 91 3HG2 THR 91 -30.046 -9.038 -8.401 672 H PHE 92 H PHE 92 -28.599 -4.494 -10.241 673 HA PHE 92 HA PHE 92 -31.143 -3.693 -11.417 674 1HB PHE 92 2HB PHE 92 -28.623 -2.151 -10.781 675 2HB PHE 92 1HB PHE 92 -30.019 -1.445 -11.582 676 HD1 PHE 92 2HD PHE 92 -29.283 -3.492 -8.549 677 HD2 PHE 92 1HD PHE 92 -31.475 -0.270 -10.261 678 HE1 PHE 92 2HE PHE 92 -30.289 -3.016 -6.355 679 HE2 PHE 92 1HE PHE 92 -32.485 0.213 -8.069 680 HZ PHE 92 HZ PHE 92 -31.894 -1.161 -6.113 681 H THR 93 H THR 93 -31.375 -4.458 -13.436 682 HA THR 93 HA THR 93 -29.133 -4.723 -15.213 683 HB THR 93 HB THR 93 -32.089 -5.186 -15.623 684 HG1 THR 93 1HG THR 93 -31.671 -7.141 -14.992 685 1HG2 THR 93 1HG2 THR 93 -30.048 -4.991 -17.604 686 2HG2 THR 93 2HG2 THR 93 -31.758 -5.377 -17.796 687 3HG2 THR 93 3HG2 THR 93 -30.594 -6.663 -17.481 688 H VAL 94 H VAL 94 -32.099 -3.520 -16.591 689 HA VAL 94 HA VAL 94 -30.943 -0.864 -16.997 690 HB VAL 94 HB VAL 94 -31.986 -2.489 -19.315 691 1HG1 VAL 94 1HG1 VAL 94 -30.240 -0.159 -19.733 692 2HG1 VAL 94 2HG1 VAL 94 -31.838 0.198 -19.077 693 3HG1 VAL 94 3HG1 VAL 94 -31.685 -0.669 -20.605 694 1HG2 VAL 94 1HG2 VAL 94 -30.026 -3.599 -19.053 695 2HG2 VAL 94 2HG2 VAL 94 -29.271 -2.281 -18.156 696 3HG2 VAL 94 3HG2 VAL 94 -29.398 -2.191 -19.912 697 H GLU 95 H GLU 95 -33.696 -3.026 -17.479 698 HA GLU 95 HA GLU 95 -35.554 -0.885 -17.883 699 1HB GLU 95 2HB GLU 95 -37.260 -2.628 -17.898 700 2HB GLU 95 1HB GLU 95 -35.901 -3.081 -18.917 701 1HG GLU 95 2HG GLU 95 -35.047 -4.385 -16.898 702 2HG GLU 95 1HG GLU 95 -36.662 -4.162 -16.230 703 H GLN 96 H GLN 96 -34.253 -2.482 -15.136 704 HA GLN 96 HA GLN 96 -36.438 -2.017 -13.365 705 1HB GLN 96 2HB GLN 96 -33.819 -3.218 -13.237 706 2HB GLN 96 1HB GLN 96 -34.034 -2.126 -11.877 707 1HG GLN 96 2HG GLN 96 -35.099 -3.772 -10.851 708 2HG GLN 96 1HG GLN 96 -36.417 -3.535 -11.997 709 1HE2 GLN 96 1HE2 GLN 96 -35.425 -4.509 -14.301 710 2HE2 GLN 96 2HE2 GLN 96 -35.078 -6.195 -14.150 711 H LEU 97 H LEU 97 -33.332 -0.446 -13.892 712 HA LEU 97 HA LEU 97 -33.498 1.619 -12.078 713 1HB LEU 97 2HB LEU 97 -32.359 2.809 -14.323 714 2HB LEU 97 1HB LEU 97 -31.526 2.019 -13.007 715 HG LEU 97 HG LEU 97 -32.478 0.218 -15.130 716 1HD1 LEU 97 1HD1 LEU 97 -30.305 0.870 -16.403 717 2HD1 LEU 97 2HD1 LEU 97 -30.559 2.430 -15.628 718 3HD1 LEU 97 3HD1 LEU 97 -31.798 1.766 -16.690 719 1HD2 LEU 97 1HD2 LEU 97 -30.114 0.559 -13.351 720 2HD2 LEU 97 2HD2 LEU 97 -29.989 -0.459 -14.785 721 3HD2 LEU 97 3HD2 LEU 97 -31.182 -0.832 -13.542 722 H LYS 98 H LYS 98 -34.423 1.791 -15.499 723 HA LYS 98 HA LYS 98 -35.550 4.336 -15.406 724 1HB LYS 98 2HB LYS 98 -36.750 3.711 -17.466 725 2HB LYS 98 1HB LYS 98 -35.054 3.255 -17.509 726 1HG LYS 98 2HG LYS 98 -35.775 0.943 -16.822 727 2HG LYS 98 1HG LYS 98 -37.434 1.468 -17.116 728 1HD LYS 98 2HD LYS 98 -36.508 0.315 -19.066 729 2HD LYS 98 1HD LYS 98 -36.863 2.005 -19.428 730 1HE LYS 98 2HE LYS 98 -34.731 2.443 -19.909 731 2HE LYS 98 1HE LYS 98 -34.161 1.660 -18.435 732 1HZ LYS 98 1HZ LYS 98 -35.079 -0.124 -20.531 733 2HZ LYS 98 2HZ LYS 98 -33.733 -0.248 -19.515 734 3HZ LYS 98 3HZ LYS 98 -33.669 0.742 -20.885 735 H ALA 99 H ALA 99 -36.978 1.238 -14.527 736 HA ALA 99 HA ALA 99 -39.606 2.405 -14.252 737 1HB ALA 99 1HB ALA 99 -40.078 0.064 -13.236 738 2HB ALA 99 2HB ALA 99 -38.494 -0.337 -13.900 739 3HB ALA 99 3HB ALA 99 -39.783 0.219 -14.968 740 H GLN 100 H GLN 100 -36.903 1.813 -12.269 741 HA GLN 100 HA GLN 100 -38.396 2.049 -9.798 742 1HB GLN 100 2HB GLN 100 -36.028 0.805 -10.447 743 2HB GLN 100 1HB GLN 100 -35.484 2.243 -9.596 744 1HG GLN 100 2HG GLN 100 -35.687 0.735 -7.883 745 2HG GLN 100 1HG GLN 100 -37.252 1.547 -7.829 746 1HE2 GLN 100 1HE2 GLN 100 -38.999 0.319 -7.848 747 2HE2 GLN 100 2HE2 GLN 100 -39.062 -1.345 -8.306 748 H LEU 101 H LEU 101 -36.204 4.005 -11.748 749 HA LEU 101 HA LEU 101 -35.807 6.089 -9.920 750 1HB LEU 101 2HB LEU 101 -35.517 5.720 -12.828 751 2HB LEU 101 1HB LEU 101 -35.810 7.377 -12.346 752 HG LEU 101 HG LEU 101 -33.410 5.684 -11.964 753 1HD1 LEU 101 1HD1 LEU 101 -32.267 7.604 -12.613 754 2HD1 LEU 101 2HD1 LEU 101 -33.597 8.664 -12.147 755 3HD1 LEU 101 3HD1 LEU 101 -33.747 7.634 -13.571 756 1HD2 LEU 101 1HD2 LEU 101 -33.688 5.969 -9.672 757 2HD2 LEU 101 2HD2 LEU 101 -34.433 7.556 -9.861 758 3HD2 LEU 101 3HD2 LEU 101 -32.700 7.357 -10.121 759 H THR 102 H THR 102 -38.254 5.643 -12.435 760 HA THR 102 HA THR 102 -39.620 8.073 -11.955 761 HB THR 102 HB THR 102 -41.526 6.323 -12.956 762 HG1 THR 102 1HG THR 102 -40.510 4.952 -14.307 763 1HG2 THR 102 1HG2 THR 102 -41.211 8.400 -13.994 764 2HG2 THR 102 2HG2 THR 102 -40.794 7.186 -15.205 765 3HG2 THR 102 3HG2 THR 102 -39.518 8.054 -14.350 766 H GLU 103 H GLU 103 -39.975 4.799 -10.709 767 HA GLU 103 HA GLU 103 -42.294 5.461 -9.165 768 1HB GLU 103 2HB GLU 103 -40.730 3.056 -9.730 769 2HB GLU 103 1HB GLU 103 -41.329 3.122 -8.079 770 1HG GLU 103 2HG GLU 103 -43.327 3.818 -10.091 771 2HG GLU 103 1HG GLU 103 -42.708 2.174 -10.228 772 H ARG 104 H ARG 104 -39.098 6.160 -8.811 773 HA ARG 104 HA ARG 104 -39.173 6.103 -5.879 774 1HB ARG 104 2HB ARG 104 -36.998 6.130 -7.906 775 2HB ARG 104 1HB ARG 104 -36.683 6.935 -6.376 776 1HG ARG 104 2HG ARG 104 -37.653 4.647 -5.428 777 2HG ARG 104 1HG ARG 104 -37.036 4.061 -6.974 778 1HD ARG 104 2HD ARG 104 -34.889 4.315 -6.355 779 2HD ARG 104 1HD ARG 104 -35.207 5.834 -5.519 780 HE ARG 104 HE ARG 104 -35.143 3.201 -4.371 781 1HH1 ARG 104 1HH1 ARG 104 -36.381 6.446 -4.019 782 2HH1 ARG 104 2HH1 ARG 104 -36.591 6.312 -2.305 783 1HH2 ARG 104 1HH2 ARG 104 -35.419 3.025 -2.119 784 2HH2 ARG 104 2HH2 ARG 104 -36.045 4.371 -1.226 785 H GLY 105 H GLY 105 -39.563 8.221 -8.517 786 1HA GLY 105 2HA GLY 105 -40.409 10.423 -8.208 787 2HA GLY 105 1HA GLY 105 -39.573 10.496 -6.665 788 H ILE 106 H ILE 106 -38.236 9.497 -9.783 789 HA ILE 106 HA ILE 106 -36.697 11.982 -9.927 790 HB ILE 106 HB ILE 106 -35.355 9.293 -10.172 791 1HG1 ILE 106 2HG1 ILE 106 -35.271 11.236 -7.854 792 2HG1 ILE 106 1HG1 ILE 106 -36.103 9.684 -7.850 793 1HG2 ILE 106 1HG2 ILE 106 -34.577 11.634 -11.232 794 2HG2 ILE 106 2HG2 ILE 106 -33.451 10.395 -10.679 795 3HG2 ILE 106 3HG2 ILE 106 -33.837 11.763 -9.636 796 1HD1 ILE 106 1HD1 ILE 106 -34.215 8.946 -6.911 797 2HD1 ILE 106 2HD1 ILE 106 -33.265 10.306 -7.511 798 3HD1 ILE 106 3HD1 ILE 106 -33.602 8.932 -8.565 799 H THR 107 H THR 107 -38.037 12.444 -11.735 800 HA THR 107 HA THR 107 -38.364 10.754 -13.953 801 HB THR 107 HB THR 107 -39.834 12.626 -13.676 802 HG1 THR 107 1HG THR 107 -39.840 12.536 -15.769 803 1HG2 THR 107 1HG2 THR 107 -39.195 14.626 -12.999 804 2HG2 THR 107 2HG2 THR 107 -38.208 14.830 -14.446 805 3HG2 THR 107 3HG2 THR 107 -37.519 14.077 -13.007 806 H PHE 108 H PHE 108 -37.449 10.994 -16.103 807 HA PHE 108 HA PHE 108 -34.893 12.338 -16.335 808 1HB PHE 108 2HB PHE 108 -33.757 10.225 -17.103 809 2HB PHE 108 1HB PHE 108 -34.113 10.289 -15.382 810 HD1 PHE 108 2HD PHE 108 -36.477 9.255 -14.742 811 HD2 PHE 108 1HD PHE 108 -34.233 8.289 -18.227 812 HE1 PHE 108 2HE PHE 108 -37.670 7.109 -14.912 813 HE2 PHE 108 1HE PHE 108 -35.422 6.143 -18.403 814 HZ PHE 108 HZ PHE 108 -37.143 5.550 -16.744 815 H LYS 109 H LYS 109 -35.495 13.501 -18.078 816 HA LYS 109 HA LYS 109 -36.553 12.040 -20.405 817 1HB LYS 109 2HB LYS 109 -37.173 14.643 -19.225 818 2HB LYS 109 1HB LYS 109 -36.888 14.725 -20.959 819 1HG LYS 109 2HG LYS 109 -38.867 13.832 -21.407 820 2HG LYS 109 1HG LYS 109 -38.588 12.492 -20.294 821 1HD LYS 109 2HD LYS 109 -39.245 15.163 -19.156 822 2HD LYS 109 1HD LYS 109 -40.542 14.229 -19.906 823 1HE LYS 109 2HE LYS 109 -38.710 13.061 -17.829 824 2HE LYS 109 1HE LYS 109 -40.189 13.921 -17.403 825 1HZ LYS 109 1HZ LYS 109 -40.088 11.304 -17.847 826 2HZ LYS 109 2HZ LYS 109 -40.468 11.837 -19.406 827 3HZ LYS 109 3HZ LYS 109 -41.476 12.235 -18.108 828 H GLN 110 H GLN 110 -34.413 14.760 -19.561 829 HA GLN 110 HA GLN 110 -33.106 14.636 -22.135 830 1HB GLN 110 2HB GLN 110 -33.020 16.423 -19.769 831 2HB GLN 110 1HB GLN 110 -31.555 16.331 -20.738 832 1HG GLN 110 2HG GLN 110 -33.551 16.632 -22.616 833 2HG GLN 110 1HG GLN 110 -34.070 17.663 -21.285 834 1HE2 GLN 110 1HE2 GLN 110 -33.173 19.605 -21.086 835 2HE2 GLN 110 2HE2 GLN 110 -31.791 20.164 -21.960 836 H SER 111 H SER 111 -31.970 14.349 -18.763 837 HA SER 111 HA SER 111 -29.579 12.972 -19.669 838 1HB SER 111 2HB SER 111 -29.413 14.677 -17.887 839 2HB SER 111 1HB SER 111 -30.461 13.698 -16.863 840 HG SER 111 HG SER 111 -28.214 13.391 -16.431 841 H ALA 112 H ALA 112 -29.080 11.217 -17.604 842 HA ALA 112 HA ALA 112 -29.400 9.034 -17.045 843 1HB ALA 112 1HB ALA 112 -31.899 10.418 -16.482 844 2HB ALA 112 2HB ALA 112 -30.982 9.283 -15.493 845 3HB ALA 112 3HB ALA 112 -32.102 8.681 -16.716 846 H THR 113 H THR 113 -29.032 9.294 -19.702 847 HA THR 113 HA THR 113 -31.014 8.336 -21.408 848 HB THR 113 HB THR 113 -28.225 7.476 -21.942 849 HG1 THR 113 1HG THR 113 -27.601 9.362 -21.148 850 1HG2 THR 113 1HG2 THR 113 -28.857 8.974 -24.021 851 2HG2 THR 113 2HG2 THR 113 -30.492 8.620 -23.460 852 3HG2 THR 113 3HG2 THR 113 -29.395 7.301 -23.871 853 H LYS 114 H LYS 114 -28.229 6.381 -20.323 854 HA LYS 114 HA LYS 114 -29.944 4.211 -19.560 855 1HB LYS 114 2HB LYS 114 -28.899 2.586 -21.163 856 2HB LYS 114 1HB LYS 114 -29.976 3.760 -21.906 857 1HG LYS 114 2HG LYS 114 -28.293 3.981 -23.372 858 2HG LYS 114 1HG LYS 114 -27.629 5.058 -22.141 859 1HD LYS 114 2HD LYS 114 -26.731 2.659 -21.258 860 2HD LYS 114 1HD LYS 114 -26.743 2.385 -23.002 861 1HE LYS 114 2HE LYS 114 -25.509 4.845 -21.806 862 2HE LYS 114 1HE LYS 114 -24.608 3.335 -21.937 863 1HZ LYS 114 1HZ LYS 114 -25.960 4.214 -24.351 864 2HZ LYS 114 2HZ LYS 114 -24.423 3.539 -24.156 865 3HZ LYS 114 3HZ LYS 114 -24.668 5.183 -23.846 866 H ALA 115 H ALA 115 -26.664 5.308 -20.235 867 HA ALA 115 HA ALA 115 -25.542 3.338 -18.442 868 1HB ALA 115 1HB ALA 115 -23.456 4.911 -18.870 869 2HB ALA 115 2HB ALA 115 -24.447 5.449 -20.226 870 3HB ALA 115 3HB ALA 115 -23.999 3.750 -20.080 871 H GLU 116 H GLU 116 -26.796 6.519 -18.295 872 HA GLU 116 HA GLU 116 -25.435 7.208 -15.836 873 1HB GLU 116 2HB GLU 116 -27.601 8.618 -17.397 874 2HB GLU 116 1HB GLU 116 -26.845 9.262 -15.946 875 1HG GLU 116 2HG GLU 116 -25.138 8.469 -18.254 876 2HG GLU 116 1HG GLU 116 -26.033 9.987 -18.314 877 H LEU 117 H LEU 117 -28.680 6.187 -16.848 878 HA LEU 117 HA LEU 117 -29.707 6.496 -14.179 879 1HB LEU 117 2HB LEU 117 -31.784 5.925 -14.963 880 2HB LEU 117 1HB LEU 117 -31.061 6.699 -16.349 881 HG LEU 117 HG LEU 117 -31.817 3.840 -15.927 882 1HD1 LEU 117 1HD1 LEU 117 -33.394 5.339 -16.987 883 2HD1 LEU 117 2HD1 LEU 117 -32.796 4.154 -18.148 884 3HD1 LEU 117 3HD1 LEU 117 -32.181 5.806 -18.178 885 1HD2 LEU 117 1HD2 LEU 117 -29.667 4.858 -17.746 886 2HD2 LEU 117 2HD2 LEU 117 -30.612 3.418 -18.127 887 3HD2 LEU 117 3HD2 LEU 117 -29.636 3.467 -16.668 888 H ILE 118 H ILE 118 -28.017 4.027 -15.836 889 HA ILE 118 HA ILE 118 -28.969 1.960 -14.035 890 HB ILE 118 HB ILE 118 -28.368 1.331 -16.326 891 1HG1 ILE 118 2HG1 ILE 118 -28.111 -0.205 -14.287 892 2HG1 ILE 118 1HG1 ILE 118 -27.340 -0.706 -15.787 893 1HG2 ILE 118 1HG2 ILE 118 -26.099 1.283 -17.122 894 2HG2 ILE 118 2HG2 ILE 118 -25.514 1.967 -15.608 895 3HG2 ILE 118 3HG2 ILE 118 -26.533 2.932 -16.680 896 1HD1 ILE 118 1HD1 ILE 118 -25.403 -0.863 -14.740 897 2HD1 ILE 118 2HD1 ILE 118 -26.185 -0.380 -13.235 898 3HD1 ILE 118 3HD1 ILE 118 -25.481 0.841 -14.294 899 H ALA 119 H ALA 119 -26.374 4.250 -14.279 900 HA ALA 119 HA ALA 119 -24.813 3.010 -12.165 901 1HB ALA 119 1HB ALA 119 -24.409 5.211 -14.094 902 2HB ALA 119 2HB ALA 119 -23.297 3.953 -13.553 903 3HB ALA 119 3HB ALA 119 -23.592 5.364 -12.538 904 H LEU 120 H LEU 120 -27.053 5.644 -12.638 905 HA LEU 120 HA LEU 120 -26.624 7.257 -10.474 906 1HB LEU 120 2HB LEU 120 -28.404 7.371 -12.352 907 2HB LEU 120 1HB LEU 120 -29.415 6.480 -11.232 908 HG LEU 120 HG LEU 120 -28.506 8.543 -9.664 909 1HD1 LEU 120 1HD1 LEU 120 -27.558 9.980 -11.142 910 2HD1 LEU 120 2HD1 LEU 120 -29.237 10.490 -11.317 911 3HD1 LEU 120 3HD1 LEU 120 -28.521 9.397 -12.501 912 1HD2 LEU 120 1HD2 LEU 120 -30.988 7.883 -11.118 913 2HD2 LEU 120 2HD2 LEU 120 -30.851 9.535 -10.517 914 3HD2 LEU 120 3HD2 LEU 120 -30.720 8.178 -9.400 915 H PHE 121 H PHE 121 -28.761 4.391 -10.485 916 HA PHE 121 HA PHE 121 -29.555 4.522 -7.832 917 1HB PHE 121 2HB PHE 121 -29.158 2.135 -9.633 918 2HB PHE 121 1HB PHE 121 -29.875 2.019 -8.027 919 HD1 PHE 121 1HD PHE 121 -30.318 3.226 -11.434 920 HD2 PHE 121 2HD PHE 121 -32.078 2.905 -7.580 921 HE1 PHE 121 1HE PHE 121 -32.499 3.830 -12.385 922 HE2 PHE 121 2HE PHE 121 -34.265 3.497 -8.523 923 HZ PHE 121 HZ PHE 121 -34.471 3.961 -10.928 924 H ALA 122 H ALA 122 -27.761 5.172 -6.587 925 HA ALA 122 HA ALA 122 -25.925 2.969 -5.925 926 1HB ALA 122 1HB ALA 122 -24.399 5.082 -5.294 927 2HB ALA 122 2HB ALA 122 -25.304 5.763 -6.645 928 3HB ALA 122 3HB ALA 122 -24.356 4.293 -6.870 929 HA PRO 123 HA PRO 123 -27.591 3.672 -1.851 930 1HB PRO 123 2HB PRO 123 -25.912 2.065 -0.464 931 2HB PRO 123 1HB PRO 123 -27.215 1.432 -1.479 932 1HG PRO 123 2HG PRO 123 -24.295 1.697 -2.089 933 2HG PRO 123 1HG PRO 123 -25.391 0.344 -2.427 934 1HD PRO 123 2HD PRO 123 -24.680 2.162 -4.310 935 2HD PRO 123 1HD PRO 123 -26.259 1.353 -4.305 936 H ALA 124 H ALA 124 -26.964 5.886 -1.696 937 HA ALA 124 HA ALA 124 -24.827 6.316 0.210 938 1HB ALA 124 1HB ALA 124 -24.661 8.194 -2.054 939 2HB ALA 124 2HB ALA 124 -24.094 6.554 -2.370 940 3HB ALA 124 3HB ALA 124 -23.383 7.495 -1.059 941 H ASP 125 H ASP 125 -27.647 6.528 0.381 942 HA ASP 125 HA ASP 125 -28.389 9.298 0.163 943 1HB ASP 125 2HB ASP 125 -29.787 6.914 0.306 944 2HB ASP 125 1HB ASP 125 -30.090 7.650 1.876 945 H GLY 126 H GLY 126 -27.340 10.667 1.488 946 1HA GLY 126 2HA GLY 126 -27.961 11.022 4.120 947 2HA GLY 126 1HA GLY 126 -26.583 9.934 4.165 948 H GLU 127 H GLU 127 -24.577 10.660 3.195 949 HA GLU 127 HA GLU 127 -24.339 13.503 2.641 950 1HB GLU 127 2HB GLU 127 -23.963 12.704 5.220 951 2HB GLU 127 1HB GLU 127 -22.331 12.568 4.583 952 1HG GLU 127 2HG GLU 127 -22.494 14.911 3.799 953 2HG GLU 127 1HG GLU 127 -24.069 15.023 4.581 954 H LYS 128 H LYS 128 -22.367 10.612 3.342 955 HA LYS 128 HA LYS 128 -21.304 10.532 0.697 956 1HB LYS 128 2HB LYS 128 -18.907 10.891 1.444 957 2HB LYS 128 1HB LYS 128 -19.908 12.334 1.341 958 1HG LYS 128 2HG LYS 128 -19.794 12.731 3.549 959 2HG LYS 128 1HG LYS 128 -19.873 11.019 3.969 960 1HD LYS 128 2HD LYS 128 -17.478 10.892 3.045 961 2HD LYS 128 1HD LYS 128 -17.487 12.653 3.166 962 1HE LYS 128 2HE LYS 128 -18.410 12.028 5.606 963 2HE LYS 128 1HE LYS 128 -17.428 10.599 5.290 964 1HZ LYS 128 1HZ LYS 128 -16.188 13.156 4.687 965 2HZ LYS 128 2HZ LYS 128 -15.527 11.772 5.402 966 3HZ LYS 128 3HZ LYS 128 -16.457 12.840 6.327 967 H SER 129 H SER 129 -22.302 8.431 1.197 968 HA SER 129 HA SER 129 -20.808 6.711 3.010 969 1HB SER 129 2HB SER 129 -23.162 5.967 1.262 970 2HB SER 129 1HB SER 129 -22.545 5.086 2.660 971 HG SER 129 HG SER 129 -24.102 7.393 2.546 972 H GLU 130 H GLU 130 -19.962 4.648 2.310 973 HA GLU 130 HA GLU 130 -19.251 4.550 -0.542 974 1HB GLU 130 2HB GLU 130 -16.991 3.726 0.138 975 2HB GLU 130 1HB GLU 130 -17.303 5.403 0.568 976 1HG GLU 130 2HG GLU 130 -16.628 4.887 2.613 977 2HG GLU 130 1HG GLU 130 -18.131 3.984 2.790 978 H ALA 131 H ALA 131 -20.917 2.982 -0.773 979 HA ALA 131 HA ALA 131 -20.368 0.395 0.518 980 1HB ALA 131 1HB ALA 131 -22.903 1.497 -0.676 981 2HB ALA 131 2HB ALA 131 -22.576 1.143 1.021 982 3HB ALA 131 3HB ALA 131 -22.713 -0.174 -0.144 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 8.720 7.562 14.762 2 2H GLY 1 2HT GLY 1 9.311 8.662 13.622 3 3H GLY 1 3HT GLY 1 8.018 9.095 14.622 4 1HA GLY 1 1HA GLY 1 10.877 8.941 15.228 5 2HA GLY 1 2HA GLY 1 9.703 10.158 15.703 6 H SER 2 H SER 2 11.231 7.183 16.524 7 HA SER 2 HA SER 2 9.631 7.008 18.988 8 1HB SER 2 2HB SER 2 10.143 4.697 19.106 9 2HB SER 2 1HB SER 2 9.759 5.001 17.412 10 HG SER 2 HG SER 2 11.929 4.963 16.928 11 H HIS 3 H HIS 3 12.671 7.898 17.781 12 HA HIS 3 HA HIS 3 14.594 8.586 18.778 13 1HB HIS 3 2HB HIS 3 12.591 8.750 20.945 14 2HB HIS 3 1HB HIS 3 14.269 8.691 21.474 15 HD1 HIS 3 1HD HIS 3 13.092 10.473 18.361 16 HD2 HIS 3 2HD HIS 3 14.516 11.341 22.168 17 HE1 HIS 3 1HE HIS 3 13.498 12.954 18.378 18 HE2 HIS 3 2HE HIS 3 14.442 13.442 20.662 19 H MET 4 H MET 4 16.009 7.925 20.937 20 HA MET 4 HA MET 4 17.281 6.317 21.921 21 1HB MET 4 2HB MET 4 14.661 5.281 21.992 22 2HB MET 4 1HB MET 4 15.691 3.959 21.459 23 1HG MET 4 2HG MET 4 16.943 5.314 23.640 24 2HG MET 4 1HG MET 4 15.284 4.907 24.074 25 1HE MET 4 1HE MET 4 14.454 1.949 23.768 26 2HE MET 4 2HE MET 4 14.666 3.097 25.091 27 3HE MET 4 3HE MET 4 15.415 1.502 25.178 28 H ASP 5 H ASP 5 17.346 6.876 19.024 29 HA ASP 5 HA ASP 5 18.402 6.145 17.146 30 1HB ASP 5 2HB ASP 5 19.694 4.460 19.276 31 2HB ASP 5 1HB ASP 5 20.133 4.264 17.582 32 H LYS 6 H LYS 6 17.004 5.276 15.744 33 HA LYS 6 HA LYS 6 16.770 2.414 15.599 34 1HB LYS 6 2HB LYS 6 14.875 3.574 17.147 35 2HB LYS 6 1HB LYS 6 14.101 3.684 15.572 36 1HG LYS 6 2HG LYS 6 13.328 1.664 16.347 37 2HG LYS 6 1HG LYS 6 14.717 1.171 15.379 38 1HD LYS 6 2HD LYS 6 15.387 1.786 18.156 39 2HD LYS 6 1HD LYS 6 14.247 0.450 17.985 40 1HE LYS 6 2HE LYS 6 15.748 -0.852 16.805 41 2HE LYS 6 1HE LYS 6 16.689 0.538 16.268 42 1HZ LYS 6 1HZ LYS 6 16.627 0.062 19.135 43 2HZ LYS 6 2HZ LYS 6 17.908 0.551 18.147 44 3HZ LYS 6 3HZ LYS 6 17.469 -1.081 18.215 45 H THR 7 H THR 7 16.852 1.872 13.530 46 HA THR 7 HA THR 7 15.668 3.660 11.524 47 HB THR 7 HB THR 7 17.967 4.203 11.426 48 HG1 THR 7 1HG THR 7 16.765 3.184 9.420 49 1HG2 THR 7 1HG2 THR 7 18.355 1.330 11.928 50 2HG2 THR 7 2HG2 THR 7 19.318 2.718 12.448 51 3HG2 THR 7 3HG2 THR 7 19.497 2.085 10.812 52 H PHE 8 H PHE 8 14.464 2.597 10.033 53 HA PHE 8 HA PHE 8 15.072 -0.194 9.491 54 1HB PHE 8 2HB PHE 8 13.076 0.493 11.316 55 2HB PHE 8 1HB PHE 8 12.226 0.028 9.844 56 HD1 PHE 8 1HD PHE 8 14.579 -1.075 12.428 57 HD2 PHE 8 2HD PHE 8 12.242 -2.201 9.046 58 HE1 PHE 8 1HE PHE 8 14.970 -3.450 12.957 59 HE2 PHE 8 2HE PHE 8 12.638 -4.583 9.571 60 HZ PHE 8 HZ PHE 8 13.998 -5.205 11.527 61 H CYS 9 H CYS 9 14.364 -1.013 7.598 62 HA CYS 9 HA CYS 9 12.977 0.824 5.749 63 1HB CYS 9 2HB CYS 9 14.349 -0.396 3.944 64 2HB CYS 9 1HB CYS 9 15.197 0.787 4.935 65 HG CYS 9 HG CYS 9 16.805 -1.045 5.238 66 H VAL 10 H VAL 10 11.091 -0.034 5.115 67 HA VAL 10 HA VAL 10 10.707 -2.945 5.312 68 HB VAL 10 HB VAL 10 9.200 -0.922 6.418 69 1HG1 VAL 10 1HG1 VAL 10 7.632 -1.975 4.078 70 2HG1 VAL 10 2HG1 VAL 10 8.310 -0.352 4.185 71 3HG1 VAL 10 3HG1 VAL 10 7.065 -0.864 5.325 72 1HG2 VAL 10 1HG2 VAL 10 8.023 -2.606 7.367 73 2HG2 VAL 10 2HG2 VAL 10 9.351 -3.550 6.699 74 3HG2 VAL 10 3HG2 VAL 10 7.812 -3.466 5.842 75 H VAL 11 H VAL 11 9.518 -4.042 3.712 76 HA VAL 11 HA VAL 11 9.265 -2.626 1.156 77 HB VAL 11 HB VAL 11 11.224 -3.928 0.962 78 1HG1 VAL 11 1HG1 VAL 11 9.616 -6.157 2.155 79 2HG1 VAL 11 2HG1 VAL 11 11.083 -5.401 2.779 80 3HG1 VAL 11 3HG1 VAL 11 11.158 -6.415 1.338 81 1HG2 VAL 11 1HG2 VAL 11 10.737 -4.791 -1.053 82 2HG2 VAL 11 2HG2 VAL 11 9.096 -4.232 -0.729 83 3HG2 VAL 11 3HG2 VAL 11 9.542 -5.904 -0.388 84 H VAL 12 H VAL 12 7.438 -3.008 0.009 85 HA VAL 12 HA VAL 12 5.465 -4.800 1.258 86 HB VAL 12 HB VAL 12 3.774 -3.372 0.062 87 1HG1 VAL 12 1HG1 VAL 12 3.969 -1.500 1.657 88 2HG1 VAL 12 2HG1 VAL 12 5.598 -2.043 2.058 89 3HG1 VAL 12 3HG1 VAL 12 4.211 -3.071 2.421 90 1HG2 VAL 12 1HG2 VAL 12 5.985 -2.404 -1.283 91 2HG2 VAL 12 2HG2 VAL 12 5.560 -1.097 -0.179 92 3HG2 VAL 12 3HG2 VAL 12 4.361 -1.719 -1.312 93 H GLN 13 H GLN 13 5.493 -6.696 0.197 94 HA GLN 13 HA GLN 13 5.710 -6.746 -2.710 95 1HB GLN 13 2HB GLN 13 6.823 -8.398 -0.985 96 2HB GLN 13 1HB GLN 13 5.256 -9.193 -1.045 97 1HG GLN 13 2HG GLN 13 5.494 -9.787 -3.267 98 2HG GLN 13 1HG GLN 13 6.716 -8.552 -3.570 99 1HE2 GLN 13 1HE2 GLN 13 8.797 -9.097 -3.438 100 2HE2 GLN 13 2HE2 GLN 13 9.395 -10.615 -2.873 101 H ASN 14 H ASN 14 3.846 -6.241 -3.716 102 HA ASN 14 HA ASN 14 1.318 -7.164 -2.573 103 1HB ASN 14 2HB ASN 14 1.339 -5.530 -5.055 104 2HB ASN 14 1HB ASN 14 0.266 -5.449 -3.662 105 1HD2 ASN 14 1HD2 ASN 14 2.479 -3.776 -5.308 106 2HD2 ASN 14 2HD2 ASN 14 3.119 -2.778 -4.053 107 H ARG 15 H ARG 15 -0.157 -8.403 -3.662 108 HA ARG 15 HA ARG 15 0.513 -9.454 -6.293 109 1HB ARG 15 2HB ARG 15 0.347 -11.121 -3.792 110 2HB ARG 15 1HB ARG 15 -0.003 -11.811 -5.369 111 1HG ARG 15 2HG ARG 15 2.458 -10.391 -5.531 112 2HG ARG 15 1HG ARG 15 2.506 -11.454 -4.124 113 1HD ARG 15 2HD ARG 15 1.602 -13.258 -5.716 114 2HD ARG 15 1HD ARG 15 2.089 -12.164 -7.010 115 HE ARG 15 HE ARG 15 4.163 -12.700 -5.089 116 1HH1 ARG 15 1HH1 ARG 15 2.634 -13.781 -8.034 117 2HH1 ARG 15 2HH1 ARG 15 4.025 -14.651 -8.585 118 1HH2 ARG 15 1HH2 ARG 15 5.995 -13.845 -5.812 119 2HH2 ARG 15 2HH2 ARG 15 5.933 -14.689 -7.323 120 H ILE 16 H ILE 16 -1.528 -7.701 -5.336 121 HA ILE 16 HA ILE 16 -3.950 -9.351 -5.414 122 HB ILE 16 HB ILE 16 -3.753 -6.387 -4.863 123 1HG1 ILE 16 2HG1 ILE 16 -4.354 -8.265 -2.659 124 2HG1 ILE 16 1HG1 ILE 16 -2.695 -8.297 -3.247 125 1HG2 ILE 16 1HG2 ILE 16 -5.996 -6.755 -3.851 126 2HG2 ILE 16 2HG2 ILE 16 -5.966 -8.395 -4.497 127 3HG2 ILE 16 3HG2 ILE 16 -5.942 -7.015 -5.594 128 1HD1 ILE 16 1HD1 ILE 16 -2.524 -5.886 -2.853 129 2HD1 ILE 16 2HD1 ILE 16 -2.915 -6.778 -1.382 130 3HD1 ILE 16 3HD1 ILE 16 -4.175 -5.883 -2.232 131 H LYS 17 H LYS 17 -2.691 -6.350 -6.890 132 HA LYS 17 HA LYS 17 -3.772 -7.146 -9.451 133 1HB LYS 17 2HB LYS 17 -4.883 -4.750 -9.558 134 2HB LYS 17 1HB LYS 17 -5.749 -6.126 -8.895 135 1HG LYS 17 2HG LYS 17 -5.404 -5.419 -6.683 136 2HG LYS 17 1HG LYS 17 -4.185 -4.243 -7.172 137 1HD LYS 17 2HD LYS 17 -6.863 -3.939 -8.382 138 2HD LYS 17 1HD LYS 17 -6.740 -3.595 -6.654 139 1HE LYS 17 2HE LYS 17 -4.673 -2.183 -7.354 140 2HE LYS 17 1HE LYS 17 -5.399 -2.239 -8.960 141 1HZ LYS 17 1HZ LYS 17 -7.015 -0.829 -8.363 142 2HZ LYS 17 2HZ LYS 17 -5.980 -0.404 -7.095 143 3HZ LYS 17 3HZ LYS 17 -7.221 -1.522 -6.833 144 H GLU 18 H GLU 18 -3.299 -3.768 -8.730 145 HA GLU 18 HA GLU 18 -0.565 -3.834 -9.785 146 1HB GLU 18 2HB GLU 18 -2.845 -2.154 -10.847 147 2HB GLU 18 1HB GLU 18 -1.156 -1.835 -11.208 148 1HG GLU 18 2HG GLU 18 -1.476 -4.512 -11.823 149 2HG GLU 18 1HG GLU 18 -2.973 -3.759 -12.373 150 H GLY 19 H GLY 19 -1.028 -3.598 -7.177 151 1HA GLY 19 2HA GLY 19 0.186 -2.005 -5.771 152 2HA GLY 19 1HA GLY 19 -0.623 -0.720 -6.658 153 H TYR 20 H TYR 20 -3.100 -0.919 -6.575 154 HA TYR 20 HA TYR 20 -5.061 -1.039 -5.408 155 1HB TYR 20 2HB TYR 20 -4.331 -3.295 -4.634 156 2HB TYR 20 1HB TYR 20 -3.547 -2.522 -3.261 157 HD1 TYR 20 1HD TYR 20 -6.890 -2.623 -4.925 158 HD2 TYR 20 2HD TYR 20 -4.712 -2.424 -1.278 159 HE1 TYR 20 1HE TYR 20 -9.001 -2.731 -3.665 160 HE2 TYR 20 2HE TYR 20 -6.812 -2.534 -0.007 161 HH TYR 20 HH TYR 20 -9.076 -3.196 -0.241 162 H ARG 21 H ARG 21 -2.156 0.219 -4.098 163 HA ARG 21 HA ARG 21 -3.146 2.623 -3.335 164 1HB ARG 21 2HB ARG 21 -3.283 2.250 -0.772 165 2HB ARG 21 1HB ARG 21 -4.658 1.812 -1.778 166 1HG ARG 21 2HG ARG 21 -3.966 0.180 0.047 167 2HG ARG 21 1HG ARG 21 -4.263 -0.464 -1.568 168 1HD ARG 21 2HD ARG 21 -2.271 -1.461 -0.627 169 2HD ARG 21 1HD ARG 21 -1.844 -0.448 -2.001 170 HE ARG 21 HE ARG 21 -1.661 0.962 0.474 171 1HH1 ARG 21 1HH1 ARG 21 0.012 -1.296 -1.595 172 2HH1 ARG 21 2HH1 ARG 21 1.581 -0.874 -0.998 173 1HH2 ARG 21 1HH2 ARG 21 0.403 1.519 1.261 174 2HH2 ARG 21 2HH2 ARG 21 1.804 0.724 0.623 175 H ARG 22 H ARG 22 -1.758 3.787 -1.697 176 HA ARG 22 HA ARG 22 0.600 2.855 -0.621 177 1HB ARG 22 2HB ARG 22 1.418 2.224 -2.774 178 2HB ARG 22 1HB ARG 22 0.918 3.751 -3.487 179 1HG ARG 22 2HG ARG 22 2.612 4.919 -2.165 180 2HG ARG 22 1HG ARG 22 3.111 3.383 -1.455 181 1HD ARG 22 2HD ARG 22 4.406 2.929 -3.203 182 2HD ARG 22 1HD ARG 22 3.072 3.194 -4.325 183 HE ARG 22 HE ARG 22 3.829 5.703 -3.722 184 1HH1 ARG 22 1HH1 ARG 22 5.634 2.897 -4.747 185 2HH1 ARG 22 2HH1 ARG 22 6.849 3.823 -5.562 186 1HH2 ARG 22 1HH2 ARG 22 5.427 6.920 -4.792 187 2HH2 ARG 22 2HH2 ARG 22 6.732 6.106 -5.587 188 H ALA 23 H ALA 23 0.443 5.587 -2.864 189 HA ALA 23 HA ALA 23 0.671 7.407 -0.562 190 1HB ALA 23 1HB ALA 23 1.838 8.910 -1.915 191 2HB ALA 23 2HB ALA 23 1.251 8.167 -3.405 192 3HB ALA 23 3HB ALA 23 2.450 7.333 -2.415 193 H GLY 24 H GLY 24 -1.774 6.162 -1.978 194 1HA GLY 24 2HA GLY 24 -3.946 7.209 -1.719 195 2HA GLY 24 1HA GLY 24 -3.226 8.713 -2.283 196 H PHE 25 H PHE 25 -2.440 5.696 -3.794 197 HA PHE 25 HA PHE 25 -4.421 5.803 -5.841 198 1HB PHE 25 2HB PHE 25 -3.155 6.588 -7.668 199 2HB PHE 25 1HB PHE 25 -2.798 7.725 -6.374 200 HD1 PHE 25 1HD PHE 25 -0.807 6.235 -4.804 201 HD2 PHE 25 2HD PHE 25 -1.276 6.607 -9.018 202 HE1 PHE 25 1HE PHE 25 1.599 5.821 -5.105 203 HE2 PHE 25 2HE PHE 25 1.129 6.193 -9.326 204 HZ PHE 25 HZ PHE 25 2.569 5.799 -7.368 205 H SER 26 H SER 26 -4.229 4.029 -7.336 206 HA SER 26 HA SER 26 -3.264 1.671 -6.201 207 1HB SER 26 2HB SER 26 -3.370 1.158 -8.940 208 2HB SER 26 1HB SER 26 -4.673 0.930 -7.771 209 HG SER 26 HG SER 26 -5.525 2.867 -8.327 210 H PHE 27 H PHE 27 -1.179 1.566 -5.645 211 HA PHE 27 HA PHE 27 0.996 2.643 -6.984 212 1HB PHE 27 2HB PHE 27 1.124 1.919 -4.677 213 2HB PHE 27 1HB PHE 27 0.843 0.248 -5.144 214 HD1 PHE 27 1HD PHE 27 3.046 2.286 -7.206 215 HD2 PHE 27 2HD PHE 27 2.845 -0.404 -3.913 216 HE1 PHE 27 1HE PHE 27 5.474 1.921 -7.360 217 HE2 PHE 27 2HE PHE 27 5.271 -0.776 -4.062 218 HZ PHE 27 HZ PHE 27 6.590 0.389 -5.788 219 H HIS 28 H HIS 28 1.598 -0.731 -6.710 220 HA HIS 28 HA HIS 28 0.949 -1.451 -9.401 221 1HB HIS 28 2HB HIS 28 3.864 -1.034 -8.720 222 2HB HIS 28 1HB HIS 28 3.251 -1.775 -10.193 223 HD1 HIS 28 1HD HIS 28 1.550 -0.045 -11.579 224 HD2 HIS 28 2HD HIS 28 4.391 1.596 -9.030 225 HE1 HIS 28 1HE HIS 28 1.814 2.345 -12.316 226 HE2 HIS 28 2HE HIS 28 3.475 3.340 -10.704 227 H LEU 29 H LEU 29 1.981 -3.632 -9.956 228 HA LEU 29 HA LEU 29 1.793 -5.304 -7.578 229 1HB LEU 29 2HB LEU 29 0.654 -5.675 -9.932 230 2HB LEU 29 1HB LEU 29 2.191 -6.427 -10.312 231 HG LEU 29 HG LEU 29 0.429 -8.023 -9.557 232 1HD1 LEU 29 1HD1 LEU 29 2.849 -8.501 -9.368 233 2HD1 LEU 29 2HD1 LEU 29 1.879 -9.307 -8.135 234 3HD1 LEU 29 3HD1 LEU 29 2.811 -7.868 -7.722 235 1HD2 LEU 29 1HD2 LEU 29 -0.389 -8.048 -7.373 236 2HD2 LEU 29 2HD2 LEU 29 -0.453 -6.345 -7.827 237 3HD2 LEU 29 3HD2 LEU 29 0.851 -6.934 -6.797 238 H GLY 30 H GLY 30 3.622 -5.511 -6.502 239 1HA GLY 30 2HA GLY 30 5.779 -6.997 -7.311 240 2HA GLY 30 1HA GLY 30 6.202 -5.345 -7.737 241 H ASP 31 H ASP 31 7.825 -5.023 -6.273 242 HA ASP 31 HA ASP 31 6.967 -4.760 -3.495 243 1HB ASP 31 2HB ASP 31 9.216 -5.784 -2.800 244 2HB ASP 31 1HB ASP 31 7.952 -6.887 -3.332 245 H ASN 32 H ASN 32 7.693 -2.956 -2.557 246 HA ASN 32 HA ASN 32 9.955 -1.550 -3.825 247 1HB ASN 32 2HB ASN 32 7.346 -0.664 -3.843 248 2HB ASN 32 1HB ASN 32 8.017 0.168 -2.444 249 1HD2 ASN 32 1HD2 ASN 32 7.249 1.774 -4.335 250 2HD2 ASN 32 2HD2 ASN 32 8.570 2.392 -5.262 251 H SER 33 H SER 33 11.489 -0.718 -2.457 252 HA SER 33 HA SER 33 11.331 -1.601 0.297 253 1HB SER 33 2HB SER 33 13.718 -0.400 0.223 254 2HB SER 33 1HB SER 33 13.465 -2.036 -0.386 255 HG SER 33 HG SER 33 13.497 0.363 -1.901 256 H LEU 34 H LEU 34 11.450 -0.343 2.083 257 HA LEU 34 HA LEU 34 10.684 2.463 1.710 258 1HB LEU 34 2HB LEU 34 9.076 1.204 2.967 259 2HB LEU 34 1HB LEU 34 10.311 0.519 3.993 260 HG LEU 34 HG LEU 34 8.816 2.270 5.004 261 1HD1 LEU 34 1HD1 LEU 34 10.810 3.314 6.164 262 2HD1 LEU 34 2HD1 LEU 34 11.801 2.354 5.068 263 3HD1 LEU 34 3HD1 LEU 34 10.700 1.555 6.173 264 1HD2 LEU 34 1HD2 LEU 34 9.782 3.793 2.815 265 2HD2 LEU 34 2HD2 LEU 34 10.414 4.510 4.296 266 3HD2 LEU 34 3HD2 LEU 34 8.678 4.286 4.097 267 H ALA 35 H ALA 35 11.713 4.106 2.950 268 HA ALA 35 HA ALA 35 14.508 3.849 3.163 269 1HB ALA 35 1HB ALA 35 12.889 6.100 4.285 270 2HB ALA 35 2HB ALA 35 13.161 5.903 2.554 271 3HB ALA 35 3HB ALA 35 14.530 6.137 3.642 272 H ALA 36 H ALA 36 15.816 4.293 4.987 273 HA ALA 36 HA ALA 36 15.067 2.781 7.277 274 1HB ALA 36 1HB ALA 36 17.357 4.349 7.857 275 2HB ALA 36 2HB ALA 36 17.458 3.845 6.170 276 3HB ALA 36 3HB ALA 36 17.275 2.636 7.440 277 H VAL 37 H VAL 37 13.527 3.547 8.566 278 HA VAL 37 HA VAL 37 13.799 6.287 9.625 279 HB VAL 37 HB VAL 37 11.521 6.669 9.535 280 1HG1 VAL 37 1HG1 VAL 37 12.678 5.807 7.210 281 2HG1 VAL 37 2HG1 VAL 37 11.110 6.606 7.339 282 3HG1 VAL 37 3HG1 VAL 37 11.200 4.846 7.279 283 1HG2 VAL 37 1HG2 VAL 37 11.300 3.723 9.822 284 2HG2 VAL 37 2HG2 VAL 37 9.966 4.575 9.042 285 3HG2 VAL 37 3HG2 VAL 37 10.455 5.011 10.681 286 H SER 38 H SER 38 11.986 6.234 11.657 287 HA SER 38 HA SER 38 13.296 4.493 13.563 288 1HB SER 38 2HB SER 38 11.595 5.768 15.128 289 2HB SER 38 1HB SER 38 13.035 6.578 14.511 290 HG SER 38 HG SER 38 10.353 6.864 13.727 291 H GLU 39 H GLU 39 11.797 2.979 11.768 292 HA GLU 39 HA GLU 39 10.486 1.108 11.891 293 1HB GLU 39 2HB GLU 39 10.932 1.612 14.537 294 2HB GLU 39 1HB GLU 39 9.176 1.689 14.454 295 1HG GLU 39 2HG GLU 39 10.023 -0.574 12.974 296 2HG GLU 39 1HG GLU 39 10.856 -0.592 14.526 297 H SER 40 H SER 40 9.272 4.291 12.293 298 HA SER 40 HA SER 40 6.558 4.059 12.405 299 1HB SER 40 2HB SER 40 8.280 5.894 10.742 300 2HB SER 40 1HB SER 40 6.522 6.039 10.766 301 HG SER 40 HG SER 40 8.117 7.152 12.431 302 H GLN 41 H GLN 41 8.653 3.285 9.732 303 HA GLN 41 HA GLN 41 6.811 3.009 7.660 304 1HB GLN 41 2HB GLN 41 8.504 1.143 6.914 305 2HB GLN 41 1HB GLN 41 8.942 2.841 6.882 306 1HG GLN 41 2HG GLN 41 10.768 2.203 7.978 307 2HG GLN 41 1HG GLN 41 9.731 2.105 9.395 308 1HE2 GLN 41 1HE2 GLN 41 9.540 0.204 10.391 309 2HE2 GLN 41 2HE2 GLN 41 10.112 -1.304 9.778 310 H LEU 42 H LEU 42 7.856 0.671 10.083 311 HA LEU 42 HA LEU 42 6.521 -1.571 9.131 312 1HB LEU 42 2HB LEU 42 8.059 -1.953 10.850 313 2HB LEU 42 1HB LEU 42 7.392 -0.686 11.857 314 HG LEU 42 HG LEU 42 5.398 -2.090 12.278 315 1HD1 LEU 42 1HD1 LEU 42 5.015 -4.079 11.305 316 2HD1 LEU 42 2HD1 LEU 42 6.721 -4.525 11.294 317 3HD1 LEU 42 3HD1 LEU 42 6.083 -3.447 10.052 318 1HD2 LEU 42 1HD2 LEU 42 8.124 -2.667 13.139 319 2HD2 LEU 42 2HD2 LEU 42 7.030 -4.038 13.324 320 3HD2 LEU 42 3HD2 LEU 42 6.646 -2.495 14.085 321 H ALA 43 H ALA 43 5.398 0.715 11.619 322 HA ALA 43 HA ALA 43 2.774 -0.436 11.654 323 1HB ALA 43 1HB ALA 43 3.164 0.456 13.687 324 2HB ALA 43 2HB ALA 43 2.404 1.864 12.946 325 3HB ALA 43 3HB ALA 43 4.161 1.762 13.047 326 H GLN 44 H GLN 44 4.322 2.130 9.896 327 HA GLN 44 HA GLN 44 2.049 3.619 9.176 328 1HB GLN 44 2HB GLN 44 4.296 4.484 8.831 329 2HB GLN 44 1HB GLN 44 4.646 3.197 7.685 330 1HG GLN 44 2HG GLN 44 3.778 4.353 6.008 331 2HG GLN 44 1HG GLN 44 2.287 4.648 6.901 332 1HE2 GLN 44 1HE2 GLN 44 5.570 5.647 7.712 333 2HE2 GLN 44 2HE2 GLN 44 5.263 7.346 7.643 334 H LEU 45 H LEU 45 3.707 0.950 7.504 335 HA LEU 45 HA LEU 45 1.698 0.839 5.449 336 1HB LEU 45 2HB LEU 45 4.200 -0.631 6.078 337 2HB LEU 45 1HB LEU 45 3.021 -1.428 5.052 338 1HD1 LEU 45 1HD1 LEU 45 5.332 -0.178 2.663 339 2HD1 LEU 45 2HD1 LEU 45 5.355 -1.267 4.050 340 3HD1 LEU 45 3HD1 LEU 45 6.041 0.353 4.187 341 1HD2 LEU 45 1HD2 LEU 45 3.410 0.359 2.103 342 2HD2 LEU 45 2HD2 LEU 45 2.177 1.038 3.165 343 3HD2 LEU 45 3HD2 LEU 45 2.390 -0.710 3.066 344 H LYS 46 H LYS 46 2.614 -1.190 8.198 345 HA LYS 46 HA LYS 46 0.787 -3.251 7.856 346 1HB LYS 46 2HB LYS 46 2.679 -3.015 9.582 347 2HB LYS 46 1HB LYS 46 1.498 -2.169 10.572 348 1HG LYS 46 2HG LYS 46 0.391 -4.053 11.098 349 2HG LYS 46 1HG LYS 46 0.616 -4.760 9.497 350 1HD LYS 46 2HD LYS 46 2.517 -5.817 10.092 351 2HD LYS 46 1HD LYS 46 3.070 -4.475 11.095 352 1HE LYS 46 2HE LYS 46 2.547 -5.721 12.863 353 2HE LYS 46 1HE LYS 46 0.855 -5.464 12.440 354 1HZ LYS 46 1HZ LYS 46 2.519 -7.823 12.086 355 2HZ LYS 46 2HZ LYS 46 1.438 -7.483 10.831 356 3HZ LYS 46 3HZ LYS 46 0.862 -7.704 12.406 357 H ALA 47 H ALA 47 0.224 0.014 8.822 358 HA ALA 47 HA ALA 47 -2.006 -0.053 10.386 359 1HB ALA 47 1HB ALA 47 -2.221 1.866 8.175 360 2HB ALA 47 2HB ALA 47 -0.687 1.896 9.043 361 3HB ALA 47 3HB ALA 47 -2.199 2.134 9.919 362 H ASP 48 H ASP 48 -2.329 0.380 6.859 363 HA ASP 48 HA ASP 48 -5.041 -0.371 6.814 364 1HB ASP 48 2HB ASP 48 -2.932 0.041 4.736 365 2HB ASP 48 1HB ASP 48 -4.444 -0.730 4.268 366 HA PRO 49 HA PRO 49 -4.274 -4.793 7.033 367 1HB PRO 49 2HB PRO 49 -6.791 -5.557 7.515 368 2HB PRO 49 1HB PRO 49 -5.832 -4.728 8.747 369 1HG PRO 49 2HG PRO 49 -7.941 -3.627 6.932 370 2HG PRO 49 1HG PRO 49 -7.679 -3.319 8.659 371 1HD PRO 49 2HD PRO 49 -6.844 -1.641 6.646 372 2HD PRO 49 1HD PRO 49 -6.092 -1.723 8.251 373 H ARG 50 H ARG 50 -3.712 -4.890 4.764 374 HA ARG 50 HA ARG 50 -5.530 -6.467 3.254 375 1HB ARG 50 2HB ARG 50 -6.152 -3.882 2.967 376 2HB ARG 50 1HB ARG 50 -4.880 -3.983 1.758 377 1HG ARG 50 2HG ARG 50 -6.676 -4.488 0.464 378 2HG ARG 50 1HG ARG 50 -6.243 -6.111 1.004 379 1HD ARG 50 2HD ARG 50 -7.987 -6.194 2.546 380 2HD ARG 50 1HD ARG 50 -8.188 -4.443 2.556 381 HE ARG 50 HE ARG 50 -8.797 -5.155 0.005 382 1HH1 ARG 50 1HH1 ARG 50 -9.940 -6.167 3.143 383 2HH1 ARG 50 2HH1 ARG 50 -11.533 -6.547 2.579 384 1HH2 ARG 50 1HH2 ARG 50 -10.890 -5.652 -0.739 385 2HH2 ARG 50 2HH2 ARG 50 -12.073 -6.254 0.374 386 H LEU 51 H LEU 51 -2.666 -4.385 3.158 387 HA LEU 51 HA LEU 51 -1.430 -6.139 1.176 388 1HB LEU 51 2HB LEU 51 -0.168 -3.709 2.422 389 2HB LEU 51 1HB LEU 51 0.247 -4.488 0.907 390 HG LEU 51 HG LEU 51 -0.828 -2.520 0.265 391 1HD1 LEU 51 1HD1 LEU 51 -3.361 -3.904 0.086 392 2HD1 LEU 51 2HD1 LEU 51 -2.007 -4.957 -0.326 393 3HD1 LEU 51 3HD1 LEU 51 -2.234 -3.435 -1.188 394 1HD2 LEU 51 1HD2 LEU 51 -2.279 -1.370 1.505 395 2HD2 LEU 51 2HD2 LEU 51 -1.948 -2.551 2.772 396 3HD2 LEU 51 3HD2 LEU 51 -3.341 -2.763 1.713 397 H VAL 52 H VAL 52 1.044 -6.475 1.630 398 HA VAL 52 HA VAL 52 1.285 -7.512 4.381 399 HB VAL 52 HB VAL 52 2.783 -8.567 2.005 400 1HG1 VAL 52 1HG1 VAL 52 2.256 -9.629 4.766 401 2HG1 VAL 52 2HG1 VAL 52 3.807 -9.177 4.057 402 3HG1 VAL 52 3HG1 VAL 52 2.946 -10.596 3.464 403 1HG2 VAL 52 1HG2 VAL 52 0.000 -9.075 2.826 404 2HG2 VAL 52 2HG2 VAL 52 0.969 -10.503 2.459 405 3HG2 VAL 52 3HG2 VAL 52 0.764 -9.240 1.246 406 H VAL 53 H VAL 53 2.513 -6.126 5.477 407 HA VAL 53 HA VAL 53 4.844 -4.917 4.184 408 HB VAL 53 HB VAL 53 3.551 -3.265 5.237 409 1HG1 VAL 53 1HG1 VAL 53 3.029 -3.435 7.731 410 2HG1 VAL 53 2HG1 VAL 53 3.376 -5.156 7.554 411 3HG1 VAL 53 3HG1 VAL 53 2.071 -4.418 6.625 412 1HG2 VAL 53 1HG2 VAL 53 5.830 -3.953 7.084 413 2HG2 VAL 53 2HG2 VAL 53 4.981 -2.406 7.063 414 3HG2 VAL 53 3HG2 VAL 53 5.899 -2.930 5.648 415 H GLN 54 H GLN 54 6.689 -5.908 4.389 416 HA GLN 54 HA GLN 54 7.196 -7.556 6.774 417 1HB GLN 54 2HB GLN 54 7.275 -8.436 4.272 418 2HB GLN 54 1HB GLN 54 8.900 -7.767 4.335 419 1HG GLN 54 2HG GLN 54 9.395 -9.843 5.049 420 2HG GLN 54 1HG GLN 54 8.934 -9.162 6.609 421 1HE2 GLN 54 1HE2 GLN 54 8.819 -11.779 6.473 422 2HE2 GLN 54 2HE2 GLN 54 7.196 -12.355 6.337 423 H ILE 55 H ILE 55 8.780 -7.020 8.135 424 HA ILE 55 HA ILE 55 10.513 -4.765 7.392 425 HB ILE 55 HB ILE 55 10.804 -4.411 9.816 426 1HG1 ILE 55 2HG1 ILE 55 8.601 -5.842 10.856 427 2HG1 ILE 55 1HG1 ILE 55 9.560 -7.002 9.943 428 1HG2 ILE 55 1HG2 ILE 55 8.325 -3.814 10.237 429 2HG2 ILE 55 2HG2 ILE 55 8.091 -4.354 8.577 430 3HG2 ILE 55 3HG2 ILE 55 9.194 -3.022 8.924 431 1HD1 ILE 55 1HD1 ILE 55 11.425 -6.707 11.295 432 2HD1 ILE 55 2HD1 ILE 55 10.073 -6.680 12.425 433 3HD1 ILE 55 3HD1 ILE 55 10.838 -5.171 11.930 434 H THR 56 H THR 56 12.387 -5.515 6.630 435 HA THR 56 HA THR 56 13.817 -7.523 8.239 436 HB THR 56 HB THR 56 14.514 -7.250 5.370 437 HG1 THR 56 1HG THR 56 12.470 -7.477 4.871 438 1HG2 THR 56 1HG2 THR 56 15.135 -9.439 5.491 439 2HG2 THR 56 2HG2 THR 56 13.941 -9.827 6.730 440 3HG2 THR 56 3HG2 THR 56 15.404 -8.940 7.160 441 H GLU 57 H GLU 57 15.254 -6.347 9.370 442 HA GLU 57 HA GLU 57 17.019 -4.547 7.849 443 1HB GLU 57 2HB GLU 57 15.338 -3.375 9.368 444 2HB GLU 57 1HB GLU 57 16.240 -4.054 10.716 445 1HG GLU 57 2HG GLU 57 17.991 -2.748 8.831 446 2HG GLU 57 1HG GLU 57 16.730 -1.659 9.406 447 H THR 58 H THR 58 18.079 -6.813 7.841 448 HA THR 58 HA THR 58 20.197 -6.734 9.804 449 HB THR 58 HB THR 58 18.606 -8.103 11.000 450 HG1 THR 58 1HG THR 58 20.555 -9.778 9.805 451 1HG2 THR 58 1HG2 THR 58 18.603 -10.248 8.959 452 2HG2 THR 58 2HG2 THR 58 17.513 -8.881 8.727 453 3HG2 THR 58 3HG2 THR 58 17.410 -9.851 10.195 454 H GLY 59 H GLY 59 20.151 -6.271 7.029 455 1HA GLY 59 2HA GLY 59 21.795 -8.542 6.101 456 2HA GLY 59 1HA GLY 59 20.635 -7.758 5.038 457 H SER 60 H SER 60 22.986 -7.803 3.979 458 HA SER 60 HA SER 60 24.336 -5.279 4.653 459 1HB SER 60 2HB SER 60 25.816 -7.205 4.730 460 2HB SER 60 1HB SER 60 25.335 -7.678 3.101 461 HG SER 60 HG SER 60 26.976 -6.497 2.530 462 H GLN 61 H GLN 61 22.422 -6.846 2.272 463 HA GLN 61 HA GLN 61 21.518 -6.116 0.318 464 1HB GLN 61 2HB GLN 61 22.175 -3.716 1.741 465 2HB GLN 61 1HB GLN 61 22.498 -3.471 0.031 466 1HG GLN 61 2HG GLN 61 20.089 -4.630 -0.135 467 2HG GLN 61 1HG GLN 61 19.942 -3.860 1.445 468 1HE2 GLN 61 1HE2 GLN 61 19.560 -3.447 -1.818 469 2HE2 GLN 61 2HE2 GLN 61 19.507 -1.721 -1.876 470 H GLU 62 H GLU 62 22.690 -7.409 -1.046 471 HA GLU 62 HA GLU 62 25.276 -6.445 -2.012 472 1HB GLU 62 2HB GLU 62 23.836 -9.074 -2.166 473 2HB GLU 62 1HB GLU 62 25.163 -8.722 -3.264 474 1HG GLU 62 2HG GLU 62 26.706 -9.037 -1.687 475 2HG GLU 62 1HG GLU 62 25.783 -8.151 -0.473 476 H GLY 63 H GLY 63 23.102 -4.891 -2.788 477 1HA GLY 63 2HA GLY 63 23.481 -4.472 -5.457 478 2HA GLY 63 1HA GLY 63 22.195 -5.669 -5.405 479 H GLY 64 H GLY 64 22.690 -2.511 -5.795 480 1HA GLY 64 2HA GLY 64 20.920 -1.232 -4.029 481 2HA GLY 64 1HA GLY 64 21.374 -0.639 -5.620 482 H GLU 65 H GLU 65 20.209 -1.631 -7.482 483 HA GLU 65 HA GLU 65 18.273 -2.052 -8.596 484 1HB GLU 65 2HB GLU 65 17.622 -3.565 -6.061 485 2HB GLU 65 1HB GLU 65 16.678 -3.653 -7.544 486 1HG GLU 65 2HG GLU 65 19.562 -4.464 -7.242 487 2HG GLU 65 1HG GLU 65 18.179 -5.557 -7.310 488 H GLY 66 H GLY 66 17.314 -0.102 -8.856 489 1HA GLY 66 2HA GLY 66 14.878 0.528 -7.846 490 2HA GLY 66 1HA GLY 66 15.980 1.233 -6.674 491 H LEU 67 H LEU 67 14.110 2.069 -9.122 492 HA LEU 67 HA LEU 67 15.927 4.217 -9.983 493 1HB LEU 67 2HB LEU 67 14.649 2.218 -11.601 494 2HB LEU 67 1HB LEU 67 14.031 3.801 -12.034 495 HG LEU 67 HG LEU 67 15.937 3.144 -13.432 496 1HD1 LEU 67 1HD1 LEU 67 16.744 5.246 -13.546 497 2HD1 LEU 67 2HD1 LEU 67 17.115 5.313 -11.822 498 3HD1 LEU 67 3HD1 LEU 67 15.461 5.570 -12.379 499 1HD2 LEU 67 1HD2 LEU 67 18.143 2.885 -12.533 500 2HD2 LEU 67 2HD2 LEU 67 17.066 1.774 -11.687 501 3HD2 LEU 67 3HD2 LEU 67 17.577 3.271 -10.908 502 H SER 68 H SER 68 15.148 6.221 -9.765 503 HA SER 68 HA SER 68 12.268 6.525 -9.212 504 1HB SER 68 2HB SER 68 13.936 6.908 -7.284 505 2HB SER 68 1HB SER 68 14.380 8.385 -8.140 506 HG SER 68 HG SER 68 11.894 7.677 -7.005 507 H LYS 69 H LYS 69 15.130 7.952 -10.697 508 HA LYS 69 HA LYS 69 15.381 9.429 -12.407 509 1HB LYS 69 2HB LYS 69 13.443 7.903 -13.295 510 2HB LYS 69 1HB LYS 69 12.449 9.325 -13.009 511 1HG LYS 69 2HG LYS 69 13.255 10.399 -14.795 512 2HG LYS 69 1HG LYS 69 14.912 9.879 -14.482 513 1HD LYS 69 2HD LYS 69 13.098 7.741 -15.354 514 2HD LYS 69 1HD LYS 69 13.375 9.007 -16.552 515 1HE LYS 69 2HE LYS 69 15.026 7.337 -16.911 516 2HE LYS 69 1HE LYS 69 15.836 8.705 -16.150 517 1HZ LYS 69 1HZ LYS 69 15.208 6.063 -15.031 518 2HZ LYS 69 2HZ LYS 69 15.317 7.390 -13.988 519 3HZ LYS 69 3HZ LYS 69 16.645 6.953 -14.942 520 H GLU 70 H GLU 70 14.818 11.643 -13.109 521 HA GLU 70 HA GLU 70 13.930 13.193 -10.811 522 1HB GLU 70 2HB GLU 70 15.500 13.782 -13.284 523 2HB GLU 70 1HB GLU 70 14.693 15.109 -12.459 524 1HG GLU 70 2HG GLU 70 16.296 13.308 -10.764 525 2HG GLU 70 1HG GLU 70 17.188 14.311 -11.908 526 HA PRO 71 HA PRO 71 9.859 14.011 -12.346 527 1HB PRO 71 2HB PRO 71 10.255 16.737 -11.236 528 2HB PRO 71 1HB PRO 71 8.976 15.563 -10.907 529 1HG PRO 71 2HG PRO 71 10.898 16.026 -9.120 530 2HG PRO 71 1HG PRO 71 10.264 14.391 -9.379 531 1HD PRO 71 2HD PRO 71 12.831 15.601 -10.317 532 2HD PRO 71 1HD PRO 71 12.502 13.953 -9.741 533 H ALA 72 H ALA 72 8.815 16.386 -13.179 534 HA ALA 72 HA ALA 72 8.608 17.717 -15.013 535 1HB ALA 72 1HB ALA 72 10.550 18.826 -13.903 536 2HB ALA 72 2HB ALA 72 10.489 19.048 -15.652 537 3HB ALA 72 3HB ALA 72 11.616 17.887 -14.948 538 H GLY 73 H GLY 73 9.731 18.060 -17.355 539 1HA GLY 73 2HA GLY 73 11.086 16.364 -18.846 540 2HA GLY 73 1HA GLY 73 9.661 15.384 -18.532 541 H SER 74 H SER 74 10.351 18.755 -19.483 542 HA SER 74 HA SER 74 8.414 18.417 -21.675 543 1HB SER 74 2HB SER 74 8.644 20.606 -19.649 544 2HB SER 74 1HB SER 74 8.092 21.006 -21.274 545 HG SER 74 HG SER 74 6.357 19.675 -21.016 546 H ASP 75 H ASP 75 8.692 20.575 -23.134 547 HA ASP 75 HA ASP 75 11.471 20.450 -24.025 548 1HB ASP 75 2HB ASP 75 8.865 21.069 -25.307 549 2HB ASP 75 1HB ASP 75 10.278 21.908 -25.941 550 H GLU 76 H GLU 76 9.020 23.039 -23.870 551 HA GLU 76 HA GLU 76 11.135 24.995 -23.461 552 1HB GLU 76 2HB GLU 76 9.121 25.271 -25.045 553 2HB GLU 76 1HB GLU 76 8.191 25.596 -23.589 554 1HG GLU 76 2HG GLU 76 10.697 27.126 -24.035 555 2HG GLU 76 1HG GLU 76 9.276 27.531 -24.997 556 H GLN 77 H GLN 77 11.790 25.472 -21.480 557 HA GLN 77 HA GLN 77 9.947 26.131 -19.399 558 1HB GLN 77 2HB GLN 77 10.669 24.421 -17.785 559 2HB GLN 77 1HB GLN 77 9.859 23.706 -19.172 560 1HG GLN 77 2HG GLN 77 11.594 22.381 -19.491 561 2HG GLN 77 1HG GLN 77 12.613 23.791 -19.776 562 1HE2 GLN 77 1HE2 GLN 77 14.435 23.318 -18.733 563 2HE2 GLN 77 2HE2 GLN 77 14.550 22.898 -17.061 564 H LYS 78 H LYS 78 10.969 28.034 -19.069 565 HA LYS 78 HA LYS 78 13.276 28.118 -17.471 566 1HB LYS 78 2HB LYS 78 14.035 27.640 -20.009 567 2HB LYS 78 1HB LYS 78 13.966 29.397 -20.054 568 1HG LYS 78 2HG LYS 78 15.359 29.123 -17.810 569 2HG LYS 78 1HG LYS 78 15.807 27.603 -18.586 570 1HD LYS 78 2HD LYS 78 16.288 29.067 -20.659 571 2HD LYS 78 1HD LYS 78 16.288 30.412 -19.515 572 1HE LYS 78 2HE LYS 78 18.061 27.974 -19.449 573 2HE LYS 78 1HE LYS 78 18.546 29.625 -19.836 574 1HZ LYS 78 1HZ LYS 78 17.577 30.091 -17.475 575 2HZ LYS 78 2HZ LYS 78 19.148 29.487 -17.650 576 3HZ LYS 78 3HZ LYS 78 17.883 28.445 -17.234 577 H GLN 79 H GLN 79 11.443 29.903 -19.929 578 HA GLN 79 HA GLN 79 11.209 32.124 -18.018 579 1HB GLN 79 2HB GLN 79 11.660 32.445 -20.990 580 2HB GLN 79 1HB GLN 79 11.455 33.744 -19.823 581 1HG GLN 79 2HG GLN 79 13.638 33.782 -19.502 582 2HG GLN 79 1HG GLN 79 13.568 32.130 -18.890 583 1HE2 GLN 79 1HE2 GLN 79 12.880 30.763 -21.176 584 2HE2 GLN 79 2HE2 GLN 79 14.175 30.865 -22.316 585 H LEU 80 H LEU 80 9.154 32.555 -17.587 586 HA LEU 80 HA LEU 80 7.159 32.528 -19.684 587 1HB LEU 80 2HB LEU 80 5.638 31.082 -18.225 588 2HB LEU 80 1HB LEU 80 6.895 30.274 -19.141 589 HG LEU 80 HG LEU 80 8.222 30.626 -16.837 590 1HD1 LEU 80 1HD1 LEU 80 5.815 31.582 -16.076 591 2HD1 LEU 80 2HD1 LEU 80 6.970 30.822 -14.980 592 3HD1 LEU 80 3HD1 LEU 80 5.638 29.880 -15.650 593 1HD2 LEU 80 1HD2 LEU 80 6.254 28.394 -17.326 594 2HD2 LEU 80 2HD2 LEU 80 7.699 28.326 -16.315 595 3HD2 LEU 80 3HD2 LEU 80 7.852 28.516 -18.062 596 H ARG 81 H ARG 81 5.755 34.134 -19.379 597 HA ARG 81 HA ARG 81 5.983 35.886 -17.174 598 1HB ARG 81 2HB ARG 81 4.934 36.063 -19.698 599 2HB ARG 81 1HB ARG 81 3.481 36.044 -18.708 600 1HG ARG 81 2HG ARG 81 4.076 38.311 -19.039 601 2HG ARG 81 1HG ARG 81 4.477 37.912 -17.368 602 1HD ARG 81 2HD ARG 81 6.687 38.184 -17.698 603 2HD ARG 81 1HD ARG 81 6.639 37.468 -19.309 604 HE ARG 81 HE ARG 81 5.438 39.837 -19.704 605 1HH1 ARG 81 1HH1 ARG 81 8.433 38.978 -18.128 606 2HH1 ARG 81 2HH1 ARG 81 9.209 40.477 -18.514 607 1HH2 ARG 81 1HH2 ARG 81 6.459 41.805 -20.213 608 2HH2 ARG 81 2HH2 ARG 81 8.088 42.082 -19.698 609 H ALA 82 H ALA 82 3.299 36.552 -16.604 610 HA ALA 82 HA ALA 82 2.400 34.169 -15.121 611 1HB ALA 82 1HB ALA 82 2.005 36.956 -14.090 612 2HB ALA 82 2HB ALA 82 3.505 36.075 -13.792 613 3HB ALA 82 3HB ALA 82 1.971 35.427 -13.210 614 H ASP 83 H ASP 83 1.433 37.187 -16.697 615 HA ASP 83 HA ASP 83 -1.372 36.590 -16.436 616 1HB ASP 83 2HB ASP 83 0.246 38.833 -17.492 617 2HB ASP 83 1HB ASP 83 -1.333 38.600 -18.237 618 HA PRO 84 HA PRO 84 -1.075 36.312 -21.386 619 1HB PRO 84 2HB PRO 84 1.630 35.279 -21.682 620 2HB PRO 84 1HB PRO 84 0.841 36.603 -22.536 621 1HG PRO 84 2HG PRO 84 2.719 36.730 -20.354 622 2HG PRO 84 1HG PRO 84 2.037 38.056 -21.302 623 1HD PRO 84 2HD PRO 84 1.495 37.550 -18.632 624 2HD PRO 84 1HD PRO 84 0.484 38.527 -19.713 625 HA PRO 85 HA PRO 85 0.326 31.692 -20.743 626 1HB PRO 85 2HB PRO 85 1.111 31.637 -17.902 627 2HB PRO 85 1HB PRO 85 1.927 30.943 -19.306 628 1HG PRO 85 2HG PRO 85 2.905 33.091 -18.031 629 2HG PRO 85 1HG PRO 85 3.052 32.899 -19.788 630 1HD PRO 85 2HD PRO 85 1.136 34.584 -18.218 631 2HD PRO 85 1HD PRO 85 2.009 34.966 -19.715 632 H SER 86 H SER 86 -0.903 29.946 -19.832 633 HA SER 86 HA SER 86 -2.842 29.042 -19.053 634 1HB SER 86 2HB SER 86 -2.936 30.895 -16.729 635 2HB SER 86 1HB SER 86 -3.084 29.138 -16.778 636 HG SER 86 HG SER 86 -0.917 28.940 -16.813 637 H THR 87 H THR 87 -3.985 30.028 -20.851 638 HA THR 87 HA THR 87 -5.469 32.461 -20.325 639 HB THR 87 HB THR 87 -6.358 32.134 -22.608 640 HG1 THR 87 1HG THR 87 -4.695 29.847 -22.719 641 1HG2 THR 87 1HG2 THR 87 -4.505 33.320 -23.014 642 2HG2 THR 87 2HG2 THR 87 -3.914 31.803 -23.692 643 3HG2 THR 87 3HG2 THR 87 -3.485 32.259 -22.043 644 H ASP 88 H ASP 88 -6.682 29.444 -21.740 645 HA ASP 88 HA ASP 88 -8.341 28.587 -19.704 646 1HB ASP 88 2HB ASP 88 -9.335 30.980 -20.993 647 2HB ASP 88 1HB ASP 88 -10.453 29.639 -21.224 648 H LEU 89 H LEU 89 -8.618 29.295 -23.180 649 HA LEU 89 HA LEU 89 -9.801 26.735 -23.738 650 1HB LEU 89 2HB LEU 89 -10.486 28.590 -25.077 651 2HB LEU 89 1HB LEU 89 -8.830 28.988 -25.485 652 HG LEU 89 HG LEU 89 -8.638 27.049 -26.893 653 1HD1 LEU 89 1HD1 LEU 89 -11.233 26.003 -27.045 654 2HD1 LEU 89 2HD1 LEU 89 -10.850 26.101 -25.327 655 3HD1 LEU 89 3HD1 LEU 89 -9.788 25.213 -26.417 656 1HD2 LEU 89 1HD2 LEU 89 -10.328 29.201 -27.375 657 2HD2 LEU 89 2HD2 LEU 89 -11.241 27.790 -27.909 658 3HD2 LEU 89 3HD2 LEU 89 -9.638 28.107 -28.574 659 H ASN 90 H ASN 90 -6.604 28.074 -23.689 660 HA ASN 90 HA ASN 90 -5.196 26.509 -25.446 661 1HB ASN 90 2HB ASN 90 -4.267 28.344 -24.016 662 2HB ASN 90 1HB ASN 90 -4.251 27.218 -22.663 663 1HD2 ASN 90 1HD2 ASN 90 -2.468 26.096 -22.353 664 2HD2 ASN 90 2HD2 ASN 90 -1.211 25.847 -23.512 665 H THR 91 H THR 91 -6.061 25.665 -22.090 666 HA THR 91 HA THR 91 -4.794 23.165 -22.047 667 HB THR 91 HB THR 91 -6.809 22.785 -20.297 668 HG1 THR 91 1HG THR 91 -7.850 24.721 -20.880 669 1HG2 THR 91 1HG2 THR 91 -4.465 22.869 -19.669 670 2HG2 THR 91 2HG2 THR 91 -5.453 23.838 -18.577 671 3HG2 THR 91 3HG2 THR 91 -4.480 24.627 -19.819 672 H PHE 92 H PHE 92 -7.570 24.082 -23.818 673 HA PHE 92 HA PHE 92 -8.647 21.375 -23.847 674 1HB PHE 92 2HB PHE 92 -9.642 24.029 -24.827 675 2HB PHE 92 1HB PHE 92 -10.343 22.544 -25.445 676 HD1 PHE 92 2HD PHE 92 -9.847 24.596 -22.438 677 HD2 PHE 92 1HD PHE 92 -11.795 21.209 -24.124 678 HE1 PHE 92 2HE PHE 92 -11.321 24.470 -20.473 679 HE2 PHE 92 1HE PHE 92 -13.274 21.077 -22.163 680 HZ PHE 92 HZ PHE 92 -13.038 22.709 -20.333 681 H THR 93 H THR 93 -6.620 23.436 -25.706 682 HA THR 93 HA THR 93 -5.512 23.165 -27.667 683 HB THR 93 HB THR 93 -4.745 21.038 -28.193 684 HG1 THR 93 1HG THR 93 -7.347 20.245 -27.603 685 1HG2 THR 93 1HG2 THR 93 -5.767 20.426 -25.443 686 2HG2 THR 93 2HG2 THR 93 -4.434 21.545 -25.736 687 3HG2 THR 93 3HG2 THR 93 -4.292 19.855 -26.224 688 H VAL 94 H VAL 94 -6.260 21.060 -29.702 689 HA VAL 94 HA VAL 94 -8.724 22.339 -30.687 690 HB VAL 94 HB VAL 94 -6.487 21.292 -32.416 691 1HG1 VAL 94 1HG1 VAL 94 -7.711 21.895 -34.217 692 2HG1 VAL 94 2HG1 VAL 94 -8.438 23.278 -33.398 693 3HG1 VAL 94 3HG1 VAL 94 -9.058 21.653 -33.107 694 1HG2 VAL 94 1HG2 VAL 94 -6.427 23.954 -32.807 695 2HG2 VAL 94 2HG2 VAL 94 -5.395 23.115 -31.649 696 3HG2 VAL 94 3HG2 VAL 94 -6.874 23.905 -31.101 697 H GLU 95 H GLU 95 -6.715 19.444 -31.137 698 HA GLU 95 HA GLU 95 -8.737 17.859 -32.287 699 1HB GLU 95 2HB GLU 95 -7.224 15.977 -31.889 700 2HB GLU 95 1HB GLU 95 -6.364 17.358 -32.557 701 1HG GLU 95 2HG GLU 95 -5.941 17.866 -29.995 702 2HG GLU 95 1HG GLU 95 -6.184 16.124 -29.869 703 H GLN 96 H GLN 96 -8.151 18.727 -29.014 704 HA GLN 96 HA GLN 96 -9.359 16.412 -27.841 705 1HB GLN 96 2HB GLN 96 -7.836 18.566 -26.913 706 2HB GLN 96 1HB GLN 96 -9.405 18.765 -26.142 707 1HG GLN 96 2HG GLN 96 -8.234 17.469 -24.631 708 2HG GLN 96 1HG GLN 96 -9.172 16.276 -25.528 709 1HE2 GLN 96 1HE2 GLN 96 -7.372 14.981 -24.456 710 2HE2 GLN 96 2HE2 GLN 96 -5.952 14.725 -25.406 711 H LEU 97 H LEU 97 -10.411 19.628 -28.736 712 HA LEU 97 HA LEU 97 -12.951 19.511 -27.514 713 1HB LEU 97 2HB LEU 97 -13.151 21.050 -29.900 714 2HB LEU 97 1HB LEU 97 -13.102 21.592 -28.243 715 HG LEU 97 HG LEU 97 -10.448 20.987 -29.236 716 1HD1 LEU 97 1HD1 LEU 97 -11.996 23.147 -30.641 717 2HD1 LEU 97 2HD1 LEU 97 -11.444 21.645 -31.373 718 3HD1 LEU 97 3HD1 LEU 97 -10.276 22.828 -30.800 719 1HD2 LEU 97 1HD2 LEU 97 -10.398 23.569 -28.581 720 2HD2 LEU 97 2HD2 LEU 97 -10.355 22.278 -27.383 721 3HD2 LEU 97 3HD2 LEU 97 -11.875 23.096 -27.742 722 H LYS 98 H LYS 98 -12.041 19.086 -30.918 723 HA LYS 98 HA LYS 98 -14.515 18.175 -31.826 724 1HB LYS 98 2HB LYS 98 -12.729 16.715 -33.369 725 2HB LYS 98 1HB LYS 98 -13.362 18.310 -33.735 726 1HG LYS 98 2HG LYS 98 -10.958 18.166 -32.007 727 2HG LYS 98 1HG LYS 98 -10.771 17.762 -33.713 728 1HD LYS 98 2HD LYS 98 -11.987 20.309 -32.650 729 2HD LYS 98 1HD LYS 98 -10.346 20.146 -33.275 730 1HE LYS 98 2HE LYS 98 -12.232 19.092 -35.168 731 2HE LYS 98 1HE LYS 98 -12.690 20.732 -34.712 732 1HZ LYS 98 1HZ LYS 98 -10.879 21.606 -35.694 733 2HZ LYS 98 2HZ LYS 98 -10.923 20.185 -36.611 734 3HZ LYS 98 3HZ LYS 98 -9.874 20.306 -35.290 735 H ALA 99 H ALA 99 -11.958 16.383 -30.185 736 HA ALA 99 HA ALA 99 -13.334 13.872 -30.580 737 1HB ALA 99 1HB ALA 99 -10.732 14.397 -30.317 738 2HB ALA 99 2HB ALA 99 -11.440 12.837 -29.898 739 3HB ALA 99 3HB ALA 99 -11.120 14.028 -28.638 740 H GLN 100 H GLN 100 -13.227 16.331 -28.233 741 HA GLN 100 HA GLN 100 -14.328 14.661 -26.135 742 1HB GLN 100 2HB GLN 100 -13.517 17.546 -26.287 743 2HB GLN 100 1HB GLN 100 -14.502 16.966 -24.954 744 1HG GLN 100 2HG GLN 100 -11.982 15.532 -25.635 745 2HG GLN 100 1HG GLN 100 -11.908 17.053 -24.747 746 1HE2 GLN 100 1HE2 GLN 100 -13.246 13.801 -24.712 747 2HE2 GLN 100 2HE2 GLN 100 -13.414 13.687 -22.998 748 H LEU 101 H LEU 101 -15.409 17.228 -28.309 749 HA LEU 101 HA LEU 101 -17.944 17.663 -27.250 750 1HB LEU 101 2HB LEU 101 -16.666 18.025 -29.889 751 2HB LEU 101 1HB LEU 101 -18.411 17.902 -29.925 752 HG LEU 101 HG LEU 101 -16.684 20.102 -28.981 753 1HD1 LEU 101 1HD1 LEU 101 -17.962 20.376 -30.969 754 2HD1 LEU 101 2HD1 LEU 101 -18.666 21.408 -29.724 755 3HD1 LEU 101 3HD1 LEU 101 -19.444 19.884 -30.151 756 1HD2 LEU 101 1HD2 LEU 101 -17.602 19.538 -26.834 757 2HD2 LEU 101 2HD2 LEU 101 -19.219 19.379 -27.516 758 3HD2 LEU 101 3HD2 LEU 101 -18.442 20.962 -27.443 759 H THR 102 H THR 102 -16.890 15.351 -29.713 760 HA THR 102 HA THR 102 -19.409 14.154 -30.121 761 HB THR 102 HB THR 102 -17.533 12.170 -30.645 762 HG1 THR 102 1HG THR 102 -15.835 13.587 -30.190 763 1HG2 THR 102 1HG2 THR 102 -17.566 13.234 -32.999 764 2HG2 THR 102 2HG2 THR 102 -18.778 14.307 -32.298 765 3HG2 THR 102 3HG2 THR 102 -19.049 12.564 -32.318 766 H GLU 103 H GLU 103 -16.735 13.437 -27.942 767 HA GLU 103 HA GLU 103 -18.049 11.121 -26.862 768 1HB GLU 103 2HB GLU 103 -15.495 12.561 -26.270 769 2HB GLU 103 1HB GLU 103 -16.122 11.395 -25.113 770 1HG GLU 103 2HG GLU 103 -16.112 9.674 -26.858 771 2HG GLU 103 1HG GLU 103 -15.447 10.847 -27.994 772 H ARG 104 H ARG 104 -18.499 14.354 -26.457 773 HA ARG 104 HA ARG 104 -19.239 14.166 -23.633 774 1HB ARG 104 2HB ARG 104 -17.886 16.095 -24.344 775 2HB ARG 104 1HB ARG 104 -19.157 16.572 -25.461 776 1HG ARG 104 2HG ARG 104 -20.647 17.075 -23.675 777 2HG ARG 104 1HG ARG 104 -19.560 16.353 -22.489 778 1HD ARG 104 2HD ARG 104 -18.002 18.251 -23.781 779 2HD ARG 104 1HD ARG 104 -19.576 19.028 -23.609 780 HE ARG 104 HE ARG 104 -19.063 17.954 -21.150 781 1HH1 ARG 104 1HH1 ARG 104 -17.396 20.171 -23.267 782 2HH1 ARG 104 2HH1 ARG 104 -16.642 21.039 -21.972 783 1HH2 ARG 104 1HH2 ARG 104 -18.073 19.094 -19.444 784 2HH2 ARG 104 2HH2 ARG 104 -17.025 20.427 -19.801 785 H GLY 105 H GLY 105 -20.651 13.998 -26.731 786 1HA GLY 105 2HA GLY 105 -22.931 13.201 -26.861 787 2HA GLY 105 1HA GLY 105 -23.315 14.226 -25.489 788 H ILE 106 H ILE 106 -21.293 15.709 -27.827 789 HA ILE 106 HA ILE 106 -23.555 17.359 -28.676 790 HB ILE 106 HB ILE 106 -20.577 17.803 -28.929 791 1HG1 ILE 106 2HG1 ILE 106 -21.155 19.768 -27.426 792 2HG1 ILE 106 1HG1 ILE 106 -22.739 19.031 -27.215 793 1HG2 ILE 106 1HG2 ILE 106 -21.453 20.174 -29.586 794 2HG2 ILE 106 2HG2 ILE 106 -22.898 19.291 -30.078 795 3HG2 ILE 106 3HG2 ILE 106 -21.339 18.905 -30.806 796 1HD1 ILE 106 1HD1 ILE 106 -20.561 17.178 -26.714 797 2HD1 ILE 106 2HD1 ILE 106 -21.968 17.571 -25.729 798 3HD1 ILE 106 3HD1 ILE 106 -20.529 18.589 -25.658 799 H THR 107 H THR 107 -21.163 15.135 -29.906 800 HA THR 107 HA THR 107 -20.752 14.274 -31.979 801 HB THR 107 HB THR 107 -22.920 13.766 -33.263 802 HG1 THR 107 1HG THR 107 -24.130 14.594 -30.848 803 1HG2 THR 107 1HG2 THR 107 -21.814 12.555 -31.001 804 2HG2 THR 107 2HG2 THR 107 -22.912 11.842 -32.184 805 3HG2 THR 107 3HG2 THR 107 -23.557 12.603 -30.730 806 H PHE 108 H PHE 108 -20.671 17.217 -31.787 807 HA PHE 108 HA PHE 108 -20.379 19.013 -33.158 808 1HB PHE 108 2HB PHE 108 -20.389 16.856 -35.282 809 2HB PHE 108 1HB PHE 108 -19.943 18.532 -35.574 810 HD1 PHE 108 2HD PHE 108 -19.077 16.114 -32.858 811 HD2 PHE 108 1HD PHE 108 -17.688 18.675 -35.957 812 HE1 PHE 108 2HE PHE 108 -16.762 15.593 -32.241 813 HE2 PHE 108 1HE PHE 108 -15.363 18.154 -35.347 814 HZ PHE 108 HZ PHE 108 -14.899 16.612 -33.485 815 H LYS 109 H LYS 109 -21.356 19.872 -35.490 816 HA LYS 109 HA LYS 109 -23.998 19.193 -36.129 817 1HB LYS 109 2HB LYS 109 -23.692 20.875 -33.777 818 2HB LYS 109 1HB LYS 109 -24.642 21.672 -35.024 819 1HG LYS 109 2HG LYS 109 -25.289 18.855 -34.324 820 2HG LYS 109 1HG LYS 109 -25.773 20.144 -33.220 821 1HD LYS 109 2HD LYS 109 -27.034 21.230 -34.952 822 2HD LYS 109 1HD LYS 109 -26.428 20.099 -36.164 823 1HE LYS 109 2HE LYS 109 -28.732 19.589 -35.428 824 2HE LYS 109 1HE LYS 109 -27.600 18.275 -35.114 825 1HZ LYS 109 1HZ LYS 109 -29.133 18.749 -33.250 826 2HZ LYS 109 2HZ LYS 109 -28.425 20.276 -33.083 827 3HZ LYS 109 3HZ LYS 109 -27.500 18.884 -32.822 828 H GLN 110 H GLN 110 -25.115 21.121 -37.310 829 HA GLN 110 HA GLN 110 -23.508 21.899 -39.437 830 1HB GLN 110 2HB GLN 110 -26.052 21.855 -39.309 831 2HB GLN 110 1HB GLN 110 -25.946 23.427 -38.531 832 1HG GLN 110 2HG GLN 110 -24.376 23.672 -40.805 833 2HG GLN 110 1HG GLN 110 -25.772 22.731 -41.327 834 1HE2 GLN 110 1HE2 GLN 110 -25.298 25.412 -39.048 835 2HE2 GLN 110 2HE2 GLN 110 -26.510 26.435 -39.732 836 H SER 111 H SER 111 -24.092 23.456 -36.372 837 HA SER 111 HA SER 111 -22.644 25.852 -37.212 838 1HB SER 111 2HB SER 111 -24.821 25.615 -35.625 839 2HB SER 111 1HB SER 111 -23.550 25.586 -34.402 840 HG SER 111 HG SER 111 -23.253 27.637 -34.715 841 H ALA 112 H ALA 112 -22.303 23.003 -35.233 842 HA ALA 112 HA ALA 112 -19.911 23.922 -33.912 843 1HB ALA 112 1HB ALA 112 -21.060 22.446 -32.569 844 2HB ALA 112 2HB ALA 112 -19.841 21.390 -33.282 845 3HB ALA 112 3HB ALA 112 -21.488 21.388 -33.913 846 H THR 113 H THR 113 -19.212 24.387 -36.345 847 HA THR 113 HA THR 113 -18.168 22.191 -37.822 848 HB THR 113 HB THR 113 -17.132 24.995 -38.086 849 HG1 THR 113 1HG THR 113 -19.701 24.043 -38.769 850 1HG2 THR 113 1HG2 THR 113 -16.574 24.452 -40.179 851 2HG2 THR 113 2HG2 THR 113 -18.034 23.495 -40.431 852 3HG2 THR 113 3HG2 THR 113 -16.656 22.796 -39.581 853 H LYS 114 H LYS 114 -16.390 24.857 -36.251 854 HA LYS 114 HA LYS 114 -14.572 23.036 -34.979 855 1HB LYS 114 2HB LYS 114 -12.550 23.819 -36.110 856 2HB LYS 114 1HB LYS 114 -13.649 23.054 -37.250 857 1HG LYS 114 2HG LYS 114 -14.441 25.324 -37.902 858 2HG LYS 114 1HG LYS 114 -13.175 26.001 -36.877 859 1HD LYS 114 2HD LYS 114 -12.174 25.985 -38.969 860 2HD LYS 114 1HD LYS 114 -11.591 24.481 -38.255 861 1HE LYS 114 2HE LYS 114 -12.257 23.955 -40.463 862 2HE LYS 114 1HE LYS 114 -13.516 23.326 -39.402 863 1HZ LYS 114 1HZ LYS 114 -14.814 25.344 -39.874 864 2HZ LYS 114 2HZ LYS 114 -14.511 24.433 -41.265 865 3HZ LYS 114 3HZ LYS 114 -13.627 25.844 -40.972 866 H ALA 115 H ALA 115 -15.118 26.375 -36.011 867 HA ALA 115 HA ALA 115 -13.662 27.489 -33.816 868 1HB ALA 115 1HB ALA 115 -13.955 29.478 -34.839 869 2HB ALA 115 2HB ALA 115 -15.664 29.181 -35.160 870 3HB ALA 115 3HB ALA 115 -14.434 28.472 -36.206 871 H GLU 116 H GLU 116 -16.866 26.328 -34.277 872 HA GLU 116 HA GLU 116 -17.973 27.822 -32.056 873 1HB GLU 116 2HB GLU 116 -19.088 25.705 -33.888 874 2HB GLU 116 1HB GLU 116 -19.985 26.317 -32.505 875 1HG GLU 116 2HG GLU 116 -19.056 27.862 -34.910 876 2HG GLU 116 1HG GLU 116 -20.714 27.481 -34.450 877 H LEU 117 H LEU 117 -16.841 24.550 -32.725 878 HA LEU 117 HA LEU 117 -17.703 23.467 -30.228 879 1HB LEU 117 2HB LEU 117 -16.164 21.589 -30.763 880 2HB LEU 117 1HB LEU 117 -17.321 21.934 -32.030 881 HG LEU 117 HG LEU 117 -15.398 23.304 -33.107 882 1HD1 LEU 117 1HD1 LEU 117 -13.379 23.257 -32.185 883 2HD1 LEU 117 2HD1 LEU 117 -13.421 21.500 -32.050 884 3HD1 LEU 117 3HD1 LEU 117 -14.104 22.497 -30.772 885 1HD2 LEU 117 1HD2 LEU 117 -15.988 20.445 -33.092 886 2HD2 LEU 117 2HD2 LEU 117 -14.374 20.843 -33.680 887 3HD2 LEU 117 3HD2 LEU 117 -15.794 21.559 -34.445 888 H ILE 118 H ILE 118 -14.742 24.920 -31.420 889 HA ILE 118 HA ILE 118 -13.196 24.324 -29.119 890 HB ILE 118 HB ILE 118 -12.267 24.902 -31.379 891 1HG1 ILE 118 2HG1 ILE 118 -10.931 26.846 -29.637 892 2HG1 ILE 118 1HG1 ILE 118 -11.203 25.273 -28.892 893 1HG2 ILE 118 1HG2 ILE 118 -13.616 26.823 -31.946 894 2HG2 ILE 118 2HG2 ILE 118 -11.912 27.264 -31.931 895 3HG2 ILE 118 3HG2 ILE 118 -12.948 27.727 -30.584 896 1HD1 ILE 118 1HD1 ILE 118 -9.294 26.062 -30.900 897 2HD1 ILE 118 2HD1 ILE 118 -10.254 24.677 -31.419 898 3HD1 ILE 118 3HD1 ILE 118 -9.352 24.609 -29.905 899 H ALA 119 H ALA 119 -15.471 26.823 -29.908 900 HA ALA 119 HA ALA 119 -14.641 28.544 -27.724 901 1HB ALA 119 1HB ALA 119 -16.951 29.640 -28.543 902 2HB ALA 119 2HB ALA 119 -16.507 28.752 -30.000 903 3HB ALA 119 3HB ALA 119 -15.400 29.947 -29.324 904 H LEU 120 H LEU 120 -17.135 26.215 -28.475 905 HA LEU 120 HA LEU 120 -18.898 26.793 -26.367 906 1HB LEU 120 2HB LEU 120 -18.653 24.841 -28.436 907 2HB LEU 120 1HB LEU 120 -19.009 24.016 -26.930 908 HG LEU 120 HG LEU 120 -21.005 25.411 -26.626 909 1HD1 LEU 120 1HD1 LEU 120 -21.770 26.811 -28.530 910 2HD1 LEU 120 2HD1 LEU 120 -20.182 26.601 -29.268 911 3HD1 LEU 120 3HD1 LEU 120 -20.332 27.433 -27.720 912 1HD2 LEU 120 1HD2 LEU 120 -21.263 23.294 -27.756 913 2HD2 LEU 120 2HD2 LEU 120 -20.818 24.026 -29.297 914 3HD2 LEU 120 3HD2 LEU 120 -22.322 24.491 -28.502 915 H PHE 121 H PHE 121 -16.031 24.728 -26.507 916 HA PHE 121 HA PHE 121 -16.468 23.389 -24.075 917 1HB PHE 121 2HB PHE 121 -14.175 23.805 -25.895 918 2HB PHE 121 1HB PHE 121 -13.776 23.382 -24.231 919 HD1 PHE 121 2HD PHE 121 -14.937 21.326 -23.237 920 HD2 PHE 121 1HD PHE 121 -14.783 22.159 -27.402 921 HE1 PHE 121 2HE PHE 121 -15.417 18.966 -23.722 922 HE2 PHE 121 1HE PHE 121 -15.256 19.809 -27.896 923 HZ PHE 121 HZ PHE 121 -15.585 18.207 -26.056 924 H ALA 122 H ALA 122 -17.221 25.036 -22.660 925 HA ALA 122 HA ALA 122 -15.027 26.523 -21.393 926 1HB ALA 122 1HB ALA 122 -16.642 28.398 -20.980 927 2HB ALA 122 2HB ALA 122 -17.741 27.612 -22.113 928 3HB ALA 122 3HB ALA 122 -16.166 28.183 -22.665 929 HA PRO 123 HA PRO 123 -16.506 24.828 -17.604 930 1HB PRO 123 2HB PRO 123 -16.038 26.877 -15.863 931 2HB PRO 123 1HB PRO 123 -14.764 25.836 -16.508 932 1HG PRO 123 2HG PRO 123 -15.606 28.569 -17.391 933 2HG PRO 123 1HG PRO 123 -13.970 27.911 -17.190 934 1HD PRO 123 2HD PRO 123 -15.138 28.125 -19.610 935 2HD PRO 123 1HD PRO 123 -14.036 26.791 -19.211 936 H ALA 124 H ALA 124 -18.731 25.031 -18.649 937 HA ALA 124 HA ALA 124 -20.392 26.752 -16.941 938 1HB ALA 124 1HB ALA 124 -20.585 26.433 -19.924 939 2HB ALA 124 2HB ALA 124 -20.414 27.918 -18.989 940 3HB ALA 124 3HB ALA 124 -21.930 27.017 -18.943 941 H ASP 125 H ASP 125 -20.354 23.978 -19.162 942 HA ASP 125 HA ASP 125 -22.837 22.908 -18.363 943 1HB ASP 125 2HB ASP 125 -20.416 21.617 -19.630 944 2HB ASP 125 1HB ASP 125 -21.940 20.773 -19.372 945 H GLY 126 H GLY 126 -23.068 20.730 -17.297 946 1HA GLY 126 2HA GLY 126 -21.873 20.864 -14.689 947 2HA GLY 126 1HA GLY 126 -23.022 19.659 -15.249 948 H GLU 127 H GLU 127 -21.719 18.521 -17.360 949 HA GLU 127 HA GLU 127 -19.969 16.725 -16.093 950 1HB GLU 127 2HB GLU 127 -20.919 17.201 -18.851 951 2HB GLU 127 1HB GLU 127 -19.383 16.356 -18.713 952 1HG GLU 127 2HG GLU 127 -20.352 14.472 -18.034 953 2HG GLU 127 1HG GLU 127 -21.417 15.318 -16.912 954 H LYS 128 H LYS 128 -17.738 16.430 -16.252 955 HA LYS 128 HA LYS 128 -16.250 18.872 -16.934 956 1HB LYS 128 2HB LYS 128 -15.857 16.722 -14.899 957 2HB LYS 128 1HB LYS 128 -14.440 17.555 -15.523 958 1HG LYS 128 2HG LYS 128 -14.877 19.420 -14.371 959 2HG LYS 128 1HG LYS 128 -16.607 19.343 -14.713 960 1HD LYS 128 2HD LYS 128 -15.617 17.265 -12.888 961 2HD LYS 128 1HD LYS 128 -15.487 18.913 -12.270 962 1HE LYS 128 2HE LYS 128 -17.601 18.202 -11.570 963 2HE LYS 128 1HE LYS 128 -17.924 19.180 -13.002 964 1HZ LYS 128 1HZ LYS 128 -17.794 16.923 -14.216 965 2HZ LYS 128 2HZ LYS 128 -19.201 17.314 -13.361 966 3HZ LYS 128 3HZ LYS 128 -18.067 16.256 -12.684 967 H SER 129 H SER 129 -14.143 18.640 -17.921 968 HA SER 129 HA SER 129 -14.179 16.884 -20.142 969 1HB SER 129 2HB SER 129 -12.956 19.218 -19.704 970 2HB SER 129 1HB SER 129 -11.614 18.145 -19.306 971 HG SER 129 HG SER 129 -12.124 17.116 -21.406 972 H GLU 130 H GLU 130 -13.921 14.757 -19.935 973 HA GLU 130 HA GLU 130 -12.368 13.587 -17.827 974 1HB GLU 130 2HB GLU 130 -14.432 12.724 -19.459 975 2HB GLU 130 1HB GLU 130 -13.049 11.807 -20.039 976 1HG GLU 130 2HG GLU 130 -13.849 11.949 -17.147 977 2HG GLU 130 1HG GLU 130 -14.408 10.699 -18.256 978 H ALA 131 H ALA 131 -11.975 14.028 -21.313 979 HA ALA 131 HA ALA 131 -10.161 13.891 -22.679 980 1HB ALA 131 1HB ALA 131 -8.193 13.918 -20.484 981 2HB ALA 131 2HB ALA 131 -9.320 15.274 -20.529 982 3HB ALA 131 3HB ALA 131 -8.303 14.927 -21.927 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 14.525 -8.498 26.103 2 2H GLY 1 2HT GLY 1 16.089 -8.382 26.737 3 3H GLY 1 3HT GLY 1 15.764 -7.811 25.178 4 1HA GLY 1 1HA GLY 1 14.192 -6.173 26.182 5 2HA GLY 1 2HA GLY 1 14.814 -6.674 27.747 6 H SER 2 H SER 2 15.800 -5.347 24.612 7 HA SER 2 HA SER 2 17.309 -3.262 25.712 8 1HB SER 2 2HB SER 2 19.606 -4.109 25.003 9 2HB SER 2 1HB SER 2 18.933 -4.832 26.465 10 HG SER 2 HG SER 2 18.791 -5.969 23.867 11 H HIS 3 H HIS 3 16.770 -1.855 24.165 12 HA HIS 3 HA HIS 3 17.785 -2.246 21.493 13 1HB HIS 3 2HB HIS 3 14.808 -1.908 21.919 14 2HB HIS 3 1HB HIS 3 15.633 -1.934 20.364 15 HD1 HIS 3 1HD HIS 3 16.826 -4.288 19.764 16 HD2 HIS 3 2HD HIS 3 14.023 -4.351 22.832 17 HE1 HIS 3 1HE HIS 3 16.202 -6.706 20.053 18 HE2 HIS 3 2HE HIS 3 14.569 -6.729 21.972 19 H MET 4 H MET 4 19.014 -0.398 21.951 20 HA MET 4 HA MET 4 17.819 2.056 22.797 21 1HB MET 4 2HB MET 4 20.519 1.169 21.929 22 2HB MET 4 1HB MET 4 20.157 2.884 21.779 23 1HG MET 4 2HG MET 4 20.185 3.223 23.998 24 2HG MET 4 1HG MET 4 19.442 1.666 24.355 25 1HE MET 4 1HE MET 4 22.118 -0.658 25.185 26 2HE MET 4 2HE MET 4 21.475 -0.740 23.545 27 3HE MET 4 3HE MET 4 20.416 -0.307 24.887 28 H ASP 5 H ASP 5 19.654 1.516 19.799 29 HA ASP 5 HA ASP 5 18.010 3.477 18.432 30 1HB ASP 5 2HB ASP 5 20.314 1.835 17.356 31 2HB ASP 5 1HB ASP 5 19.595 3.254 16.600 32 H LYS 6 H LYS 6 17.513 2.796 15.999 33 HA LYS 6 HA LYS 6 16.898 0.120 15.424 34 1HB LYS 6 2HB LYS 6 15.112 1.261 17.270 35 2HB LYS 6 1HB LYS 6 14.254 1.235 15.736 36 1HG LYS 6 2HG LYS 6 15.054 -1.224 15.608 37 2HG LYS 6 1HG LYS 6 15.319 -1.046 17.343 38 1HD LYS 6 2HD LYS 6 12.926 -0.190 17.464 39 2HD LYS 6 1HD LYS 6 12.742 -0.788 15.814 40 1HE LYS 6 2HE LYS 6 12.640 -2.929 16.477 41 2HE LYS 6 1HE LYS 6 13.937 -2.724 17.654 42 1HZ LYS 6 1HZ LYS 6 12.223 -3.049 19.071 43 2HZ LYS 6 2HZ LYS 6 11.054 -2.461 17.999 44 3HZ LYS 6 3HZ LYS 6 12.022 -1.381 18.869 45 H THR 7 H THR 7 17.227 0.266 13.306 46 HA THR 7 HA THR 7 15.443 1.894 11.705 47 HB THR 7 HB THR 7 17.250 3.455 12.084 48 HG1 THR 7 1HG THR 7 17.918 3.721 9.897 49 1HG2 THR 7 1HG2 THR 7 19.420 2.364 10.708 50 2HG2 THR 7 2HG2 THR 7 18.903 1.133 11.864 51 3HG2 THR 7 3HG2 THR 7 19.317 2.755 12.426 52 H PHE 8 H PHE 8 14.865 0.791 9.950 53 HA PHE 8 HA PHE 8 16.705 -1.123 8.746 54 1HB PHE 8 2HB PHE 8 14.468 -2.660 8.739 55 2HB PHE 8 1HB PHE 8 15.768 -2.807 9.920 56 HD1 PHE 8 2HD PHE 8 15.535 -1.791 12.146 57 HD2 PHE 8 1HD PHE 8 12.331 -1.826 9.331 58 HE1 PHE 8 2HE PHE 8 13.943 -1.309 13.961 59 HE2 PHE 8 1HE PHE 8 10.739 -1.344 11.153 60 HZ PHE 8 HZ PHE 8 11.541 -1.084 13.463 61 H CYS 9 H CYS 9 16.122 -1.823 6.650 62 HA CYS 9 HA CYS 9 14.355 0.052 5.258 63 1HB CYS 9 2HB CYS 9 15.333 -0.981 3.196 64 2HB CYS 9 1HB CYS 9 16.538 -0.241 4.245 65 HG CYS 9 HG CYS 9 16.985 -2.823 3.257 66 H VAL 10 H VAL 10 12.327 -0.572 4.725 67 HA VAL 10 HA VAL 10 11.685 -3.437 4.927 68 HB VAL 10 HB VAL 10 10.500 -1.297 6.217 69 1HG1 VAL 10 1HG1 VAL 10 8.446 -2.260 4.255 70 2HG1 VAL 10 2HG1 VAL 10 9.388 -0.798 3.970 71 3HG1 VAL 10 3HG1 VAL 10 8.349 -0.912 5.387 72 1HG2 VAL 10 1HG2 VAL 10 10.471 -3.974 6.396 73 2HG2 VAL 10 2HG2 VAL 10 8.814 -3.677 5.874 74 3HG2 VAL 10 3HG2 VAL 10 9.427 -2.917 7.342 75 H VAL 11 H VAL 11 10.175 -4.350 3.445 76 HA VAL 11 HA VAL 11 9.765 -2.812 1.007 77 HB VAL 11 HB VAL 11 11.736 -3.977 0.507 78 1HG1 VAL 11 1HG1 VAL 11 11.979 -5.575 2.152 79 2HG1 VAL 11 2HG1 VAL 11 11.751 -6.536 0.690 80 3HG1 VAL 11 3HG1 VAL 11 10.411 -6.310 1.815 81 1HG2 VAL 11 1HG2 VAL 11 10.117 -4.025 -1.301 82 2HG2 VAL 11 2HG2 VAL 11 9.420 -5.515 -0.665 83 3HG2 VAL 11 3HG2 VAL 11 11.065 -5.512 -1.301 84 H VAL 12 H VAL 12 7.812 -2.987 0.192 85 HA VAL 12 HA VAL 12 5.981 -4.979 1.317 86 HB VAL 12 HB VAL 12 4.256 -3.537 0.015 87 1HG1 VAL 12 1HG1 VAL 12 4.027 -3.358 2.276 88 2HG1 VAL 12 2HG1 VAL 12 4.553 -1.715 1.907 89 3HG1 VAL 12 3HG1 VAL 12 5.711 -2.895 2.521 90 1HG2 VAL 12 1HG2 VAL 12 6.316 -2.348 -1.124 91 2HG2 VAL 12 2HG2 VAL 12 6.224 -1.325 0.310 92 3HG2 VAL 12 3HG2 VAL 12 4.832 -1.467 -0.764 93 H GLN 13 H GLN 13 6.073 -6.834 0.200 94 HA GLN 13 HA GLN 13 6.040 -6.692 -2.741 95 1HB GLN 13 2HB GLN 13 6.509 -9.291 -1.388 96 2HB GLN 13 1HB GLN 13 7.240 -8.634 -2.846 97 1HG GLN 13 2HG GLN 13 8.667 -7.196 -1.505 98 2HG GLN 13 1HG GLN 13 7.909 -7.800 -0.032 99 1HE2 GLN 13 1HE2 GLN 13 7.784 -10.448 -0.395 100 2HE2 GLN 13 2HE2 GLN 13 9.364 -11.124 -0.577 101 H ASN 14 H ASN 14 3.990 -6.709 -3.440 102 HA ASN 14 HA ASN 14 2.276 -8.897 -2.509 103 1HB ASN 14 2HB ASN 14 1.783 -6.042 -2.152 104 2HB ASN 14 1HB ASN 14 0.465 -6.863 -2.985 105 1HD2 ASN 14 1HD2 ASN 14 -0.865 -8.169 -1.865 106 2HD2 ASN 14 2HD2 ASN 14 -0.718 -8.496 -0.175 107 H ARG 15 H ARG 15 0.836 -9.700 -4.015 108 HA ARG 15 HA ARG 15 0.990 -8.581 -6.726 109 1HB ARG 15 2HB ARG 15 2.313 -10.894 -5.948 110 2HB ARG 15 1HB ARG 15 0.845 -11.493 -6.707 111 1HG ARG 15 2HG ARG 15 1.383 -10.579 -8.767 112 2HG ARG 15 1HG ARG 15 2.518 -9.424 -8.068 113 1HD ARG 15 2HD ARG 15 3.296 -12.145 -7.485 114 2HD ARG 15 1HD ARG 15 3.118 -11.890 -9.221 115 HE ARG 15 HE ARG 15 4.580 -9.760 -8.457 116 1HH1 ARG 15 1HH1 ARG 15 4.934 -13.187 -7.896 117 2HH1 ARG 15 2HH1 ARG 15 6.662 -13.121 -7.809 118 1HH2 ARG 15 1HH2 ARG 15 6.853 -9.672 -8.342 119 2HH2 ARG 15 2HH2 ARG 15 7.752 -11.126 -8.062 120 H ILE 16 H ILE 16 -1.102 -7.743 -6.438 121 HA ILE 16 HA ILE 16 -3.210 -9.796 -6.497 122 HB ILE 16 HB ILE 16 -3.510 -7.098 -5.174 123 1HG1 ILE 16 2HG1 ILE 16 -3.323 -9.783 -3.807 124 2HG1 ILE 16 1HG1 ILE 16 -1.934 -8.722 -4.015 125 1HG2 ILE 16 1HG2 ILE 16 -5.349 -9.330 -4.607 126 2HG2 ILE 16 2HG2 ILE 16 -5.457 -8.623 -6.220 127 3HG2 ILE 16 3HG2 ILE 16 -5.675 -7.607 -4.795 128 1HD1 ILE 16 1HD1 ILE 16 -2.839 -8.438 -1.814 129 2HD1 ILE 16 2HD1 ILE 16 -4.444 -8.120 -2.473 130 3HD1 ILE 16 3HD1 ILE 16 -3.133 -6.974 -2.752 131 H LYS 17 H LYS 17 -2.751 -6.288 -7.096 132 HA LYS 17 HA LYS 17 -3.937 -6.666 -9.745 133 1HB LYS 17 2HB LYS 17 -4.842 -4.435 -7.929 134 2HB LYS 17 1HB LYS 17 -5.502 -4.878 -9.496 135 1HG LYS 17 2HG LYS 17 -5.734 -7.174 -7.923 136 2HG LYS 17 1HG LYS 17 -6.199 -5.832 -6.878 137 1HD LYS 17 2HD LYS 17 -8.209 -5.968 -7.845 138 2HD LYS 17 1HD LYS 17 -7.451 -5.242 -9.263 139 1HE LYS 17 2HE LYS 17 -6.825 -7.946 -9.437 140 2HE LYS 17 1HE LYS 17 -8.499 -7.913 -8.885 141 1HZ LYS 17 1HZ LYS 17 -7.422 -7.276 -11.455 142 2HZ LYS 17 2HZ LYS 17 -8.414 -6.040 -10.863 143 3HZ LYS 17 3HZ LYS 17 -9.019 -7.612 -11.010 144 H GLU 18 H GLU 18 -1.343 -5.633 -8.128 145 HA GLU 18 HA GLU 18 0.322 -4.112 -8.467 146 1HB GLU 18 2HB GLU 18 -0.747 -4.403 -11.276 147 2HB GLU 18 1HB GLU 18 0.740 -3.550 -10.885 148 1HG GLU 18 2HG GLU 18 0.545 -6.271 -9.802 149 2HG GLU 18 1HG GLU 18 0.597 -6.162 -11.560 150 H GLY 19 H GLY 19 -2.383 -3.087 -7.807 151 1HA GLY 19 2HA GLY 19 -1.861 -0.347 -7.845 152 2HA GLY 19 1HA GLY 19 -2.910 -0.695 -9.212 153 H TYR 20 H TYR 20 -2.642 -1.390 -5.736 154 HA TYR 20 HA TYR 20 -5.571 -1.354 -5.558 155 1HB TYR 20 2HB TYR 20 -4.324 -3.360 -4.720 156 2HB TYR 20 1HB TYR 20 -3.582 -2.332 -3.503 157 HD1 TYR 20 1HD TYR 20 -6.939 -1.329 -4.128 158 HD2 TYR 20 2HD TYR 20 -4.598 -4.200 -2.031 159 HE1 TYR 20 1HE TYR 20 -8.830 -1.763 -2.618 160 HE2 TYR 20 2HE TYR 20 -6.482 -4.641 -0.520 161 HH TYR 20 HH TYR 20 -8.729 -2.951 0.167 162 H ARG 21 H ARG 21 -3.888 1.041 -5.755 163 HA ARG 21 HA ARG 21 -3.764 3.124 -4.847 164 1HB ARG 21 2HB ARG 21 -6.031 2.092 -3.141 165 2HB ARG 21 1HB ARG 21 -5.579 3.783 -3.314 166 1HG ARG 21 2HG ARG 21 -7.039 1.999 -5.157 167 2HG ARG 21 1HG ARG 21 -7.275 3.710 -4.802 168 1HD ARG 21 2HD ARG 21 -5.287 4.251 -6.136 169 2HD ARG 21 1HD ARG 21 -5.068 2.538 -6.497 170 HE ARG 21 HE ARG 21 -6.649 2.744 -8.122 171 1HH1 ARG 21 1HH1 ARG 21 -7.067 5.371 -5.862 172 2HH1 ARG 21 2HH1 ARG 21 -8.313 6.137 -6.790 173 1HH2 ARG 21 1HH2 ARG 21 -8.286 3.751 -9.344 174 2HH2 ARG 21 2HH2 ARG 21 -9.005 5.217 -8.766 175 H ARG 22 H ARG 22 -3.641 4.325 -2.630 176 HA ARG 22 HA ARG 22 -2.899 2.978 -0.313 177 1HB ARG 22 2HB ARG 22 -0.986 2.128 -1.473 178 2HB ARG 22 1HB ARG 22 -0.600 3.713 -2.124 179 1HG ARG 22 2HG ARG 22 0.890 3.782 -0.458 180 2HG ARG 22 1HG ARG 22 -0.497 4.208 0.543 181 1HD ARG 22 2HD ARG 22 -0.806 1.706 0.896 182 2HD ARG 22 1HD ARG 22 0.804 1.522 0.201 183 HE ARG 22 HE ARG 22 0.175 2.389 2.834 184 1HH1 ARG 22 1HH1 ARG 22 2.467 2.825 0.238 185 2HH1 ARG 22 2HH1 ARG 22 3.748 3.331 1.288 186 1HH2 ARG 22 1HH2 ARG 22 1.858 3.055 4.213 187 2HH2 ARG 22 2HH2 ARG 22 3.404 3.458 3.545 188 H ALA 23 H ALA 23 -0.872 5.577 -1.550 189 HA ALA 23 HA ALA 23 -1.879 7.335 0.532 190 1HB ALA 23 1HB ALA 23 0.264 7.960 -1.486 191 2HB ALA 23 2HB ALA 23 0.575 7.043 -0.010 192 3HB ALA 23 3HB ALA 23 -0.002 8.707 0.090 193 H GLY 24 H GLY 24 -1.871 7.028 -2.942 194 1HA GLY 24 2HA GLY 24 -4.198 8.273 -3.547 195 2HA GLY 24 1HA GLY 24 -3.063 9.613 -3.419 196 H PHE 25 H PHE 25 -2.483 6.347 -4.597 197 HA PHE 25 HA PHE 25 -2.509 7.052 -7.357 198 1HB PHE 25 2HB PHE 25 -0.188 7.062 -7.835 199 2HB PHE 25 1HB PHE 25 -0.375 8.121 -6.442 200 HD1 PHE 25 1HD PHE 25 -0.533 6.222 -4.213 201 HD2 PHE 25 2HD PHE 25 1.934 6.179 -7.687 202 HE1 PHE 25 1HE PHE 25 1.153 4.908 -2.999 203 HE2 PHE 25 2HE PHE 25 3.621 4.864 -6.474 204 HZ PHE 25 HZ PHE 25 3.232 4.227 -4.128 205 H SER 26 H SER 26 -1.543 5.208 -8.692 206 HA SER 26 HA SER 26 -2.552 2.735 -7.612 207 1HB SER 26 2HB SER 26 -1.089 2.867 -10.220 208 2HB SER 26 1HB SER 26 -2.515 1.928 -9.783 209 HG SER 26 HG SER 26 -2.311 4.599 -10.584 210 H PHE 27 H PHE 27 -0.770 3.002 -5.866 211 HA PHE 27 HA PHE 27 1.915 2.557 -6.351 212 1HB PHE 27 2HB PHE 27 2.112 2.344 -4.099 213 2HB PHE 27 1HB PHE 27 0.431 2.857 -4.103 214 HD1 PHE 27 1HD PHE 27 -1.338 0.968 -4.226 215 HD2 PHE 27 2HD PHE 27 2.710 0.359 -3.044 216 HE1 PHE 27 1HE PHE 27 -1.983 -1.119 -3.097 217 HE2 PHE 27 2HE PHE 27 2.070 -1.726 -1.917 218 HZ PHE 27 HZ PHE 27 -0.279 -2.469 -1.944 219 H HIS 28 H HIS 28 3.078 0.878 -7.096 220 HA HIS 28 HA HIS 28 1.762 -1.487 -7.985 221 1HB HIS 28 2HB HIS 28 4.725 -0.915 -7.767 222 2HB HIS 28 1HB HIS 28 3.995 -2.248 -8.657 223 HD1 HIS 28 1HD HIS 28 1.797 0.394 -9.329 224 HD2 HIS 28 2HD HIS 28 5.647 -0.505 -10.608 225 HE1 HIS 28 1HE HIS 28 2.115 1.688 -11.461 226 HE2 HIS 28 2HE HIS 28 4.419 1.059 -12.263 227 H LEU 29 H LEU 29 1.041 -2.939 -6.594 228 HA LEU 29 HA LEU 29 1.715 -3.342 -3.978 229 1HB LEU 29 2HB LEU 29 0.579 -5.085 -6.100 230 2HB LEU 29 1HB LEU 29 1.051 -5.836 -4.587 231 HG LEU 29 HG LEU 29 -0.396 -4.061 -3.450 232 1HD1 LEU 29 1HD1 LEU 29 -0.579 -2.646 -5.493 233 2HD1 LEU 29 2HD1 LEU 29 -2.124 -3.041 -4.740 234 3HD1 LEU 29 3HD1 LEU 29 -1.611 -3.890 -6.196 235 1HD2 LEU 29 1HD2 LEU 29 -2.514 -5.430 -4.452 236 2HD2 LEU 29 2HD2 LEU 29 -1.431 -6.038 -3.201 237 3HD2 LEU 29 3HD2 LEU 29 -1.179 -6.498 -4.884 238 H GLY 30 H GLY 30 3.425 -4.424 -6.799 239 1HA GLY 30 2HA GLY 30 4.977 -6.489 -5.955 240 2HA GLY 30 1HA GLY 30 5.564 -5.228 -7.028 241 H ASP 31 H ASP 31 7.336 -6.441 -5.442 242 HA ASP 31 HA ASP 31 7.756 -5.484 -2.882 243 1HB ASP 31 2HB ASP 31 10.249 -5.855 -3.463 244 2HB ASP 31 1HB ASP 31 9.155 -7.232 -3.504 245 H ASN 32 H ASN 32 8.031 -3.550 -2.110 246 HA ASN 32 HA ASN 32 9.416 -1.512 -3.736 247 1HB ASN 32 2HB ASN 32 6.773 -1.393 -2.910 248 2HB ASN 32 1HB ASN 32 7.614 -0.469 -1.669 249 1HD2 ASN 32 1HD2 ASN 32 5.790 0.696 -3.364 250 2HD2 ASN 32 2HD2 ASN 32 6.609 1.790 -4.420 251 H SER 33 H SER 33 11.226 -0.693 -2.767 252 HA SER 33 HA SER 33 11.854 -1.658 -0.113 253 1HB SER 33 2HB SER 33 14.019 -0.234 -0.656 254 2HB SER 33 1HB SER 33 13.763 -1.835 -1.351 255 HG SER 33 HG SER 33 14.036 -0.797 -3.169 256 H LEU 34 H LEU 34 12.341 -0.505 1.648 257 HA LEU 34 HA LEU 34 11.559 2.336 1.656 258 1HB LEU 34 2HB LEU 34 9.827 1.113 2.756 259 2HB LEU 34 1HB LEU 34 10.978 0.137 3.641 260 HG LEU 34 HG LEU 34 9.669 1.964 4.863 261 1HD1 LEU 34 1HD1 LEU 34 11.301 0.670 5.952 262 2HD1 LEU 34 2HD1 LEU 34 11.716 2.350 6.292 263 3HD1 LEU 34 3HD1 LEU 34 12.612 1.443 5.073 264 1HD2 LEU 34 1HD2 LEU 34 11.832 3.848 4.493 265 2HD2 LEU 34 2HD2 LEU 34 10.090 4.113 4.478 266 3HD2 LEU 34 3HD2 LEU 34 10.915 3.607 3.006 267 H ALA 35 H ALA 35 12.870 3.740 2.811 268 HA ALA 35 HA ALA 35 15.552 2.955 3.282 269 1HB ALA 35 1HB ALA 35 16.006 5.165 3.430 270 2HB ALA 35 2HB ALA 35 14.572 5.508 4.394 271 3HB ALA 35 3HB ALA 35 14.429 5.288 2.651 272 H ALA 36 H ALA 36 16.696 3.146 5.281 273 HA ALA 36 HA ALA 36 15.347 1.850 7.409 274 1HB ALA 36 1HB ALA 36 17.998 3.128 7.830 275 2HB ALA 36 2HB ALA 36 17.860 1.794 6.683 276 3HB ALA 36 3HB ALA 36 17.404 1.557 8.369 277 H VAL 37 H VAL 37 13.928 2.813 8.643 278 HA VAL 37 HA VAL 37 14.608 5.412 9.835 279 HB VAL 37 HB VAL 37 12.643 6.392 9.311 280 1HG1 VAL 37 1HG1 VAL 37 12.000 4.310 7.296 281 2HG1 VAL 37 2HG1 VAL 37 13.572 5.107 7.185 282 3HG1 VAL 37 3HG1 VAL 37 12.092 6.064 7.125 283 1HG2 VAL 37 1HG2 VAL 37 11.406 3.719 9.823 284 2HG2 VAL 37 2HG2 VAL 37 10.483 4.974 8.998 285 3HG2 VAL 37 3HG2 VAL 37 11.110 5.263 10.620 286 H SER 38 H SER 38 12.867 5.802 11.711 287 HA SER 38 HA SER 38 13.510 4.108 13.781 288 1HB SER 38 2HB SER 38 11.495 6.219 13.349 289 2HB SER 38 1HB SER 38 11.128 5.087 14.651 290 HG SER 38 HG SER 38 12.463 6.252 15.770 291 H GLU 39 H GLU 39 10.086 4.320 12.914 292 HA GLU 39 HA GLU 39 9.943 1.443 12.504 293 1HB GLU 39 2HB GLU 39 9.720 1.858 14.965 294 2HB GLU 39 1HB GLU 39 8.249 2.759 14.620 295 1HG GLU 39 2HG GLU 39 7.747 0.444 13.317 296 2HG GLU 39 1HG GLU 39 8.737 -0.133 14.655 297 H SER 40 H SER 40 8.716 4.593 12.024 298 HA SER 40 HA SER 40 6.111 4.402 11.367 299 1HB SER 40 2HB SER 40 7.963 5.803 9.465 300 2HB SER 40 1HB SER 40 6.370 6.303 10.034 301 HG SER 40 HG SER 40 8.604 7.134 10.972 302 H GLN 41 H GLN 41 8.763 3.461 9.165 303 HA GLN 41 HA GLN 41 7.272 2.865 6.921 304 1HB GLN 41 2HB GLN 41 9.058 1.099 6.471 305 2HB GLN 41 1HB GLN 41 9.555 2.773 6.615 306 1HG GLN 41 2HG GLN 41 11.090 1.234 7.739 307 2HG GLN 41 1HG GLN 41 10.364 2.389 8.851 308 1HE2 GLN 41 1HE2 GLN 41 10.045 1.471 10.706 309 2HE2 GLN 41 2HE2 GLN 41 9.407 -0.109 10.985 310 H LEU 42 H LEU 42 7.511 1.053 9.869 311 HA LEU 42 HA LEU 42 6.392 -1.339 8.714 312 1HB LEU 42 2HB LEU 42 7.971 -1.414 10.616 313 2HB LEU 42 1HB LEU 42 6.782 -0.600 11.615 314 HG LEU 42 HG LEU 42 5.301 -2.691 10.829 315 1HD1 LEU 42 1HD1 LEU 42 7.818 -4.159 11.262 316 2HD1 LEU 42 2HD1 LEU 42 7.631 -3.402 9.681 317 3HD1 LEU 42 3HD1 LEU 42 6.427 -4.557 10.254 318 1HD2 LEU 42 1HD2 LEU 42 6.064 -3.806 12.959 319 2HD2 LEU 42 2HD2 LEU 42 5.545 -2.128 13.116 320 3HD2 LEU 42 3HD2 LEU 42 7.264 -2.523 13.103 321 H ALA 43 H ALA 43 5.269 1.341 10.695 322 HA ALA 43 HA ALA 43 2.607 0.246 10.916 323 1HB ALA 43 1HB ALA 43 2.274 2.714 11.832 324 2HB ALA 43 2HB ALA 43 4.031 2.619 11.969 325 3HB ALA 43 3HB ALA 43 3.015 1.440 12.800 326 H GLN 44 H GLN 44 4.322 2.306 8.733 327 HA GLN 44 HA GLN 44 2.076 3.747 7.733 328 1HB GLN 44 2HB GLN 44 4.640 4.211 7.479 329 2HB GLN 44 1HB GLN 44 4.504 3.164 6.073 330 1HG GLN 44 2HG GLN 44 4.297 5.406 5.330 331 2HG GLN 44 1HG GLN 44 2.703 4.659 5.221 332 1HE2 GLN 44 1HE2 GLN 44 4.719 6.751 7.211 333 2HE2 GLN 44 2HE2 GLN 44 3.419 7.649 7.909 334 H LEU 45 H LEU 45 3.865 0.913 6.556 335 HA LEU 45 HA LEU 45 2.008 0.445 4.413 336 1HB LEU 45 2HB LEU 45 4.136 -1.399 5.485 337 2HB LEU 45 1HB LEU 45 3.364 -1.482 3.912 338 1HD1 LEU 45 1HD1 LEU 45 6.162 -0.829 2.687 339 2HD1 LEU 45 2HD1 LEU 45 5.949 -1.750 4.176 340 3HD1 LEU 45 3HD1 LEU 45 6.924 -0.282 4.178 341 1HD2 LEU 45 1HD2 LEU 45 4.712 1.804 2.856 342 2HD2 LEU 45 2HD2 LEU 45 3.230 0.849 2.902 343 3HD2 LEU 45 3HD2 LEU 45 4.618 0.279 1.976 344 H LYS 46 H LYS 46 2.595 -0.856 7.618 345 HA LYS 46 HA LYS 46 0.835 -3.069 7.420 346 1HB LYS 46 2HB LYS 46 2.588 -2.902 9.142 347 2HB LYS 46 1HB LYS 46 1.730 -1.557 9.882 348 1HG LYS 46 2HG LYS 46 0.248 -2.896 10.904 349 2HG LYS 46 1HG LYS 46 0.137 -3.998 9.530 350 1HD LYS 46 2HD LYS 46 2.672 -4.473 10.382 351 2HD LYS 46 1HD LYS 46 1.864 -4.101 11.906 352 1HE LYS 46 2HE LYS 46 0.603 -6.001 9.975 353 2HE LYS 46 1HE LYS 46 1.916 -6.552 11.014 354 1HZ LYS 46 1HZ LYS 46 -0.216 -5.083 12.331 355 2HZ LYS 46 2HZ LYS 46 0.627 -6.458 12.840 356 3HZ LYS 46 3HZ LYS 46 -0.640 -6.606 11.730 357 H ALA 47 H ALA 47 0.369 0.309 8.113 358 HA ALA 47 HA ALA 47 -2.010 0.375 9.476 359 1HB ALA 47 1HB ALA 47 -2.458 2.516 8.251 360 2HB ALA 47 2HB ALA 47 -1.041 2.170 7.260 361 3HB ALA 47 3HB ALA 47 -0.865 2.408 8.999 362 H ASP 48 H ASP 48 -1.457 -0.550 6.168 363 HA ASP 48 HA ASP 48 -4.342 -0.691 5.670 364 1HB ASP 48 2HB ASP 48 -2.298 0.208 4.062 365 2HB ASP 48 1HB ASP 48 -2.556 -1.426 3.462 366 HA PRO 49 HA PRO 49 -3.679 -5.069 6.592 367 1HB PRO 49 2HB PRO 49 -6.270 -5.668 7.017 368 2HB PRO 49 1HB PRO 49 -5.291 -4.825 8.222 369 1HG PRO 49 2HG PRO 49 -7.249 -3.698 6.254 370 2HG PRO 49 1HG PRO 49 -7.050 -3.318 7.976 371 1HD PRO 49 2HD PRO 49 -6.029 -1.763 5.998 372 2HD PRO 49 1HD PRO 49 -5.262 -1.923 7.591 373 H ARG 50 H ARG 50 -3.189 -4.774 4.102 374 HA ARG 50 HA ARG 50 -4.994 -6.607 2.729 375 1HB ARG 50 2HB ARG 50 -4.149 -3.959 1.544 376 2HB ARG 50 1HB ARG 50 -5.036 -5.219 0.699 377 1HG ARG 50 2HG ARG 50 -6.803 -3.957 1.295 378 2HG ARG 50 1HG ARG 50 -6.664 -4.878 2.794 379 1HD ARG 50 2HD ARG 50 -5.938 -3.097 3.974 380 2HD ARG 50 1HD ARG 50 -4.991 -2.461 2.628 381 HE ARG 50 HE ARG 50 -7.680 -1.761 3.334 382 1HH1 ARG 50 1HH1 ARG 50 -5.393 -1.960 0.706 383 2HH1 ARG 50 2HH1 ARG 50 -6.188 -0.750 -0.244 384 1HH2 ARG 50 1HH2 ARG 50 -8.731 -0.171 2.083 385 2HH2 ARG 50 2HH2 ARG 50 -8.083 0.264 0.538 386 H LEU 51 H LEU 51 -1.925 -4.852 2.730 387 HA LEU 51 HA LEU 51 -0.786 -6.901 0.967 388 1HB LEU 51 2HB LEU 51 0.784 -4.509 1.790 389 2HB LEU 51 1HB LEU 51 0.807 -5.398 0.278 390 HG LEU 51 HG LEU 51 -0.102 -3.335 -0.294 391 1HD1 LEU 51 1HD1 LEU 51 -2.076 -3.918 -1.256 392 2HD1 LEU 51 2HD1 LEU 51 -2.712 -4.645 0.219 393 3HD1 LEU 51 3HD1 LEU 51 -1.529 -5.519 -0.757 394 1HD2 LEU 51 1HD2 LEU 51 -0.673 -3.029 2.340 395 2HD2 LEU 51 2HD2 LEU 51 -2.288 -3.209 1.656 396 3HD2 LEU 51 3HD2 LEU 51 -1.216 -1.941 1.064 397 H VAL 52 H VAL 52 1.884 -6.734 1.670 398 HA VAL 52 HA VAL 52 1.902 -7.639 4.475 399 HB VAL 52 HB VAL 52 3.561 -8.881 2.308 400 1HG1 VAL 52 1HG1 VAL 52 2.928 -9.680 5.135 401 2HG1 VAL 52 2HG1 VAL 52 4.496 -9.226 4.464 402 3HG1 VAL 52 3HG1 VAL 52 3.729 -10.734 3.970 403 1HG2 VAL 52 1HG2 VAL 52 1.788 -10.818 2.870 404 2HG2 VAL 52 2HG2 VAL 52 1.593 -9.682 1.536 405 3HG2 VAL 52 3HG2 VAL 52 0.759 -9.399 3.064 406 H VAL 53 H VAL 53 3.026 -6.121 5.512 407 HA VAL 53 HA VAL 53 5.500 -5.096 4.302 408 HB VAL 53 HB VAL 53 4.175 -3.268 4.918 409 1HG1 VAL 53 1HG1 VAL 53 3.297 -3.066 7.320 410 2HG1 VAL 53 2HG1 VAL 53 3.573 -4.805 7.419 411 3HG1 VAL 53 3HG1 VAL 53 2.454 -4.156 6.220 412 1HG2 VAL 53 1HG2 VAL 53 6.474 -2.984 5.636 413 2HG2 VAL 53 2HG2 VAL 53 6.098 -3.717 7.195 414 3HG2 VAL 53 3HG2 VAL 53 5.381 -2.168 6.754 415 H GLN 54 H GLN 54 7.230 -6.192 4.858 416 HA GLN 54 HA GLN 54 7.516 -7.082 7.652 417 1HB GLN 54 2HB GLN 54 7.237 -8.765 5.489 418 2HB GLN 54 1HB GLN 54 8.981 -8.696 5.700 419 1HG GLN 54 2HG GLN 54 8.591 -10.389 7.121 420 2HG GLN 54 1HG GLN 54 8.238 -9.079 8.246 421 1HE2 GLN 54 1HE2 GLN 54 5.839 -8.262 7.841 422 2HE2 GLN 54 2HE2 GLN 54 4.662 -9.525 7.901 423 H ILE 55 H ILE 55 9.536 -6.933 8.584 424 HA ILE 55 HA ILE 55 11.457 -5.276 7.108 425 HB ILE 55 HB ILE 55 12.233 -4.372 9.113 426 1HG1 ILE 55 2HG1 ILE 55 12.544 -6.478 10.350 427 2HG1 ILE 55 1HG1 ILE 55 11.761 -5.255 11.342 428 1HG2 ILE 55 1HG2 ILE 55 10.311 -3.213 9.010 429 2HG2 ILE 55 2HG2 ILE 55 9.929 -4.100 10.483 430 3HG2 ILE 55 3HG2 ILE 55 9.311 -4.661 8.931 431 1HD1 ILE 55 1HD1 ILE 55 10.619 -7.233 11.803 432 2HD1 ILE 55 2HD1 ILE 55 10.561 -7.701 10.104 433 3HD1 ILE 55 3HD1 ILE 55 9.570 -6.363 10.684 434 H THR 56 H THR 56 13.385 -6.034 6.549 435 HA THR 56 HA THR 56 14.305 -8.542 7.790 436 HB THR 56 HB THR 56 15.347 -9.095 5.595 437 HG1 THR 56 1HG THR 56 15.502 -7.227 4.515 438 1HG2 THR 56 1HG2 THR 56 12.815 -9.599 6.317 439 2HG2 THR 56 2HG2 THR 56 13.532 -10.151 4.803 440 3HG2 THR 56 3HG2 THR 56 12.537 -8.695 4.829 441 H GLU 57 H GLU 57 15.881 -7.913 9.129 442 HA GLU 57 HA GLU 57 17.771 -5.854 8.285 443 1HB GLU 57 2HB GLU 57 17.072 -7.118 10.907 444 2HB GLU 57 1HB GLU 57 18.632 -6.328 10.718 445 1HG GLU 57 2HG GLU 57 17.111 -4.380 9.771 446 2HG GLU 57 1HG GLU 57 15.908 -5.167 10.792 447 H THR 58 H THR 58 18.735 -7.243 6.654 448 HA THR 58 HA THR 58 20.537 -9.276 7.792 449 HB THR 58 HB THR 58 20.226 -9.256 4.873 450 HG1 THR 58 1HG THR 58 18.009 -9.961 6.494 451 1HG2 THR 58 1HG2 THR 58 19.668 -11.686 5.354 452 2HG2 THR 58 2HG2 THR 58 20.093 -11.331 7.029 453 3HG2 THR 58 3HG2 THR 58 21.295 -11.135 5.753 454 H GLY 59 H GLY 59 22.493 -9.564 6.112 455 1HA GLY 59 2HA GLY 59 23.707 -7.793 4.586 456 2HA GLY 59 1HA GLY 59 23.815 -6.956 6.128 457 H SER 60 H SER 60 25.961 -7.046 6.525 458 HA SER 60 HA SER 60 27.422 -9.527 6.164 459 1HB SER 60 2HB SER 60 28.124 -6.690 6.692 460 2HB SER 60 1HB SER 60 29.238 -7.908 7.312 461 HG SER 60 HG SER 60 29.219 -8.791 5.131 462 H GLN 61 H GLN 61 28.633 -10.539 7.862 463 HA GLN 61 HA GLN 61 27.130 -10.856 10.254 464 1HB GLN 61 2HB GLN 61 29.885 -11.849 9.501 465 2HB GLN 61 1HB GLN 61 29.009 -12.345 10.944 466 1HG GLN 61 2HG GLN 61 28.247 -14.022 9.703 467 2HG GLN 61 1HG GLN 61 27.190 -12.825 8.958 468 1HE2 GLN 61 1HE2 GLN 61 27.231 -14.243 7.110 469 2HE2 GLN 61 2HE2 GLN 61 28.550 -14.159 5.997 470 H GLU 62 H GLU 62 27.128 -8.620 10.982 471 HA GLU 62 HA GLU 62 29.596 -7.453 11.902 472 1HB GLU 62 2HB GLU 62 27.614 -6.145 11.045 473 2HB GLU 62 1HB GLU 62 26.784 -6.559 12.539 474 1HG GLU 62 2HG GLU 62 29.390 -5.461 13.085 475 2HG GLU 62 1HG GLU 62 28.441 -4.373 12.072 476 H GLY 63 H GLY 63 30.226 -7.112 14.042 477 1HA GLY 63 2HA GLY 63 30.209 -7.398 16.351 478 2HA GLY 63 1HA GLY 63 28.656 -8.209 16.212 479 H GLY 64 H GLY 64 29.306 -9.859 17.632 480 1HA GLY 64 2HA GLY 64 30.819 -11.966 16.308 481 2HA GLY 64 1HA GLY 64 31.489 -11.376 17.821 482 H GLU 65 H GLU 65 29.739 -11.242 19.628 483 HA GLU 65 HA GLU 65 28.115 -13.699 19.520 484 1HB GLU 65 2HB GLU 65 29.847 -12.640 21.746 485 2HB GLU 65 1HB GLU 65 28.565 -13.807 22.037 486 1HG GLU 65 2HG GLU 65 30.719 -14.308 20.016 487 2HG GLU 65 1HG GLU 65 30.937 -14.687 21.725 488 H GLY 66 H GLY 66 26.016 -13.312 19.730 489 1HA GLY 66 2HA GLY 66 24.616 -12.135 21.672 490 2HA GLY 66 1HA GLY 66 25.119 -10.734 20.739 491 H LEU 67 H LEU 67 24.556 -10.767 18.399 492 HA LEU 67 HA LEU 67 21.789 -11.536 18.111 493 1HB LEU 67 2HB LEU 67 23.728 -10.039 16.363 494 2HB LEU 67 1HB LEU 67 22.123 -10.474 15.806 495 HG LEU 67 HG LEU 67 21.541 -9.246 18.171 496 1HD1 LEU 67 1HD1 LEU 67 22.872 -7.096 18.044 497 2HD1 LEU 67 2HD1 LEU 67 24.019 -7.980 17.038 498 3HD1 LEU 67 3HD1 LEU 67 23.714 -8.503 18.695 499 1HD2 LEU 67 1HD2 LEU 67 20.567 -8.921 15.874 500 2HD2 LEU 67 2HD2 LEU 67 21.872 -7.775 15.565 501 3HD2 LEU 67 3HD2 LEU 67 20.707 -7.459 16.850 502 H SER 68 H SER 68 21.106 -13.392 17.288 503 HA SER 68 HA SER 68 22.456 -14.637 15.065 504 1HB SER 68 2HB SER 68 23.555 -15.415 17.316 505 2HB SER 68 1HB SER 68 22.105 -16.410 17.458 506 HG SER 68 HG SER 68 22.671 -17.113 15.235 507 H LYS 69 H LYS 69 21.079 -15.804 13.833 508 HA LYS 69 HA LYS 69 19.125 -16.650 13.040 509 1HB LYS 69 2HB LYS 69 18.891 -17.350 15.957 510 2HB LYS 69 1HB LYS 69 17.625 -17.764 14.810 511 1HG LYS 69 2HG LYS 69 19.854 -18.702 13.546 512 2HG LYS 69 1HG LYS 69 20.243 -18.982 15.245 513 1HD LYS 69 2HD LYS 69 19.148 -20.939 14.490 514 2HD LYS 69 1HD LYS 69 17.961 -20.057 15.455 515 1HE LYS 69 2HE LYS 69 16.741 -19.408 13.593 516 2HE LYS 69 1HE LYS 69 18.102 -19.641 12.497 517 1HZ LYS 69 1HZ LYS 69 16.810 -21.902 13.902 518 2HZ LYS 69 2HZ LYS 69 17.831 -21.954 12.555 519 3HZ LYS 69 3HZ LYS 69 16.260 -21.345 12.402 520 H GLU 70 H GLU 70 17.995 -14.986 12.225 521 HA GLU 70 HA GLU 70 15.795 -13.957 13.770 522 1HB GLU 70 2HB GLU 70 17.625 -11.887 12.580 523 2HB GLU 70 1HB GLU 70 16.298 -11.658 13.703 524 1HG GLU 70 2HG GLU 70 17.588 -12.789 15.449 525 2HG GLU 70 1HG GLU 70 18.928 -12.983 14.321 526 HA PRO 71 HA PRO 71 15.419 -12.492 9.134 527 1HB PRO 71 2HB PRO 71 17.569 -14.075 7.855 528 2HB PRO 71 1HB PRO 71 17.085 -12.399 7.573 529 1HG PRO 71 2HG PRO 71 19.349 -12.973 8.862 530 2HG PRO 71 1HG PRO 71 18.338 -11.600 9.353 531 1HD PRO 71 2HD PRO 71 18.566 -14.322 10.583 532 2HD PRO 71 1HD PRO 71 18.474 -12.736 11.374 533 H ALA 72 H ALA 72 14.798 -13.776 7.083 534 HA ALA 72 HA ALA 72 13.600 -15.474 6.155 535 1HB ALA 72 1HB ALA 72 15.712 -16.859 7.687 536 2HB ALA 72 2HB ALA 72 15.289 -16.968 5.979 537 3HB ALA 72 3HB ALA 72 14.337 -17.838 7.181 538 H GLY 73 H GLY 73 12.626 -14.135 8.566 539 1HA GLY 73 2HA GLY 73 11.271 -16.183 10.108 540 2HA GLY 73 1HA GLY 73 11.133 -14.445 10.328 541 H SER 74 H SER 74 9.902 -17.240 8.669 542 HA SER 74 HA SER 74 7.324 -16.161 8.387 543 1HB SER 74 2HB SER 74 7.485 -16.317 5.733 544 2HB SER 74 1HB SER 74 7.828 -14.815 6.591 545 HG SER 74 HG SER 74 9.494 -16.411 5.137 546 H ASP 75 H ASP 75 9.666 -18.404 6.959 547 HA ASP 75 HA ASP 75 7.560 -20.460 6.891 548 1HB ASP 75 2HB ASP 75 8.742 -19.827 4.728 549 2HB ASP 75 1HB ASP 75 10.188 -20.565 5.410 550 H GLU 76 H GLU 76 10.777 -19.680 8.020 551 HA GLU 76 HA GLU 76 11.336 -22.305 9.035 552 1HB GLU 76 2HB GLU 76 12.676 -19.659 9.057 553 2HB GLU 76 1HB GLU 76 13.087 -20.756 10.368 554 1HG GLU 76 2HG GLU 76 13.439 -22.478 8.452 555 2HG GLU 76 1HG GLU 76 13.567 -21.040 7.440 556 H GLN 77 H GLN 77 10.633 -19.174 10.595 557 HA GLN 77 HA GLN 77 10.454 -20.154 13.210 558 1HB GLN 77 2HB GLN 77 9.727 -17.685 11.800 559 2HB GLN 77 1HB GLN 77 8.724 -18.023 13.204 560 1HG GLN 77 2HG GLN 77 11.723 -17.788 13.160 561 2HG GLN 77 1HG GLN 77 10.582 -16.620 13.823 562 1HE2 GLN 77 1HE2 GLN 77 12.795 -18.168 15.054 563 2HE2 GLN 77 2HE2 GLN 77 12.082 -18.980 16.402 564 H LYS 78 H LYS 78 7.871 -19.521 10.843 565 HA LYS 78 HA LYS 78 5.892 -20.757 12.554 566 1HB LYS 78 2HB LYS 78 5.878 -19.242 10.006 567 2HB LYS 78 1HB LYS 78 4.579 -20.405 10.227 568 1HG LYS 78 2HG LYS 78 3.598 -19.207 11.880 569 2HG LYS 78 1HG LYS 78 5.131 -18.575 12.483 570 1HD LYS 78 2HD LYS 78 4.136 -16.693 11.565 571 2HD LYS 78 1HD LYS 78 5.179 -17.252 10.255 572 1HE LYS 78 2HE LYS 78 2.906 -18.628 9.726 573 2HE LYS 78 1HE LYS 78 2.244 -17.155 10.435 574 1HZ LYS 78 1HZ LYS 78 2.446 -16.894 8.072 575 2HZ LYS 78 2HZ LYS 78 4.082 -17.321 8.109 576 3HZ LYS 78 3HZ LYS 78 3.569 -15.878 8.826 577 H GLN 79 H GLN 79 4.999 -22.748 12.326 578 HA GLN 79 HA GLN 79 5.893 -24.405 10.068 579 1HB GLN 79 2HB GLN 79 5.714 -25.421 12.905 580 2HB GLN 79 1HB GLN 79 6.356 -26.266 11.503 581 1HG GLN 79 2HG GLN 79 8.203 -24.681 11.381 582 2HG GLN 79 1HG GLN 79 7.554 -23.814 12.772 583 1HE2 GLN 79 1HE2 GLN 79 9.163 -24.138 14.202 584 2HE2 GLN 79 2HE2 GLN 79 9.657 -25.689 14.781 585 H LEU 80 H LEU 80 4.506 -26.185 9.556 586 HA LEU 80 HA LEU 80 1.718 -25.623 10.217 587 1HB LEU 80 2HB LEU 80 3.128 -27.028 8.005 588 2HB LEU 80 1HB LEU 80 1.495 -27.538 8.386 589 HG LEU 80 HG LEU 80 1.845 -24.628 8.083 590 1HD1 LEU 80 1HD1 LEU 80 1.578 -25.202 5.484 591 2HD1 LEU 80 2HD1 LEU 80 2.633 -26.531 5.967 592 3HD1 LEU 80 3HD1 LEU 80 3.134 -24.862 6.242 593 1HD2 LEU 80 1HD2 LEU 80 -0.118 -26.588 6.900 594 2HD2 LEU 80 2HD2 LEU 80 -0.267 -24.831 6.929 595 3HD2 LEU 80 3HD2 LEU 80 -0.327 -25.746 8.435 596 H ARG 81 H ARG 81 3.882 -28.448 10.007 597 HA ARG 81 HA ARG 81 3.885 -30.447 11.088 598 1HB ARG 81 2HB ARG 81 3.624 -28.541 13.020 599 2HB ARG 81 1HB ARG 81 2.222 -29.550 13.347 600 1HG ARG 81 2HG ARG 81 3.705 -31.517 13.469 601 2HG ARG 81 1HG ARG 81 5.092 -30.453 13.233 602 1HD ARG 81 2HD ARG 81 3.538 -29.361 15.329 603 2HD ARG 81 1HD ARG 81 3.702 -31.088 15.645 604 HE ARG 81 HE ARG 81 5.946 -30.782 16.030 605 1HH1 ARG 81 1HH1 ARG 81 4.623 -27.894 14.581 606 2HH1 ARG 81 2HH1 ARG 81 6.051 -26.953 14.854 607 1HH2 ARG 81 1HH2 ARG 81 7.823 -29.543 16.392 608 2HH2 ARG 81 2HH2 ARG 81 7.865 -27.888 15.883 609 H ALA 82 H ALA 82 2.033 -30.377 9.153 610 HA ALA 82 HA ALA 82 0.018 -32.187 10.169 611 1HB ALA 82 1HB ALA 82 -0.624 -29.436 9.270 612 2HB ALA 82 2HB ALA 82 -1.410 -30.447 10.483 613 3HB ALA 82 3HB ALA 82 -1.708 -30.734 8.769 614 H ASP 83 H ASP 83 0.395 -30.198 7.231 615 HA ASP 83 HA ASP 83 -0.206 -32.379 5.511 616 1HB ASP 83 2HB ASP 83 0.608 -29.543 5.162 617 2HB ASP 83 1HB ASP 83 0.893 -30.630 3.806 618 HA PRO 84 HA PRO 84 4.573 -32.011 4.227 619 1HB PRO 84 2HB PRO 84 5.871 -31.235 6.660 620 2HB PRO 84 1HB PRO 84 5.885 -30.406 5.105 621 1HG PRO 84 2HG PRO 84 4.266 -29.862 7.502 622 2HG PRO 84 1HG PRO 84 4.693 -28.787 6.163 623 1HD PRO 84 2HD PRO 84 2.196 -29.768 6.514 624 2HD PRO 84 1HD PRO 84 2.870 -29.419 4.909 625 HA PRO 85 HA PRO 85 5.656 -35.004 7.828 626 1HB PRO 85 2HB PRO 85 4.217 -34.913 10.115 627 2HB PRO 85 1HB PRO 85 5.630 -33.886 9.845 628 1HG PRO 85 2HG PRO 85 2.724 -33.220 9.554 629 2HG PRO 85 1HG PRO 85 4.018 -32.270 10.308 630 1HD PRO 85 2HD PRO 85 3.123 -31.777 7.801 631 2HD PRO 85 1HD PRO 85 4.808 -31.505 8.285 632 H SER 86 H SER 86 4.259 -36.730 9.313 633 HA SER 86 HA SER 86 2.124 -37.622 7.498 634 1HB SER 86 2HB SER 86 3.345 -39.460 9.511 635 2HB SER 86 1HB SER 86 2.741 -39.810 7.891 636 HG SER 86 HG SER 86 5.195 -39.614 8.479 637 H THR 87 H THR 87 0.307 -38.799 8.491 638 HA THR 87 HA THR 87 -0.243 -38.041 11.268 639 HB THR 87 HB THR 87 -2.700 -37.667 10.165 640 HG1 THR 87 1HG THR 87 -2.028 -37.761 8.052 641 1HG2 THR 87 1HG2 THR 87 -1.739 -36.101 11.705 642 2HG2 THR 87 2HG2 THR 87 -2.275 -35.242 10.261 643 3HG2 THR 87 3HG2 THR 87 -0.561 -35.581 10.501 644 H ASP 88 H ASP 88 -1.020 -39.691 12.400 645 HA ASP 88 HA ASP 88 -1.884 -41.721 12.945 646 1HB ASP 88 2HB ASP 88 -3.524 -41.068 10.504 647 2HB ASP 88 1HB ASP 88 -3.769 -42.554 11.419 648 H LEU 89 H LEU 89 -2.347 -44.016 11.946 649 HA LEU 89 HA LEU 89 -1.566 -45.869 10.888 650 1HB LEU 89 2HB LEU 89 -1.895 -44.545 8.818 651 2HB LEU 89 1HB LEU 89 -0.248 -43.961 8.959 652 HG LEU 89 HG LEU 89 0.616 -46.214 8.655 653 1HD1 LEU 89 1HD1 LEU 89 -2.272 -47.039 8.400 654 2HD1 LEU 89 2HD1 LEU 89 -1.192 -47.445 9.734 655 3HD1 LEU 89 3HD1 LEU 89 -0.870 -48.072 8.117 656 1HD2 LEU 89 1HD2 LEU 89 -0.646 -46.602 6.331 657 2HD2 LEU 89 2HD2 LEU 89 0.544 -45.324 6.574 658 3HD2 LEU 89 3HD2 LEU 89 -1.178 -44.956 6.671 659 H ASN 90 H ASN 90 1.008 -43.384 10.756 660 HA ASN 90 HA ASN 90 3.201 -45.015 10.978 661 1HB ASN 90 2HB ASN 90 3.080 -42.456 10.733 662 2HB ASN 90 1HB ASN 90 3.033 -42.418 12.493 663 1HD2 ASN 90 1HD2 ASN 90 5.033 -41.139 11.969 664 2HD2 ASN 90 2HD2 ASN 90 6.521 -42.015 11.897 665 H THR 91 H THR 91 1.324 -43.625 13.672 666 HA THR 91 HA THR 91 2.838 -44.763 15.737 667 HB THR 91 HB THR 91 0.375 -44.544 16.863 668 HG1 THR 91 1HG THR 91 -0.915 -43.597 15.534 669 1HG2 THR 91 1HG2 THR 91 2.528 -43.284 17.377 670 2HG2 THR 91 2HG2 THR 91 0.999 -42.456 17.678 671 3HG2 THR 91 3HG2 THR 91 1.942 -42.072 16.237 672 H PHE 92 H PHE 92 0.726 -46.349 13.551 673 HA PHE 92 HA PHE 92 -0.096 -48.418 15.371 674 1HB PHE 92 2HB PHE 92 -0.331 -48.080 12.382 675 2HB PHE 92 1HB PHE 92 -0.798 -49.570 13.188 676 HD1 PHE 92 2HD PHE 92 -1.266 -46.112 14.455 677 HD2 PHE 92 1HD PHE 92 -3.103 -49.587 12.827 678 HE1 PHE 92 2HE PHE 92 -3.480 -45.162 14.938 679 HE2 PHE 92 1HE PHE 92 -5.321 -48.643 13.308 680 HZ PHE 92 HZ PHE 92 -5.513 -46.428 14.365 681 H THR 93 H THR 93 0.767 -50.429 15.635 682 HA THR 93 HA THR 93 3.205 -51.039 14.113 683 HB THR 93 HB THR 93 4.214 -50.487 16.096 684 HG1 THR 93 1HG THR 93 3.443 -53.103 16.825 685 1HG2 THR 93 1HG2 THR 93 2.907 -51.575 18.268 686 2HG2 THR 93 2HG2 THR 93 1.609 -50.913 17.276 687 3HG2 THR 93 3HG2 THR 93 2.936 -49.877 17.797 688 H VAL 94 H VAL 94 1.269 -52.704 16.597 689 HA VAL 94 HA VAL 94 0.458 -54.713 14.678 690 HB VAL 94 HB VAL 94 2.096 -55.536 17.077 691 1HG1 VAL 94 1HG1 VAL 94 0.771 -57.083 14.864 692 2HG1 VAL 94 2HG1 VAL 94 0.513 -57.228 16.603 693 3HG1 VAL 94 3HG1 VAL 94 2.034 -57.763 15.889 694 1HG2 VAL 94 1HG2 VAL 94 3.574 -54.535 15.482 695 2HG2 VAL 94 2HG2 VAL 94 2.818 -55.414 14.153 696 3HG2 VAL 94 3HG2 VAL 94 3.754 -56.285 15.368 697 H GLU 95 H GLU 95 0.595 -53.771 18.087 698 HA GLU 95 HA GLU 95 -1.804 -55.223 18.741 699 1HB GLU 95 2HB GLU 95 -1.515 -54.107 20.976 700 2HB GLU 95 1HB GLU 95 -0.159 -55.098 20.454 701 1HG GLU 95 2HG GLU 95 0.227 -52.414 19.552 702 2HG GLU 95 1HG GLU 95 -0.135 -52.411 21.277 703 H GLN 96 H GLN 96 -1.051 -52.070 17.602 704 HA GLN 96 HA GLN 96 -3.369 -50.767 18.659 705 1HB GLN 96 2HB GLN 96 -1.021 -50.022 17.158 706 2HB GLN 96 1HB GLN 96 -2.457 -49.336 16.410 707 1HG GLN 96 2HG GLN 96 -2.189 -47.678 17.870 708 2HG GLN 96 1HG GLN 96 -2.898 -48.792 19.040 709 1HE2 GLN 96 1HE2 GLN 96 -0.308 -46.825 18.380 710 2HE2 GLN 96 2HE2 GLN 96 0.815 -47.453 19.533 711 H LEU 97 H LEU 97 -2.462 -52.103 15.525 712 HA LEU 97 HA LEU 97 -4.773 -51.389 14.115 713 1HB LEU 97 2HB LEU 97 -4.108 -53.830 13.033 714 2HB LEU 97 1HB LEU 97 -3.476 -52.285 12.526 715 HG LEU 97 HG LEU 97 -1.847 -53.144 14.682 716 1HD1 LEU 97 1HD1 LEU 97 -2.047 -55.272 12.595 717 2HD1 LEU 97 2HD1 LEU 97 -2.851 -55.386 14.161 718 3HD1 LEU 97 3HD1 LEU 97 -1.097 -55.278 14.076 719 1HD2 LEU 97 1HD2 LEU 97 -0.978 -53.507 11.888 720 2HD2 LEU 97 2HD2 LEU 97 -0.164 -52.707 13.234 721 3HD2 LEU 97 3HD2 LEU 97 -1.478 -51.892 12.386 722 H LYS 98 H LYS 98 -3.959 -54.520 15.534 723 HA LYS 98 HA LYS 98 -6.487 -55.697 15.216 724 1HB LYS 98 2HB LYS 98 -4.269 -56.806 15.879 725 2HB LYS 98 1HB LYS 98 -4.663 -56.334 17.526 726 1HG LYS 98 2HG LYS 98 -6.030 -58.061 17.764 727 2HG LYS 98 1HG LYS 98 -6.914 -57.631 16.297 728 1HD LYS 98 2HD LYS 98 -4.355 -59.229 16.426 729 2HD LYS 98 1HD LYS 98 -5.969 -59.880 16.136 730 1HE LYS 98 2HE LYS 98 -5.986 -59.220 13.983 731 2HE LYS 98 1HE LYS 98 -5.171 -57.696 14.336 732 1HZ LYS 98 1HZ LYS 98 -3.126 -58.618 14.054 733 2HZ LYS 98 2HZ LYS 98 -3.996 -59.605 12.991 734 3HZ LYS 98 3HZ LYS 98 -3.611 -60.164 14.540 735 H ALA 99 H ALA 99 -5.283 -53.525 17.683 736 HA ALA 99 HA ALA 99 -7.572 -53.948 19.390 737 1HB ALA 99 1HB ALA 99 -5.479 -53.515 20.478 738 2HB ALA 99 2HB ALA 99 -6.564 -52.159 20.785 739 3HB ALA 99 3HB ALA 99 -5.283 -52.008 19.582 740 H GLN 100 H GLN 100 -6.707 -51.921 16.821 741 HA GLN 100 HA GLN 100 -8.606 -49.842 17.460 742 1HB GLN 100 2HB GLN 100 -6.577 -50.287 15.330 743 2HB GLN 100 1HB GLN 100 -7.920 -49.213 14.964 744 1HG GLN 100 2HG GLN 100 -6.528 -48.766 17.529 745 2HG GLN 100 1HG GLN 100 -5.636 -48.380 16.058 746 1HE2 GLN 100 1HE2 GLN 100 -9.105 -48.119 16.630 747 2HE2 GLN 100 2HE2 GLN 100 -9.194 -46.407 16.424 748 H LEU 101 H LEU 101 -8.388 -52.576 15.231 749 HA LEU 101 HA LEU 101 -10.690 -51.940 13.721 750 1HB LEU 101 2HB LEU 101 -9.197 -54.491 14.258 751 2HB LEU 101 1HB LEU 101 -10.726 -54.539 13.408 752 HG LEU 101 HG LEU 101 -8.082 -53.485 12.501 753 1HD1 LEU 101 1HD1 LEU 101 -8.517 -54.775 10.574 754 2HD1 LEU 101 2HD1 LEU 101 -10.218 -54.965 10.997 755 3HD1 LEU 101 3HD1 LEU 101 -8.975 -55.766 11.957 756 1HD2 LEU 101 1HD2 LEU 101 -9.654 -51.584 12.240 757 2HD2 LEU 101 2HD2 LEU 101 -10.701 -52.623 11.278 758 3HD2 LEU 101 3HD2 LEU 101 -9.083 -52.228 10.702 759 H THR 102 H THR 102 -10.158 -53.942 16.572 760 HA THR 102 HA THR 102 -12.809 -54.834 16.877 761 HB THR 102 HB THR 102 -11.907 -54.890 19.413 762 HG1 THR 102 1HG THR 102 -9.872 -54.458 19.534 763 1HG2 THR 102 1HG2 THR 102 -12.439 -56.903 18.349 764 2HG2 THR 102 2HG2 THR 102 -10.744 -57.044 18.818 765 3HG2 THR 102 3HG2 THR 102 -11.171 -56.693 17.141 766 H GLU 103 H GLU 103 -11.098 -52.008 18.118 767 HA GLU 103 HA GLU 103 -13.338 -51.149 19.666 768 1HB GLU 103 2HB GLU 103 -10.741 -50.609 19.896 769 2HB GLU 103 1HB GLU 103 -11.198 -49.225 18.912 770 1HG GLU 103 2HG GLU 103 -12.322 -48.230 20.586 771 2HG GLU 103 1HG GLU 103 -12.921 -49.756 21.237 772 H ARG 104 H ARG 104 -12.742 -51.143 16.433 773 HA ARG 104 HA ARG 104 -14.246 -48.676 15.929 774 1HB ARG 104 2HB ARG 104 -12.036 -49.192 14.744 775 2HB ARG 104 1HB ARG 104 -12.932 -50.408 13.844 776 1HG ARG 104 2HG ARG 104 -14.063 -48.872 12.618 777 2HG ARG 104 1HG ARG 104 -14.058 -47.672 13.913 778 1HD ARG 104 2HD ARG 104 -11.417 -48.355 12.805 779 2HD ARG 104 1HD ARG 104 -12.512 -47.532 11.695 780 HE ARG 104 HE ARG 104 -12.673 -46.025 13.927 781 1HH1 ARG 104 1HH1 ARG 104 -9.975 -47.203 12.053 782 2HH1 ARG 104 2HH1 ARG 104 -8.959 -45.855 12.438 783 1HH2 ARG 104 1HH2 ARG 104 -11.338 -44.251 14.435 784 2HH2 ARG 104 2HH2 ARG 104 -9.731 -44.180 13.789 785 H GLY 105 H GLY 105 -14.619 -52.057 16.067 786 1HA GLY 105 2HA GLY 105 -16.551 -53.304 15.813 787 2HA GLY 105 1HA GLY 105 -17.370 -51.854 15.253 788 H ILE 106 H ILE 106 -14.736 -53.990 14.140 789 HA ILE 106 HA ILE 106 -16.163 -54.460 11.657 790 HB ILE 106 HB ILE 106 -14.943 -52.413 11.149 791 1HG1 ILE 106 2HG1 ILE 106 -13.342 -54.518 9.758 792 2HG1 ILE 106 1HG1 ILE 106 -15.092 -54.526 9.562 793 1HG2 ILE 106 1HG2 ILE 106 -13.104 -53.115 12.894 794 2HG2 ILE 106 2HG2 ILE 106 -12.730 -52.041 11.546 795 3HG2 ILE 106 3HG2 ILE 106 -12.312 -53.751 11.453 796 1HD1 ILE 106 1HD1 ILE 106 -13.545 -53.239 7.892 797 2HD1 ILE 106 2HD1 ILE 106 -13.619 -51.982 9.128 798 3HD1 ILE 106 3HD1 ILE 106 -15.102 -52.573 8.381 799 H THR 107 H THR 107 -16.199 -56.647 12.165 800 HA THR 107 HA THR 107 -14.225 -58.235 13.210 801 HB THR 107 HB THR 107 -15.672 -59.499 10.982 802 HG1 THR 107 1HG THR 107 -17.698 -59.205 11.911 803 1HG2 THR 107 1HG2 THR 107 -16.617 -60.742 13.098 804 2HG2 THR 107 2HG2 THR 107 -15.198 -60.026 13.860 805 3HG2 THR 107 3HG2 THR 107 -15.009 -61.086 12.464 806 H PHE 108 H PHE 108 -12.444 -59.331 12.462 807 HA PHE 108 HA PHE 108 -11.629 -58.758 9.694 808 1HB PHE 108 2HB PHE 108 -9.225 -59.069 10.835 809 2HB PHE 108 1HB PHE 108 -10.020 -57.508 10.710 810 HD1 PHE 108 2HD PHE 108 -11.764 -57.157 12.810 811 HD2 PHE 108 1HD PHE 108 -8.189 -59.464 12.828 812 HE1 PHE 108 2HE PHE 108 -11.607 -56.886 15.246 813 HE2 PHE 108 1HE PHE 108 -8.025 -59.197 15.266 814 HZ PHE 108 HZ PHE 108 -9.734 -57.906 16.480 815 H LYS 109 H LYS 109 -9.950 -60.757 12.075 816 HA LYS 109 HA LYS 109 -9.260 -62.925 11.985 817 1HB LYS 109 2HB LYS 109 -11.982 -63.455 10.794 818 2HB LYS 109 1HB LYS 109 -10.985 -64.570 11.718 819 1HG LYS 109 2HG LYS 109 -11.548 -63.639 13.717 820 2HG LYS 109 1HG LYS 109 -11.800 -62.034 13.026 821 1HD LYS 109 2HD LYS 109 -13.969 -62.628 13.448 822 2HD LYS 109 1HD LYS 109 -13.798 -63.253 11.807 823 1HE LYS 109 2HE LYS 109 -14.873 -64.888 13.267 824 2HE LYS 109 1HE LYS 109 -13.312 -65.473 12.694 825 1HZ LYS 109 1HZ LYS 109 -12.424 -65.394 14.756 826 2HZ LYS 109 2HZ LYS 109 -14.036 -65.585 15.228 827 3HZ LYS 109 3HZ LYS 109 -13.329 -64.048 15.236 828 H GLN 110 H GLN 110 -7.649 -63.207 10.557 829 HA GLN 110 HA GLN 110 -6.552 -63.845 8.671 830 1HB GLN 110 2HB GLN 110 -9.235 -65.054 8.335 831 2HB GLN 110 1HB GLN 110 -8.252 -64.932 6.883 832 1HG GLN 110 2HG GLN 110 -6.887 -66.571 7.527 833 2HG GLN 110 1HG GLN 110 -6.800 -65.978 9.184 834 1HE2 GLN 110 1HE2 GLN 110 -6.831 -68.577 8.998 835 2HE2 GLN 110 2HE2 GLN 110 -8.372 -69.252 9.387 836 H SER 111 H SER 111 -6.732 -63.635 6.120 837 HA SER 111 HA SER 111 -6.680 -62.181 4.374 838 1HB SER 111 2HB SER 111 -9.235 -60.980 5.427 839 2HB SER 111 1HB SER 111 -8.720 -61.172 3.751 840 HG SER 111 HG SER 111 -9.722 -63.097 5.540 841 H ALA 112 H ALA 112 -5.619 -61.374 7.061 842 HA ALA 112 HA ALA 112 -4.453 -58.977 6.485 843 1HB ALA 112 1HB ALA 112 -5.793 -57.433 8.035 844 2HB ALA 112 2HB ALA 112 -7.109 -58.590 7.833 845 3HB ALA 112 3HB ALA 112 -6.449 -57.751 6.430 846 H THR 113 H THR 113 -3.022 -60.544 7.543 847 HA THR 113 HA THR 113 -3.318 -61.127 10.308 848 HB THR 113 HB THR 113 -0.700 -61.593 9.889 849 HG1 THR 113 1HG THR 113 -0.418 -62.186 7.735 850 1HG2 THR 113 1HG2 THR 113 -1.218 -63.813 9.547 851 2HG2 THR 113 2HG2 THR 113 -2.660 -63.436 8.601 852 3HG2 THR 113 3HG2 THR 113 -2.661 -63.190 10.348 853 H LYS 114 H LYS 114 -0.427 -59.522 9.001 854 HA LYS 114 HA LYS 114 -0.800 -57.438 11.024 855 1HB LYS 114 2HB LYS 114 1.784 -57.567 11.284 856 2HB LYS 114 1HB LYS 114 0.765 -58.705 12.151 857 1HG LYS 114 2HG LYS 114 1.795 -60.411 11.194 858 2HG LYS 114 1HG LYS 114 1.398 -59.795 9.590 859 1HD LYS 114 2HD LYS 114 3.399 -58.587 9.435 860 2HD LYS 114 1HD LYS 114 3.692 -58.681 11.173 861 1HE LYS 114 2HE LYS 114 4.122 -61.060 11.000 862 2HE LYS 114 1HE LYS 114 3.736 -61.029 9.280 863 1HZ LYS 114 1HZ LYS 114 5.713 -60.093 8.758 864 2HZ LYS 114 2HZ LYS 114 6.203 -60.866 10.181 865 3HZ LYS 114 3HZ LYS 114 5.828 -59.217 10.202 866 H ALA 115 H ALA 115 1.367 -58.303 8.329 867 HA ALA 115 HA ALA 115 2.100 -55.655 7.754 868 1HB ALA 115 1HB ALA 115 2.900 -56.515 5.614 869 2HB ALA 115 2HB ALA 115 2.016 -58.018 5.878 870 3HB ALA 115 3HB ALA 115 3.360 -57.587 6.936 871 H GLU 116 H GLU 116 -0.622 -57.601 6.765 872 HA GLU 116 HA GLU 116 -1.542 -55.607 4.857 873 1HB GLU 116 2HB GLU 116 -2.763 -58.206 5.804 874 2HB GLU 116 1HB GLU 116 -3.488 -57.161 4.591 875 1HG GLU 116 2HG GLU 116 -0.906 -57.554 3.680 876 2HG GLU 116 1HG GLU 116 -1.380 -59.122 4.332 877 H LEU 117 H LEU 117 -2.199 -56.720 8.075 878 HA LEU 117 HA LEU 117 -4.606 -55.194 8.428 879 1HB LEU 117 2HB LEU 117 -4.522 -57.143 9.684 880 2HB LEU 117 1HB LEU 117 -2.848 -56.918 10.123 881 HG LEU 117 HG LEU 117 -3.715 -54.956 11.560 882 1HD1 LEU 117 1HD1 LEU 117 -6.081 -55.693 12.406 883 2HD1 LEU 117 2HD1 LEU 117 -6.232 -56.344 10.775 884 3HD1 LEU 117 3HD1 LEU 117 -5.924 -54.623 11.012 885 1HD2 LEU 117 1HD2 LEU 117 -2.773 -57.047 12.393 886 2HD2 LEU 117 2HD2 LEU 117 -4.359 -57.808 12.264 887 3HD2 LEU 117 3HD2 LEU 117 -4.105 -56.480 13.396 888 H ILE 118 H ILE 118 -1.226 -54.563 8.727 889 HA ILE 118 HA ILE 118 -1.633 -52.318 10.507 890 HB ILE 118 HB ILE 118 0.493 -53.450 10.716 891 1HG1 ILE 118 2HG1 ILE 118 2.005 -51.597 10.627 892 2HG1 ILE 118 1HG1 ILE 118 1.085 -50.830 9.339 893 1HG2 ILE 118 1HG2 ILE 118 0.570 -54.215 8.290 894 2HG2 ILE 118 2HG2 ILE 118 2.093 -53.756 9.036 895 3HG2 ILE 118 3HG2 ILE 118 1.284 -52.642 7.938 896 1HD1 ILE 118 1HD1 ILE 118 -0.813 -50.680 11.039 897 2HD1 ILE 118 2HD1 ILE 118 0.571 -49.609 11.247 898 3HD1 ILE 118 3HD1 ILE 118 0.418 -51.053 12.245 899 H ALA 119 H ALA 119 -1.405 -52.977 7.097 900 HA ALA 119 HA ALA 119 -1.196 -50.178 6.358 901 1HB ALA 119 1HB ALA 119 -1.848 -52.177 4.292 902 2HB ALA 119 2HB ALA 119 -0.317 -52.412 5.133 903 3HB ALA 119 3HB ALA 119 -0.635 -50.896 4.292 904 H LEU 120 H LEU 120 -3.598 -52.691 6.646 905 HA LEU 120 HA LEU 120 -5.671 -51.768 5.106 906 1HB LEU 120 2HB LEU 120 -5.485 -53.822 6.704 907 2HB LEU 120 1HB LEU 120 -6.217 -52.749 7.881 908 HG LEU 120 HG LEU 120 -7.984 -52.392 5.934 909 1HD1 LEU 120 1HD1 LEU 120 -6.802 -55.106 5.378 910 2HD1 LEU 120 2HD1 LEU 120 -6.919 -53.740 4.269 911 3HD1 LEU 120 3HD1 LEU 120 -8.381 -54.573 4.799 912 1HD2 LEU 120 1HD2 LEU 120 -7.778 -54.561 7.984 913 2HD2 LEU 120 2HD2 LEU 120 -9.180 -54.469 6.918 914 3HD2 LEU 120 3HD2 LEU 120 -8.789 -53.116 7.980 915 H PHE 121 H PHE 121 -4.811 -50.728 8.401 916 HA PHE 121 HA PHE 121 -6.973 -48.948 8.727 917 1HB PHE 121 2HB PHE 121 -4.255 -49.148 9.987 918 2HB PHE 121 1HB PHE 121 -5.329 -47.807 10.376 919 HD1 PHE 121 1HD PHE 121 -7.475 -48.223 11.501 920 HD2 PHE 121 2HD PHE 121 -4.673 -51.343 10.782 921 HE1 PHE 121 1HE PHE 121 -8.632 -49.633 13.138 922 HE2 PHE 121 2HE PHE 121 -5.830 -52.760 12.419 923 HZ PHE 121 HZ PHE 121 -7.811 -51.900 13.591 924 H ALA 122 H ALA 122 -7.122 -47.909 6.665 925 HA ALA 122 HA ALA 122 -5.180 -45.716 6.327 926 1HB ALA 122 1HB ALA 122 -5.433 -45.830 3.970 927 2HB ALA 122 2HB ALA 122 -6.781 -46.961 4.103 928 3HB ALA 122 3HB ALA 122 -5.150 -47.478 4.532 929 HA PRO 123 HA PRO 123 -8.924 -43.413 7.540 930 1HB PRO 123 2HB PRO 123 -7.007 -41.236 6.829 931 2HB PRO 123 1HB PRO 123 -8.068 -41.386 8.234 932 1HG PRO 123 2HG PRO 123 -5.461 -41.861 8.455 933 2HG PRO 123 1HG PRO 123 -6.643 -42.862 9.319 934 1HD PRO 123 2HD PRO 123 -5.047 -43.491 6.881 935 2HD PRO 123 1HD PRO 123 -5.573 -44.561 8.196 936 H ALA 124 H ALA 124 -6.973 -43.155 4.647 937 HA ALA 124 HA ALA 124 -8.473 -41.345 3.158 938 1HB ALA 124 1HB ALA 124 -7.531 -42.517 1.167 939 2HB ALA 124 2HB ALA 124 -6.874 -43.736 2.259 940 3HB ALA 124 3HB ALA 124 -6.329 -42.062 2.375 941 H ASP 125 H ASP 125 -10.024 -41.680 1.470 942 HA ASP 125 HA ASP 125 -11.928 -43.791 2.143 943 1HB ASP 125 2HB ASP 125 -12.102 -41.122 0.852 944 2HB ASP 125 1HB ASP 125 -13.249 -42.343 0.308 945 H GLY 126 H GLY 126 -12.898 -45.115 0.532 946 1HA GLY 126 2HA GLY 126 -11.367 -45.310 -1.983 947 2HA GLY 126 1HA GLY 126 -11.675 -46.738 -1.006 948 H GLU 127 H GLU 127 -13.608 -47.773 -1.167 949 HA GLU 127 HA GLU 127 -15.769 -46.500 -2.667 950 1HB GLU 127 2HB GLU 127 -14.019 -48.422 -3.798 951 2HB GLU 127 1HB GLU 127 -15.565 -49.221 -3.546 952 1HG GLU 127 2HG GLU 127 -16.700 -47.577 -4.861 953 2HG GLU 127 1HG GLU 127 -15.239 -46.599 -4.982 954 H LYS 128 H LYS 128 -17.470 -48.626 -2.915 955 HA LYS 128 HA LYS 128 -19.049 -49.811 -1.787 956 1HB LYS 128 2HB LYS 128 -16.605 -50.394 -0.135 957 2HB LYS 128 1HB LYS 128 -18.179 -51.033 0.320 958 1HG LYS 128 2HG LYS 128 -17.494 -51.485 -2.482 959 2HG LYS 128 1HG LYS 128 -16.390 -52.252 -1.339 960 1HD LYS 128 2HD LYS 128 -17.932 -53.907 -1.406 961 2HD LYS 128 1HD LYS 128 -18.741 -52.897 -0.206 962 1HE LYS 128 2HE LYS 128 -20.411 -53.411 -1.765 963 2HE LYS 128 1HE LYS 128 -19.900 -51.777 -2.186 964 1HZ LYS 128 1HZ LYS 128 -20.167 -53.379 -4.086 965 2HZ LYS 128 2HZ LYS 128 -18.793 -54.183 -3.513 966 3HZ LYS 128 3HZ LYS 128 -18.681 -52.571 -4.017 967 H SER 129 H SER 129 -20.650 -48.684 -0.919 968 HA SER 129 HA SER 129 -20.408 -47.674 1.780 969 1HB SER 129 2HB SER 129 -19.613 -45.727 0.620 970 2HB SER 129 1HB SER 129 -20.918 -45.829 -0.561 971 HG SER 129 HG SER 129 -21.705 -44.384 0.814 972 H GLU 130 H GLU 130 -22.437 -47.735 -1.139 973 HA GLU 130 HA GLU 130 -24.779 -48.182 0.590 974 1HB GLU 130 2HB GLU 130 -24.414 -46.816 -2.036 975 2HB GLU 130 1HB GLU 130 -25.949 -47.616 -1.725 976 1HG GLU 130 2HG GLU 130 -25.939 -46.281 0.480 977 2HG GLU 130 1HG GLU 130 -24.718 -45.288 -0.314 978 H ALA 131 H ALA 131 -26.468 -49.619 -0.327 979 HA ALA 131 HA ALA 131 -27.143 -51.667 -1.054 980 1HB ALA 131 1HB ALA 131 -25.721 -52.437 -3.188 981 2HB ALA 131 2HB ALA 131 -25.320 -50.720 -3.177 982 3HB ALA 131 3HB ALA 131 -27.005 -51.232 -3.270 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 25.579 -6.428 21.550 2 2H GLY 1 2HT GLY 1 24.231 -6.555 22.566 3 3H GLY 1 3HT GLY 1 24.667 -5.052 21.923 4 1HA GLY 1 1HA GLY 1 24.349 -6.256 19.650 5 2HA GLY 1 2HA GLY 1 23.346 -7.327 20.617 6 H SER 2 H SER 2 22.240 -5.511 22.405 7 HA SER 2 HA SER 2 20.322 -4.202 20.662 8 1HB SER 2 2HB SER 2 19.982 -5.574 22.962 9 2HB SER 2 1HB SER 2 20.066 -3.935 23.605 10 HG SER 2 HG SER 2 18.019 -3.947 23.070 11 H HIS 3 H HIS 3 20.097 -2.056 20.379 12 HA HIS 3 HA HIS 3 21.857 -0.285 21.943 13 1HB HIS 3 2HB HIS 3 22.043 -0.782 19.230 14 2HB HIS 3 1HB HIS 3 21.124 0.718 19.294 15 HD1 HIS 3 1HD HIS 3 24.329 -0.660 20.824 16 HD2 HIS 3 2HD HIS 3 22.711 2.900 19.420 17 HE1 HIS 3 1HE HIS 3 26.180 1.033 20.996 18 HE2 HIS 3 2HE HIS 3 25.152 3.198 20.218 19 H MET 4 H MET 4 21.012 2.148 21.167 20 HA MET 4 HA MET 4 18.506 2.386 22.532 21 1HB MET 4 2HB MET 4 20.596 4.207 21.531 22 2HB MET 4 1HB MET 4 18.969 4.877 21.521 23 1HG MET 4 2HG MET 4 18.810 4.124 23.939 24 2HG MET 4 1HG MET 4 20.552 3.866 23.859 25 1HE MET 4 1HE MET 4 20.327 7.131 25.948 26 2HE MET 4 2HE MET 4 20.531 5.380 25.969 27 3HE MET 4 3HE MET 4 18.912 6.079 25.906 28 H ASP 5 H ASP 5 19.363 3.960 19.466 29 HA ASP 5 HA ASP 5 16.626 3.529 18.539 30 1HB ASP 5 2HB ASP 5 18.776 5.477 17.947 31 2HB ASP 5 1HB ASP 5 17.751 5.027 16.586 32 H LYS 6 H LYS 6 16.219 2.804 16.348 33 HA LYS 6 HA LYS 6 18.368 1.360 15.021 34 1HB LYS 6 2HB LYS 6 15.963 0.048 16.253 35 2HB LYS 6 1HB LYS 6 16.754 -0.662 14.853 36 1HG LYS 6 2HG LYS 6 18.908 -0.493 16.246 37 2HG LYS 6 1HG LYS 6 17.824 -0.272 17.621 38 1HD LYS 6 2HD LYS 6 17.124 -2.423 17.580 39 2HD LYS 6 1HD LYS 6 17.179 -2.518 15.818 40 1HE LYS 6 2HE LYS 6 19.775 -2.384 16.227 41 2HE LYS 6 1HE LYS 6 19.334 -2.993 17.821 42 1HZ LYS 6 1HZ LYS 6 19.594 -4.946 16.727 43 2HZ LYS 6 2HZ LYS 6 19.173 -4.308 15.219 44 3HZ LYS 6 3HZ LYS 6 17.967 -4.676 16.346 45 H THR 7 H THR 7 18.163 1.364 12.864 46 HA THR 7 HA THR 7 15.604 2.303 11.737 47 HB THR 7 HB THR 7 17.708 2.792 9.899 48 HG1 THR 7 1HG THR 7 19.277 2.926 11.355 49 1HG2 THR 7 1HG2 THR 7 16.627 4.972 11.588 50 2HG2 THR 7 2HG2 THR 7 15.517 4.071 10.555 51 3HG2 THR 7 3HG2 THR 7 16.899 4.911 9.847 52 H PHE 8 H PHE 8 14.768 1.242 9.976 53 HA PHE 8 HA PHE 8 16.338 -0.891 8.749 54 1HB PHE 8 2HB PHE 8 14.171 -2.347 8.987 55 2HB PHE 8 1HB PHE 8 15.349 -2.282 10.291 56 HD1 PHE 8 1HD PHE 8 13.024 0.500 9.593 57 HD2 PHE 8 2HD PHE 8 13.807 -2.945 11.976 58 HE1 PHE 8 1HE PHE 8 11.269 1.188 11.167 59 HE2 PHE 8 2HE PHE 8 12.046 -2.258 13.551 60 HZ PHE 8 HZ PHE 8 10.776 -0.189 13.147 61 H CYS 9 H CYS 9 15.722 -1.487 6.706 62 HA CYS 9 HA CYS 9 13.846 0.331 5.385 63 1HB CYS 9 2HB CYS 9 14.767 -0.692 3.285 64 2HB CYS 9 1HB CYS 9 15.979 0.115 4.273 65 HG CYS 9 HG CYS 9 15.717 -2.987 4.253 66 H VAL 10 H VAL 10 11.838 -0.342 4.873 67 HA VAL 10 HA VAL 10 11.243 -3.213 5.149 68 HB VAL 10 HB VAL 10 10.058 -1.040 6.388 69 1HG1 VAL 10 1HG1 VAL 10 8.873 -0.734 4.101 70 2HG1 VAL 10 2HG1 VAL 10 7.930 -0.655 5.584 71 3HG1 VAL 10 3HG1 VAL 10 7.919 -2.125 4.610 72 1HG2 VAL 10 1HG2 VAL 10 8.994 -2.628 7.590 73 2HG2 VAL 10 2HG2 VAL 10 10.124 -3.671 6.731 74 3HG2 VAL 10 3HG2 VAL 10 8.466 -3.511 6.158 75 H VAL 11 H VAL 11 9.744 -4.187 3.703 76 HA VAL 11 HA VAL 11 9.221 -2.700 1.247 77 HB VAL 11 HB VAL 11 11.233 -3.834 0.751 78 1HG1 VAL 11 1HG1 VAL 11 11.448 -5.447 2.405 79 2HG1 VAL 11 2HG1 VAL 11 11.301 -6.373 0.911 80 3HG1 VAL 11 3HG1 VAL 11 9.915 -6.214 1.991 81 1HG2 VAL 11 1HG2 VAL 11 10.515 -4.436 -1.273 82 2HG2 VAL 11 2HG2 VAL 11 8.868 -4.284 -0.662 83 3HG2 VAL 11 3HG2 VAL 11 9.683 -5.848 -0.620 84 H VAL 12 H VAL 12 7.225 -2.927 0.556 85 HA VAL 12 HA VAL 12 5.512 -4.960 1.779 86 HB VAL 12 HB VAL 12 3.669 -3.613 0.664 87 1HG1 VAL 12 1HG1 VAL 12 4.579 -3.401 3.066 88 2HG1 VAL 12 2HG1 VAL 12 3.555 -2.110 2.436 89 3HG1 VAL 12 3HG1 VAL 12 5.305 -1.901 2.493 90 1HG2 VAL 12 1HG2 VAL 12 5.382 -1.255 0.454 91 2HG2 VAL 12 2HG2 VAL 12 4.094 -1.821 -0.608 92 3HG2 VAL 12 3HG2 VAL 12 5.718 -2.492 -0.757 93 H GLN 13 H GLN 13 5.607 -6.840 0.692 94 HA GLN 13 HA GLN 13 5.541 -6.788 -2.240 95 1HB GLN 13 2HB GLN 13 7.200 -8.208 -0.818 96 2HB GLN 13 1HB GLN 13 5.828 -9.285 -0.601 97 1HG GLN 13 2HG GLN 13 5.663 -9.659 -2.955 98 2HG GLN 13 1HG GLN 13 6.877 -8.424 -3.285 99 1HE2 GLN 13 1HE2 GLN 13 8.435 -9.615 -4.218 100 2HE2 GLN 13 2HE2 GLN 13 9.251 -10.936 -3.459 101 H ASN 14 H ASN 14 3.525 -6.644 -2.985 102 HA ASN 14 HA ASN 14 1.523 -8.502 -1.888 103 1HB ASN 14 2HB ASN 14 0.755 -6.427 -1.114 104 2HB ASN 14 1HB ASN 14 1.253 -5.589 -2.577 105 1HD2 ASN 14 1HD2 ASN 14 -0.001 -5.794 -4.450 106 2HD2 ASN 14 2HD2 ASN 14 -1.664 -6.250 -4.368 107 H ARG 15 H ARG 15 0.390 -9.678 -3.317 108 HA ARG 15 HA ARG 15 0.877 -9.167 -6.181 109 1HB ARG 15 2HB ARG 15 1.045 -11.619 -4.565 110 2HB ARG 15 1HB ARG 15 0.166 -11.806 -6.076 111 1HG ARG 15 2HG ARG 15 2.462 -12.372 -6.437 112 2HG ARG 15 1HG ARG 15 2.113 -10.859 -7.275 113 1HD ARG 15 2HD ARG 15 3.667 -9.776 -6.107 114 2HD ARG 15 1HD ARG 15 2.998 -10.351 -4.581 115 HE ARG 15 HE ARG 15 5.262 -11.420 -5.996 116 1HH1 ARG 15 1HH1 ARG 15 2.754 -12.104 -3.667 117 2HH1 ARG 15 2HH1 ARG 15 3.634 -13.388 -2.909 118 1HH2 ARG 15 1HH2 ARG 15 6.422 -13.107 -5.001 119 2HH2 ARG 15 2HH2 ARG 15 5.717 -13.957 -3.666 120 H ILE 16 H ILE 16 -1.349 -8.427 -4.188 121 HA ILE 16 HA ILE 16 -3.699 -9.784 -4.846 122 HB ILE 16 HB ILE 16 -3.004 -7.208 -3.586 123 1HG1 ILE 16 2HG1 ILE 16 -5.238 -9.037 -2.802 124 2HG1 ILE 16 1HG1 ILE 16 -3.565 -9.527 -2.547 125 1HG2 ILE 16 1HG2 ILE 16 -5.566 -7.563 -5.053 126 2HG2 ILE 16 2HG2 ILE 16 -4.560 -6.127 -4.852 127 3HG2 ILE 16 3HG2 ILE 16 -5.556 -6.699 -3.515 128 1HD1 ILE 16 1HD1 ILE 16 -3.644 -6.973 -1.529 129 2HD1 ILE 16 2HD1 ILE 16 -3.707 -8.473 -0.603 130 3HD1 ILE 16 3HD1 ILE 16 -5.202 -7.657 -1.064 131 H LYS 17 H LYS 17 -2.908 -6.479 -5.964 132 HA LYS 17 HA LYS 17 -3.338 -7.103 -8.705 133 1HB LYS 17 2HB LYS 17 -5.407 -5.936 -9.096 134 2HB LYS 17 1HB LYS 17 -5.682 -7.162 -7.867 135 1HG LYS 17 2HG LYS 17 -5.759 -5.543 -6.145 136 2HG LYS 17 1HG LYS 17 -5.142 -4.282 -7.210 137 1HD LYS 17 2HD LYS 17 -7.156 -4.050 -8.313 138 2HD LYS 17 1HD LYS 17 -7.684 -5.684 -7.904 139 1HE LYS 17 2HE LYS 17 -7.268 -3.747 -5.688 140 2HE LYS 17 1HE LYS 17 -8.692 -3.546 -6.709 141 1HZ LYS 17 1HZ LYS 17 -9.642 -5.404 -5.903 142 2HZ LYS 17 2HZ LYS 17 -8.635 -5.120 -4.574 143 3HZ LYS 17 3HZ LYS 17 -8.179 -6.242 -5.755 144 H GLU 18 H GLU 18 -3.930 -4.724 -9.826 145 HA GLU 18 HA GLU 18 -1.699 -3.066 -8.931 146 1HB GLU 18 2HB GLU 18 -1.803 -2.019 -11.119 147 2HB GLU 18 1HB GLU 18 -1.753 -3.768 -11.288 148 1HG GLU 18 2HG GLU 18 -4.162 -3.801 -11.677 149 2HG GLU 18 1HG GLU 18 -4.213 -2.048 -11.504 150 H GLY 19 H GLY 19 -5.086 -3.136 -8.766 151 1HA GLY 19 2HA GLY 19 -5.230 -0.218 -8.395 152 2HA GLY 19 1HA GLY 19 -6.602 -1.266 -8.720 153 H TYR 20 H TYR 20 -3.974 -1.251 -6.310 154 HA TYR 20 HA TYR 20 -6.045 -1.476 -4.231 155 1HB TYR 20 2HB TYR 20 -4.648 -2.883 -2.940 156 2HB TYR 20 1HB TYR 20 -4.581 -3.510 -4.581 157 HD1 TYR 20 1HD TYR 20 -2.600 -0.960 -5.223 158 HD2 TYR 20 2HD TYR 20 -2.614 -4.278 -2.561 159 HE1 TYR 20 1HE TYR 20 -0.148 -0.900 -5.141 160 HE2 TYR 20 2HE TYR 20 -0.161 -4.217 -2.468 161 HH TYR 20 HH TYR 20 1.719 -2.568 -4.645 162 H ARG 21 H ARG 21 -4.379 0.827 -5.491 163 HA ARG 21 HA ARG 21 -3.591 2.839 -4.790 164 1HB ARG 21 2HB ARG 21 -4.785 1.981 -2.154 165 2HB ARG 21 1HB ARG 21 -4.310 3.622 -2.574 166 1HG ARG 21 2HG ARG 21 -6.549 1.988 -3.712 167 2HG ARG 21 1HG ARG 21 -6.644 3.506 -2.821 168 1HD ARG 21 2HD ARG 21 -5.279 4.497 -4.754 169 2HD ARG 21 1HD ARG 21 -5.710 3.030 -5.634 170 HE ARG 21 HE ARG 21 -8.043 4.165 -4.569 171 1HH1 ARG 21 1HH1 ARG 21 -5.629 4.824 -7.002 172 2HH1 ARG 21 2HH1 ARG 21 -6.710 5.727 -8.009 173 1HH2 ARG 21 1HH2 ARG 21 -9.467 5.352 -5.893 174 2HH2 ARG 21 2HH2 ARG 21 -8.890 6.026 -7.380 175 H ARG 22 H ARG 22 -2.386 3.869 -2.736 176 HA ARG 22 HA ARG 22 -0.613 2.264 -1.272 177 1HB ARG 22 2HB ARG 22 0.182 2.275 -3.849 178 2HB ARG 22 1HB ARG 22 0.989 3.733 -3.287 179 1HG ARG 22 2HG ARG 22 1.568 1.913 -1.312 180 2HG ARG 22 1HG ARG 22 1.611 0.937 -2.780 181 1HD ARG 22 2HD ARG 22 3.695 1.693 -3.043 182 2HD ARG 22 1HD ARG 22 2.956 3.221 -3.515 183 HE ARG 22 HE ARG 22 3.679 4.134 -1.548 184 1HH1 ARG 22 1HH1 ARG 22 3.849 0.658 -1.296 185 2HH1 ARG 22 2HH1 ARG 22 4.678 0.685 0.224 186 1HH2 ARG 22 1HH2 ARG 22 4.771 4.171 0.449 187 2HH2 ARG 22 2HH2 ARG 22 5.202 2.679 1.215 188 H ALA 23 H ALA 23 1.582 4.065 -1.124 189 HA ALA 23 HA ALA 23 0.754 5.902 0.744 190 1HB ALA 23 1HB ALA 23 3.120 5.972 -1.113 191 2HB ALA 23 2HB ALA 23 3.068 5.429 0.565 192 3HB ALA 23 3HB ALA 23 2.883 7.142 0.185 193 H GLY 24 H GLY 24 0.598 6.116 -2.712 194 1HA GLY 24 2HA GLY 24 -1.317 7.856 -3.161 195 2HA GLY 24 1HA GLY 24 -0.055 8.966 -2.643 196 H PHE 25 H PHE 25 0.406 6.029 -4.545 197 HA PHE 25 HA PHE 25 0.898 7.637 -6.940 198 1HB PHE 25 2HB PHE 25 2.901 5.554 -6.109 199 2HB PHE 25 1HB PHE 25 3.085 6.851 -7.285 200 HD1 PHE 25 2HD PHE 25 2.552 6.284 -3.640 201 HD2 PHE 25 1HD PHE 25 4.179 8.787 -6.678 202 HE1 PHE 25 2HE PHE 25 3.601 7.696 -1.916 203 HE2 PHE 25 1HE PHE 25 5.228 10.200 -4.958 204 HZ PHE 25 HZ PHE 25 4.938 9.655 -2.575 205 H SER 26 H SER 26 -1.134 5.618 -6.067 206 HA SER 26 HA SER 26 -2.134 3.681 -6.776 207 1HB SER 26 2HB SER 26 -1.902 3.680 -9.485 208 2HB SER 26 1HB SER 26 -3.025 4.703 -8.592 209 HG SER 26 HG SER 26 -0.565 5.363 -9.775 210 H PHE 27 H PHE 27 0.140 2.840 -5.758 211 HA PHE 27 HA PHE 27 2.024 1.626 -7.407 212 1HB PHE 27 2HB PHE 27 2.105 1.954 -4.880 213 2HB PHE 27 1HB PHE 27 1.138 0.492 -4.755 214 HD1 PHE 27 2HD PHE 27 3.801 1.033 -7.256 215 HD2 PHE 27 1HD PHE 27 2.719 -0.844 -3.584 216 HE1 PHE 27 2HE PHE 27 5.845 -0.328 -7.352 217 HE2 PHE 27 1HE PHE 27 4.763 -2.206 -3.685 218 HZ PHE 27 HZ PHE 27 6.328 -1.950 -5.565 219 H HIS 28 H HIS 28 2.330 -0.571 -8.023 220 HA HIS 28 HA HIS 28 -0.200 -1.938 -8.610 221 1HB HIS 28 2HB HIS 28 2.477 -1.838 -9.948 222 2HB HIS 28 1HB HIS 28 1.440 -3.234 -10.210 223 HD1 HIS 28 1HD HIS 28 1.097 -2.623 -12.694 224 HD2 HIS 28 2HD HIS 28 -0.205 0.292 -10.035 225 HE1 HIS 28 1HE HIS 28 -0.276 -1.027 -14.067 226 HE2 HIS 28 2HE HIS 28 -1.133 0.676 -12.418 227 H LEU 29 H LEU 29 0.099 -4.408 -8.834 228 HA LEU 29 HA LEU 29 0.668 -5.465 -6.289 229 1HB LEU 29 2HB LEU 29 0.298 -7.658 -7.332 230 2HB LEU 29 1HB LEU 29 -0.958 -6.505 -7.742 231 HG LEU 29 HG LEU 29 1.232 -6.611 -9.692 232 1HD1 LEU 29 1HD1 LEU 29 -0.217 -9.066 -8.885 233 2HD1 LEU 29 2HD1 LEU 29 1.399 -8.871 -9.565 234 3HD1 LEU 29 3HD1 LEU 29 -0.016 -8.767 -10.613 235 1HD2 LEU 29 1HD2 LEU 29 -1.760 -6.552 -9.700 236 2HD2 LEU 29 2HD2 LEU 29 -0.860 -6.907 -11.173 237 3HD2 LEU 29 3HD2 LEU 29 -0.620 -5.371 -10.342 238 H GLY 30 H GLY 30 2.885 -4.574 -6.087 239 1HA GLY 30 2HA GLY 30 4.825 -6.595 -6.952 240 2HA GLY 30 1HA GLY 30 5.153 -4.913 -7.341 241 H ASP 31 H ASP 31 6.962 -4.654 -6.095 242 HA ASP 31 HA ASP 31 6.495 -4.638 -3.204 243 1HB ASP 31 2HB ASP 31 8.908 -5.462 -2.952 244 2HB ASP 31 1HB ASP 31 7.695 -6.651 -3.414 245 H ASN 32 H ASN 32 7.202 -2.862 -2.194 246 HA ASN 32 HA ASN 32 9.055 -1.088 -3.655 247 1HB ASN 32 2HB ASN 32 6.537 -0.395 -3.378 248 2HB ASN 32 1HB ASN 32 7.024 -0.006 -1.730 249 1HD2 ASN 32 1HD2 ASN 32 6.108 1.752 -3.854 250 2HD2 ASN 32 2HD2 ASN 32 7.367 2.909 -4.099 251 H SER 33 H SER 33 10.808 -0.381 -2.527 252 HA SER 33 HA SER 33 11.184 -1.479 0.128 253 1HB SER 33 2HB SER 33 13.090 0.084 -1.621 254 2HB SER 33 1HB SER 33 13.501 -0.673 -0.081 255 HG SER 33 HG SER 33 13.761 -1.811 -2.323 256 H LEU 34 H LEU 34 11.617 -0.364 1.954 257 HA LEU 34 HA LEU 34 10.866 2.483 1.941 258 1HB LEU 34 2HB LEU 34 9.241 1.221 3.151 259 2HB LEU 34 1HB LEU 34 10.465 0.295 3.983 260 HG LEU 34 HG LEU 34 9.150 2.085 5.254 261 1HD1 LEU 34 1HD1 LEU 34 10.854 0.871 6.301 262 2HD1 LEU 34 2HD1 LEU 34 11.264 2.564 6.572 263 3HD1 LEU 34 3HD1 LEU 34 12.108 1.632 5.332 264 1HD2 LEU 34 1HD2 LEU 34 9.484 4.244 4.845 265 2HD2 LEU 34 2HD2 LEU 34 10.245 3.754 3.332 266 3HD2 LEU 34 3HD2 LEU 34 11.233 4.035 4.765 267 H ALA 35 H ALA 35 12.155 3.947 3.022 268 HA ALA 35 HA ALA 35 14.899 3.325 3.314 269 1HB ALA 35 1HB ALA 35 13.206 5.733 3.629 270 2HB ALA 35 2HB ALA 35 14.678 5.495 2.688 271 3HB ALA 35 3HB ALA 35 14.774 5.725 4.433 272 H ALA 36 H ALA 36 16.148 3.622 5.271 273 HA ALA 36 HA ALA 36 15.022 2.157 7.413 274 1HB ALA 36 1HB ALA 36 17.132 1.957 8.162 275 2HB ALA 36 2HB ALA 36 17.459 3.683 8.008 276 3HB ALA 36 3HB ALA 36 17.555 2.638 6.591 277 H VAL 37 H VAL 37 13.606 2.873 8.760 278 HA VAL 37 HA VAL 37 13.875 5.566 9.916 279 HB VAL 37 HB VAL 37 11.194 4.275 9.494 280 1HG1 VAL 37 1HG1 VAL 37 10.710 6.051 10.773 281 2HG1 VAL 37 2HG1 VAL 37 10.834 6.944 9.257 282 3HG1 VAL 37 3HG1 VAL 37 12.208 6.889 10.363 283 1HG2 VAL 37 1HG2 VAL 37 11.455 4.416 7.284 284 2HG2 VAL 37 2HG2 VAL 37 12.931 5.370 7.429 285 3HG2 VAL 37 3HG2 VAL 37 11.357 6.163 7.502 286 H SER 38 H SER 38 12.458 5.725 11.966 287 HA SER 38 HA SER 38 13.400 3.944 13.879 288 1HB SER 38 2HB SER 38 10.928 5.687 14.036 289 2HB SER 38 1HB SER 38 11.783 4.983 15.407 290 HG SER 38 HG SER 38 12.555 7.070 13.699 291 H GLU 39 H GLU 39 9.930 4.264 13.110 292 HA GLU 39 HA GLU 39 9.663 1.405 12.789 293 1HB GLU 39 2HB GLU 39 9.647 1.910 15.293 294 2HB GLU 39 1HB GLU 39 8.089 2.678 15.012 295 1HG GLU 39 2HG GLU 39 7.891 0.201 13.767 296 2HG GLU 39 1HG GLU 39 8.747 -0.115 15.275 297 H SER 40 H SER 40 8.458 4.592 12.441 298 HA SER 40 HA SER 40 5.788 4.357 11.972 299 1HB SER 40 2HB SER 40 6.136 6.147 10.187 300 2HB SER 40 1HB SER 40 6.763 6.509 11.795 301 HG SER 40 HG SER 40 8.229 5.606 9.542 302 H GLN 41 H GLN 41 8.379 3.445 9.727 303 HA GLN 41 HA GLN 41 6.817 2.934 7.475 304 1HB GLN 41 2HB GLN 41 8.654 1.204 6.959 305 2HB GLN 41 1HB GLN 41 9.058 2.907 7.029 306 1HG GLN 41 2HG GLN 41 10.733 1.474 8.107 307 2HG GLN 41 1HG GLN 41 10.026 2.648 9.213 308 1HE2 GLN 41 1HE2 GLN 41 9.905 -0.718 8.190 309 2HE2 GLN 41 2HE2 GLN 41 9.350 -1.346 9.697 310 H LEU 42 H LEU 42 7.257 1.042 10.354 311 HA LEU 42 HA LEU 42 6.212 -1.370 9.198 312 1HB LEU 42 2HB LEU 42 7.780 -1.460 11.066 313 2HB LEU 42 1HB LEU 42 6.645 -0.589 12.081 314 HG LEU 42 HG LEU 42 5.061 -2.612 11.536 315 1HD1 LEU 42 1HD1 LEU 42 7.694 -3.493 10.572 316 2HD1 LEU 42 2HD1 LEU 42 6.078 -4.056 10.146 317 3HD1 LEU 42 3HD1 LEU 42 6.852 -4.632 11.623 318 1HD2 LEU 42 1HD2 LEU 42 5.436 -3.252 13.660 319 2HD2 LEU 42 2HD2 LEU 42 6.505 -1.849 13.690 320 3HD2 LEU 42 3HD2 LEU 42 7.169 -3.457 13.404 321 H ALA 43 H ALA 43 4.990 1.028 11.508 322 HA ALA 43 HA ALA 43 2.385 -0.131 11.597 323 1HB ALA 43 1HB ALA 43 1.940 2.267 12.634 324 2HB ALA 43 2HB ALA 43 3.700 2.260 12.741 325 3HB ALA 43 3HB ALA 43 2.764 0.990 13.529 326 H GLN 44 H GLN 44 3.958 2.141 9.497 327 HA GLN 44 HA GLN 44 1.643 3.522 8.610 328 1HB GLN 44 2HB GLN 44 3.994 4.288 8.244 329 2HB GLN 44 1HB GLN 44 4.186 3.001 7.062 330 1HG GLN 44 2HG GLN 44 3.730 4.890 5.787 331 2HG GLN 44 1HG GLN 44 2.187 4.039 5.865 332 1HE2 GLN 44 1HE2 GLN 44 4.043 6.570 7.505 333 2HE2 GLN 44 2HE2 GLN 44 2.681 7.561 7.893 334 H LEU 45 H LEU 45 3.352 0.666 7.424 335 HA LEU 45 HA LEU 45 1.516 0.238 5.258 336 1HB LEU 45 2HB LEU 45 3.530 -1.688 6.388 337 2HB LEU 45 1HB LEU 45 2.801 -1.730 4.793 338 1HD1 LEU 45 1HD1 LEU 45 6.113 -1.137 5.798 339 2HD1 LEU 45 2HD1 LEU 45 6.189 -0.739 4.081 340 3HD1 LEU 45 3HD1 LEU 45 5.267 -2.141 4.624 341 1HD2 LEU 45 1HD2 LEU 45 2.873 0.361 3.583 342 2HD2 LEU 45 2HD2 LEU 45 4.402 -0.173 2.885 343 3HD2 LEU 45 3HD2 LEU 45 4.295 1.399 3.677 344 H LYS 46 H LYS 46 2.270 -1.532 8.246 345 HA LYS 46 HA LYS 46 0.449 -3.558 8.133 346 1HB LYS 46 2HB LYS 46 1.996 -2.319 10.166 347 2HB LYS 46 1HB LYS 46 0.376 -2.547 10.806 348 1HG LYS 46 2HG LYS 46 0.592 -4.776 10.909 349 2HG LYS 46 1HG LYS 46 1.466 -4.866 9.379 350 1HD LYS 46 2HD LYS 46 3.522 -4.370 10.401 351 2HD LYS 46 1HD LYS 46 2.744 -3.776 11.869 352 1HE LYS 46 2HE LYS 46 3.666 -5.920 12.359 353 2HE LYS 46 1HE LYS 46 1.915 -6.099 12.271 354 1HZ LYS 46 1HZ LYS 46 2.384 -6.740 9.837 355 2HZ LYS 46 2HZ LYS 46 2.678 -7.880 11.049 356 3HZ LYS 46 3HZ LYS 46 3.966 -7.020 10.370 357 H ALA 47 H ALA 47 -0.221 -0.186 8.696 358 HA ALA 47 HA ALA 47 -2.691 -0.227 9.901 359 1HB ALA 47 1HB ALA 47 -1.861 1.604 7.654 360 2HB ALA 47 2HB ALA 47 -1.438 1.818 9.353 361 3HB ALA 47 3HB ALA 47 -3.125 1.910 8.845 362 H ASP 48 H ASP 48 -1.860 -1.181 6.663 363 HA ASP 48 HA ASP 48 -4.706 -1.714 6.118 364 1HB ASP 48 2HB ASP 48 -3.105 -0.061 4.649 365 2HB ASP 48 1HB ASP 48 -2.900 -1.587 3.796 366 HA PRO 49 HA PRO 49 -2.890 -5.881 6.626 367 1HB PRO 49 2HB PRO 49 -5.799 -6.446 6.315 368 2HB PRO 49 1HB PRO 49 -4.648 -7.089 7.491 369 1HG PRO 49 2HG PRO 49 -6.408 -5.239 8.213 370 2HG PRO 49 1HG PRO 49 -4.741 -5.184 8.819 371 1HD PRO 49 2HD PRO 49 -6.041 -3.540 6.690 372 2HD PRO 49 1HD PRO 49 -4.840 -3.065 7.909 373 H ARG 50 H ARG 50 -4.921 -4.507 4.158 374 HA ARG 50 HA ARG 50 -5.312 -6.551 2.388 375 1HB ARG 50 2HB ARG 50 -6.113 -4.226 2.092 376 2HB ARG 50 1HB ARG 50 -4.484 -3.743 1.645 377 1HG ARG 50 2HG ARG 50 -4.554 -5.001 -0.353 378 2HG ARG 50 1HG ARG 50 -6.010 -5.859 0.157 379 1HD ARG 50 2HD ARG 50 -6.362 -2.972 0.130 380 2HD ARG 50 1HD ARG 50 -5.907 -3.612 -1.448 381 HE ARG 50 HE ARG 50 -7.975 -5.166 -0.291 382 1HH1 ARG 50 1HH1 ARG 50 -7.387 -2.111 -1.873 383 2HH1 ARG 50 2HH1 ARG 50 -8.994 -1.986 -2.506 384 1HH2 ARG 50 1HH2 ARG 50 -10.090 -5.004 -1.122 385 2HH2 ARG 50 2HH2 ARG 50 -10.529 -3.628 -2.079 386 H LEU 51 H LEU 51 -2.326 -4.713 2.875 387 HA LEU 51 HA LEU 51 -0.985 -6.509 0.968 388 1HB LEU 51 2HB LEU 51 0.512 -4.186 2.009 389 2HB LEU 51 1HB LEU 51 0.463 -4.864 0.392 390 HG LEU 51 HG LEU 51 -0.433 -2.707 0.184 391 1HD1 LEU 51 1HD1 LEU 51 -1.828 -4.732 -0.691 392 2HD1 LEU 51 2HD1 LEU 51 -2.472 -3.092 -0.778 393 3HD1 LEU 51 3HD1 LEU 51 -2.999 -4.177 0.503 394 1HD2 LEU 51 1HD2 LEU 51 -1.505 -1.561 1.775 395 2HD2 LEU 51 2HD2 LEU 51 -0.995 -2.867 2.845 396 3HD2 LEU 51 3HD2 LEU 51 -2.606 -2.891 2.130 397 H VAL 52 H VAL 52 1.644 -6.165 1.851 398 HA VAL 52 HA VAL 52 1.578 -7.278 4.577 399 HB VAL 52 HB VAL 52 3.029 -9.038 4.056 400 1HG1 VAL 52 1HG1 VAL 52 1.444 -8.932 1.515 401 2HG1 VAL 52 2HG1 VAL 52 0.662 -9.159 3.080 402 3HG1 VAL 52 3HG1 VAL 52 1.852 -10.330 2.510 403 1HG2 VAL 52 1HG2 VAL 52 4.781 -8.267 2.805 404 2HG2 VAL 52 2HG2 VAL 52 3.740 -7.396 1.679 405 3HG2 VAL 52 3HG2 VAL 52 3.900 -9.148 1.558 406 H VAL 53 H VAL 53 3.221 -6.692 5.934 407 HA VAL 53 HA VAL 53 5.371 -5.022 4.812 408 HB VAL 53 HB VAL 53 3.834 -3.450 5.706 409 1HG1 VAL 53 1HG1 VAL 53 2.366 -4.195 7.213 410 2HG1 VAL 53 2HG1 VAL 53 3.597 -3.814 8.416 411 3HG1 VAL 53 3HG1 VAL 53 3.460 -5.455 7.782 412 1HG2 VAL 53 1HG2 VAL 53 5.968 -3.778 7.801 413 2HG2 VAL 53 2HG2 VAL 53 5.175 -2.284 7.296 414 3HG2 VAL 53 3HG2 VAL 53 6.260 -3.125 6.189 415 H GLN 54 H GLN 54 7.245 -5.914 5.259 416 HA GLN 54 HA GLN 54 7.599 -7.248 7.864 417 1HB GLN 54 2HB GLN 54 8.012 -8.299 5.152 418 2HB GLN 54 1HB GLN 54 9.363 -8.573 6.244 419 1HG GLN 54 2HG GLN 54 7.204 -9.273 7.780 420 2HG GLN 54 1HG GLN 54 6.731 -9.813 6.169 421 1HE2 GLN 54 1HE2 GLN 54 8.022 -11.351 5.099 422 2HE2 GLN 54 2HE2 GLN 54 9.096 -12.384 5.972 423 H ILE 55 H ILE 55 9.359 -6.711 8.997 424 HA ILE 55 HA ILE 55 11.180 -4.720 7.864 425 HB ILE 55 HB ILE 55 12.017 -4.572 10.247 426 1HG1 ILE 55 2HG1 ILE 55 9.549 -5.695 11.335 427 2HG1 ILE 55 1HG1 ILE 55 10.561 -6.912 10.564 428 1HG2 ILE 55 1HG2 ILE 55 9.357 -3.781 9.240 429 2HG2 ILE 55 2HG2 ILE 55 10.695 -2.791 9.825 430 3HG2 ILE 55 3HG2 ILE 55 9.629 -3.600 10.974 431 1HD1 ILE 55 1HD1 ILE 55 11.882 -5.027 12.419 432 2HD1 ILE 55 2HD1 ILE 55 12.194 -6.736 12.119 433 3HD1 ILE 55 3HD1 ILE 55 10.818 -6.251 13.111 434 H THR 56 H THR 56 13.239 -5.147 7.348 435 HA THR 56 HA THR 56 14.385 -7.718 8.215 436 HB THR 56 HB THR 56 15.585 -7.809 6.064 437 HG1 THR 56 1HG THR 56 14.032 -5.525 5.425 438 1HG2 THR 56 1HG2 THR 56 13.562 -9.031 6.046 439 2HG2 THR 56 2HG2 THR 56 13.627 -8.121 4.537 440 3HG2 THR 56 3HG2 THR 56 12.600 -7.565 5.859 441 H GLU 57 H GLU 57 15.785 -7.166 9.772 442 HA GLU 57 HA GLU 57 18.064 -5.545 9.060 443 1HB GLU 57 2HB GLU 57 15.946 -4.268 10.323 444 2HB GLU 57 1HB GLU 57 17.062 -4.622 11.635 445 1HG GLU 57 2HG GLU 57 17.811 -3.196 9.094 446 2HG GLU 57 1HG GLU 57 17.393 -2.399 10.609 447 H THR 58 H THR 58 16.622 -6.476 12.181 448 HA THR 58 HA THR 58 17.424 -7.713 13.913 449 HB THR 58 HB THR 58 18.235 -9.878 13.414 450 HG1 THR 58 1HG THR 58 19.290 -10.380 11.522 451 1HG2 THR 58 1HG2 THR 58 16.636 -10.710 12.065 452 2HG2 THR 58 2HG2 THR 58 16.924 -9.518 10.797 453 3HG2 THR 58 3HG2 THR 58 15.990 -9.078 12.228 454 H GLY 59 H GLY 59 19.509 -8.607 14.946 455 1HA GLY 59 2HA GLY 59 22.065 -7.944 14.206 456 2HA GLY 59 1HA GLY 59 21.426 -6.476 14.929 457 H SER 60 H SER 60 21.070 -9.923 15.753 458 HA SER 60 HA SER 60 22.025 -9.258 18.461 459 1HB SER 60 2HB SER 60 20.681 -11.332 19.131 460 2HB SER 60 1HB SER 60 19.754 -9.905 18.669 461 HG SER 60 HG SER 60 19.187 -10.852 16.806 462 H GLN 61 H GLN 61 21.721 -12.088 16.304 463 HA GLN 61 HA GLN 61 23.790 -13.553 17.542 464 1HB GLN 61 2HB GLN 61 21.915 -13.983 15.487 465 2HB GLN 61 1HB GLN 61 23.492 -14.254 14.758 466 1HG GLN 61 2HG GLN 61 23.370 -16.308 15.580 467 2HG GLN 61 1HG GLN 61 23.673 -15.585 17.159 468 1HE2 GLN 61 1HE2 GLN 61 22.376 -17.893 17.166 469 2HE2 GLN 61 2HE2 GLN 61 20.697 -17.681 17.510 470 H GLU 62 H GLU 62 25.808 -14.252 16.405 471 HA GLU 62 HA GLU 62 26.988 -12.078 14.813 472 1HB GLU 62 2HB GLU 62 27.621 -12.577 17.467 473 2HB GLU 62 1HB GLU 62 28.902 -13.392 16.581 474 1HG GLU 62 2HG GLU 62 29.353 -11.297 15.365 475 2HG GLU 62 1HG GLU 62 28.119 -10.496 16.337 476 H GLY 63 H GLY 63 26.802 -13.290 12.926 477 1HA GLY 63 2HA GLY 63 28.510 -14.512 11.570 478 2HA GLY 63 1HA GLY 63 28.472 -15.728 12.839 479 H GLY 64 H GLY 64 25.992 -16.345 13.319 480 1HA GLY 64 2HA GLY 64 24.917 -17.140 10.687 481 2HA GLY 64 1HA GLY 64 24.742 -18.079 12.162 482 H GLU 65 H GLU 65 22.545 -17.533 10.633 483 HA GLU 65 HA GLU 65 21.179 -15.289 11.926 484 1HB GLU 65 2HB GLU 65 21.111 -15.669 9.407 485 2HB GLU 65 1HB GLU 65 20.085 -17.057 9.742 486 1HG GLU 65 2HG GLU 65 19.021 -14.846 11.152 487 2HG GLU 65 1HG GLU 65 19.366 -14.321 9.504 488 H GLY 66 H GLY 66 19.521 -15.535 13.334 489 1HA GLY 66 2HA GLY 66 19.123 -18.177 14.453 490 2HA GLY 66 1HA GLY 66 18.470 -16.669 15.076 491 H LEU 67 H LEU 67 17.750 -19.528 13.495 492 HA LEU 67 HA LEU 67 15.512 -18.593 11.954 493 1HB LEU 67 2HB LEU 67 16.762 -21.209 12.566 494 2HB LEU 67 1HB LEU 67 15.059 -21.235 12.151 495 HG LEU 67 HG LEU 67 15.675 -19.944 10.055 496 1HD1 LEU 67 1HD1 LEU 67 17.767 -19.064 10.317 497 2HD1 LEU 67 2HD1 LEU 67 18.163 -20.546 9.448 498 3HD1 LEU 67 3HD1 LEU 67 18.370 -20.468 11.198 499 1HD2 LEU 67 1HD2 LEU 67 16.879 -22.138 9.134 500 2HD2 LEU 67 2HD2 LEU 67 15.159 -22.086 9.517 501 3HD2 LEU 67 3HD2 LEU 67 16.299 -22.771 10.674 502 H SER 68 H SER 68 15.555 -20.992 14.589 503 HA SER 68 HA SER 68 13.036 -19.813 15.565 504 1HB SER 68 2HB SER 68 12.325 -21.994 16.264 505 2HB SER 68 1HB SER 68 12.889 -22.142 14.600 506 HG SER 68 HG SER 68 14.078 -23.045 16.975 507 H LYS 69 H LYS 69 12.656 -20.537 17.957 508 HA LYS 69 HA LYS 69 15.128 -19.936 19.439 509 1HB LYS 69 2HB LYS 69 12.572 -18.694 19.480 510 2HB LYS 69 1HB LYS 69 12.799 -19.481 21.035 511 1HG LYS 69 2HG LYS 69 15.107 -18.322 21.021 512 2HG LYS 69 1HG LYS 69 14.395 -17.291 19.778 513 1HD LYS 69 2HD LYS 69 12.440 -17.297 21.679 514 2HD LYS 69 1HD LYS 69 13.900 -17.383 22.667 515 1HE LYS 69 2HE LYS 69 14.682 -15.342 21.924 516 2HE LYS 69 1HE LYS 69 13.743 -15.409 20.434 517 1HZ LYS 69 1HZ LYS 69 11.932 -14.549 21.431 518 2HZ LYS 69 2HZ LYS 69 13.066 -13.911 22.510 519 3HZ LYS 69 3HZ LYS 69 12.220 -15.319 22.909 520 H GLU 70 H GLU 70 11.967 -21.497 19.988 521 HA GLU 70 HA GLU 70 11.378 -23.407 21.071 522 1HB GLU 70 2HB GLU 70 13.163 -24.288 19.435 523 2HB GLU 70 1HB GLU 70 14.227 -24.346 20.834 524 1HG GLU 70 2HG GLU 70 12.271 -25.703 21.902 525 2HG GLU 70 1HG GLU 70 11.806 -25.970 20.223 526 HA PRO 71 HA PRO 71 12.999 -21.654 25.034 527 1HB PRO 71 2HB PRO 71 10.256 -22.412 25.851 528 2HB PRO 71 1HB PRO 71 11.119 -20.888 26.083 529 1HG PRO 71 2HG PRO 71 9.144 -21.093 24.298 530 2HG PRO 71 1HG PRO 71 10.584 -20.110 23.969 531 1HD PRO 71 2HD PRO 71 9.883 -22.840 22.961 532 2HD PRO 71 1HD PRO 71 10.637 -21.481 22.102 533 H ALA 72 H ALA 72 11.650 -24.676 24.065 534 HA ALA 72 HA ALA 72 12.118 -26.803 24.756 535 1HB ALA 72 1HB ALA 72 14.014 -27.211 25.906 536 2HB ALA 72 2HB ALA 72 13.614 -26.061 27.182 537 3HB ALA 72 3HB ALA 72 14.293 -25.486 25.660 538 H GLY 73 H GLY 73 9.965 -27.162 25.273 539 1HA GLY 73 2HA GLY 73 9.432 -27.273 28.157 540 2HA GLY 73 1HA GLY 73 8.275 -26.448 27.123 541 H SER 74 H SER 74 6.597 -27.866 27.572 542 HA SER 74 HA SER 74 6.332 -30.085 25.883 543 1HB SER 74 2HB SER 74 7.543 -30.643 28.488 544 2HB SER 74 1HB SER 74 6.092 -31.599 28.187 545 HG SER 74 HG SER 74 8.176 -31.359 26.289 546 H ASP 75 H ASP 75 4.232 -30.868 25.838 547 HA ASP 75 HA ASP 75 1.974 -30.795 26.103 548 1HB ASP 75 2HB ASP 75 2.886 -30.413 28.950 549 2HB ASP 75 1HB ASP 75 1.179 -30.483 28.525 550 H GLU 76 H GLU 76 0.165 -29.309 27.284 551 HA GLU 76 HA GLU 76 -0.813 -27.257 27.476 552 1HB GLU 76 2HB GLU 76 1.826 -26.756 28.259 553 2HB GLU 76 1HB GLU 76 1.466 -25.515 27.066 554 1HG GLU 76 2HG GLU 76 -0.405 -26.087 29.333 555 2HG GLU 76 1HG GLU 76 0.982 -25.016 29.527 556 H GLN 77 H GLN 77 1.935 -26.878 25.230 557 HA GLN 77 HA GLN 77 2.045 -25.855 23.183 558 1HB GLN 77 2HB GLN 77 0.822 -27.063 21.473 559 2HB GLN 77 1HB GLN 77 1.438 -28.182 22.678 560 1HG GLN 77 2HG GLN 77 -1.284 -27.233 23.192 561 2HG GLN 77 1HG GLN 77 -1.096 -28.159 21.708 562 1HE2 GLN 77 1HE2 GLN 77 -0.514 -30.317 21.815 563 2HE2 GLN 77 2HE2 GLN 77 -0.583 -31.223 23.285 564 H LYS 78 H LYS 78 1.164 -23.863 24.357 565 HA LYS 78 HA LYS 78 -0.051 -21.946 24.245 566 1HB LYS 78 2HB LYS 78 -0.755 -23.199 21.603 567 2HB LYS 78 1HB LYS 78 -1.456 -21.666 22.099 568 1HG LYS 78 2HG LYS 78 0.502 -20.534 21.869 569 2HG LYS 78 1HG LYS 78 1.492 -21.946 22.246 570 1HD LYS 78 2HD LYS 78 1.902 -21.939 20.030 571 2HD LYS 78 1HD LYS 78 0.335 -22.746 19.934 572 1HE LYS 78 2HE LYS 78 0.085 -21.053 18.390 573 2HE LYS 78 1HE LYS 78 -0.603 -20.321 19.839 574 1HZ LYS 78 1HZ LYS 78 1.943 -19.743 18.495 575 2HZ LYS 78 2HZ LYS 78 1.825 -19.486 20.162 576 3HZ LYS 78 3HZ LYS 78 0.783 -18.673 19.106 577 H GLN 79 H GLN 79 -2.493 -21.184 23.728 578 HA GLN 79 HA GLN 79 -4.659 -21.241 24.416 579 1HB GLN 79 2HB GLN 79 -4.323 -24.237 24.176 580 2HB GLN 79 1HB GLN 79 -5.856 -23.389 24.331 581 1HG GLN 79 2HG GLN 79 -4.998 -22.127 22.193 582 2HG GLN 79 1HG GLN 79 -4.016 -23.579 22.007 583 1HE2 GLN 79 1HE2 GLN 79 -4.970 -25.477 21.424 584 2HE2 GLN 79 2HE2 GLN 79 -6.631 -25.612 20.970 585 H LEU 80 H LEU 80 -4.525 -20.427 26.450 586 HA LEU 80 HA LEU 80 -3.881 -22.242 28.655 587 1HB LEU 80 2HB LEU 80 -4.103 -19.246 28.458 588 2HB LEU 80 1HB LEU 80 -3.988 -20.072 30.001 589 HG LEU 80 HG LEU 80 -1.860 -21.112 28.564 590 1HD1 LEU 80 1HD1 LEU 80 -1.633 -19.672 26.833 591 2HD1 LEU 80 2HD1 LEU 80 -0.786 -18.723 28.055 592 3HD1 LEU 80 3HD1 LEU 80 -2.468 -18.361 27.666 593 1HD2 LEU 80 1HD2 LEU 80 -0.604 -19.311 30.022 594 2HD2 LEU 80 2HD2 LEU 80 -1.432 -20.678 30.767 595 3HD2 LEU 80 3HD2 LEU 80 -2.209 -19.095 30.722 596 H ARG 81 H ARG 81 -6.253 -19.630 28.110 597 HA ARG 81 HA ARG 81 -8.394 -21.366 29.033 598 1HB ARG 81 2HB ARG 81 -7.390 -20.244 31.064 599 2HB ARG 81 1HB ARG 81 -7.922 -18.711 30.390 600 1HG ARG 81 2HG ARG 81 -10.215 -19.358 30.545 601 2HG ARG 81 1HG ARG 81 -9.771 -21.006 30.994 602 1HD ARG 81 2HD ARG 81 -8.609 -18.968 32.733 603 2HD ARG 81 1HD ARG 81 -10.372 -18.975 32.739 604 HE ARG 81 HE ARG 81 -9.558 -21.609 33.010 605 1HH1 ARG 81 1HH1 ARG 81 -9.264 -18.627 34.799 606 2HH1 ARG 81 2HH1 ARG 81 -9.187 -19.413 36.340 607 1HH2 ARG 81 1HH2 ARG 81 -9.457 -22.644 35.037 608 2HH2 ARG 81 2HH2 ARG 81 -9.295 -21.694 36.476 609 H ALA 82 H ALA 82 -9.589 -21.192 27.220 610 HA ALA 82 HA ALA 82 -10.968 -20.301 25.644 611 1HB ALA 82 1HB ALA 82 -11.867 -19.215 27.792 612 2HB ALA 82 2HB ALA 82 -12.326 -18.501 26.246 613 3HB ALA 82 3HB ALA 82 -11.062 -17.753 27.222 614 H ASP 83 H ASP 83 -9.040 -20.308 24.262 615 HA ASP 83 HA ASP 83 -8.471 -17.604 23.304 616 1HB ASP 83 2HB ASP 83 -6.563 -19.335 24.619 617 2HB ASP 83 1HB ASP 83 -6.056 -18.993 22.967 618 HA PRO 84 HA PRO 84 -9.604 -20.095 19.682 619 1HB PRO 84 2HB PRO 84 -10.011 -17.971 18.034 620 2HB PRO 84 1HB PRO 84 -11.218 -18.540 19.193 621 1HG PRO 84 2HG PRO 84 -9.285 -16.266 19.433 622 2HG PRO 84 1HG PRO 84 -10.999 -16.330 19.883 623 1HD PRO 84 2HD PRO 84 -9.018 -16.578 21.702 624 2HD PRO 84 1HD PRO 84 -10.567 -17.430 21.866 625 HA PRO 85 HA PRO 85 -5.312 -19.786 18.208 626 1HB PRO 85 2HB PRO 85 -5.351 -22.140 16.840 627 2HB PRO 85 1HB PRO 85 -5.078 -22.038 18.583 628 1HG PRO 85 2HG PRO 85 -7.592 -22.684 17.093 629 2HG PRO 85 1HG PRO 85 -6.921 -23.454 18.544 630 1HD PRO 85 2HD PRO 85 -8.930 -21.654 18.666 631 2HD PRO 85 1HD PRO 85 -7.702 -21.790 19.941 632 H SER 86 H SER 86 -4.988 -18.397 16.594 633 HA SER 86 HA SER 86 -6.717 -18.203 14.331 634 1HB SER 86 2HB SER 86 -4.157 -16.855 15.148 635 2HB SER 86 1HB SER 86 -4.821 -16.611 13.533 636 HG SER 86 HG SER 86 -6.384 -15.439 14.345 637 H THR 87 H THR 87 -3.674 -19.777 14.991 638 HA THR 87 HA THR 87 -3.321 -20.457 12.169 639 HB THR 87 HB THR 87 -1.179 -21.526 13.046 640 HG1 THR 87 1HG THR 87 -1.743 -19.989 15.351 641 1HG2 THR 87 1HG2 THR 87 -1.779 -18.653 12.939 642 2HG2 THR 87 2HG2 THR 87 -0.536 -19.591 12.112 643 3HG2 THR 87 3HG2 THR 87 -0.300 -19.100 13.790 644 H ASP 88 H ASP 88 -3.040 -22.646 11.491 645 HA ASP 88 HA ASP 88 -3.425 -24.886 13.135 646 1HB ASP 88 2HB ASP 88 -5.781 -23.567 12.922 647 2HB ASP 88 1HB ASP 88 -5.890 -24.623 11.519 648 H LEU 89 H LEU 89 -3.974 -23.488 9.938 649 HA LEU 89 HA LEU 89 -3.548 -26.007 8.595 650 1HB LEU 89 2HB LEU 89 -4.216 -23.229 7.793 651 2HB LEU 89 1HB LEU 89 -3.413 -24.229 6.597 652 HG LEU 89 HG LEU 89 -5.856 -24.273 6.351 653 1HD1 LEU 89 1HD1 LEU 89 -5.367 -27.013 7.280 654 2HD1 LEU 89 2HD1 LEU 89 -4.145 -26.369 6.183 655 3HD1 LEU 89 3HD1 LEU 89 -5.837 -26.417 5.688 656 1HD2 LEU 89 1HD2 LEU 89 -7.321 -24.990 7.989 657 2HD2 LEU 89 2HD2 LEU 89 -6.150 -24.056 8.921 658 3HD2 LEU 89 3HD2 LEU 89 -6.060 -25.818 8.903 659 H ASN 90 H ASN 90 -1.744 -23.017 9.141 660 HA ASN 90 HA ASN 90 0.417 -23.356 7.490 661 1HB ASN 90 2HB ASN 90 -0.009 -22.029 10.103 662 2HB ASN 90 1HB ASN 90 1.666 -22.317 9.641 663 1HD2 ASN 90 1HD2 ASN 90 1.568 -19.902 9.737 664 2HD2 ASN 90 2HD2 ASN 90 1.156 -19.073 8.278 665 H THR 91 H THR 91 -0.195 -24.983 10.566 666 HA THR 91 HA THR 91 2.353 -26.082 10.944 667 HB THR 91 HB THR 91 -0.166 -27.496 11.763 668 HG1 THR 91 1HG THR 91 -0.449 -26.039 13.378 669 1HG2 THR 91 1HG2 THR 91 2.430 -27.039 13.211 670 2HG2 THR 91 2HG2 THR 91 1.957 -28.529 12.395 671 3HG2 THR 91 3HG2 THR 91 1.049 -27.965 13.798 672 H PHE 92 H PHE 92 0.095 -26.835 8.494 673 HA PHE 92 HA PHE 92 0.833 -29.605 8.240 674 1HB PHE 92 2HB PHE 92 -0.989 -27.741 6.824 675 2HB PHE 92 1HB PHE 92 -0.354 -29.088 5.889 676 HD1 PHE 92 1HD PHE 92 -2.147 -28.278 9.035 677 HD2 PHE 92 2HD PHE 92 -1.302 -31.198 6.057 678 HE1 PHE 92 1HE PHE 92 -3.850 -29.762 10.011 679 HE2 PHE 92 2HE PHE 92 -3.002 -32.686 7.024 680 HZ PHE 92 HZ PHE 92 -4.281 -31.970 9.005 681 H THR 93 H THR 93 2.356 -26.732 7.466 682 HA THR 93 HA THR 93 4.258 -26.266 6.313 683 HB THR 93 HB THR 93 4.669 -28.989 5.249 684 HG1 THR 93 1HG THR 93 4.956 -29.941 7.195 685 1HG2 THR 93 1HG2 THR 93 6.693 -28.191 7.045 686 2HG2 THR 93 2HG2 THR 93 6.266 -26.791 6.061 687 3HG2 THR 93 3HG2 THR 93 6.761 -28.296 5.286 688 H VAL 94 H VAL 94 5.247 -27.338 3.901 689 HA VAL 94 HA VAL 94 3.048 -26.684 2.054 690 HB VAL 94 HB VAL 94 5.988 -26.234 1.556 691 1HG1 VAL 94 1HG1 VAL 94 3.545 -25.947 -0.037 692 2HG1 VAL 94 2HG1 VAL 94 5.224 -26.121 -0.551 693 3HG1 VAL 94 3HG1 VAL 94 4.608 -24.541 -0.070 694 1HG2 VAL 94 1HG2 VAL 94 5.734 -24.596 3.089 695 2HG2 VAL 94 2HG2 VAL 94 3.977 -24.585 2.943 696 3HG2 VAL 94 3HG2 VAL 94 4.966 -23.749 1.747 697 H GLU 95 H GLU 95 5.976 -28.584 2.500 698 HA GLU 95 HA GLU 95 5.583 -30.157 0.131 699 1HB GLU 95 2HB GLU 95 7.502 -31.462 0.961 700 2HB GLU 95 1HB GLU 95 7.835 -29.736 0.936 701 1HG GLU 95 2HG GLU 95 7.663 -29.563 3.275 702 2HG GLU 95 1HG GLU 95 6.921 -31.157 3.415 703 H GLN 96 H GLN 96 4.451 -30.276 3.360 704 HA GLN 96 HA GLN 96 4.035 -33.108 3.481 705 1HB GLN 96 2HB GLN 96 3.885 -30.898 5.278 706 2HB GLN 96 1HB GLN 96 2.329 -31.719 5.305 707 1HG GLN 96 2HG GLN 96 4.267 -33.740 5.398 708 2HG GLN 96 1HG GLN 96 4.814 -32.484 6.507 709 1HE2 GLN 96 1HE2 GLN 96 2.554 -34.983 5.931 710 2HE2 GLN 96 2HE2 GLN 96 1.687 -34.855 7.420 711 H LEU 97 H LEU 97 2.286 -30.355 2.357 712 HA LEU 97 HA LEU 97 -0.269 -31.670 2.259 713 1HB LEU 97 2HB LEU 97 0.136 -29.410 0.430 714 2HB LEU 97 1HB LEU 97 -1.089 -29.674 1.640 715 HG LEU 97 HG LEU 97 1.548 -28.985 2.725 716 1HD1 LEU 97 1HD1 LEU 97 1.073 -26.545 2.253 717 2HD1 LEU 97 2HD1 LEU 97 -0.008 -27.108 0.978 718 3HD1 LEU 97 3HD1 LEU 97 1.706 -27.499 0.912 719 1HD2 LEU 97 1HD2 LEU 97 0.226 -27.768 4.269 720 2HD2 LEU 97 2HD2 LEU 97 -0.595 -29.301 3.980 721 3HD2 LEU 97 3HD2 LEU 97 -1.178 -27.833 3.205 722 H LYS 98 H LYS 98 2.006 -30.491 -0.184 723 HA LYS 98 HA LYS 98 0.993 -31.703 -2.455 724 1HB LYS 98 2HB LYS 98 3.562 -30.648 -1.596 725 2HB LYS 98 1HB LYS 98 3.764 -32.006 -2.691 726 1HG LYS 98 2HG LYS 98 3.759 -29.862 -3.861 727 2HG LYS 98 1HG LYS 98 2.425 -30.892 -4.370 728 1HD LYS 98 2HD LYS 98 1.541 -28.704 -4.113 729 2HD LYS 98 1HD LYS 98 0.976 -29.649 -2.736 730 1HE LYS 98 2HE LYS 98 1.997 -27.218 -2.453 731 2HE LYS 98 1HE LYS 98 2.228 -28.475 -1.240 732 1HZ LYS 98 1HZ LYS 98 4.167 -27.960 -3.425 733 2HZ LYS 98 2HZ LYS 98 4.397 -28.904 -2.041 734 3HZ LYS 98 3HZ LYS 98 4.274 -27.223 -1.906 735 H ALA 99 H ALA 99 2.871 -33.186 0.138 736 HA ALA 99 HA ALA 99 3.062 -35.693 -1.286 737 1HB ALA 99 1HB ALA 99 4.272 -36.509 0.646 738 2HB ALA 99 2HB ALA 99 3.836 -35.059 1.551 739 3HB ALA 99 3HB ALA 99 4.904 -34.937 0.153 740 H GLN 100 H GLN 100 0.936 -34.212 0.900 741 HA GLN 100 HA GLN 100 -0.237 -36.694 1.816 742 1HB GLN 100 2HB GLN 100 -0.549 -33.827 2.487 743 2HB GLN 100 1HB GLN 100 -1.969 -34.837 2.704 744 1HG GLN 100 2HG GLN 100 0.564 -35.874 3.805 745 2HG GLN 100 1HG GLN 100 -0.131 -34.463 4.601 746 1HE2 GLN 100 1HE2 GLN 100 -0.877 -35.336 6.440 747 2HE2 GLN 100 2HE2 GLN 100 -2.052 -36.598 6.526 748 H LEU 101 H LEU 101 -1.059 -34.067 -0.401 749 HA LEU 101 HA LEU 101 -3.703 -34.828 -0.924 750 1HB LEU 101 2HB LEU 101 -1.642 -33.247 -2.374 751 2HB LEU 101 1HB LEU 101 -2.999 -33.823 -3.316 752 HG LEU 101 HG LEU 101 -2.911 -31.745 -1.189 753 1HD1 LEU 101 1HD1 LEU 101 -2.908 -31.103 -3.519 754 2HD1 LEU 101 2HD1 LEU 101 -4.410 -30.600 -2.744 755 3HD1 LEU 101 3HD1 LEU 101 -4.390 -32.018 -3.792 756 1HD2 LEU 101 1HD2 LEU 101 -5.268 -31.854 -0.746 757 2HD2 LEU 101 2HD2 LEU 101 -4.563 -33.421 -0.358 758 3HD2 LEU 101 3HD2 LEU 101 -5.458 -33.209 -1.861 759 H THR 102 H THR 102 -0.681 -35.694 -2.543 760 HA THR 102 HA THR 102 -1.860 -37.407 -4.459 761 HB THR 102 HB THR 102 0.693 -38.392 -4.105 762 HG1 THR 102 1HG THR 102 0.874 -35.606 -3.692 763 1HG2 THR 102 1HG2 THR 102 1.330 -36.704 -5.881 764 2HG2 THR 102 2HG2 THR 102 -0.339 -36.139 -5.780 765 3HG2 THR 102 3HG2 THR 102 0.003 -37.805 -6.252 766 H GLU 103 H GLU 103 -0.567 -37.932 -1.229 767 HA GLU 103 HA GLU 103 -0.975 -40.771 -1.381 768 1HB GLU 103 2HB GLU 103 0.691 -39.256 0.111 769 2HB GLU 103 1HB GLU 103 -0.605 -39.517 1.270 770 1HG GLU 103 2HG GLU 103 0.441 -41.410 1.774 771 2HG GLU 103 1HG GLU 103 -0.201 -42.029 0.253 772 H ARG 104 H ARG 104 -3.002 -38.213 -0.964 773 HA ARG 104 HA ARG 104 -4.829 -39.644 0.824 774 1HB ARG 104 2HB ARG 104 -4.402 -37.328 1.414 775 2HB ARG 104 1HB ARG 104 -4.875 -36.798 -0.192 776 1HG ARG 104 2HG ARG 104 -7.157 -37.533 0.217 777 2HG ARG 104 1HG ARG 104 -6.692 -38.121 1.814 778 1HD ARG 104 2HD ARG 104 -5.797 -35.521 1.829 779 2HD ARG 104 1HD ARG 104 -7.299 -35.413 0.912 780 HE ARG 104 HE ARG 104 -8.469 -35.863 2.830 781 1HH1 ARG 104 1HH1 ARG 104 -5.099 -36.603 3.353 782 2HH1 ARG 104 2HH1 ARG 104 -5.290 -36.852 5.056 783 1HH2 ARG 104 1HH2 ARG 104 -8.722 -36.193 5.068 784 2HH2 ARG 104 2HH2 ARG 104 -7.346 -36.621 6.030 785 H GLY 105 H GLY 105 -4.313 -39.025 -2.491 786 1HA GLY 105 2HA GLY 105 -5.535 -40.195 -4.158 787 2HA GLY 105 1HA GLY 105 -6.924 -40.218 -3.085 788 H ILE 106 H ILE 106 -4.955 -37.405 -3.972 789 HA ILE 106 HA ILE 106 -7.375 -36.235 -5.179 790 HB ILE 106 HB ILE 106 -5.044 -34.893 -3.809 791 1HG1 ILE 106 2HG1 ILE 106 -7.162 -33.899 -2.582 792 2HG1 ILE 106 1HG1 ILE 106 -7.928 -35.366 -3.182 793 1HG2 ILE 106 1HG2 ILE 106 -6.348 -32.770 -4.277 794 2HG2 ILE 106 2HG2 ILE 106 -7.241 -33.699 -5.480 795 3HG2 ILE 106 3HG2 ILE 106 -5.499 -33.484 -5.648 796 1HD1 ILE 106 1HD1 ILE 106 -7.199 -35.887 -1.029 797 2HD1 ILE 106 2HD1 ILE 106 -5.638 -35.105 -1.272 798 3HD1 ILE 106 3HD1 ILE 106 -6.005 -36.620 -2.098 799 H THR 107 H THR 107 -4.110 -37.169 -5.749 800 HA THR 107 HA THR 107 -2.679 -36.933 -7.507 801 HB THR 107 HB THR 107 -4.430 -38.465 -8.377 802 HG1 THR 107 1HG THR 107 -2.677 -38.124 -9.692 803 1HG2 THR 107 1HG2 THR 107 -6.389 -37.176 -8.532 804 2HG2 THR 107 2HG2 THR 107 -5.906 -37.529 -10.192 805 3HG2 THR 107 3HG2 THR 107 -5.589 -35.938 -9.501 806 H PHE 108 H PHE 108 -3.722 -34.399 -6.410 807 HA PHE 108 HA PHE 108 -3.751 -32.165 -6.869 808 1HB PHE 108 2HB PHE 108 -1.764 -33.168 -8.910 809 2HB PHE 108 1HB PHE 108 -2.043 -31.459 -8.603 810 HD1 PHE 108 2HD PHE 108 -0.681 -34.570 -7.246 811 HD2 PHE 108 1HD PHE 108 -1.266 -30.410 -6.585 812 HE1 PHE 108 2HE PHE 108 0.954 -34.632 -5.409 813 HE2 PHE 108 1HE PHE 108 0.366 -30.461 -4.759 814 HZ PHE 108 HZ PHE 108 1.479 -32.580 -4.162 815 H LYS 109 H LYS 109 -3.445 -30.784 -9.345 816 HA LYS 109 HA LYS 109 -4.844 -29.840 -10.870 817 1HB LYS 109 2HB LYS 109 -5.611 -31.455 -12.654 818 2HB LYS 109 1HB LYS 109 -3.885 -31.435 -12.332 819 1HG LYS 109 2HG LYS 109 -4.060 -33.475 -11.053 820 2HG LYS 109 1HG LYS 109 -5.815 -33.473 -11.242 821 1HD LYS 109 2HD LYS 109 -5.578 -33.725 -13.647 822 2HD LYS 109 1HD LYS 109 -3.821 -33.651 -13.500 823 1HE LYS 109 2HE LYS 109 -4.065 -35.669 -11.935 824 2HE LYS 109 1HE LYS 109 -5.696 -35.811 -12.590 825 1HZ LYS 109 1HZ LYS 109 -4.278 -35.613 -14.831 826 2HZ LYS 109 2HZ LYS 109 -4.652 -37.090 -14.097 827 3HZ LYS 109 3HZ LYS 109 -3.139 -36.379 -13.842 828 H GLN 110 H GLN 110 -6.508 -29.020 -9.680 829 HA GLN 110 HA GLN 110 -9.097 -29.899 -10.213 830 1HB GLN 110 2HB GLN 110 -8.029 -31.556 -8.346 831 2HB GLN 110 1HB GLN 110 -8.732 -30.322 -7.311 832 1HG GLN 110 2HG GLN 110 -10.858 -30.882 -7.847 833 2HG GLN 110 1HG GLN 110 -10.434 -31.381 -9.484 834 1HE2 GLN 110 1HE2 GLN 110 -9.551 -32.354 -6.183 835 2HE2 GLN 110 2HE2 GLN 110 -9.793 -34.047 -6.435 836 H SER 111 H SER 111 -7.303 -28.506 -7.466 837 HA SER 111 HA SER 111 -8.037 -25.857 -7.928 838 1HB SER 111 2HB SER 111 -10.259 -27.214 -7.109 839 2HB SER 111 1HB SER 111 -9.626 -26.639 -5.567 840 HG SER 111 HG SER 111 -9.575 -24.522 -6.525 841 H ALA 112 H ALA 112 -5.734 -27.200 -7.150 842 HA ALA 112 HA ALA 112 -5.166 -25.844 -4.628 843 1HB ALA 112 1HB ALA 112 -3.846 -28.402 -4.612 844 2HB ALA 112 2HB ALA 112 -5.594 -28.604 -4.721 845 3HB ALA 112 3HB ALA 112 -4.896 -27.673 -3.396 846 H THR 113 H THR 113 -3.001 -25.256 -4.354 847 HA THR 113 HA THR 113 -1.140 -25.930 -6.511 848 HB THR 113 HB THR 113 -0.504 -23.601 -6.830 849 HG1 THR 113 1HG THR 113 -2.626 -22.945 -5.070 850 1HG2 THR 113 1HG2 THR 113 -2.908 -24.683 -7.677 851 2HG2 THR 113 2HG2 THR 113 -2.080 -23.274 -8.341 852 3HG2 THR 113 3HG2 THR 113 -3.316 -23.068 -7.101 853 H LYS 114 H LYS 114 -0.934 -23.463 -3.967 854 HA LYS 114 HA LYS 114 0.851 -25.154 -2.441 855 1HB LYS 114 2HB LYS 114 2.652 -24.250 -3.470 856 2HB LYS 114 1HB LYS 114 1.747 -22.867 -4.060 857 1HG LYS 114 2HG LYS 114 1.934 -21.813 -1.855 858 2HG LYS 114 1HG LYS 114 2.853 -23.204 -1.276 859 1HD LYS 114 2HD LYS 114 4.303 -22.600 -3.443 860 2HD LYS 114 1HD LYS 114 3.668 -20.995 -3.071 861 1HE LYS 114 2HE LYS 114 5.356 -22.786 -1.347 862 2HE LYS 114 1HE LYS 114 5.717 -21.157 -1.915 863 1HZ LYS 114 1HZ LYS 114 5.101 -20.913 0.311 864 2HZ LYS 114 2HZ LYS 114 3.797 -21.981 0.177 865 3HZ LYS 114 3HZ LYS 114 3.718 -20.456 -0.551 866 H ALA 115 H ALA 115 -0.318 -21.801 -2.637 867 HA ALA 115 HA ALA 115 -0.506 -21.670 0.246 868 1HB ALA 115 1HB ALA 115 -0.745 -19.758 -1.993 869 2HB ALA 115 2HB ALA 115 0.023 -19.569 -0.416 870 3HB ALA 115 3HB ALA 115 -1.727 -19.412 -0.568 871 H GLU 116 H GLU 116 -2.479 -22.474 -2.435 872 HA GLU 116 HA GLU 116 -4.973 -22.096 -0.995 873 1HB GLU 116 2HB GLU 116 -4.916 -21.639 -3.403 874 2HB GLU 116 1HB GLU 116 -4.422 -23.297 -3.717 875 1HG GLU 116 2HG GLU 116 -6.732 -23.151 -4.198 876 2HG GLU 116 1HG GLU 116 -6.574 -24.043 -2.686 877 H LEU 117 H LEU 117 -2.861 -24.714 -2.022 878 HA LEU 117 HA LEU 117 -4.648 -26.751 -1.113 879 1HB LEU 117 2HB LEU 117 -3.314 -28.102 -2.235 880 2HB LEU 117 1HB LEU 117 -2.386 -26.709 -2.718 881 HG LEU 117 HG LEU 117 -1.637 -27.978 -0.150 882 1HD1 LEU 117 1HD1 LEU 117 -0.398 -29.720 -1.297 883 2HD1 LEU 117 2HD1 LEU 117 -1.084 -29.216 -2.838 884 3HD1 LEU 117 3HD1 LEU 117 -2.124 -29.895 -1.586 885 1HD2 LEU 117 1HD2 LEU 117 -0.028 -27.027 -2.514 886 2HD2 LEU 117 2HD2 LEU 117 0.564 -27.381 -0.891 887 3HD2 LEU 117 3HD2 LEU 117 -0.498 -26.000 -1.160 888 H ILE 118 H ILE 118 -1.911 -25.015 0.231 889 HA ILE 118 HA ILE 118 -1.585 -26.635 2.492 890 HB ILE 118 HB ILE 118 0.080 -24.952 1.771 891 1HG1 ILE 118 2HG1 ILE 118 -0.077 -25.937 4.117 892 2HG1 ILE 118 1HG1 ILE 118 0.886 -24.477 3.934 893 1HG2 ILE 118 1HG2 ILE 118 -0.153 -22.616 2.374 894 2HG2 ILE 118 2HG2 ILE 118 -1.787 -22.912 2.961 895 3HG2 ILE 118 3HG2 ILE 118 -1.415 -23.101 1.245 896 1HD1 ILE 118 1HD1 ILE 118 -0.293 -23.540 5.546 897 2HD1 ILE 118 2HD1 ILE 118 -1.322 -24.968 5.656 898 3HD1 ILE 118 3HD1 ILE 118 -1.742 -23.662 4.549 899 H ALA 119 H ALA 119 -3.900 -24.158 1.693 900 HA ALA 119 HA ALA 119 -4.865 -23.936 4.427 901 1HB ALA 119 1HB ALA 119 -5.375 -22.532 1.873 902 2HB ALA 119 2HB ALA 119 -5.131 -21.888 3.496 903 3HB ALA 119 3HB ALA 119 -6.692 -22.574 3.044 904 H LEU 120 H LEU 120 -5.737 -25.495 1.421 905 HA LEU 120 HA LEU 120 -8.390 -26.144 1.958 906 1HB LEU 120 2HB LEU 120 -6.748 -26.497 -0.136 907 2HB LEU 120 1HB LEU 120 -6.798 -28.139 0.474 908 HG LEU 120 HG LEU 120 -9.437 -26.874 0.233 909 1HD1 LEU 120 1HD1 LEU 120 -7.962 -27.579 -2.293 910 2HD1 LEU 120 2HD1 LEU 120 -8.179 -25.925 -1.720 911 3HD1 LEU 120 3HD1 LEU 120 -9.585 -26.906 -2.135 912 1HD2 LEU 120 1HD2 LEU 120 -8.753 -29.365 -1.182 913 2HD2 LEU 120 2HD2 LEU 120 -10.107 -28.997 -0.113 914 3HD2 LEU 120 3HD2 LEU 120 -8.528 -29.390 0.567 915 H PHE 121 H PHE 121 -5.513 -28.204 2.503 916 HA PHE 121 HA PHE 121 -6.641 -30.478 3.436 917 1HB PHE 121 2HB PHE 121 -4.139 -29.044 4.205 918 2HB PHE 121 1HB PHE 121 -4.621 -30.464 5.128 919 HD1 PHE 121 1HD PHE 121 -4.709 -32.671 4.056 920 HD2 PHE 121 2HD PHE 121 -3.382 -29.222 1.963 921 HE1 PHE 121 1HE PHE 121 -3.710 -34.103 2.333 922 HE2 PHE 121 2HE PHE 121 -2.375 -30.640 0.245 923 HZ PHE 121 HZ PHE 121 -2.541 -33.084 0.424 924 H ALA 122 H ALA 122 -8.567 -30.146 4.536 925 HA ALA 122 HA ALA 122 -8.408 -30.039 7.347 926 1HB ALA 122 1HB ALA 122 -9.701 -27.594 6.161 927 2HB ALA 122 2HB ALA 122 -8.062 -27.617 6.812 928 3HB ALA 122 3HB ALA 122 -9.434 -27.956 7.867 929 HA PRO 123 HA PRO 123 -12.194 -32.168 6.144 930 1HB PRO 123 2HB PRO 123 -12.649 -33.352 8.536 931 2HB PRO 123 1HB PRO 123 -11.440 -33.948 7.392 932 1HG PRO 123 2HG PRO 123 -11.067 -32.241 9.825 933 2HG PRO 123 1HG PRO 123 -10.105 -33.624 9.271 934 1HD PRO 123 2HD PRO 123 -9.341 -31.054 8.870 935 2HD PRO 123 1HD PRO 123 -8.940 -32.361 7.737 936 H ALA 124 H ALA 124 -12.720 -29.610 6.325 937 HA ALA 124 HA ALA 124 -15.255 -29.425 7.485 938 1HB ALA 124 1HB ALA 124 -14.198 -29.382 9.632 939 2HB ALA 124 2HB ALA 124 -14.778 -27.754 9.277 940 3HB ALA 124 3HB ALA 124 -13.065 -28.137 9.106 941 H ASP 125 H ASP 125 -15.933 -26.981 7.647 942 HA ASP 125 HA ASP 125 -14.530 -25.020 6.222 943 1HB ASP 125 2HB ASP 125 -15.812 -26.979 4.556 944 2HB ASP 125 1HB ASP 125 -16.603 -25.422 4.333 945 H GLY 126 H GLY 126 -16.126 -23.242 5.412 946 1HA GLY 126 2HA GLY 126 -18.572 -23.209 7.033 947 2HA GLY 126 1HA GLY 126 -17.387 -21.937 7.288 948 H GLU 127 H GLU 127 -19.434 -20.707 6.699 949 HA GLU 127 HA GLU 127 -19.994 -20.625 3.846 950 1HB GLU 127 2HB GLU 127 -21.257 -19.517 6.300 951 2HB GLU 127 1HB GLU 127 -21.495 -18.629 4.801 952 1HG GLU 127 2HG GLU 127 -22.932 -20.133 4.004 953 2HG GLU 127 1HG GLU 127 -21.937 -21.493 4.519 954 H LYS 128 H LYS 128 -18.208 -18.857 6.242 955 HA LYS 128 HA LYS 128 -17.996 -16.363 5.021 956 1HB LYS 128 2HB LYS 128 -16.769 -17.731 7.193 957 2HB LYS 128 1HB LYS 128 -15.489 -17.022 6.219 958 1HG LYS 128 2HG LYS 128 -15.876 -15.218 7.492 959 2HG LYS 128 1HG LYS 128 -17.195 -14.941 6.352 960 1HD LYS 128 2HD LYS 128 -18.373 -16.630 8.124 961 2HD LYS 128 1HD LYS 128 -17.272 -15.741 9.180 962 1HE LYS 128 2HE LYS 128 -18.926 -14.215 7.230 963 2HE LYS 128 1HE LYS 128 -19.707 -14.861 8.672 964 1HZ LYS 128 1HZ LYS 128 -17.563 -13.739 9.755 965 2HZ LYS 128 2HZ LYS 128 -19.021 -12.911 9.529 966 3HZ LYS 128 3HZ LYS 128 -17.760 -12.718 8.419 967 H SER 129 H SER 129 -15.876 -15.492 4.097 968 HA SER 129 HA SER 129 -15.213 -17.120 1.783 969 1HB SER 129 2HB SER 129 -15.214 -14.272 2.431 970 2HB SER 129 1HB SER 129 -13.758 -14.769 1.568 971 HG SER 129 HG SER 129 -14.995 -15.481 -0.110 972 H GLU 130 H GLU 130 -13.256 -15.116 3.996 973 HA GLU 130 HA GLU 130 -10.873 -16.579 3.405 974 1HB GLU 130 2HB GLU 130 -11.501 -14.116 4.598 975 2HB GLU 130 1HB GLU 130 -10.704 -15.053 5.854 976 1HG GLU 130 2HG GLU 130 -8.708 -14.919 4.861 977 2HG GLU 130 1HG GLU 130 -9.380 -15.173 3.250 978 H ALA 131 H ALA 131 -9.535 -17.607 5.111 979 HA ALA 131 HA ALA 131 -11.221 -19.352 6.752 980 1HB ALA 131 1HB ALA 131 -8.799 -20.474 6.966 981 2HB ALA 131 2HB ALA 131 -8.595 -19.637 5.427 982 3HB ALA 131 3HB ALA 131 -9.900 -20.806 5.629 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 22.945 12.056 20.834 2 2H GLY 1 2HT GLY 1 22.287 12.997 22.076 3 3H GLY 1 3HT GLY 1 21.314 11.887 21.251 4 1HA GLY 1 1HA GLY 1 23.666 11.135 22.895 5 2HA GLY 1 2HA GLY 1 22.013 11.128 23.492 6 H SER 2 H SER 2 21.096 9.197 23.489 7 HA SER 2 HA SER 2 22.206 7.066 21.865 8 1HB SER 2 2HB SER 2 19.971 7.022 23.908 9 2HB SER 2 1HB SER 2 20.688 5.604 23.145 10 HG SER 2 HG SER 2 22.716 6.321 24.076 11 H HIS 3 H HIS 3 21.408 6.417 19.981 12 HA HIS 3 HA HIS 3 18.824 7.488 19.111 13 1HB HIS 3 2HB HIS 3 21.053 7.689 17.774 14 2HB HIS 3 1HB HIS 3 20.732 6.020 17.318 15 HD1 HIS 3 1HD HIS 3 19.746 5.981 15.061 16 HD2 HIS 3 2HD HIS 3 18.351 9.199 17.289 17 HE1 HIS 3 1HE HIS 3 18.090 7.158 13.578 18 HE2 HIS 3 2HE HIS 3 17.190 9.046 14.983 19 H MET 4 H MET 4 20.446 4.521 19.891 20 HA MET 4 HA MET 4 19.702 2.385 20.124 21 1HB MET 4 2HB MET 4 16.914 3.440 19.666 22 2HB MET 4 1HB MET 4 17.385 1.985 20.533 23 1HG MET 4 2HG MET 4 18.329 4.641 21.496 24 2HG MET 4 1HG MET 4 16.678 4.124 21.830 25 1HE MET 4 1HE MET 4 16.150 2.009 23.737 26 2HE MET 4 2HE MET 4 16.316 3.748 23.982 27 3HE MET 4 3HE MET 4 17.116 2.624 25.079 28 H ASP 5 H ASP 5 20.217 1.031 18.547 29 HA ASP 5 HA ASP 5 19.768 1.473 15.821 30 1HB ASP 5 2HB ASP 5 21.318 -0.244 17.214 31 2HB ASP 5 1HB ASP 5 20.037 -1.342 16.706 32 H LYS 6 H LYS 6 17.605 1.929 15.427 33 HA LYS 6 HA LYS 6 15.856 -0.425 15.423 34 1HB LYS 6 2HB LYS 6 15.438 2.088 16.869 35 2HB LYS 6 1HB LYS 6 14.083 1.641 15.843 36 1HG LYS 6 2HG LYS 6 15.305 -0.320 17.748 37 2HG LYS 6 1HG LYS 6 14.083 0.841 18.270 38 1HD LYS 6 2HD LYS 6 12.582 -0.018 16.487 39 2HD LYS 6 1HD LYS 6 13.792 -1.246 16.111 40 1HE LYS 6 2HE LYS 6 12.805 -0.968 18.914 41 2HE LYS 6 1HE LYS 6 11.798 -1.787 17.720 42 1HZ LYS 6 1HZ LYS 6 14.291 -2.638 18.940 43 2HZ LYS 6 2HZ LYS 6 14.140 -2.972 17.290 44 3HZ LYS 6 3HZ LYS 6 12.988 -3.561 18.379 45 H THR 7 H THR 7 17.445 0.900 13.349 46 HA THR 7 HA THR 7 15.339 1.997 11.613 47 HB THR 7 HB THR 7 17.300 3.399 11.867 48 HG1 THR 7 1HG THR 7 17.872 3.541 9.653 49 1HG2 THR 7 1HG2 THR 7 19.279 2.032 10.427 50 2HG2 THR 7 2HG2 THR 7 18.725 0.939 11.698 51 3HG2 THR 7 3HG2 THR 7 19.321 2.549 12.113 52 H PHE 8 H PHE 8 14.610 0.861 9.929 53 HA PHE 8 HA PHE 8 16.235 -1.279 8.792 54 1HB PHE 8 2HB PHE 8 13.814 -2.549 8.900 55 2HB PHE 8 1HB PHE 8 15.162 -2.840 9.995 56 HD1 PHE 8 2HD PHE 8 15.217 -1.692 12.198 57 HD2 PHE 8 1HD PHE 8 11.810 -1.569 9.638 58 HE1 PHE 8 2HE PHE 8 13.816 -1.020 14.108 59 HE2 PHE 8 1HE PHE 8 10.404 -0.897 11.555 60 HZ PHE 8 HZ PHE 8 11.407 -0.621 13.785 61 H CYS 9 H CYS 9 15.687 -1.897 6.709 62 HA CYS 9 HA CYS 9 13.937 -0.015 5.297 63 1HB CYS 9 2HB CYS 9 15.685 -2.082 3.972 64 2HB CYS 9 1HB CYS 9 15.112 -0.549 3.325 65 HG CYS 9 HG CYS 9 17.302 0.319 3.961 66 H VAL 10 H VAL 10 11.875 -0.688 5.011 67 HA VAL 10 HA VAL 10 11.374 -3.587 4.824 68 HB VAL 10 HB VAL 10 10.225 -1.752 6.520 69 1HG1 VAL 10 1HG1 VAL 10 8.938 -0.781 4.653 70 2HG1 VAL 10 2HG1 VAL 10 7.905 -1.497 5.892 71 3HG1 VAL 10 3HG1 VAL 10 8.190 -2.356 4.379 72 1HG2 VAL 10 1HG2 VAL 10 8.510 -4.040 5.953 73 2HG2 VAL 10 2HG2 VAL 10 9.362 -3.596 7.430 74 3HG2 VAL 10 3HG2 VAL 10 10.213 -4.446 6.145 75 H VAL 11 H VAL 11 9.868 -4.376 3.304 76 HA VAL 11 HA VAL 11 9.080 -2.517 1.190 77 HB VAL 11 HB VAL 11 11.152 -3.531 0.457 78 1HG1 VAL 11 1HG1 VAL 11 11.679 -5.594 1.048 79 2HG1 VAL 11 2HG1 VAL 11 10.434 -6.208 -0.039 80 3HG1 VAL 11 3HG1 VAL 11 10.046 -5.872 1.647 81 1HG2 VAL 11 1HG2 VAL 11 10.178 -3.280 -1.535 82 2HG2 VAL 11 2HG2 VAL 11 8.620 -3.833 -0.924 83 3HG2 VAL 11 3HG2 VAL 11 9.816 -5.004 -1.476 84 H VAL 12 H VAL 12 7.079 -2.808 0.465 85 HA VAL 12 HA VAL 12 5.510 -5.017 1.556 86 HB VAL 12 HB VAL 12 3.560 -3.754 0.702 87 1HG1 VAL 12 1HG1 VAL 12 5.001 -1.654 2.164 88 2HG1 VAL 12 2HG1 VAL 12 5.044 -3.250 2.914 89 3HG1 VAL 12 3HG1 VAL 12 3.496 -2.483 2.560 90 1HG2 VAL 12 1HG2 VAL 12 5.569 -2.394 -0.805 91 2HG2 VAL 12 2HG2 VAL 12 4.718 -1.226 0.205 92 3HG2 VAL 12 3HG2 VAL 12 3.814 -2.249 -0.911 93 H GLN 13 H GLN 13 5.669 -6.823 0.352 94 HA GLN 13 HA GLN 13 5.784 -6.662 -2.544 95 1HB GLN 13 2HB GLN 13 6.476 -8.618 -0.527 96 2HB GLN 13 1HB GLN 13 5.504 -9.350 -1.796 97 1HG GLN 13 2HG GLN 13 7.067 -8.573 -3.478 98 2HG GLN 13 1HG GLN 13 8.023 -7.761 -2.238 99 1HE2 GLN 13 1HE2 GLN 13 8.382 -9.450 -0.296 100 2HE2 GLN 13 2HE2 GLN 13 9.118 -10.922 -0.817 101 H ASN 14 H ASN 14 3.913 -6.236 -3.531 102 HA ASN 14 HA ASN 14 1.485 -7.596 -2.578 103 1HB ASN 14 2HB ASN 14 1.800 -4.947 -2.954 104 2HB ASN 14 1HB ASN 14 1.258 -5.409 -4.567 105 1HD2 ASN 14 1HD2 ASN 14 -0.796 -4.935 -4.748 106 2HD2 ASN 14 2HD2 ASN 14 -2.027 -5.278 -3.586 107 H ARG 15 H ARG 15 1.018 -9.364 -3.673 108 HA ARG 15 HA ARG 15 1.656 -9.487 -6.541 109 1HB ARG 15 2HB ARG 15 1.424 -11.938 -6.294 110 2HB ARG 15 1HB ARG 15 2.665 -11.276 -5.239 111 1HG ARG 15 2HG ARG 15 -0.053 -11.548 -4.106 112 2HG ARG 15 1HG ARG 15 0.852 -13.033 -4.408 113 1HD ARG 15 2HD ARG 15 2.438 -12.550 -2.839 114 2HD ARG 15 1HD ARG 15 2.260 -10.807 -3.039 115 HE ARG 15 HE ARG 15 -0.093 -11.575 -1.919 116 1HH1 ARG 15 1HH1 ARG 15 3.258 -12.018 -1.051 117 2HH1 ARG 15 2HH1 ARG 15 2.943 -12.062 0.650 118 1HH2 ARG 15 1HH2 ARG 15 -0.511 -11.631 0.320 119 2HH2 ARG 15 2HH2 ARG 15 0.802 -11.842 1.429 120 H ILE 16 H ILE 16 -0.518 -7.968 -5.829 121 HA ILE 16 HA ILE 16 -2.846 -9.663 -6.408 122 HB ILE 16 HB ILE 16 -2.707 -6.877 -5.245 123 1HG1 ILE 16 2HG1 ILE 16 -3.793 -8.090 -3.285 124 2HG1 ILE 16 1HG1 ILE 16 -3.345 -9.589 -4.091 125 1HG2 ILE 16 1HG2 ILE 16 -5.278 -8.106 -4.990 126 2HG2 ILE 16 2HG2 ILE 16 -4.817 -8.044 -6.690 127 3HG2 ILE 16 3HG2 ILE 16 -4.845 -6.566 -5.729 128 1HD1 ILE 16 1HD1 ILE 16 -1.298 -9.466 -3.270 129 2HD1 ILE 16 2HD1 ILE 16 -1.801 -8.054 -2.342 130 3HD1 ILE 16 3HD1 ILE 16 -1.077 -7.850 -3.937 131 H LYS 17 H LYS 17 -1.746 -6.337 -7.196 132 HA LYS 17 HA LYS 17 -1.864 -6.699 -9.977 133 1HB LYS 17 2HB LYS 17 -3.920 -5.318 -10.432 134 2HB LYS 17 1HB LYS 17 -4.230 -6.919 -9.777 135 1HG LYS 17 2HG LYS 17 -4.602 -5.979 -7.577 136 2HG LYS 17 1HG LYS 17 -4.228 -4.367 -8.185 137 1HD LYS 17 2HD LYS 17 -6.480 -6.091 -9.210 138 2HD LYS 17 1HD LYS 17 -6.668 -4.837 -7.982 139 1HE LYS 17 2HE LYS 17 -5.266 -3.847 -10.313 140 2HE LYS 17 1HE LYS 17 -6.839 -4.519 -10.740 141 1HZ LYS 17 1HZ LYS 17 -6.561 -2.037 -9.962 142 2HZ LYS 17 2HZ LYS 17 -6.703 -2.735 -8.428 143 3HZ LYS 17 3HZ LYS 17 -7.938 -2.936 -9.565 144 H GLU 18 H GLU 18 -2.475 -4.227 -10.943 145 HA GLU 18 HA GLU 18 -0.318 -2.635 -9.863 146 1HB GLU 18 2HB GLU 18 -2.133 -2.265 -12.246 147 2HB GLU 18 1HB GLU 18 -0.875 -1.121 -11.799 148 1HG GLU 18 2HG GLU 18 0.031 -3.896 -12.028 149 2HG GLU 18 1HG GLU 18 -0.563 -3.186 -13.528 150 H GLY 19 H GLY 19 -3.598 -2.876 -9.214 151 1HA GLY 19 2HA GLY 19 -3.573 -0.178 -8.036 152 2HA GLY 19 1HA GLY 19 -4.955 -0.711 -8.979 153 H TYR 20 H TYR 20 -3.070 -1.365 -6.068 154 HA TYR 20 HA TYR 20 -5.520 -2.418 -4.831 155 1HB TYR 20 2HB TYR 20 -3.598 -4.129 -5.454 156 2HB TYR 20 1HB TYR 20 -2.882 -3.516 -3.966 157 HD1 TYR 20 1HD TYR 20 -6.304 -4.546 -5.085 158 HD2 TYR 20 2HD TYR 20 -3.259 -4.855 -2.130 159 HE1 TYR 20 1HE TYR 20 -7.730 -6.067 -3.783 160 HE2 TYR 20 2HE TYR 20 -4.675 -6.379 -0.821 161 HH TYR 20 HH TYR 20 -6.672 -8.032 -1.448 162 H ARG 21 H ARG 21 -4.110 0.219 -4.821 163 HA ARG 21 HA ARG 21 -3.688 1.890 -3.336 164 1HB ARG 21 2HB ARG 21 -4.961 -0.021 -1.375 165 2HB ARG 21 1HB ARG 21 -4.700 1.697 -1.104 166 1HG ARG 21 2HG ARG 21 -6.605 0.363 -2.987 167 2HG ARG 21 1HG ARG 21 -6.952 1.489 -1.676 168 1HD ARG 21 2HD ARG 21 -5.820 3.274 -2.936 169 2HD ARG 21 1HD ARG 21 -5.528 2.140 -4.254 170 HE ARG 21 HE ARG 21 -7.665 2.497 -4.953 171 1HH1 ARG 21 1HH1 ARG 21 -7.454 3.406 -1.590 172 2HH1 ARG 21 2HH1 ARG 21 -9.076 4.008 -1.522 173 1HH2 ARG 21 1HH2 ARG 21 -9.799 3.289 -4.865 174 2HH2 ARG 21 2HH2 ARG 21 -10.407 3.941 -3.380 175 H ARG 22 H ARG 22 -2.591 2.394 -1.192 176 HA ARG 22 HA ARG 22 -0.969 0.590 0.134 177 1HB ARG 22 2HB ARG 22 0.239 0.307 -1.956 178 2HB ARG 22 1HB ARG 22 0.468 2.044 -2.090 179 1HG ARG 22 2HG ARG 22 1.611 1.659 0.291 180 2HG ARG 22 1HG ARG 22 1.880 0.064 -0.411 181 1HD ARG 22 2HD ARG 22 3.614 0.885 -1.527 182 2HD ARG 22 1HD ARG 22 2.512 1.937 -2.414 183 HE ARG 22 HE ARG 22 3.186 3.709 -1.108 184 1HH1 ARG 22 1HH1 ARG 22 4.396 0.734 0.259 185 2HH1 ARG 22 2HH1 ARG 22 5.444 1.532 1.382 186 1HH2 ARG 22 1HH2 ARG 22 4.563 4.758 0.369 187 2HH2 ARG 22 2HH2 ARG 22 5.538 3.816 1.446 188 H ALA 23 H ALA 23 0.256 3.654 -1.117 189 HA ALA 23 HA ALA 23 0.082 4.745 1.601 190 1HB ALA 23 1HB ALA 23 1.747 6.389 0.848 191 2HB ALA 23 2HB ALA 23 1.739 5.650 -0.753 192 3HB ALA 23 3HB ALA 23 2.316 4.733 0.638 193 H GLY 24 H GLY 24 -1.986 4.579 -0.698 194 1HA GLY 24 2HA GLY 24 -3.892 5.907 -0.979 195 2HA GLY 24 1HA GLY 24 -3.023 7.264 -0.277 196 H PHE 25 H PHE 25 -1.915 5.207 -2.925 197 HA PHE 25 HA PHE 25 -2.559 7.217 -4.905 198 1HB PHE 25 2HB PHE 25 -0.362 7.835 -5.509 199 2HB PHE 25 1HB PHE 25 -0.423 7.973 -3.757 200 HD1 PHE 25 2HD PHE 25 -0.001 5.271 -2.814 201 HD2 PHE 25 1HD PHE 25 1.783 7.292 -6.111 202 HE1 PHE 25 2HE PHE 25 1.967 3.811 -2.643 203 HE2 PHE 25 1HE PHE 25 3.754 5.831 -5.942 204 HZ PHE 25 HZ PHE 25 3.849 4.089 -4.207 205 H SER 26 H SER 26 -3.250 4.461 -4.587 206 HA SER 26 HA SER 26 -3.265 2.448 -5.680 207 1HB SER 26 2HB SER 26 -2.600 3.740 -8.262 208 2HB SER 26 1HB SER 26 -3.963 2.707 -7.834 209 HG SER 26 HG SER 26 -4.326 5.074 -8.251 210 H PHE 27 H PHE 27 -1.503 1.306 -4.966 211 HA PHE 27 HA PHE 27 1.134 1.783 -5.994 212 1HB PHE 27 2HB PHE 27 0.892 0.975 -3.733 213 2HB PHE 27 1HB PHE 27 0.009 -0.442 -4.285 214 HD1 PHE 27 1HD PHE 27 3.090 0.998 -5.762 215 HD2 PHE 27 2HD PHE 27 1.368 -2.175 -3.509 216 HE1 PHE 27 1HE PHE 27 5.204 -0.251 -5.914 217 HE2 PHE 27 2HE PHE 27 3.479 -3.430 -3.657 218 HZ PHE 27 HZ PHE 27 5.401 -2.469 -4.859 219 H HIS 28 H HIS 28 2.247 0.668 -7.530 220 HA HIS 28 HA HIS 28 0.769 -0.719 -9.521 221 1HB HIS 28 2HB HIS 28 3.765 -0.806 -9.327 222 2HB HIS 28 1HB HIS 28 2.754 -0.759 -10.766 223 HD1 HIS 28 1HD HIS 28 1.910 1.554 -11.552 224 HD2 HIS 28 2HD HIS 28 4.332 1.687 -8.178 225 HE1 HIS 28 1HE HIS 28 2.517 3.977 -11.256 226 HE2 HIS 28 2HE HIS 28 3.916 4.042 -9.161 227 H LEU 29 H LEU 29 1.839 -2.856 -10.405 228 HA LEU 29 HA LEU 29 1.495 -4.806 -8.304 229 1HB LEU 29 2HB LEU 29 0.509 -5.099 -10.565 230 2HB LEU 29 1HB LEU 29 2.128 -5.240 -11.223 231 HG LEU 29 HG LEU 29 0.877 -7.406 -10.845 232 1HD1 LEU 29 1HD1 LEU 29 3.327 -7.593 -9.216 233 2HD1 LEU 29 2HD1 LEU 29 3.502 -6.884 -10.822 234 3HD1 LEU 29 3HD1 LEU 29 2.834 -8.507 -10.642 235 1HD2 LEU 29 1HD2 LEU 29 1.676 -7.419 -8.019 236 2HD2 LEU 29 2HD2 LEU 29 0.258 -8.113 -8.805 237 3HD2 LEU 29 3HD2 LEU 29 0.293 -6.395 -8.407 238 H GLY 30 H GLY 30 3.182 -5.001 -6.989 239 1HA GLY 30 2HA GLY 30 5.414 -6.455 -7.533 240 2HA GLY 30 1HA GLY 30 5.903 -4.810 -7.912 241 H ASP 31 H ASP 31 7.345 -4.496 -6.278 242 HA ASP 31 HA ASP 31 6.185 -4.295 -3.596 243 1HB ASP 31 2HB ASP 31 8.203 -5.285 -2.595 244 2HB ASP 31 1HB ASP 31 7.373 -6.427 -3.644 245 H ASN 32 H ASN 32 6.873 -2.590 -2.416 246 HA ASN 32 HA ASN 32 8.860 -0.815 -3.681 247 1HB ASN 32 2HB ASN 32 6.285 -0.175 -3.270 248 2HB ASN 32 1HB ASN 32 6.932 0.276 -1.695 249 1HD2 ASN 32 1HD2 ASN 32 6.527 1.180 -4.918 250 2HD2 ASN 32 2HD2 ASN 32 7.490 2.615 -4.896 251 H SER 33 H SER 33 10.690 -0.483 -2.565 252 HA SER 33 HA SER 33 10.887 -1.556 0.118 253 1HB SER 33 2HB SER 33 13.345 -0.614 -0.257 254 2HB SER 33 1HB SER 33 12.817 -2.147 -0.953 255 HG SER 33 HG SER 33 12.538 -1.161 -2.913 256 H LEU 34 H LEU 34 11.457 -0.473 1.918 257 HA LEU 34 HA LEU 34 11.120 2.448 1.832 258 1HB LEU 34 2HB LEU 34 9.322 1.431 3.060 259 2HB LEU 34 1HB LEU 34 10.422 0.415 3.967 260 HG LEU 34 HG LEU 34 9.321 2.483 5.060 261 1HD1 LEU 34 1HD1 LEU 34 11.483 2.692 6.421 262 2HD1 LEU 34 2HD1 LEU 34 12.126 1.481 5.306 263 3HD1 LEU 34 3HD1 LEU 34 10.723 1.105 6.299 264 1HD2 LEU 34 1HD2 LEU 34 10.720 3.834 3.114 265 2HD2 LEU 34 2HD2 LEU 34 11.745 3.995 4.540 266 3HD2 LEU 34 3HD2 LEU 34 10.068 4.528 4.595 267 H ALA 35 H ALA 35 12.656 3.727 2.800 268 HA ALA 35 HA ALA 35 15.236 2.636 3.208 269 1HB ALA 35 1HB ALA 35 14.018 5.330 3.280 270 2HB ALA 35 2HB ALA 35 15.457 4.755 2.440 271 3HB ALA 35 3HB ALA 35 15.525 5.103 4.167 272 H ALA 36 H ALA 36 16.484 2.813 5.156 273 HA ALA 36 HA ALA 36 15.079 1.771 7.385 274 1HB ALA 36 1HB ALA 36 17.829 2.791 7.765 275 2HB ALA 36 2HB ALA 36 17.596 1.522 6.565 276 3HB ALA 36 3HB ALA 36 17.115 1.250 8.240 277 H VAL 37 H VAL 37 13.773 2.954 8.552 278 HA VAL 37 HA VAL 37 14.731 5.533 9.587 279 HB VAL 37 HB VAL 37 12.835 6.657 9.041 280 1HG1 VAL 37 1HG1 VAL 37 13.682 5.234 6.978 281 2HG1 VAL 37 2HG1 VAL 37 12.263 6.275 6.866 282 3HG1 VAL 37 3HG1 VAL 37 12.065 4.539 7.107 283 1HG2 VAL 37 1HG2 VAL 37 11.203 5.705 10.371 284 2HG2 VAL 37 2HG2 VAL 37 11.396 4.108 9.650 285 3HG2 VAL 37 3HG2 VAL 37 10.578 5.387 8.754 286 H SER 38 H SER 38 12.942 6.197 11.396 287 HA SER 38 HA SER 38 13.495 4.726 13.641 288 1HB SER 38 2HB SER 38 11.974 6.993 13.050 289 2HB SER 38 1HB SER 38 10.846 5.896 13.843 290 HG SER 38 HG SER 38 12.626 5.660 15.454 291 H GLU 39 H GLU 39 10.239 4.727 12.166 292 HA GLU 39 HA GLU 39 9.986 1.942 11.978 293 1HB GLU 39 2HB GLU 39 10.142 2.003 14.424 294 2HB GLU 39 1HB GLU 39 8.774 3.104 14.489 295 1HG GLU 39 2HG GLU 39 8.131 0.717 12.998 296 2HG GLU 39 1HG GLU 39 8.705 0.334 14.621 297 H SER 40 H SER 40 8.622 5.095 11.989 298 HA SER 40 HA SER 40 5.947 4.830 11.704 299 1HB SER 40 2HB SER 40 6.835 7.006 11.508 300 2HB SER 40 1HB SER 40 7.880 6.550 10.162 301 HG SER 40 HG SER 40 5.102 7.006 10.184 302 H GLN 41 H GLN 41 8.360 3.950 9.293 303 HA GLN 41 HA GLN 41 6.763 3.518 7.070 304 1HB GLN 41 2HB GLN 41 8.459 1.775 6.451 305 2HB GLN 41 1HB GLN 41 9.102 3.368 6.819 306 1HG GLN 41 2HG GLN 41 10.574 2.132 7.994 307 2HG GLN 41 1HG GLN 41 9.329 2.281 9.232 308 1HE2 GLN 41 1HE2 GLN 41 10.375 0.350 10.062 309 2HE2 GLN 41 2HE2 GLN 41 9.894 -1.192 9.451 310 H LEU 42 H LEU 42 7.614 1.201 9.617 311 HA LEU 42 HA LEU 42 6.201 -0.982 8.613 312 1HB LEU 42 2HB LEU 42 7.863 -1.089 10.438 313 2HB LEU 42 1HB LEU 42 6.720 -0.297 11.507 314 HG LEU 42 HG LEU 42 5.203 -2.374 10.773 315 1HD1 LEU 42 1HD1 LEU 42 7.758 -3.833 11.003 316 2HD1 LEU 42 2HD1 LEU 42 7.429 -3.066 9.449 317 3HD1 LEU 42 3HD1 LEU 42 6.292 -4.239 10.112 318 1HD2 LEU 42 1HD2 LEU 42 5.426 -3.012 12.920 319 2HD2 LEU 42 2HD2 LEU 42 6.389 -1.540 13.051 320 3HD2 LEU 42 3HD2 LEU 42 7.185 -3.098 12.824 321 H ALA 43 H ALA 43 5.163 1.522 10.899 322 HA ALA 43 HA ALA 43 2.548 0.446 11.230 323 1HB ALA 43 1HB ALA 43 2.297 2.028 12.796 324 2HB ALA 43 2HB ALA 43 2.892 3.311 11.743 325 3HB ALA 43 3HB ALA 43 4.032 2.262 12.585 326 H GLN 44 H GLN 44 3.992 2.784 9.041 327 HA GLN 44 HA GLN 44 1.597 3.914 8.065 328 1HB GLN 44 2HB GLN 44 4.096 4.621 7.718 329 2HB GLN 44 1HB GLN 44 4.007 3.561 6.318 330 1HG GLN 44 2HG GLN 44 3.285 5.354 5.221 331 2HG GLN 44 1HG GLN 44 1.749 5.074 6.040 332 1HE2 GLN 44 1HE2 GLN 44 4.897 6.539 6.792 333 2HE2 GLN 44 2HE2 GLN 44 4.249 7.966 7.519 334 H LEU 45 H LEU 45 3.541 1.164 6.997 335 HA LEU 45 HA LEU 45 1.774 0.521 4.825 336 1HB LEU 45 2HB LEU 45 3.880 -1.259 6.021 337 2HB LEU 45 1HB LEU 45 3.229 -1.307 4.394 338 1HD1 LEU 45 1HD1 LEU 45 5.732 -1.608 4.682 339 2HD1 LEU 45 2HD1 LEU 45 6.738 -0.182 4.942 340 3HD1 LEU 45 3HD1 LEU 45 6.097 -0.527 3.337 341 1HD2 LEU 45 1HD2 LEU 45 3.192 1.375 3.651 342 2HD2 LEU 45 2HD2 LEU 45 4.288 0.452 2.624 343 3HD2 LEU 45 3HD2 LEU 45 4.852 1.924 3.415 344 H LYS 46 H LYS 46 2.245 -0.516 8.131 345 HA LYS 46 HA LYS 46 0.590 -2.828 7.984 346 1HB LYS 46 2HB LYS 46 1.821 -1.225 10.180 347 2HB LYS 46 1HB LYS 46 0.524 -2.339 10.585 348 1HG LYS 46 2HG LYS 46 1.945 -4.056 9.238 349 2HG LYS 46 1HG LYS 46 3.258 -2.917 9.546 350 1HD LYS 46 2HD LYS 46 2.968 -3.115 11.911 351 2HD LYS 46 1HD LYS 46 1.485 -4.048 11.705 352 1HE LYS 46 2HE LYS 46 2.630 -5.945 10.999 353 2HE LYS 46 1HE LYS 46 4.072 -5.030 10.562 354 1HZ LYS 46 1HZ LYS 46 4.149 -4.536 13.087 355 2HZ LYS 46 2HZ LYS 46 4.703 -6.028 12.515 356 3HZ LYS 46 3HZ LYS 46 3.170 -5.911 13.218 357 H ALA 47 H ALA 47 -0.038 0.548 8.314 358 HA ALA 47 HA ALA 47 -2.372 0.717 9.721 359 1HB ALA 47 1HB ALA 47 -1.720 2.169 7.161 360 2HB ALA 47 2HB ALA 47 -1.240 2.656 8.787 361 3HB ALA 47 3HB ALA 47 -2.945 2.653 8.335 362 H ASP 48 H ASP 48 -2.272 0.304 6.173 363 HA ASP 48 HA ASP 48 -5.007 -0.715 6.257 364 1HB ASP 48 2HB ASP 48 -3.908 1.035 4.552 365 2HB ASP 48 1HB ASP 48 -3.551 -0.453 3.679 366 HA PRO 49 HA PRO 49 -3.328 -4.850 5.911 367 1HB PRO 49 2HB PRO 49 -5.634 -6.197 6.094 368 2HB PRO 49 1HB PRO 49 -4.944 -5.359 7.490 369 1HG PRO 49 2HG PRO 49 -7.155 -4.497 5.667 370 2HG PRO 49 1HG PRO 49 -7.050 -4.378 7.432 371 1HD PRO 49 2HD PRO 49 -6.517 -2.300 5.718 372 2HD PRO 49 1HD PRO 49 -5.833 -2.442 7.348 373 H ARG 50 H ARG 50 -3.194 -3.651 3.518 374 HA ARG 50 HA ARG 50 -4.731 -5.369 1.687 375 1HB ARG 50 2HB ARG 50 -4.114 -2.545 1.653 376 2HB ARG 50 1HB ARG 50 -3.529 -3.324 0.190 377 1HG ARG 50 2HG ARG 50 -5.630 -3.864 -0.532 378 2HG ARG 50 1HG ARG 50 -6.298 -3.911 1.101 379 1HD ARG 50 2HD ARG 50 -6.710 -1.682 1.143 380 2HD ARG 50 1HD ARG 50 -5.298 -1.294 0.159 381 HE ARG 50 HE ARG 50 -6.623 -1.380 -1.702 382 1HH1 ARG 50 1HH1 ARG 50 -8.280 -2.977 0.921 383 2HH1 ARG 50 2HH1 ARG 50 -9.756 -3.170 0.036 384 1HH2 ARG 50 1HH2 ARG 50 -8.563 -1.634 -2.867 385 2HH2 ARG 50 2HH2 ARG 50 -9.917 -2.409 -2.115 386 H LEU 51 H LEU 51 -1.527 -4.076 2.408 387 HA LEU 51 HA LEU 51 -0.375 -6.069 0.568 388 1HB LEU 51 2HB LEU 51 1.282 -3.839 1.635 389 2HB LEU 51 1HB LEU 51 1.385 -4.671 0.097 390 HG LEU 51 HG LEU 51 0.714 -2.468 -0.403 391 1HD1 LEU 51 1HD1 LEU 51 -1.898 -2.926 -0.880 392 2HD1 LEU 51 2HD1 LEU 51 -1.323 -4.574 -0.643 393 3HD1 LEU 51 3HD1 LEU 51 -0.586 -3.553 -1.875 394 1HD2 LEU 51 1HD2 LEU 51 -1.759 -2.287 1.099 395 2HD2 LEU 51 2HD2 LEU 51 -0.428 -1.137 0.965 396 3HD2 LEU 51 3HD2 LEU 51 -0.351 -2.441 2.149 397 H VAL 52 H VAL 52 2.158 -6.303 1.457 398 HA VAL 52 HA VAL 52 1.832 -7.252 4.228 399 HB VAL 52 HB VAL 52 3.294 -9.110 3.750 400 1HG1 VAL 52 1HG1 VAL 52 0.907 -9.370 3.272 401 2HG1 VAL 52 2HG1 VAL 52 1.897 -10.354 2.195 402 3HG1 VAL 52 3HG1 VAL 52 1.187 -8.850 1.611 403 1HG2 VAL 52 1HG2 VAL 52 4.880 -8.595 2.206 404 2HG2 VAL 52 2HG2 VAL 52 3.774 -7.630 1.228 405 3HG2 VAL 52 3HG2 VAL 52 3.733 -9.390 1.127 406 H VAL 53 H VAL 53 2.894 -5.842 5.498 407 HA VAL 53 HA VAL 53 5.497 -4.838 4.592 408 HB VAL 53 HB VAL 53 4.106 -3.066 5.271 409 1HG1 VAL 53 1HG1 VAL 53 3.101 -2.947 7.553 410 2HG1 VAL 53 2HG1 VAL 53 3.560 -4.635 7.780 411 3HG1 VAL 53 3HG1 VAL 53 2.412 -4.197 6.516 412 1HG2 VAL 53 1HG2 VAL 53 5.314 -2.046 7.112 413 2HG2 VAL 53 2HG2 VAL 53 6.424 -2.888 6.028 414 3HG2 VAL 53 3HG2 VAL 53 5.972 -3.620 7.568 415 H GLN 54 H GLN 54 7.073 -6.162 5.085 416 HA GLN 54 HA GLN 54 7.263 -7.165 7.850 417 1HB GLN 54 2HB GLN 54 6.867 -8.760 5.641 418 2HB GLN 54 1HB GLN 54 8.612 -8.820 5.845 419 1HG GLN 54 2HG GLN 54 8.383 -9.631 8.086 420 2HG GLN 54 1HG GLN 54 6.636 -9.409 8.033 421 1HE2 GLN 54 1HE2 GLN 54 5.857 -10.479 5.743 422 2HE2 GLN 54 2HE2 GLN 54 6.269 -12.153 5.648 423 H ILE 55 H ILE 55 9.081 -6.645 8.877 424 HA ILE 55 HA ILE 55 11.174 -5.259 7.415 425 HB ILE 55 HB ILE 55 11.968 -4.439 9.454 426 1HG1 ILE 55 2HG1 ILE 55 12.152 -6.572 10.659 427 2HG1 ILE 55 1HG1 ILE 55 11.391 -5.339 11.656 428 1HG2 ILE 55 1HG2 ILE 55 9.009 -4.643 9.327 429 2HG2 ILE 55 2HG2 ILE 55 10.055 -3.229 9.215 430 3HG2 ILE 55 3HG2 ILE 55 9.737 -3.967 10.783 431 1HD1 ILE 55 1HD1 ILE 55 9.180 -6.325 11.008 432 2HD1 ILE 55 2HD1 ILE 55 10.210 -7.353 12.005 433 3HD1 ILE 55 3HD1 ILE 55 10.076 -7.655 10.273 434 H THR 56 H THR 56 13.102 -6.049 6.911 435 HA THR 56 HA THR 56 13.913 -8.623 8.089 436 HB THR 56 HB THR 56 14.790 -9.337 5.994 437 HG1 THR 56 1HG THR 56 14.233 -6.717 5.067 438 1HG2 THR 56 1HG2 THR 56 12.813 -9.914 5.205 439 2HG2 THR 56 2HG2 THR 56 12.576 -8.290 4.559 440 3HG2 THR 56 3HG2 THR 56 12.059 -8.670 6.202 441 H GLU 57 H GLU 57 15.461 -8.076 9.503 442 HA GLU 57 HA GLU 57 17.505 -6.138 8.667 443 1HB GLU 57 2HB GLU 57 18.064 -6.508 11.278 444 2HB GLU 57 1HB GLU 57 16.944 -5.291 10.688 445 1HG GLU 57 2HG GLU 57 15.971 -8.025 11.403 446 2HG GLU 57 1HG GLU 57 16.250 -6.813 12.651 447 H THR 58 H THR 58 17.343 -9.131 10.615 448 HA THR 58 HA THR 58 19.850 -9.980 9.329 449 HB THR 58 HB THR 58 20.552 -9.321 11.484 450 HG1 THR 58 1HG THR 58 21.336 -11.359 11.030 451 1HG2 THR 58 1HG2 THR 58 19.507 -9.928 13.554 452 2HG2 THR 58 2HG2 THR 58 18.280 -10.867 12.703 453 3HG2 THR 58 3HG2 THR 58 18.328 -9.113 12.527 454 H GLY 59 H GLY 59 16.999 -11.027 11.175 455 1HA GLY 59 2HA GLY 59 16.223 -13.034 9.424 456 2HA GLY 59 1HA GLY 59 17.308 -13.789 10.581 457 H SER 60 H SER 60 14.763 -14.691 10.436 458 HA SER 60 HA SER 60 13.345 -13.439 12.683 459 1HB SER 60 2HB SER 60 11.465 -15.026 11.881 460 2HB SER 60 1HB SER 60 11.847 -13.622 10.884 461 HG SER 60 HG SER 60 11.705 -15.958 9.976 462 H GLN 61 H GLN 61 12.789 -14.586 14.503 463 HA GLN 61 HA GLN 61 13.723 -17.363 14.692 464 1HB GLN 61 2HB GLN 61 15.117 -15.271 15.809 465 2HB GLN 61 1HB GLN 61 14.111 -15.807 17.147 466 1HG GLN 61 2HG GLN 61 16.133 -16.987 17.333 467 2HG GLN 61 1HG GLN 61 14.957 -18.136 16.698 468 1HE2 GLN 61 1HE2 GLN 61 17.234 -15.708 15.455 469 2HE2 GLN 61 2HE2 GLN 61 17.863 -16.699 14.188 470 H GLU 62 H GLU 62 12.983 -18.263 16.951 471 HA GLU 62 HA GLU 62 11.237 -18.952 18.234 472 1HB GLU 62 2HB GLU 62 11.139 -16.058 18.247 473 2HB GLU 62 1HB GLU 62 9.528 -16.741 18.417 474 1HG GLU 62 2HG GLU 62 10.468 -16.375 20.588 475 2HG GLU 62 1HG GLU 62 10.338 -18.109 20.298 476 H GLY 63 H GLY 63 11.080 -19.142 15.313 477 1HA GLY 63 2HA GLY 63 8.230 -18.800 14.766 478 2HA GLY 63 1HA GLY 63 9.465 -19.239 13.597 479 H GLY 64 H GLY 64 10.488 -21.300 15.573 480 1HA GLY 64 2HA GLY 64 8.487 -23.196 16.102 481 2HA GLY 64 1HA GLY 64 9.142 -23.524 14.504 482 H GLU 65 H GLU 65 11.828 -22.680 15.112 483 HA GLU 65 HA GLU 65 12.691 -25.077 16.523 484 1HB GLU 65 2HB GLU 65 14.973 -24.351 15.706 485 2HB GLU 65 1HB GLU 65 13.804 -24.747 14.454 486 1HG GLU 65 2HG GLU 65 13.438 -22.461 13.950 487 2HG GLU 65 1HG GLU 65 14.331 -21.938 15.378 488 H GLY 66 H GLY 66 11.562 -23.458 18.331 489 1HA GLY 66 2HA GLY 66 13.752 -22.886 20.097 490 2HA GLY 66 1HA GLY 66 12.933 -21.433 19.547 491 H LEU 67 H LEU 67 12.554 -24.439 21.326 492 HA LEU 67 HA LEU 67 10.790 -23.236 23.200 493 1HB LEU 67 2HB LEU 67 8.827 -24.675 22.768 494 2HB LEU 67 1HB LEU 67 9.131 -23.516 21.487 495 HG LEU 67 HG LEU 67 10.322 -26.200 21.115 496 1HD1 LEU 67 1HD1 LEU 67 8.394 -27.371 20.714 497 2HD1 LEU 67 2HD1 LEU 67 7.432 -25.915 20.458 498 3HD1 LEU 67 3HD1 LEU 67 7.898 -26.389 22.092 499 1HD2 LEU 67 1HD2 LEU 67 9.044 -25.582 18.839 500 2HD2 LEU 67 2HD2 LEU 67 10.661 -24.997 19.232 501 3HD2 LEU 67 3HD2 LEU 67 9.259 -23.964 19.507 502 H SER 68 H SER 68 9.666 -25.220 24.496 503 HA SER 68 HA SER 68 11.513 -27.463 24.710 504 1HB SER 68 2HB SER 68 10.884 -25.698 27.088 505 2HB SER 68 1HB SER 68 11.894 -27.143 27.093 506 HG SER 68 HG SER 68 12.411 -24.748 25.656 507 H LYS 69 H LYS 69 8.655 -25.879 26.111 508 HA LYS 69 HA LYS 69 7.504 -28.520 26.660 509 1HB LYS 69 2HB LYS 69 7.572 -26.850 28.502 510 2HB LYS 69 1HB LYS 69 6.533 -25.798 27.549 511 1HG LYS 69 2HG LYS 69 4.785 -26.783 28.478 512 2HG LYS 69 1HG LYS 69 5.223 -28.266 27.630 513 1HD LYS 69 2HD LYS 69 5.005 -28.760 29.970 514 2HD LYS 69 1HD LYS 69 6.713 -28.844 29.538 515 1HE LYS 69 2HE LYS 69 7.241 -27.218 30.967 516 2HE LYS 69 1HE LYS 69 5.951 -26.178 30.368 517 1HZ LYS 69 1HZ LYS 69 5.223 -26.511 32.475 518 2HZ LYS 69 2HZ LYS 69 5.949 -28.031 32.626 519 3HZ LYS 69 3HZ LYS 69 4.505 -27.866 31.761 520 H GLU 70 H GLU 70 5.870 -29.312 25.495 521 HA GLU 70 HA GLU 70 4.067 -27.576 24.050 522 1HB GLU 70 2HB GLU 70 6.325 -28.803 22.737 523 2HB GLU 70 1HB GLU 70 4.822 -29.431 22.073 524 1HG GLU 70 2HG GLU 70 4.171 -26.887 22.007 525 2HG GLU 70 1HG GLU 70 5.920 -26.670 22.011 526 HA PRO 71 HA PRO 71 1.253 -30.877 24.820 527 1HB PRO 71 2HB PRO 71 -0.454 -30.690 22.723 528 2HB PRO 71 1HB PRO 71 -0.416 -29.504 24.033 529 1HG PRO 71 2HG PRO 71 0.817 -29.356 21.309 530 2HG PRO 71 1HG PRO 71 -0.064 -28.106 22.208 531 1HD PRO 71 2HD PRO 71 2.641 -28.173 22.068 532 2HD PRO 71 1HD PRO 71 1.772 -27.555 23.487 533 H ALA 72 H ALA 72 -0.085 -32.582 23.255 534 HA ALA 72 HA ALA 72 2.052 -34.203 22.093 535 1HB ALA 72 1HB ALA 72 -0.677 -35.309 22.338 536 2HB ALA 72 2HB ALA 72 0.152 -34.911 23.844 537 3HB ALA 72 3HB ALA 72 0.885 -36.042 22.705 538 H GLY 73 H GLY 73 2.190 -32.918 20.143 539 1HA GLY 73 2HA GLY 73 -0.110 -33.211 18.328 540 2HA GLY 73 1HA GLY 73 1.198 -32.055 18.133 541 H SER 74 H SER 74 -0.020 -35.053 17.205 542 HA SER 74 HA SER 74 2.439 -35.605 15.707 543 1HB SER 74 2HB SER 74 1.636 -38.136 16.159 544 2HB SER 74 1HB SER 74 2.791 -37.299 17.197 545 HG SER 74 HG SER 74 -0.014 -37.445 17.616 546 H ASP 75 H ASP 75 2.057 -35.886 13.610 547 HA ASP 75 HA ASP 75 0.978 -36.187 11.632 548 1HB ASP 75 2HB ASP 75 -0.867 -37.959 13.248 549 2HB ASP 75 1HB ASP 75 -0.687 -37.968 11.497 550 H GLU 76 H GLU 76 0.210 -33.987 13.359 551 HA GLU 76 HA GLU 76 -2.497 -33.523 12.300 552 1HB GLU 76 2HB GLU 76 -2.065 -33.865 14.931 553 2HB GLU 76 1HB GLU 76 -1.731 -32.143 14.811 554 1HG GLU 76 2HG GLU 76 -4.091 -32.528 13.378 555 2HG GLU 76 1HG GLU 76 -4.251 -33.530 14.821 556 H GLN 77 H GLN 77 -1.551 -32.443 10.520 557 HA GLN 77 HA GLN 77 0.050 -30.073 11.045 558 1HB GLN 77 2HB GLN 77 -0.305 -31.872 8.838 559 2HB GLN 77 1HB GLN 77 -0.619 -30.228 8.300 560 1HG GLN 77 2HG GLN 77 1.687 -30.730 7.941 561 2HG GLN 77 1HG GLN 77 1.564 -29.549 9.245 562 1HE2 GLN 77 1HE2 GLN 77 1.267 -33.082 9.095 563 2HE2 GLN 77 2HE2 GLN 77 2.443 -33.405 10.320 564 H LYS 78 H LYS 78 -3.075 -30.575 11.401 565 HA LYS 78 HA LYS 78 -4.938 -29.280 11.397 566 1HB LYS 78 2HB LYS 78 -2.802 -27.194 11.057 567 2HB LYS 78 1HB LYS 78 -4.504 -26.752 11.069 568 1HG LYS 78 2HG LYS 78 -4.556 -28.105 13.292 569 2HG LYS 78 1HG LYS 78 -2.812 -27.835 13.273 570 1HD LYS 78 2HD LYS 78 -3.059 -25.719 13.927 571 2HD LYS 78 1HD LYS 78 -4.244 -25.403 12.658 572 1HE LYS 78 2HE LYS 78 -5.933 -25.500 14.107 573 2HE LYS 78 1HE LYS 78 -5.368 -27.038 14.760 574 1HZ LYS 78 1HZ LYS 78 -3.965 -25.925 16.280 575 2HZ LYS 78 2HZ LYS 78 -5.467 -25.155 16.378 576 3HZ LYS 78 3HZ LYS 78 -4.198 -24.426 15.531 577 H GLN 79 H GLN 79 -3.186 -27.339 9.004 578 HA GLN 79 HA GLN 79 -5.199 -28.152 7.010 579 1HB GLN 79 2HB GLN 79 -4.152 -25.527 7.803 580 2HB GLN 79 1HB GLN 79 -4.171 -25.787 6.065 581 1HG GLN 79 2HG GLN 79 -6.273 -25.060 6.181 582 2HG GLN 79 1HG GLN 79 -6.639 -26.679 6.775 583 1HE2 GLN 79 1HE2 GLN 79 -6.770 -23.392 7.424 584 2HE2 GLN 79 2HE2 GLN 79 -7.207 -23.475 9.093 585 H LEU 80 H LEU 80 -4.537 -28.795 5.015 586 HA LEU 80 HA LEU 80 -1.633 -28.830 4.517 587 1HB LEU 80 2HB LEU 80 -3.116 -31.041 5.034 588 2HB LEU 80 1HB LEU 80 -3.260 -30.962 3.289 589 HG LEU 80 HG LEU 80 -0.635 -30.704 3.410 590 1HD1 LEU 80 1HD1 LEU 80 -1.340 -32.078 5.995 591 2HD1 LEU 80 2HD1 LEU 80 -0.402 -30.600 5.786 592 3HD1 LEU 80 3HD1 LEU 80 0.253 -32.143 5.239 593 1HD2 LEU 80 1HD2 LEU 80 -0.698 -33.372 3.635 594 2HD2 LEU 80 2HD2 LEU 80 -1.242 -32.514 2.194 595 3HD2 LEU 80 3HD2 LEU 80 -2.416 -33.061 3.391 596 H ARG 81 H ARG 81 -4.832 -29.038 2.980 597 HA ARG 81 HA ARG 81 -4.027 -27.172 0.941 598 1HB ARG 81 2HB ARG 81 -3.200 -29.467 0.182 599 2HB ARG 81 1HB ARG 81 -4.894 -29.903 0.008 600 1HG ARG 81 2HG ARG 81 -5.223 -28.446 -1.759 601 2HG ARG 81 1HG ARG 81 -3.822 -27.460 -1.338 602 1HD ARG 81 2HD ARG 81 -3.032 -28.613 -3.166 603 2HD ARG 81 1HD ARG 81 -2.489 -29.643 -1.842 604 HE ARG 81 HE ARG 81 -4.931 -30.647 -2.517 605 1HH1 ARG 81 1HH1 ARG 81 -1.984 -30.001 -4.271 606 2HH1 ARG 81 2HH1 ARG 81 -2.234 -31.281 -5.409 607 1HH2 ARG 81 1HH2 ARG 81 -5.262 -32.331 -4.014 608 2HH2 ARG 81 2HH2 ARG 81 -4.094 -32.604 -5.264 609 H ALA 82 H ALA 82 -5.767 -26.251 -0.140 610 HA ALA 82 HA ALA 82 -8.383 -26.865 1.038 611 1HB ALA 82 1HB ALA 82 -7.097 -24.407 0.017 612 2HB ALA 82 2HB ALA 82 -8.179 -24.637 1.389 613 3HB ALA 82 3HB ALA 82 -8.834 -24.561 -0.247 614 H ASP 83 H ASP 83 -9.931 -27.794 -0.129 615 HA ASP 83 HA ASP 83 -10.329 -27.303 -2.896 616 1HB ASP 83 2HB ASP 83 -8.463 -29.350 -2.284 617 2HB ASP 83 1HB ASP 83 -9.926 -30.141 -2.862 618 HA PRO 84 HA PRO 84 -13.336 -30.981 -1.430 619 1HB PRO 84 2HB PRO 84 -13.160 -30.872 1.429 620 2HB PRO 84 1HB PRO 84 -12.822 -32.238 0.367 621 1HG PRO 84 2HG PRO 84 -10.958 -30.339 1.627 622 2HG PRO 84 1HG PRO 84 -10.661 -31.976 1.024 623 1HD PRO 84 2HD PRO 84 -9.733 -29.770 -0.233 624 2HD PRO 84 1HD PRO 84 -10.203 -31.240 -1.111 625 HA PRO 85 HA PRO 85 -15.632 -27.806 1.374 626 1HB PRO 85 2HB PRO 85 -14.222 -25.743 2.432 627 2HB PRO 85 1HB PRO 85 -14.406 -27.297 3.253 628 1HG PRO 85 2HG PRO 85 -12.111 -26.278 1.621 629 2HG PRO 85 1HG PRO 85 -12.085 -27.144 3.168 630 1HD PRO 85 2HD PRO 85 -11.610 -28.380 0.812 631 2HD PRO 85 1HD PRO 85 -12.413 -29.197 2.167 632 H SER 86 H SER 86 -16.787 -26.126 0.529 633 HA SER 86 HA SER 86 -15.663 -23.952 -0.890 634 1HB SER 86 2HB SER 86 -16.968 -24.811 -3.088 635 2HB SER 86 1HB SER 86 -15.249 -25.098 -2.818 636 HG SER 86 HG SER 86 -17.396 -26.863 -2.692 637 H THR 87 H THR 87 -18.588 -25.936 -1.375 638 HA THR 87 HA THR 87 -20.297 -23.655 -1.370 639 HB THR 87 HB THR 87 -22.106 -25.497 -1.188 640 HG1 THR 87 1HG THR 87 -21.286 -27.566 -1.755 641 1HG2 THR 87 1HG2 THR 87 -21.265 -24.402 -3.322 642 2HG2 THR 87 2HG2 THR 87 -22.037 -25.981 -3.467 643 3HG2 THR 87 3HG2 THR 87 -20.280 -25.849 -3.533 644 H ASP 88 H ASP 88 -22.421 -24.022 0.109 645 HA ASP 88 HA ASP 88 -23.341 -23.861 2.182 646 1HB ASP 88 2HB ASP 88 -21.260 -25.885 2.506 647 2HB ASP 88 1HB ASP 88 -21.595 -25.012 3.997 648 H LEU 89 H LEU 89 -19.861 -23.741 2.947 649 HA LEU 89 HA LEU 89 -20.123 -21.585 4.737 650 1HB LEU 89 2HB LEU 89 -17.960 -23.177 3.607 651 2HB LEU 89 1HB LEU 89 -17.492 -21.511 3.881 652 HG LEU 89 HG LEU 89 -16.916 -22.887 5.799 653 1HD1 LEU 89 1HD1 LEU 89 -18.515 -21.662 7.500 654 2HD1 LEU 89 2HD1 LEU 89 -18.978 -20.761 6.057 655 3HD1 LEU 89 3HD1 LEU 89 -17.295 -20.778 6.584 656 1HD2 LEU 89 1HD2 LEU 89 -18.851 -23.782 7.188 657 2HD2 LEU 89 2HD2 LEU 89 -18.434 -24.674 5.725 658 3HD2 LEU 89 3HD2 LEU 89 -19.832 -23.600 5.735 659 H ASN 90 H ASN 90 -20.090 -21.652 1.329 660 HA ASN 90 HA ASN 90 -18.800 -19.363 0.550 661 1HB ASN 90 2HB ASN 90 -19.946 -20.971 -0.970 662 2HB ASN 90 1HB ASN 90 -21.490 -20.269 -0.494 663 1HD2 ASN 90 1HD2 ASN 90 -18.321 -18.940 -1.385 664 2HD2 ASN 90 2HD2 ASN 90 -18.921 -17.878 -2.607 665 H THR 91 H THR 91 -22.166 -19.587 1.714 666 HA THR 91 HA THR 91 -22.740 -16.845 1.523 667 HB THR 91 HB THR 91 -24.166 -18.038 3.719 668 HG1 THR 91 1HG THR 91 -24.143 -19.588 1.349 669 1HG2 THR 91 1HG2 THR 91 -24.853 -17.143 0.955 670 2HG2 THR 91 2HG2 THR 91 -25.352 -16.470 2.508 671 3HG2 THR 91 3HG2 THR 91 -26.030 -18.000 1.951 672 H PHE 92 H PHE 92 -20.576 -18.369 3.640 673 HA PHE 92 HA PHE 92 -20.874 -16.270 5.667 674 1HB PHE 92 2HB PHE 92 -19.255 -18.820 5.803 675 2HB PHE 92 1HB PHE 92 -19.541 -17.697 7.121 676 HD1 PHE 92 1HD PHE 92 -21.484 -19.738 4.674 677 HD2 PHE 92 2HD PHE 92 -21.174 -18.231 8.642 678 HE1 PHE 92 1HE PHE 92 -23.496 -21.002 5.307 679 HE2 PHE 92 2HE PHE 92 -23.186 -19.493 9.282 680 HZ PHE 92 HZ PHE 92 -24.350 -20.881 7.614 681 H THR 93 H THR 93 -19.430 -14.664 5.770 682 HA THR 93 HA THR 93 -16.913 -14.986 4.278 683 HB THR 93 HB THR 93 -17.872 -13.309 3.063 684 HG1 THR 93 1HG THR 93 -16.146 -12.211 3.760 685 1HG2 THR 93 1HG2 THR 93 -19.454 -12.712 5.498 686 2HG2 THR 93 2HG2 THR 93 -19.975 -12.929 3.828 687 3HG2 THR 93 3HG2 THR 93 -19.201 -11.424 4.322 688 H VAL 94 H VAL 94 -17.766 -12.330 6.433 689 HA VAL 94 HA VAL 94 -16.090 -13.353 8.559 690 HB VAL 94 HB VAL 94 -14.968 -10.884 8.438 691 1HG1 VAL 94 1HG1 VAL 94 -12.949 -11.983 7.726 692 2HG1 VAL 94 2HG1 VAL 94 -13.874 -13.316 7.036 693 3HG1 VAL 94 3HG1 VAL 94 -13.855 -13.067 8.782 694 1HG2 VAL 94 1HG2 VAL 94 -14.301 -10.338 6.212 695 2HG2 VAL 94 2HG2 VAL 94 -16.057 -10.496 6.213 696 3HG2 VAL 94 3HG2 VAL 94 -15.057 -11.796 5.567 697 H GLU 95 H GLU 95 -18.079 -10.748 7.285 698 HA GLU 95 HA GLU 95 -18.553 -9.642 9.916 699 1HB GLU 95 2HB GLU 95 -19.981 -8.037 8.776 700 2HB GLU 95 1HB GLU 95 -18.445 -8.175 7.932 701 1HG GLU 95 2HG GLU 95 -20.029 -10.043 6.674 702 2HG GLU 95 1HG GLU 95 -21.139 -8.714 7.003 703 H GLN 96 H GLN 96 -19.907 -12.066 7.915 704 HA GLN 96 HA GLN 96 -22.576 -11.920 8.922 705 1HB GLN 96 2HB GLN 96 -21.452 -13.029 6.710 706 2HB GLN 96 1HB GLN 96 -21.663 -14.454 7.717 707 1HG GLN 96 2HG GLN 96 -24.000 -12.696 7.610 708 2HG GLN 96 1HG GLN 96 -23.548 -13.410 6.063 709 1HE2 GLN 96 1HE2 GLN 96 -25.908 -13.921 7.621 710 2HE2 GLN 96 2HE2 GLN 96 -25.897 -15.603 8.014 711 H LEU 97 H LEU 97 -19.787 -14.003 9.574 712 HA LEU 97 HA LEU 97 -21.212 -15.688 11.331 713 1HB LEU 97 2HB LEU 97 -18.637 -15.842 12.278 714 2HB LEU 97 1HB LEU 97 -19.365 -16.863 11.074 715 HG LEU 97 HG LEU 97 -17.160 -16.123 10.415 716 1HD1 LEU 97 1HD1 LEU 97 -19.535 -15.836 8.864 717 2HD1 LEU 97 2HD1 LEU 97 -17.922 -16.336 8.354 718 3HD1 LEU 97 3HD1 LEU 97 -18.353 -14.628 8.359 719 1HD2 LEU 97 1HD2 LEU 97 -16.590 -13.880 10.067 720 2HD2 LEU 97 2HD2 LEU 97 -17.337 -13.961 11.658 721 3HD2 LEU 97 3HD2 LEU 97 -18.255 -13.351 10.284 722 H LYS 98 H LYS 98 -18.958 -13.004 12.055 723 HA LYS 98 HA LYS 98 -19.324 -12.954 14.803 724 1HB LYS 98 2HB LYS 98 -19.039 -10.359 14.481 725 2HB LYS 98 1HB LYS 98 -17.702 -11.458 14.204 726 1HG LYS 98 2HG LYS 98 -18.774 -11.335 11.720 727 2HG LYS 98 1HG LYS 98 -19.164 -9.732 12.337 728 1HD LYS 98 2HD LYS 98 -16.984 -9.790 11.184 729 2HD LYS 98 1HD LYS 98 -16.841 -9.329 12.881 730 1HE LYS 98 2HE LYS 98 -15.792 -11.280 13.467 731 2HE LYS 98 1HE LYS 98 -16.564 -12.213 12.183 732 1HZ LYS 98 1HZ LYS 98 -14.227 -11.930 11.728 733 2HZ LYS 98 2HZ LYS 98 -14.358 -10.248 11.844 734 3HZ LYS 98 3HZ LYS 98 -15.127 -11.069 10.581 735 H ALA 99 H ALA 99 -21.494 -11.811 12.290 736 HA ALA 99 HA ALA 99 -23.232 -10.535 14.218 737 1HB ALA 99 1HB ALA 99 -24.118 -11.029 11.431 738 2HB ALA 99 2HB ALA 99 -22.794 -9.896 11.700 739 3HB ALA 99 3HB ALA 99 -24.362 -9.616 12.457 740 H GLN 100 H GLN 100 -22.926 -13.559 12.687 741 HA GLN 100 HA GLN 100 -25.627 -14.398 13.322 742 1HB GLN 100 2HB GLN 100 -23.311 -15.629 11.887 743 2HB GLN 100 1HB GLN 100 -24.577 -16.676 12.513 744 1HG GLN 100 2HG GLN 100 -25.920 -14.622 11.193 745 2HG GLN 100 1HG GLN 100 -24.555 -15.033 10.155 746 1HE2 GLN 100 1HE2 GLN 100 -24.269 -17.356 9.687 747 2HE2 GLN 100 2HE2 GLN 100 -25.684 -18.323 9.475 748 H LEU 101 H LEU 101 -22.324 -15.109 14.379 749 HA LEU 101 HA LEU 101 -22.845 -17.136 16.191 750 1HB LEU 101 2HB LEU 101 -20.730 -15.056 15.929 751 2HB LEU 101 1HB LEU 101 -20.826 -15.915 17.453 752 HG LEU 101 HG LEU 101 -20.236 -17.038 14.726 753 1HD1 LEU 101 1HD1 LEU 101 -18.146 -17.552 15.546 754 2HD1 LEU 101 2HD1 LEU 101 -18.678 -17.503 17.226 755 3HD1 LEU 101 3HD1 LEU 101 -18.481 -16.002 16.319 756 1HD2 LEU 101 1HD2 LEU 101 -20.034 -19.162 16.431 757 2HD2 LEU 101 2HD2 LEU 101 -21.379 -18.866 15.329 758 3HD2 LEU 101 3HD2 LEU 101 -21.490 -18.355 17.014 759 H THR 102 H THR 102 -22.846 -13.629 16.693 760 HA THR 102 HA THR 102 -23.511 -13.736 19.442 761 HB THR 102 HB THR 102 -24.495 -11.322 18.629 762 HG1 THR 102 1HG THR 102 -23.958 -11.771 16.453 763 1HG2 THR 102 1HG2 THR 102 -22.119 -10.473 18.947 764 2HG2 THR 102 2HG2 THR 102 -21.702 -12.155 19.282 765 3HG2 THR 102 3HG2 THR 102 -22.883 -11.320 20.293 766 H GLU 103 H GLU 103 -25.385 -13.542 16.473 767 HA GLU 103 HA GLU 103 -27.876 -13.145 17.711 768 1HB GLU 103 2HB GLU 103 -26.900 -13.656 15.030 769 2HB GLU 103 1HB GLU 103 -28.409 -14.504 15.337 770 1HG GLU 103 2HG GLU 103 -28.616 -11.833 16.321 771 2HG GLU 103 1HG GLU 103 -28.034 -11.802 14.658 772 H ARG 104 H ARG 104 -25.888 -15.858 17.564 773 HA ARG 104 HA ARG 104 -28.136 -17.649 18.194 774 1HB ARG 104 2HB ARG 104 -26.624 -19.509 17.665 775 2HB ARG 104 1HB ARG 104 -26.791 -18.405 16.308 776 1HG ARG 104 2HG ARG 104 -24.645 -17.436 16.765 777 2HG ARG 104 1HG ARG 104 -24.484 -18.391 18.240 778 1HD ARG 104 2HD ARG 104 -24.994 -19.900 15.755 779 2HD ARG 104 1HD ARG 104 -23.424 -19.105 15.871 780 HE ARG 104 HE ARG 104 -23.759 -20.421 18.259 781 1HH1 ARG 104 1HH1 ARG 104 -23.680 -21.322 14.889 782 2HH1 ARG 104 2HH1 ARG 104 -23.050 -22.906 15.198 783 1HH2 ARG 104 1HH2 ARG 104 -22.928 -22.502 18.668 784 2HH2 ARG 104 2HH2 ARG 104 -22.622 -23.575 17.343 785 H GLY 105 H GLY 105 -25.497 -16.001 19.566 786 1HA GLY 105 2HA GLY 105 -24.869 -15.867 21.783 787 2HA GLY 105 1HA GLY 105 -26.067 -17.097 22.156 788 H ILE 106 H ILE 106 -22.783 -16.544 21.022 789 HA ILE 106 HA ILE 106 -22.114 -19.274 21.905 790 HB ILE 106 HB ILE 106 -22.009 -19.092 19.443 791 1HG1 ILE 106 2HG1 ILE 106 -19.193 -19.316 20.471 792 2HG1 ILE 106 1HG1 ILE 106 -20.415 -20.496 20.933 793 1HG2 ILE 106 1HG2 ILE 106 -21.446 -16.752 19.221 794 2HG2 ILE 106 2HG2 ILE 106 -20.223 -17.736 18.420 795 3HG2 ILE 106 3HG2 ILE 106 -19.885 -17.026 19.995 796 1HD1 ILE 106 1HD1 ILE 106 -19.553 -21.548 19.124 797 2HD1 ILE 106 2HD1 ILE 106 -19.099 -20.044 18.324 798 3HD1 ILE 106 3HD1 ILE 106 -20.780 -20.576 18.312 799 H THR 107 H THR 107 -20.985 -15.944 21.509 800 HA THR 107 HA THR 107 -19.540 -14.694 22.750 801 HB THR 107 HB THR 107 -19.139 -17.045 24.592 802 HG1 THR 107 1HG THR 107 -21.257 -15.162 24.646 803 1HG2 THR 107 1HG2 THR 107 -19.375 -14.841 26.144 804 2HG2 THR 107 2HG2 THR 107 -18.581 -14.176 24.717 805 3HG2 THR 107 3HG2 THR 107 -17.846 -15.521 25.588 806 H PHE 108 H PHE 108 -18.070 -14.706 21.028 807 HA PHE 108 HA PHE 108 -15.819 -16.582 21.329 808 1HB PHE 108 2HB PHE 108 -15.401 -16.384 18.964 809 2HB PHE 108 1HB PHE 108 -17.099 -16.786 19.191 810 HD1 PHE 108 1HD PHE 108 -18.761 -14.800 19.187 811 HD2 PHE 108 2HD PHE 108 -14.805 -14.598 17.628 812 HE1 PHE 108 1HE PHE 108 -19.401 -12.853 17.825 813 HE2 PHE 108 2HE PHE 108 -15.438 -12.650 16.265 814 HZ PHE 108 HZ PHE 108 -17.738 -11.776 16.363 815 H LYS 109 H LYS 109 -13.937 -15.739 21.928 816 HA LYS 109 HA LYS 109 -12.856 -13.340 20.963 817 1HB LYS 109 2HB LYS 109 -14.723 -12.490 22.505 818 2HB LYS 109 1HB LYS 109 -13.724 -13.065 23.833 819 1HG LYS 109 2HG LYS 109 -11.873 -11.622 22.880 820 2HG LYS 109 1HG LYS 109 -13.109 -10.897 21.851 821 1HD LYS 109 2HD LYS 109 -13.942 -9.677 23.532 822 2HD LYS 109 1HD LYS 109 -13.904 -11.041 24.651 823 1HE LYS 109 2HE LYS 109 -11.255 -10.479 24.398 824 2HE LYS 109 1HE LYS 109 -11.966 -8.872 24.243 825 1HZ LYS 109 1HZ LYS 109 -11.413 -9.508 26.552 826 2HZ LYS 109 2HZ LYS 109 -12.562 -10.745 26.468 827 3HZ LYS 109 3HZ LYS 109 -13.048 -9.130 26.339 828 H GLN 110 H GLN 110 -12.025 -16.016 21.411 829 HA GLN 110 HA GLN 110 -9.492 -15.550 22.589 830 1HB GLN 110 2HB GLN 110 -9.644 -17.080 24.493 831 2HB GLN 110 1HB GLN 110 -10.761 -15.734 24.671 832 1HG GLN 110 2HG GLN 110 -12.615 -17.051 24.366 833 2HG GLN 110 1HG GLN 110 -11.730 -18.274 23.457 834 1HE2 GLN 110 1HE2 GLN 110 -13.512 -18.653 25.690 835 2HE2 GLN 110 2HE2 GLN 110 -12.592 -19.416 26.938 836 H SER 111 H SER 111 -10.706 -16.659 20.166 837 HA SER 111 HA SER 111 -8.916 -18.718 19.631 838 1HB SER 111 2HB SER 111 -10.398 -20.687 19.522 839 2HB SER 111 1HB SER 111 -10.266 -20.077 21.171 840 HG SER 111 HG SER 111 -12.312 -19.528 21.143 841 H ALA 112 H ALA 112 -12.364 -18.661 18.771 842 HA ALA 112 HA ALA 112 -11.869 -18.804 16.001 843 1HB ALA 112 1HB ALA 112 -13.974 -19.524 17.087 844 2HB ALA 112 2HB ALA 112 -14.237 -18.445 15.717 845 3HB ALA 112 3HB ALA 112 -14.376 -17.829 17.364 846 H THR 113 H THR 113 -10.298 -17.106 15.706 847 HA THR 113 HA THR 113 -10.919 -14.384 16.172 848 HB THR 113 HB THR 113 -8.988 -15.055 14.026 849 HG1 THR 113 1HG THR 113 -8.362 -16.699 15.251 850 1HG2 THR 113 1HG2 THR 113 -9.365 -12.813 15.321 851 2HG2 THR 113 2HG2 THR 113 -7.745 -13.344 14.865 852 3HG2 THR 113 3HG2 THR 113 -8.321 -13.586 16.515 853 H LYS 114 H LYS 114 -10.368 -15.864 12.965 854 HA LYS 114 HA LYS 114 -12.812 -14.629 12.002 855 1HB LYS 114 2HB LYS 114 -11.237 -13.885 9.951 856 2HB LYS 114 1HB LYS 114 -11.648 -12.824 11.290 857 1HG LYS 114 2HG LYS 114 -9.562 -13.175 12.339 858 2HG LYS 114 1HG LYS 114 -9.181 -14.539 11.285 859 1HD LYS 114 2HD LYS 114 -9.528 -11.697 10.334 860 2HD LYS 114 1HD LYS 114 -7.971 -12.440 10.705 861 1HE LYS 114 2HE LYS 114 -9.912 -13.152 8.525 862 2HE LYS 114 1HE LYS 114 -8.234 -12.637 8.370 863 1HZ LYS 114 1HZ LYS 114 -9.303 -15.259 9.153 864 2HZ LYS 114 2HZ LYS 114 -7.781 -14.788 9.717 865 3HZ LYS 114 3HZ LYS 114 -8.072 -14.889 8.055 866 H ALA 115 H ALA 115 -9.897 -16.287 10.811 867 HA ALA 115 HA ALA 115 -11.286 -17.614 8.730 868 1HB ALA 115 1HB ALA 115 -9.074 -17.596 8.221 869 2HB ALA 115 2HB ALA 115 -9.130 -19.170 9.014 870 3HB ALA 115 3HB ALA 115 -8.575 -17.754 9.905 871 H GLU 116 H GLU 116 -10.741 -18.299 12.082 872 HA GLU 116 HA GLU 116 -11.600 -21.060 11.844 873 1HB GLU 116 2HB GLU 116 -11.029 -19.419 14.318 874 2HB GLU 116 1HB GLU 116 -11.279 -21.158 14.268 875 1HG GLU 116 2HG GLU 116 -9.071 -19.818 12.744 876 2HG GLU 116 1HG GLU 116 -8.889 -20.326 14.424 877 H LEU 117 H LEU 117 -12.850 -17.981 12.941 878 HA LEU 117 HA LEU 117 -15.244 -18.995 14.089 879 1HB LEU 117 2HB LEU 117 -15.202 -16.915 14.883 880 2HB LEU 117 1HB LEU 117 -13.960 -16.464 13.744 881 HG LEU 117 HG LEU 117 -16.337 -16.375 12.261 882 1HD1 LEU 117 1HD1 LEU 117 -16.692 -15.530 15.096 883 2HD1 LEU 117 2HD1 LEU 117 -17.830 -16.324 14.006 884 3HD1 LEU 117 3HD1 LEU 117 -17.465 -14.613 13.809 885 1HD2 LEU 117 1HD2 LEU 117 -14.966 -14.715 11.654 886 2HD2 LEU 117 2HD2 LEU 117 -14.262 -14.568 13.267 887 3HD2 LEU 117 3HD2 LEU 117 -15.803 -13.796 12.906 888 H ILE 118 H ILE 118 -14.408 -17.747 10.910 889 HA ILE 118 HA ILE 118 -17.068 -17.849 9.917 890 HB ILE 118 HB ILE 118 -16.143 -17.423 7.753 891 1HG1 ILE 118 2HG1 ILE 118 -13.325 -17.364 8.270 892 2HG1 ILE 118 1HG1 ILE 118 -13.939 -18.957 8.684 893 1HG2 ILE 118 1HG2 ILE 118 -15.137 -15.951 10.087 894 2HG2 ILE 118 2HG2 ILE 118 -16.043 -15.382 8.687 895 3HG2 ILE 118 3HG2 ILE 118 -14.302 -15.626 8.568 896 1HD1 ILE 118 1HD1 ILE 118 -13.887 -19.490 6.547 897 2HD1 ILE 118 2HD1 ILE 118 -13.394 -17.849 6.125 898 3HD1 ILE 118 3HD1 ILE 118 -15.107 -18.257 6.230 899 H ALA 119 H ALA 119 -14.446 -20.136 10.156 900 HA ALA 119 HA ALA 119 -15.731 -22.071 8.420 901 1HB ALA 119 1HB ALA 119 -13.138 -21.617 8.968 902 2HB ALA 119 2HB ALA 119 -13.757 -23.161 8.385 903 3HB ALA 119 3HB ALA 119 -13.469 -22.921 10.109 904 H LEU 120 H LEU 120 -15.358 -21.437 11.844 905 HA LEU 120 HA LEU 120 -16.027 -23.898 12.925 906 1HB LEU 120 2HB LEU 120 -15.779 -21.229 13.855 907 2HB LEU 120 1HB LEU 120 -17.296 -21.854 14.466 908 HG LEU 120 HG LEU 120 -16.176 -23.688 15.559 909 1HD1 LEU 120 1HD1 LEU 120 -13.909 -22.820 13.873 910 2HD1 LEU 120 2HD1 LEU 120 -14.396 -24.436 14.382 911 3HD1 LEU 120 3HD1 LEU 120 -13.521 -23.387 15.497 912 1HD2 LEU 120 1HD2 LEU 120 -14.343 -21.517 16.336 913 2HD2 LEU 120 2HD2 LEU 120 -15.454 -22.474 17.315 914 3HD2 LEU 120 3HD2 LEU 120 -16.061 -21.120 16.363 915 H PHE 121 H PHE 121 -18.171 -21.313 11.793 916 HA PHE 121 HA PHE 121 -20.613 -22.190 12.645 917 1HB PHE 121 2HB PHE 121 -19.655 -20.630 10.360 918 2HB PHE 121 1HB PHE 121 -21.203 -21.418 10.074 919 HD1 PHE 121 2HD PHE 121 -23.074 -21.020 11.740 920 HD2 PHE 121 1HD PHE 121 -19.516 -18.698 11.646 921 HE1 PHE 121 2HE PHE 121 -24.209 -19.239 12.992 922 HE2 PHE 121 1HE PHE 121 -20.639 -16.912 12.892 923 HZ PHE 121 HZ PHE 121 -22.991 -17.182 13.571 924 H ALA 122 H ALA 122 -18.603 -23.675 10.219 925 HA ALA 122 HA ALA 122 -20.339 -25.173 8.734 926 1HB ALA 122 1HB ALA 122 -18.454 -26.967 8.855 927 2HB ALA 122 2HB ALA 122 -17.585 -25.720 9.751 928 3HB ALA 122 3HB ALA 122 -18.133 -25.403 8.105 929 HA PRO 123 HA PRO 123 -22.699 -27.654 11.575 930 1HB PRO 123 2HB PRO 123 -22.628 -29.592 9.309 931 2HB PRO 123 1HB PRO 123 -24.010 -28.995 10.237 932 1HG PRO 123 2HG PRO 123 -23.541 -28.090 7.780 933 2HG PRO 123 1HG PRO 123 -24.107 -26.998 9.058 934 1HD PRO 123 2HD PRO 123 -21.379 -27.296 7.887 935 2HD PRO 123 1HD PRO 123 -22.205 -25.837 8.469 936 H ALA 124 H ALA 124 -20.170 -29.216 9.619 937 HA ALA 124 HA ALA 124 -18.977 -30.374 11.962 938 1HB ALA 124 1HB ALA 124 -20.708 -31.998 10.200 939 2HB ALA 124 2HB ALA 124 -20.331 -32.188 11.912 940 3HB ALA 124 3HB ALA 124 -19.176 -32.721 10.690 941 H ASP 125 H ASP 125 -16.884 -31.121 11.602 942 HA ASP 125 HA ASP 125 -15.860 -30.837 8.858 943 1HB ASP 125 2HB ASP 125 -14.660 -29.736 11.402 944 2HB ASP 125 1HB ASP 125 -13.763 -29.876 9.894 945 H GLY 126 H GLY 126 -16.625 -33.238 10.226 946 1HA GLY 126 2HA GLY 126 -14.133 -34.690 9.932 947 2HA GLY 126 1HA GLY 126 -14.817 -34.727 11.550 948 H GLU 127 H GLU 127 -17.526 -34.873 10.960 949 HA GLU 127 HA GLU 127 -17.790 -37.306 9.337 950 1HB GLU 127 2HB GLU 127 -17.561 -37.879 11.775 951 2HB GLU 127 1HB GLU 127 -19.047 -36.984 12.066 952 1HG GLU 127 2HG GLU 127 -20.091 -38.547 10.319 953 2HG GLU 127 1HG GLU 127 -18.659 -39.545 10.568 954 H LYS 128 H LYS 128 -19.430 -37.190 7.955 955 HA LYS 128 HA LYS 128 -21.976 -36.157 8.533 956 1HB LYS 128 2HB LYS 128 -20.473 -34.042 8.372 957 2HB LYS 128 1HB LYS 128 -20.516 -34.342 6.640 958 1HG LYS 128 2HG LYS 128 -23.163 -34.505 7.346 959 2HG LYS 128 1HG LYS 128 -22.550 -33.228 8.398 960 1HD LYS 128 2HD LYS 128 -21.998 -31.854 6.634 961 2HD LYS 128 1HD LYS 128 -21.824 -33.198 5.504 962 1HE LYS 128 2HE LYS 128 -23.846 -32.640 4.745 963 2HE LYS 128 1HE LYS 128 -24.478 -33.323 6.242 964 1HZ LYS 128 1HZ LYS 128 -23.700 -30.480 5.878 965 2HZ LYS 128 2HZ LYS 128 -24.420 -31.157 7.251 966 3HZ LYS 128 3HZ LYS 128 -25.287 -31.063 5.802 967 H SER 129 H SER 129 -23.446 -36.406 6.800 968 HA SER 129 HA SER 129 -24.290 -37.425 4.951 969 1HB SER 129 2HB SER 129 -21.734 -36.249 4.037 970 2HB SER 129 1HB SER 129 -22.403 -37.510 3.003 971 HG SER 129 HG SER 129 -23.953 -35.336 3.936 972 H GLU 130 H GLU 130 -23.590 -39.214 3.184 973 HA GLU 130 HA GLU 130 -22.013 -41.284 4.541 974 1HB GLU 130 2HB GLU 130 -23.760 -42.958 3.819 975 2HB GLU 130 1HB GLU 130 -24.242 -41.877 5.118 976 1HG GLU 130 2HG GLU 130 -25.368 -40.456 3.384 977 2HG GLU 130 1HG GLU 130 -25.048 -41.748 2.227 978 H ALA 131 H ALA 131 -23.698 -40.368 1.550 979 HA ALA 131 HA ALA 131 -21.439 -41.491 0.038 980 1HB ALA 131 1HB ALA 131 -22.896 -43.137 -0.513 981 2HB ALA 131 2HB ALA 131 -23.404 -41.949 -1.712 982 3HB ALA 131 3HB ALA 131 -24.315 -42.136 -0.214 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 22.564 2.374 26.930 2 2H GLY 1 2HT GLY 1 23.670 1.207 27.457 3 3H GLY 1 3HT GLY 1 22.056 1.129 27.958 4 1HA GLY 1 1HA GLY 1 23.054 -0.301 25.938 5 2HA GLY 1 2HA GLY 1 21.358 0.132 26.098 6 H SER 2 H SER 2 24.319 0.698 24.393 7 HA SER 2 HA SER 2 23.134 2.792 22.749 8 1HB SER 2 2HB SER 2 25.536 2.878 23.550 9 2HB SER 2 1HB SER 2 25.871 1.546 22.444 10 HG SER 2 HG SER 2 25.789 4.127 21.894 11 H HIS 3 H HIS 3 23.325 2.621 20.365 12 HA HIS 3 HA HIS 3 22.782 1.616 18.398 13 1HB HIS 3 2HB HIS 3 24.241 -0.660 19.738 14 2HB HIS 3 1HB HIS 3 23.621 -0.768 18.094 15 HD1 HIS 3 1HD HIS 3 25.112 2.444 19.262 16 HD2 HIS 3 2HD HIS 3 26.235 -0.896 17.063 17 HE1 HIS 3 1HE HIS 3 27.280 3.068 18.154 18 HE2 HIS 3 2HE HIS 3 27.986 0.999 16.901 19 H MET 4 H MET 4 20.705 1.316 17.973 20 HA MET 4 HA MET 4 19.370 -1.090 18.851 21 1HB MET 4 2HB MET 4 18.954 1.426 20.211 22 2HB MET 4 1HB MET 4 17.462 0.878 19.459 23 1HG MET 4 2HG MET 4 17.367 -1.041 20.739 24 2HG MET 4 1HG MET 4 19.091 -1.010 21.100 25 1HE MET 4 1HE MET 4 18.483 -1.575 23.649 26 2HE MET 4 2HE MET 4 18.721 -0.160 24.676 27 3HE MET 4 3HE MET 4 19.870 -0.517 23.386 28 H ASP 5 H ASP 5 17.254 -1.366 17.816 29 HA ASP 5 HA ASP 5 17.329 -0.748 15.084 30 1HB ASP 5 2HB ASP 5 15.086 -1.729 16.851 31 2HB ASP 5 1HB ASP 5 14.925 -1.558 15.105 32 H LYS 6 H LYS 6 17.493 1.444 14.706 33 HA LYS 6 HA LYS 6 15.182 3.080 15.517 34 1HB LYS 6 2HB LYS 6 17.503 3.743 16.329 35 2HB LYS 6 1HB LYS 6 17.872 4.135 14.654 36 1HG LYS 6 2HG LYS 6 16.320 5.889 14.605 37 2HG LYS 6 1HG LYS 6 15.520 5.334 16.076 38 1HD LYS 6 2HD LYS 6 18.387 5.973 16.336 39 2HD LYS 6 1HD LYS 6 17.323 7.341 16.007 40 1HE LYS 6 2HE LYS 6 17.032 7.370 18.233 41 2HE LYS 6 1HE LYS 6 15.923 6.032 17.932 42 1HZ LYS 6 1HZ LYS 6 17.818 5.810 19.682 43 2HZ LYS 6 2HZ LYS 6 18.772 5.452 18.332 44 3HZ LYS 6 3HZ LYS 6 17.421 4.499 18.688 45 H THR 7 H THR 7 17.154 2.004 12.844 46 HA THR 7 HA THR 7 15.186 3.153 10.999 47 HB THR 7 HB THR 7 17.128 4.656 11.076 48 HG1 THR 7 1HG THR 7 17.461 4.703 8.853 49 1HG2 THR 7 1HG2 THR 7 19.215 3.943 11.131 50 2HG2 THR 7 2HG2 THR 7 18.992 3.091 9.603 51 3HG2 THR 7 3HG2 THR 7 18.619 2.282 11.127 52 H PHE 8 H PHE 8 14.526 1.761 9.499 53 HA PHE 8 HA PHE 8 16.235 -0.467 8.695 54 1HB PHE 8 2HB PHE 8 14.002 -1.893 8.996 55 2HB PHE 8 1HB PHE 8 15.190 -1.722 10.287 56 HD1 PHE 8 2HD PHE 8 14.823 -0.029 12.071 57 HD2 PHE 8 1HD PHE 8 11.816 -1.045 9.221 58 HE1 PHE 8 2HE PHE 8 13.103 0.937 13.547 59 HE2 PHE 8 1HE PHE 8 10.097 -0.073 10.697 60 HZ PHE 8 HZ PHE 8 10.738 0.916 12.858 61 H CYS 9 H CYS 9 15.783 -1.333 6.693 62 HA CYS 9 HA CYS 9 13.931 0.224 5.032 63 1HB CYS 9 2HB CYS 9 15.070 -0.941 3.137 64 2HB CYS 9 1HB CYS 9 16.175 -0.005 4.137 65 HG CYS 9 HG CYS 9 17.057 -2.238 5.147 66 H VAL 10 H VAL 10 12.068 -0.673 4.233 67 HA VAL 10 HA VAL 10 11.564 -3.489 4.933 68 HB VAL 10 HB VAL 10 10.083 -1.264 5.609 69 1HG1 VAL 10 1HG1 VAL 10 9.299 -1.430 3.101 70 2HG1 VAL 10 2HG1 VAL 10 8.153 -1.069 4.389 71 3HG1 VAL 10 3HG1 VAL 10 8.266 -2.705 3.744 72 1HG2 VAL 10 1HG2 VAL 10 9.038 -2.741 6.910 73 2HG2 VAL 10 2HG2 VAL 10 10.144 -3.917 6.210 74 3HG2 VAL 10 3HG2 VAL 10 8.526 -3.725 5.540 75 H VAL 11 H VAL 11 10.288 -4.771 3.496 76 HA VAL 11 HA VAL 11 10.141 -3.798 0.753 77 HB VAL 11 HB VAL 11 12.165 -4.903 0.633 78 1HG1 VAL 11 1HG1 VAL 11 10.990 -7.031 2.388 79 2HG1 VAL 11 2HG1 VAL 11 12.275 -5.886 2.777 80 3HG1 VAL 11 3HG1 VAL 11 12.560 -7.162 1.592 81 1HG2 VAL 11 1HG2 VAL 11 11.791 -6.887 -0.724 82 2HG2 VAL 11 2HG2 VAL 11 10.598 -5.647 -1.113 83 3HG2 VAL 11 3HG2 VAL 11 10.146 -7.020 -0.102 84 H VAL 12 H VAL 12 8.000 -3.790 0.564 85 HA VAL 12 HA VAL 12 6.403 -6.022 1.548 86 HB VAL 12 HB VAL 12 5.482 -3.492 0.172 87 1HG1 VAL 12 1HG1 VAL 12 3.915 -5.293 1.993 88 2HG1 VAL 12 2HG1 VAL 12 3.963 -5.519 0.243 89 3HG1 VAL 12 3HG1 VAL 12 3.318 -4.024 0.921 90 1HG2 VAL 12 1HG2 VAL 12 4.848 -3.377 2.893 91 2HG2 VAL 12 2HG2 VAL 12 6.042 -2.407 2.032 92 3HG2 VAL 12 3HG2 VAL 12 6.530 -3.903 2.826 93 H GLN 13 H GLN 13 5.626 -7.593 0.287 94 HA GLN 13 HA GLN 13 5.659 -7.203 -2.632 95 1HB GLN 13 2HB GLN 13 6.230 -9.850 -1.316 96 2HB GLN 13 1HB GLN 13 6.498 -9.388 -2.991 97 1HG GLN 13 2HG GLN 13 8.558 -8.735 -2.533 98 2HG GLN 13 1HG GLN 13 7.979 -7.647 -1.272 99 1HE2 GLN 13 1HE2 GLN 13 8.766 -11.033 -1.907 100 2HE2 GLN 13 2HE2 GLN 13 9.319 -11.389 -0.310 101 H ASN 14 H ASN 14 3.571 -7.065 -3.192 102 HA ASN 14 HA ASN 14 1.764 -9.172 -2.210 103 1HB ASN 14 2HB ASN 14 1.506 -6.309 -1.901 104 2HB ASN 14 1HB ASN 14 0.152 -6.957 -2.823 105 1HD2 ASN 14 1HD2 ASN 14 -1.474 -7.788 -1.729 106 2HD2 ASN 14 2HD2 ASN 14 -1.439 -8.266 -0.069 107 H ARG 15 H ARG 15 0.309 -10.007 -3.680 108 HA ARG 15 HA ARG 15 0.655 -9.104 -6.464 109 1HB ARG 15 2HB ARG 15 0.223 -11.926 -5.468 110 2HB ARG 15 1HB ARG 15 0.312 -11.448 -7.158 111 1HG ARG 15 2HG ARG 15 2.562 -10.905 -5.254 112 2HG ARG 15 1HG ARG 15 2.396 -12.453 -6.087 113 1HD ARG 15 2HD ARG 15 2.057 -10.418 -8.021 114 2HD ARG 15 1HD ARG 15 3.471 -9.992 -7.060 115 HE ARG 15 HE ARG 15 3.880 -12.602 -7.616 116 1HH1 ARG 15 1HH1 ARG 15 3.117 -9.842 -9.611 117 2HH1 ARG 15 2HH1 ARG 15 3.946 -10.458 -10.999 118 1HH2 ARG 15 1HH2 ARG 15 4.971 -13.415 -9.442 119 2HH2 ARG 15 2HH2 ARG 15 4.998 -12.487 -10.904 120 H ILE 16 H ILE 16 -1.191 -7.728 -6.158 121 HA ILE 16 HA ILE 16 -3.719 -9.221 -6.354 122 HB ILE 16 HB ILE 16 -3.517 -6.531 -5.005 123 1HG1 ILE 16 2HG1 ILE 16 -3.632 -9.272 -3.727 124 2HG1 ILE 16 1HG1 ILE 16 -2.249 -8.183 -3.698 125 1HG2 ILE 16 1HG2 ILE 16 -5.683 -7.295 -6.041 126 2HG2 ILE 16 2HG2 ILE 16 -5.751 -6.905 -4.322 127 3HG2 ILE 16 3HG2 ILE 16 -5.702 -8.589 -4.844 128 1HD1 ILE 16 1HD1 ILE 16 -4.937 -7.599 -2.480 129 2HD1 ILE 16 2HD1 ILE 16 -3.497 -6.584 -2.389 130 3HD1 ILE 16 3HD1 ILE 16 -3.515 -8.163 -1.603 131 H LYS 17 H LYS 17 -2.383 -5.934 -6.819 132 HA LYS 17 HA LYS 17 -3.528 -5.924 -9.511 133 1HB LYS 17 2HB LYS 17 -3.886 -3.647 -7.559 134 2HB LYS 17 1HB LYS 17 -4.465 -3.700 -9.217 135 1HG LYS 17 2HG LYS 17 -5.455 -5.971 -7.781 136 2HG LYS 17 1HG LYS 17 -5.811 -4.494 -6.887 137 1HD LYS 17 2HD LYS 17 -7.320 -3.808 -8.399 138 2HD LYS 17 1HD LYS 17 -6.303 -4.280 -9.762 139 1HE LYS 17 2HE LYS 17 -7.906 -5.835 -10.075 140 2HE LYS 17 1HE LYS 17 -7.010 -6.708 -8.833 141 1HZ LYS 17 1HZ LYS 17 -8.516 -5.942 -7.174 142 2HZ LYS 17 2HZ LYS 17 -9.438 -6.582 -8.439 143 3HZ LYS 17 3HZ LYS 17 -9.297 -4.906 -8.260 144 H GLU 18 H GLU 18 -1.031 -5.012 -7.330 145 HA GLU 18 HA GLU 18 1.020 -4.080 -7.655 146 1HB GLU 18 2HB GLU 18 0.392 -4.138 -10.610 147 2HB GLU 18 1HB GLU 18 1.981 -4.047 -9.862 148 1HG GLU 18 2HG GLU 18 1.958 -6.270 -9.230 149 2HG GLU 18 1HG GLU 18 0.202 -6.383 -9.326 150 H GLY 19 H GLY 19 -1.543 -2.541 -7.526 151 1HA GLY 19 2HA GLY 19 -0.472 0.057 -7.663 152 2HA GLY 19 1HA GLY 19 -1.458 -0.229 -9.093 153 H TYR 20 H TYR 20 -1.699 -0.971 -5.622 154 HA TYR 20 HA TYR 20 -4.541 -0.356 -5.690 155 1HB TYR 20 2HB TYR 20 -3.589 -2.408 -4.547 156 2HB TYR 20 1HB TYR 20 -2.911 -1.323 -3.340 157 HD1 TYR 20 1HD TYR 20 -5.939 0.110 -4.311 158 HD2 TYR 20 2HD TYR 20 -4.396 -3.152 -2.052 159 HE1 TYR 20 1HE TYR 20 -8.040 0.001 -3.042 160 HE2 TYR 20 2HE TYR 20 -6.493 -3.267 -0.777 161 HH TYR 20 HH TYR 20 -8.876 -2.611 -1.087 162 H ARG 21 H ARG 21 -2.614 1.792 -5.993 163 HA ARG 21 HA ARG 21 -2.342 3.940 -5.299 164 1HB ARG 21 2HB ARG 21 -4.714 3.361 -3.530 165 2HB ARG 21 1HB ARG 21 -4.175 4.941 -4.088 166 1HG ARG 21 2HG ARG 21 -5.711 4.677 -5.680 167 2HG ARG 21 1HG ARG 21 -4.525 3.606 -6.431 168 1HD ARG 21 2HD ARG 21 -5.589 1.686 -5.675 169 2HD ARG 21 1HD ARG 21 -6.452 2.549 -4.402 170 HE ARG 21 HE ARG 21 -7.331 2.130 -7.071 171 1HH1 ARG 21 1HH1 ARG 21 -7.418 4.441 -4.457 172 2HH1 ARG 21 2HH1 ARG 21 -8.911 5.152 -4.971 173 1HH2 ARG 21 1HH2 ARG 21 -9.294 3.065 -7.748 174 2HH2 ARG 21 2HH2 ARG 21 -9.977 4.372 -6.838 175 H ARG 22 H ARG 22 -2.516 5.294 -3.045 176 HA ARG 22 HA ARG 22 -1.799 4.054 -0.668 177 1HB ARG 22 2HB ARG 22 0.220 3.423 -2.003 178 2HB ARG 22 1HB ARG 22 0.606 5.135 -2.115 179 1HG ARG 22 2HG ARG 22 1.912 4.263 -0.353 180 2HG ARG 22 1HG ARG 22 0.612 5.185 0.400 181 1HD ARG 22 2HD ARG 22 1.122 2.935 1.433 182 2HD ARG 22 1HD ARG 22 -0.562 3.230 1.001 183 HE ARG 22 HE ARG 22 0.983 1.874 -1.025 184 1HH1 ARG 22 1HH1 ARG 22 -1.058 1.502 1.782 185 2HH1 ARG 22 2HH1 ARG 22 -1.538 -0.110 1.373 186 1HH2 ARG 22 1HH2 ARG 22 0.352 -0.246 -1.562 187 2HH2 ARG 22 2HH2 ARG 22 -0.737 -1.104 -0.524 188 H ALA 23 H ALA 23 -1.504 6.808 -2.753 189 HA ALA 23 HA ALA 23 -2.705 8.665 -1.129 190 1HB ALA 23 1HB ALA 23 -1.042 8.570 0.526 191 2HB ALA 23 2HB ALA 23 -0.628 9.997 -0.425 192 3HB ALA 23 3HB ALA 23 0.259 8.491 -0.663 193 H GLY 24 H GLY 24 -0.209 7.957 -3.445 194 1HA GLY 24 2HA GLY 24 -1.130 9.217 -5.620 195 2HA GLY 24 1HA GLY 24 -0.388 10.545 -4.738 196 H PHE 25 H PHE 25 0.847 7.252 -4.654 197 HA PHE 25 HA PHE 25 3.087 8.114 -6.365 198 1HB PHE 25 2HB PHE 25 3.438 6.381 -3.923 199 2HB PHE 25 1HB PHE 25 4.687 7.170 -4.881 200 HD1 PHE 25 1HD PHE 25 2.068 7.657 -2.363 201 HD2 PHE 25 2HD PHE 25 5.226 9.483 -4.556 202 HE1 PHE 25 1HE PHE 25 2.012 9.582 -0.832 203 HE2 PHE 25 2HE PHE 25 5.176 11.411 -3.029 204 HZ PHE 25 HZ PHE 25 3.568 11.462 -1.164 205 H SER 26 H SER 26 0.625 6.321 -6.695 206 HA SER 26 HA SER 26 0.072 4.250 -7.511 207 1HB SER 26 2HB SER 26 1.936 3.579 -9.323 208 2HB SER 26 1HB SER 26 0.766 4.869 -9.601 209 HG SER 26 HG SER 26 2.295 6.368 -9.153 210 H PHE 27 H PHE 27 1.442 4.090 -5.051 211 HA PHE 27 HA PHE 27 3.606 2.474 -4.793 212 1HB PHE 27 2HB PHE 27 1.829 3.472 -3.055 213 2HB PHE 27 1HB PHE 27 1.325 1.786 -3.027 214 HD1 PHE 27 2HD PHE 27 3.349 0.071 -2.783 215 HD2 PHE 27 1HD PHE 27 3.412 4.147 -1.558 216 HE1 PHE 27 2HE PHE 27 5.173 -0.434 -1.212 217 HE2 PHE 27 1HE PHE 27 5.239 3.650 0.015 218 HZ PHE 27 HZ PHE 27 6.121 1.356 0.190 219 H HIS 28 H HIS 28 3.891 0.850 -6.279 220 HA HIS 28 HA HIS 28 1.942 -0.998 -7.083 221 1HB HIS 28 2HB HIS 28 4.920 -1.501 -6.978 222 2HB HIS 28 1HB HIS 28 3.744 -2.277 -8.034 223 HD1 HIS 28 1HD HIS 28 6.343 -0.479 -8.807 224 HD2 HIS 28 2HD HIS 28 2.335 0.580 -9.076 225 HE1 HIS 28 1HE HIS 28 6.244 1.344 -10.537 226 HE2 HIS 28 2HE HIS 28 3.798 1.907 -10.746 227 H LEU 29 H LEU 29 1.045 -2.649 -6.061 228 HA LEU 29 HA LEU 29 1.558 -3.288 -3.397 229 1HB LEU 29 2HB LEU 29 0.108 -4.725 -5.598 230 2HB LEU 29 1HB LEU 29 0.243 -5.423 -3.997 231 HG LEU 29 HG LEU 29 -1.163 -2.873 -4.771 232 1HD1 LEU 29 1HD1 LEU 29 -2.850 -4.395 -3.251 233 2HD1 LEU 29 2HD1 LEU 29 -1.967 -5.613 -4.169 234 3HD1 LEU 29 3HD1 LEU 29 -2.836 -4.332 -5.013 235 1HD2 LEU 29 1HD2 LEU 29 -0.257 -3.856 -2.101 236 2HD2 LEU 29 2HD2 LEU 29 -1.757 -2.940 -2.242 237 3HD2 LEU 29 3HD2 LEU 29 -0.233 -2.222 -2.762 238 H GLY 30 H GLY 30 2.888 -4.604 -6.354 239 1HA GLY 30 2HA GLY 30 3.972 -6.992 -5.436 240 2HA GLY 30 1HA GLY 30 4.652 -6.019 -6.731 241 H ASP 31 H ASP 31 6.648 -7.009 -5.771 242 HA ASP 31 HA ASP 31 7.624 -6.355 -3.248 243 1HB ASP 31 2HB ASP 31 9.924 -6.610 -4.407 244 2HB ASP 31 1HB ASP 31 8.845 -7.998 -4.355 245 H ASN 32 H ASN 32 8.134 -4.506 -2.355 246 HA ASN 32 HA ASN 32 9.372 -2.392 -3.949 247 1HB ASN 32 2HB ASN 32 6.816 -2.075 -3.782 248 2HB ASN 32 1HB ASN 32 7.107 -1.705 -2.085 249 1HD2 ASN 32 1HD2 ASN 32 6.170 -0.095 -4.436 250 2HD2 ASN 32 2HD2 ASN 32 7.185 1.302 -4.434 251 H SER 33 H SER 33 11.118 -1.664 -2.906 252 HA SER 33 HA SER 33 11.502 -2.376 -0.123 253 1HB SER 33 2HB SER 33 13.376 -0.975 -2.040 254 2HB SER 33 1HB SER 33 13.792 -1.554 -0.425 255 HG SER 33 HG SER 33 14.323 -2.985 -2.243 256 H LEU 34 H LEU 34 11.874 -0.987 1.533 257 HA LEU 34 HA LEU 34 11.062 1.811 1.099 258 1HB LEU 34 2HB LEU 34 9.370 0.781 2.378 259 2HB LEU 34 1HB LEU 34 10.512 -0.134 3.329 260 HG LEU 34 HG LEU 34 9.247 1.791 4.420 261 1HD1 LEU 34 1HD1 LEU 34 10.941 0.600 5.568 262 2HD1 LEU 34 2HD1 LEU 34 11.276 2.314 5.796 263 3HD1 LEU 34 3HD1 LEU 34 12.213 1.373 4.633 264 1HD2 LEU 34 1HD2 LEU 34 11.370 3.659 3.830 265 2HD2 LEU 34 2HD2 LEU 34 9.624 3.895 3.824 266 3HD2 LEU 34 3HD2 LEU 34 10.430 3.262 2.391 267 H ALA 35 H ALA 35 12.305 3.426 2.022 268 HA ALA 35 HA ALA 35 15.020 2.845 2.562 269 1HB ALA 35 1HB ALA 35 15.073 5.317 3.166 270 2HB ALA 35 2HB ALA 35 13.375 5.348 2.692 271 3HB ALA 35 3HB ALA 35 14.610 4.901 1.517 272 H ALA 36 H ALA 36 16.163 3.368 4.500 273 HA ALA 36 HA ALA 36 14.900 2.280 6.789 274 1HB ALA 36 1HB ALA 36 17.410 2.292 6.048 275 2HB ALA 36 2HB ALA 36 16.975 2.243 7.757 276 3HB ALA 36 3HB ALA 36 17.466 3.766 7.016 277 H VAL 37 H VAL 37 13.347 3.340 7.768 278 HA VAL 37 HA VAL 37 13.835 6.121 8.609 279 HB VAL 37 HB VAL 37 11.719 6.788 8.084 280 1HG1 VAL 37 1HG1 VAL 37 12.876 5.422 6.089 281 2HG1 VAL 37 2HG1 VAL 37 11.332 6.259 5.921 282 3HG1 VAL 37 3HG1 VAL 37 11.364 4.521 6.225 283 1HG2 VAL 37 1HG2 VAL 37 10.889 4.012 8.816 284 2HG2 VAL 37 2HG2 VAL 37 9.805 5.024 7.860 285 3HG2 VAL 37 3HG2 VAL 37 10.332 5.558 9.455 286 H SER 38 H SER 38 11.952 6.567 10.411 287 HA SER 38 HA SER 38 12.832 5.250 12.716 288 1HB SER 38 2HB SER 38 11.378 7.499 12.235 289 2HB SER 38 1HB SER 38 10.125 6.420 12.850 290 HG SER 38 HG SER 38 11.691 6.003 14.615 291 H GLU 39 H GLU 39 9.550 5.051 11.311 292 HA GLU 39 HA GLU 39 9.408 2.228 11.434 293 1HB GLU 39 2HB GLU 39 9.405 2.652 13.854 294 2HB GLU 39 1HB GLU 39 7.993 3.684 13.672 295 1HG GLU 39 2HG GLU 39 7.413 1.180 12.472 296 2HG GLU 39 1HG GLU 39 8.108 0.881 14.064 297 H SER 40 H SER 40 7.959 5.317 10.949 298 HA SER 40 HA SER 40 5.322 4.899 10.502 299 1HB SER 40 2HB SER 40 7.340 6.541 9.005 300 2HB SER 40 1HB SER 40 5.668 6.477 8.446 301 HG SER 40 HG SER 40 6.667 7.966 10.377 302 H GLN 41 H GLN 41 7.970 3.712 8.568 303 HA GLN 41 HA GLN 41 6.658 2.948 6.236 304 1HB GLN 41 2HB GLN 41 8.816 2.519 5.863 305 2HB GLN 41 1HB GLN 41 9.168 2.389 7.572 306 1HG GLN 41 2HG GLN 41 7.784 0.031 6.691 307 2HG GLN 41 1HG GLN 41 9.156 0.351 5.647 308 1HE2 GLN 41 1HE2 GLN 41 8.247 -1.283 8.288 309 2HE2 GLN 41 2HE2 GLN 41 9.753 -1.379 9.129 310 H LEU 42 H LEU 42 7.432 0.851 9.004 311 HA LEU 42 HA LEU 42 6.002 -1.383 8.244 312 1HB LEU 42 2HB LEU 42 7.609 -1.172 10.160 313 2HB LEU 42 1HB LEU 42 6.329 -0.403 11.079 314 HG LEU 42 HG LEU 42 5.019 -2.622 10.468 315 1HD1 LEU 42 1HD1 LEU 42 6.589 -4.551 10.553 316 2HD1 LEU 42 2HD1 LEU 42 7.918 -3.419 10.298 317 3HD1 LEU 42 3HD1 LEU 42 6.677 -3.616 9.060 318 1HD2 LEU 42 1HD2 LEU 42 6.375 -3.601 12.570 319 2HD2 LEU 42 2HD2 LEU 42 5.153 -2.335 12.704 320 3HD2 LEU 42 3HD2 LEU 42 6.863 -1.908 12.657 321 H ALA 43 H ALA 43 4.869 1.229 10.384 322 HA ALA 43 HA ALA 43 2.257 0.198 10.671 323 1HB ALA 43 1HB ALA 43 3.180 1.739 12.275 324 2HB ALA 43 2HB ALA 43 1.711 2.418 11.574 325 3HB ALA 43 3HB ALA 43 3.291 2.998 11.046 326 H GLN 44 H GLN 44 3.699 2.404 8.340 327 HA GLN 44 HA GLN 44 1.427 3.512 7.206 328 1HB GLN 44 2HB GLN 44 3.650 4.242 6.567 329 2HB GLN 44 1HB GLN 44 4.002 2.671 5.862 330 1HG GLN 44 2HG GLN 44 2.224 3.057 4.198 331 2HG GLN 44 1HG GLN 44 1.970 4.663 4.880 332 1HE2 GLN 44 1HE2 GLN 44 4.120 2.623 3.057 333 2HE2 GLN 44 2HE2 GLN 44 5.120 3.888 2.436 334 H LEU 45 H LEU 45 3.090 0.516 6.252 335 HA LEU 45 HA LEU 45 0.995 -0.224 4.430 336 1HB LEU 45 2HB LEU 45 3.525 -1.499 5.380 337 2HB LEU 45 1HB LEU 45 2.338 -2.452 4.509 338 1HD1 LEU 45 1HD1 LEU 45 5.249 -1.598 3.920 339 2HD1 LEU 45 2HD1 LEU 45 5.000 0.146 3.996 340 3HD1 LEU 45 3HD1 LEU 45 5.215 -0.647 2.436 341 1HD2 LEU 45 1HD2 LEU 45 3.787 -1.988 1.518 342 2HD2 LEU 45 2HD2 LEU 45 2.081 -1.573 1.679 343 3HD2 LEU 45 3HD2 LEU 45 2.757 -2.902 2.621 344 H LYS 46 H LYS 46 2.251 -1.586 7.454 345 HA LYS 46 HA LYS 46 0.390 -3.597 7.832 346 1HB LYS 46 2HB LYS 46 2.516 -2.981 9.191 347 2HB LYS 46 1HB LYS 46 1.422 -1.995 10.150 348 1HG LYS 46 2HG LYS 46 0.922 -3.785 11.347 349 2HG LYS 46 1HG LYS 46 0.198 -4.510 9.911 350 1HD LYS 46 2HD LYS 46 1.993 -5.844 9.513 351 2HD LYS 46 1HD LYS 46 3.145 -4.663 10.139 352 1HE LYS 46 2HE LYS 46 2.230 -5.190 12.439 353 2HE LYS 46 1HE LYS 46 1.389 -6.549 11.694 354 1HZ LYS 46 1HZ LYS 46 4.213 -6.211 12.274 355 2HZ LYS 46 2HZ LYS 46 3.858 -6.945 10.792 356 3HZ LYS 46 3HZ LYS 46 3.276 -7.620 12.230 357 H ALA 47 H ALA 47 -0.011 -0.177 8.177 358 HA ALA 47 HA ALA 47 -2.027 0.133 9.989 359 1HB ALA 47 1HB ALA 47 -1.470 1.501 7.388 360 2HB ALA 47 2HB ALA 47 -1.267 2.101 9.034 361 3HB ALA 47 3HB ALA 47 -2.883 1.943 8.346 362 H ASP 48 H ASP 48 -2.230 -1.343 6.836 363 HA ASP 48 HA ASP 48 -5.052 -1.978 7.372 364 1HB ASP 48 2HB ASP 48 -4.341 -0.282 5.397 365 2HB ASP 48 1HB ASP 48 -4.206 -1.811 4.536 366 HA PRO 49 HA PRO 49 -3.386 -6.096 6.918 367 1HB PRO 49 2HB PRO 49 -5.675 -7.461 7.320 368 2HB PRO 49 1HB PRO 49 -4.820 -6.649 8.638 369 1HG PRO 49 2HG PRO 49 -7.209 -5.730 7.084 370 2HG PRO 49 1HG PRO 49 -6.919 -5.663 8.832 371 1HD PRO 49 2HD PRO 49 -6.566 -3.525 7.190 372 2HD PRO 49 1HD PRO 49 -5.621 -3.772 8.672 373 H ARG 50 H ARG 50 -3.381 -5.045 4.517 374 HA ARG 50 HA ARG 50 -4.989 -6.883 2.872 375 1HB ARG 50 2HB ARG 50 -4.267 -4.005 2.328 376 2HB ARG 50 1HB ARG 50 -4.866 -5.094 1.084 377 1HG ARG 50 2HG ARG 50 -6.508 -5.004 3.508 378 2HG ARG 50 1HG ARG 50 -6.414 -3.481 2.622 379 1HD ARG 50 2HD ARG 50 -7.138 -4.591 0.589 380 2HD ARG 50 1HD ARG 50 -7.157 -6.145 1.419 381 HE ARG 50 HE ARG 50 -9.161 -4.088 1.539 382 1HH1 ARG 50 1HH1 ARG 50 -7.776 -6.831 3.193 383 2HH1 ARG 50 2HH1 ARG 50 -9.209 -7.161 4.109 384 1HH2 ARG 50 1HH2 ARG 50 -11.045 -4.519 2.742 385 2HH2 ARG 50 2HH2 ARG 50 -11.065 -5.849 3.852 386 H LEU 51 H LEU 51 -1.932 -5.120 3.188 387 HA LEU 51 HA LEU 51 -0.739 -7.067 1.326 388 1HB LEU 51 2HB LEU 51 0.679 -4.510 1.770 389 2HB LEU 51 1HB LEU 51 0.546 -5.486 0.320 390 HG LEU 51 HG LEU 51 -0.549 -3.467 -0.177 391 1HD1 LEU 51 1HD1 LEU 51 -3.110 -4.560 0.395 392 2HD1 LEU 51 2HD1 LEU 51 -2.019 -5.880 -0.024 393 3HD1 LEU 51 3HD1 LEU 51 -2.236 -4.529 -1.136 394 1HD2 LEU 51 1HD2 LEU 51 -1.761 -2.181 1.246 395 2HD2 LEU 51 2HD2 LEU 51 -0.792 -3.051 2.436 396 3HD2 LEU 51 3HD2 LEU 51 -2.443 -3.565 2.097 397 H VAL 52 H VAL 52 0.950 -8.225 2.013 398 HA VAL 52 HA VAL 52 1.609 -8.281 4.770 399 HB VAL 52 HB VAL 52 3.271 -9.540 2.618 400 1HG1 VAL 52 1HG1 VAL 52 4.217 -9.822 4.764 401 2HG1 VAL 52 2HG1 VAL 52 3.441 -11.351 4.355 402 3HG1 VAL 52 3HG1 VAL 52 2.656 -10.237 5.474 403 1HG2 VAL 52 1HG2 VAL 52 0.480 -10.136 3.366 404 2HG2 VAL 52 2HG2 VAL 52 1.562 -11.522 3.223 405 3HG2 VAL 52 3HG2 VAL 52 1.338 -10.433 1.853 406 H VAL 53 H VAL 53 2.715 -6.668 5.677 407 HA VAL 53 HA VAL 53 5.053 -5.560 4.281 408 HB VAL 53 HB VAL 53 3.604 -3.811 4.912 409 1HG1 VAL 53 1HG1 VAL 53 2.925 -3.520 7.354 410 2HG1 VAL 53 2HG1 VAL 53 3.386 -5.211 7.554 411 3HG1 VAL 53 3HG1 VAL 53 2.102 -4.775 6.426 412 1HG2 VAL 53 1HG2 VAL 53 4.895 -2.468 6.434 413 2HG2 VAL 53 2HG2 VAL 53 5.989 -3.412 5.420 414 3HG2 VAL 53 3HG2 VAL 53 5.684 -3.905 7.087 415 H GLN 54 H GLN 54 6.912 -6.428 4.813 416 HA GLN 54 HA GLN 54 7.346 -7.292 7.599 417 1HB GLN 54 2HB GLN 54 7.857 -8.742 5.047 418 2HB GLN 54 1HB GLN 54 8.969 -8.993 6.386 419 1HG GLN 54 2HG GLN 54 7.083 -9.661 7.806 420 2HG GLN 54 1HG GLN 54 5.995 -9.451 6.435 421 1HE2 GLN 54 1HE2 GLN 54 6.055 -10.925 4.742 422 2HE2 GLN 54 2HE2 GLN 54 6.827 -12.464 4.887 423 H ILE 55 H ILE 55 9.350 -6.983 8.500 424 HA ILE 55 HA ILE 55 11.111 -5.130 7.055 425 HB ILE 55 HB ILE 55 12.077 -4.646 9.307 426 1HG1 ILE 55 2HG1 ILE 55 9.720 -5.740 10.692 427 2HG1 ILE 55 1HG1 ILE 55 10.832 -6.959 10.079 428 1HG2 ILE 55 1HG2 ILE 55 10.459 -3.140 8.383 429 2HG2 ILE 55 2HG2 ILE 55 10.114 -3.339 10.100 430 3HG2 ILE 55 3HG2 ILE 55 9.129 -4.176 8.902 431 1HD1 ILE 55 1HD1 ILE 55 12.583 -5.309 11.249 432 2HD1 ILE 55 2HD1 ILE 55 11.794 -6.646 12.086 433 3HD1 ILE 55 3HD1 ILE 55 11.167 -5.007 12.256 434 H THR 56 H THR 56 13.172 -5.627 6.579 435 HA THR 56 HA THR 56 14.231 -8.178 7.603 436 HB THR 56 HB THR 56 14.770 -7.010 4.868 437 HG1 THR 56 1HG THR 56 12.654 -7.676 4.888 438 1HG2 THR 56 1HG2 THR 56 15.238 -9.642 4.632 439 2HG2 THR 56 2HG2 THR 56 15.748 -9.381 6.301 440 3HG2 THR 56 3HG2 THR 56 16.484 -8.449 4.998 441 H GLU 57 H GLU 57 15.685 -7.582 9.087 442 HA GLU 57 HA GLU 57 17.223 -5.196 8.945 443 1HB GLU 57 2HB GLU 57 17.258 -7.623 10.704 444 2HB GLU 57 1HB GLU 57 18.567 -6.453 10.798 445 1HG GLU 57 2HG GLU 57 17.283 -5.446 12.317 446 2HG GLU 57 1HG GLU 57 16.385 -4.837 10.927 447 H THR 58 H THR 58 18.464 -8.536 9.068 448 HA THR 58 HA THR 58 20.264 -7.943 6.847 449 HB THR 58 HB THR 58 22.219 -8.795 8.101 450 HG1 THR 58 1HG THR 58 22.058 -9.068 10.319 451 1HG2 THR 58 1HG2 THR 58 22.104 -6.440 8.053 452 2HG2 THR 58 2HG2 THR 58 22.477 -6.896 9.716 453 3HG2 THR 58 3HG2 THR 58 20.839 -6.407 9.281 454 H GLY 59 H GLY 59 21.763 -10.103 6.659 455 1HA GLY 59 2HA GLY 59 19.915 -12.399 6.840 456 2HA GLY 59 1HA GLY 59 20.809 -12.059 5.367 457 H SER 60 H SER 60 20.884 -13.506 8.471 458 HA SER 60 HA SER 60 23.728 -13.807 8.649 459 1HB SER 60 2HB SER 60 21.702 -14.028 10.453 460 2HB SER 60 1HB SER 60 22.038 -15.727 10.124 461 HG SER 60 HG SER 60 24.323 -15.086 10.503 462 H GLN 61 H GLN 61 21.129 -15.580 7.177 463 HA GLN 61 HA GLN 61 22.234 -18.124 6.983 464 1HB GLN 61 2HB GLN 61 20.289 -16.570 5.331 465 2HB GLN 61 1HB GLN 61 20.888 -18.103 4.715 466 1HG GLN 61 2HG GLN 61 19.155 -18.966 5.827 467 2HG GLN 61 1HG GLN 61 20.203 -18.803 7.236 468 1HE2 GLN 61 1HE2 GLN 61 18.070 -18.786 8.314 469 2HE2 GLN 61 2HE2 GLN 61 17.268 -17.267 8.502 470 H GLU 62 H GLU 62 23.792 -19.036 5.782 471 HA GLU 62 HA GLU 62 25.566 -19.256 4.378 472 1HB GLU 62 2HB GLU 62 23.599 -17.685 2.852 473 2HB GLU 62 1HB GLU 62 25.255 -17.538 2.278 474 1HG GLU 62 2HG GLU 62 25.420 -19.895 1.941 475 2HG GLU 62 1HG GLU 62 23.864 -20.166 2.723 476 H GLY 63 H GLY 63 27.542 -18.231 3.679 477 1HA GLY 63 2HA GLY 63 28.106 -15.843 5.272 478 2HA GLY 63 1HA GLY 63 29.299 -16.929 4.575 479 H GLY 64 H GLY 64 28.231 -16.957 1.922 480 1HA GLY 64 2HA GLY 64 27.658 -14.647 0.648 481 2HA GLY 64 1HA GLY 64 29.370 -14.465 0.994 482 H GLU 65 H GLU 65 28.058 -14.636 -1.591 483 HA GLU 65 HA GLU 65 29.860 -16.362 -2.893 484 1HB GLU 65 2HB GLU 65 28.112 -17.973 -1.874 485 2HB GLU 65 1HB GLU 65 27.034 -17.362 -3.121 486 1HG GLU 65 2HG GLU 65 29.319 -17.990 -4.519 487 2HG GLU 65 1HG GLU 65 29.216 -19.267 -3.307 488 H GLY 66 H GLY 66 29.035 -13.678 -3.122 489 1HA GLY 66 2HA GLY 66 28.207 -13.689 -5.930 490 2HA GLY 66 1HA GLY 66 27.254 -12.732 -4.806 491 H LEU 67 H LEU 67 28.298 -11.381 -6.832 492 HA LEU 67 HA LEU 67 30.806 -10.187 -5.888 493 1HB LEU 67 2HB LEU 67 30.613 -8.982 -8.172 494 2HB LEU 67 1HB LEU 67 31.098 -10.666 -8.127 495 HG LEU 67 HG LEU 67 28.198 -10.188 -8.431 496 1HD1 LEU 67 1HD1 LEU 67 30.204 -9.096 -10.307 497 2HD1 LEU 67 2HD1 LEU 67 28.545 -8.586 -9.991 498 3HD1 LEU 67 3HD1 LEU 67 28.858 -9.989 -11.013 499 1HD2 LEU 67 1HD2 LEU 67 30.273 -12.113 -9.333 500 2HD2 LEU 67 2HD2 LEU 67 28.827 -11.922 -10.325 501 3HD2 LEU 67 3HD2 LEU 67 28.679 -12.407 -8.636 502 H SER 68 H SER 68 27.488 -9.364 -6.786 503 HA SER 68 HA SER 68 26.206 -7.522 -6.410 504 1HB SER 68 2HB SER 68 26.271 -6.613 -4.211 505 2HB SER 68 1HB SER 68 26.763 -8.300 -4.052 506 HG SER 68 HG SER 68 28.816 -7.687 -3.702 507 H LYS 69 H LYS 69 27.510 -6.765 -8.392 508 HA LYS 69 HA LYS 69 28.177 -4.017 -7.965 509 1HB LYS 69 2HB LYS 69 30.464 -4.088 -8.805 510 2HB LYS 69 1HB LYS 69 30.317 -5.054 -7.343 511 1HG LYS 69 2HG LYS 69 30.233 -7.087 -8.685 512 2HG LYS 69 1HG LYS 69 30.358 -6.124 -10.158 513 1HD LYS 69 2HD LYS 69 32.553 -5.358 -9.530 514 2HD LYS 69 1HD LYS 69 32.421 -6.146 -7.956 515 1HE LYS 69 2HE LYS 69 32.077 -8.306 -9.346 516 2HE LYS 69 1HE LYS 69 32.784 -7.371 -10.664 517 1HZ LYS 69 1HZ LYS 69 34.805 -7.252 -9.617 518 2HZ LYS 69 2HZ LYS 69 34.291 -8.784 -9.119 519 3HZ LYS 69 3HZ LYS 69 34.158 -7.465 -8.068 520 H GLU 70 H GLU 70 26.316 -5.621 -9.516 521 HA GLU 70 HA GLU 70 27.118 -5.598 -12.252 522 1HB GLU 70 2HB GLU 70 25.242 -6.975 -11.063 523 2HB GLU 70 1HB GLU 70 24.246 -5.566 -11.399 524 1HG GLU 70 2HG GLU 70 23.884 -7.068 -13.170 525 2HG GLU 70 1HG GLU 70 24.925 -5.797 -13.808 526 HA PRO 71 HA PRO 71 24.455 -1.602 -12.506 527 1HB PRO 71 2HB PRO 71 23.736 -0.350 -10.232 528 2HB PRO 71 1HB PRO 71 22.773 -1.658 -10.930 529 1HG PRO 71 2HG PRO 71 24.728 -1.746 -8.667 530 2HG PRO 71 1HG PRO 71 23.138 -2.518 -8.803 531 1HD PRO 71 2HD PRO 71 25.488 -3.831 -9.229 532 2HD PRO 71 1HD PRO 71 23.963 -4.281 -10.014 533 H ALA 72 H ALA 72 25.512 0.219 -13.034 534 HA ALA 72 HA ALA 72 27.794 1.025 -11.349 535 1HB ALA 72 1HB ALA 72 27.469 0.973 -14.330 536 2HB ALA 72 2HB ALA 72 28.745 0.268 -13.339 537 3HB ALA 72 3HB ALA 72 28.662 2.017 -13.556 538 H GLY 73 H GLY 73 26.340 2.400 -10.144 539 1HA GLY 73 2HA GLY 73 25.573 4.503 -9.622 540 2HA GLY 73 1HA GLY 73 26.332 5.072 -11.101 541 H SER 74 H SER 74 23.472 3.324 -9.925 542 HA SER 74 HA SER 74 21.696 4.962 -11.419 543 1HB SER 74 2HB SER 74 20.855 2.710 -12.653 544 2HB SER 74 1HB SER 74 21.972 3.856 -13.393 545 HG SER 74 HG SER 74 22.519 1.375 -12.175 546 H ASP 75 H ASP 75 21.863 1.578 -10.290 547 HA ASP 75 HA ASP 75 19.218 1.631 -9.230 548 1HB ASP 75 2HB ASP 75 21.173 -0.331 -9.763 549 2HB ASP 75 1HB ASP 75 20.837 -0.434 -8.038 550 H GLU 76 H GLU 76 22.449 1.906 -7.818 551 HA GLU 76 HA GLU 76 21.554 2.022 -5.121 552 1HB GLU 76 2HB GLU 76 23.826 2.687 -4.587 553 2HB GLU 76 1HB GLU 76 23.852 1.377 -5.760 554 1HG GLU 76 2HG GLU 76 23.889 3.553 -7.386 555 2HG GLU 76 1HG GLU 76 24.797 4.137 -5.991 556 H GLN 77 H GLN 77 22.740 4.183 -3.973 557 HA GLN 77 HA GLN 77 22.433 6.373 -3.444 558 1HB GLN 77 2HB GLN 77 22.984 6.365 -6.163 559 2HB GLN 77 1HB GLN 77 21.520 7.332 -6.043 560 1HG GLN 77 2HG GLN 77 22.755 8.590 -4.174 561 2HG GLN 77 1HG GLN 77 24.206 7.827 -4.823 562 1HE2 GLN 77 1HE2 GLN 77 23.678 10.614 -4.739 563 2HE2 GLN 77 2HE2 GLN 77 23.617 11.185 -6.369 564 H LYS 78 H LYS 78 20.790 7.474 -2.530 565 HA LYS 78 HA LYS 78 18.176 6.421 -2.631 566 1HB LYS 78 2HB LYS 78 19.393 8.876 -1.410 567 2HB LYS 78 1HB LYS 78 17.650 8.648 -1.388 568 1HG LYS 78 2HG LYS 78 18.100 7.660 0.583 569 2HG LYS 78 1HG LYS 78 18.417 6.261 -0.446 570 1HD LYS 78 2HD LYS 78 20.312 6.312 0.871 571 2HD LYS 78 1HD LYS 78 20.835 7.229 -0.543 572 1HE LYS 78 2HE LYS 78 20.617 9.283 0.574 573 2HE LYS 78 1HE LYS 78 19.650 8.573 1.865 574 1HZ LYS 78 1HZ LYS 78 22.558 8.301 1.398 575 2HZ LYS 78 2HZ LYS 78 21.714 7.235 2.404 576 3HZ LYS 78 3HZ LYS 78 21.764 8.884 2.775 577 H GLN 79 H GLN 79 17.334 6.466 -4.690 578 HA GLN 79 HA GLN 79 15.993 8.819 -5.484 579 1HB GLN 79 2HB GLN 79 18.623 8.268 -6.726 580 2HB GLN 79 1HB GLN 79 17.322 8.687 -7.831 581 1HG GLN 79 2HG GLN 79 17.249 10.506 -5.655 582 2HG GLN 79 1HG GLN 79 18.912 10.399 -6.231 583 1HE2 GLN 79 1HE2 GLN 79 18.573 12.631 -6.851 584 2HE2 GLN 79 2HE2 GLN 79 17.811 12.986 -8.361 585 H LEU 80 H LEU 80 14.155 8.016 -6.225 586 HA LEU 80 HA LEU 80 14.234 5.806 -8.146 587 1HB LEU 80 2HB LEU 80 13.322 5.601 -5.445 588 2HB LEU 80 1HB LEU 80 11.942 5.427 -6.512 589 HG LEU 80 HG LEU 80 13.481 3.712 -7.761 590 1HD1 LEU 80 1HD1 LEU 80 14.684 3.756 -4.998 591 2HD1 LEU 80 2HD1 LEU 80 15.502 4.165 -6.505 592 3HD1 LEU 80 3HD1 LEU 80 14.964 2.511 -6.215 593 1HD2 LEU 80 1HD2 LEU 80 12.504 2.728 -5.127 594 2HD2 LEU 80 2HD2 LEU 80 12.303 2.037 -6.736 595 3HD2 LEU 80 3HD2 LEU 80 11.346 3.436 -6.254 596 H ARG 81 H ARG 81 12.708 5.909 -9.731 597 HA ARG 81 HA ARG 81 11.158 6.830 -11.116 598 1HB ARG 81 2HB ARG 81 9.998 6.848 -8.477 599 2HB ARG 81 1HB ARG 81 9.429 8.238 -9.390 600 1HG ARG 81 2HG ARG 81 7.994 6.952 -10.471 601 2HG ARG 81 1HG ARG 81 9.324 5.973 -11.095 602 1HD ARG 81 2HD ARG 81 8.237 5.554 -8.331 603 2HD ARG 81 1HD ARG 81 7.478 4.806 -9.736 604 HE ARG 81 HE ARG 81 10.077 4.114 -10.001 605 1HH1 ARG 81 1HH1 ARG 81 7.796 3.850 -7.373 606 2HH1 ARG 81 2HH1 ARG 81 8.526 2.423 -6.717 607 1HH2 ARG 81 1HH2 ARG 81 11.040 2.239 -9.139 608 2HH2 ARG 81 2HH2 ARG 81 10.369 1.509 -7.719 609 H ALA 82 H ALA 82 9.891 9.063 -11.471 610 HA ALA 82 HA ALA 82 11.568 11.323 -10.692 611 1HB ALA 82 1HB ALA 82 12.691 11.084 -12.642 612 2HB ALA 82 2HB ALA 82 11.298 11.958 -13.279 613 3HB ALA 82 3HB ALA 82 11.376 10.202 -13.420 614 H ASP 83 H ASP 83 10.583 13.408 -11.207 615 HA ASP 83 HA ASP 83 7.892 13.561 -12.132 616 1HB ASP 83 2HB ASP 83 7.943 12.663 -9.607 617 2HB ASP 83 1HB ASP 83 8.037 14.390 -9.279 618 HA PRO 84 HA PRO 84 10.894 17.253 -12.454 619 1HB PRO 84 2HB PRO 84 9.309 17.785 -14.814 620 2HB PRO 84 1HB PRO 84 11.028 17.417 -14.698 621 1HG PRO 84 2HG PRO 84 8.796 15.648 -15.369 622 2HG PRO 84 1HG PRO 84 10.530 15.412 -15.624 623 1HD PRO 84 2HD PRO 84 9.085 14.000 -13.804 624 2HD PRO 84 1HD PRO 84 10.810 14.366 -13.599 625 HA PRO 85 HA PRO 85 6.633 19.818 -12.898 626 1HB PRO 85 2HB PRO 85 5.000 17.586 -11.761 627 2HB PRO 85 1HB PRO 85 4.529 18.858 -12.896 628 1HG PRO 85 2HG PRO 85 5.019 16.381 -13.748 629 2HG PRO 85 1HG PRO 85 5.506 17.792 -14.703 630 1HD PRO 85 2HD PRO 85 7.170 15.925 -13.102 631 2HD PRO 85 1HD PRO 85 7.587 16.854 -14.553 632 H SER 86 H SER 86 7.648 20.938 -11.233 633 HA SER 86 HA SER 86 7.999 20.037 -8.610 634 1HB SER 86 2HB SER 86 7.934 22.731 -9.908 635 2HB SER 86 1HB SER 86 7.926 22.636 -8.146 636 HG SER 86 HG SER 86 9.815 21.205 -8.446 637 H THR 87 H THR 87 5.237 21.445 -10.208 638 HA THR 87 HA THR 87 3.574 20.774 -7.926 639 HB THR 87 HB THR 87 3.040 23.485 -8.986 640 HG1 THR 87 1HG THR 87 5.199 22.998 -7.216 641 1HG2 THR 87 1HG2 THR 87 3.142 23.619 -6.252 642 2HG2 THR 87 2HG2 THR 87 2.562 21.981 -6.549 643 3HG2 THR 87 3HG2 THR 87 1.695 23.360 -7.225 644 H ASP 88 H ASP 88 1.210 21.874 -8.664 645 HA ASP 88 HA ASP 88 0.739 20.673 -11.311 646 1HB ASP 88 2HB ASP 88 -0.787 20.636 -8.766 647 2HB ASP 88 1HB ASP 88 -1.732 20.742 -10.248 648 H LEU 89 H LEU 89 0.232 23.480 -9.301 649 HA LEU 89 HA LEU 89 -1.047 24.838 -11.583 650 1HB LEU 89 2HB LEU 89 -1.364 25.336 -8.625 651 2HB LEU 89 1HB LEU 89 -1.989 26.404 -9.866 652 HG LEU 89 HG LEU 89 -3.789 25.038 -9.085 653 1HD1 LEU 89 1HD1 LEU 89 -2.820 24.025 -11.754 654 2HD1 LEU 89 2HD1 LEU 89 -3.760 25.491 -11.477 655 3HD1 LEU 89 3HD1 LEU 89 -4.470 23.912 -11.143 656 1HD2 LEU 89 1HD2 LEU 89 -2.695 22.463 -9.962 657 2HD2 LEU 89 2HD2 LEU 89 -3.647 22.868 -8.533 658 3HD2 LEU 89 3HD2 LEU 89 -1.907 23.152 -8.542 659 H ASN 90 H ASN 90 1.186 25.228 -8.859 660 HA ASN 90 HA ASN 90 2.064 27.798 -9.251 661 1HB ASN 90 2HB ASN 90 3.254 25.340 -8.120 662 2HB ASN 90 1HB ASN 90 4.396 26.608 -8.557 663 1HD2 ASN 90 1HD2 ASN 90 3.149 28.881 -7.958 664 2HD2 ASN 90 2HD2 ASN 90 2.768 28.961 -6.275 665 H THR 91 H THR 91 3.009 24.909 -11.065 666 HA THR 91 HA THR 91 5.170 26.017 -12.460 667 HB THR 91 HB THR 91 4.697 24.204 -14.139 668 HG1 THR 91 1HG THR 91 3.019 22.794 -13.687 669 1HG2 THR 91 1HG2 THR 91 6.117 23.331 -12.607 670 2HG2 THR 91 2HG2 THR 91 4.705 22.325 -12.280 671 3HG2 THR 91 3HG2 THR 91 5.061 23.708 -11.246 672 H PHE 92 H PHE 92 1.831 26.736 -12.776 673 HA PHE 92 HA PHE 92 2.123 27.638 -15.535 674 1HB PHE 92 2HB PHE 92 -0.282 27.576 -13.700 675 2HB PHE 92 1HB PHE 92 -0.307 28.155 -15.360 676 HD1 PHE 92 2HD PHE 92 0.796 25.148 -13.448 677 HD2 PHE 92 1HD PHE 92 -1.015 26.695 -16.974 678 HE1 PHE 92 2HE PHE 92 0.385 22.854 -14.239 679 HE2 PHE 92 1HE PHE 92 -1.429 24.404 -17.772 680 HZ PHE 92 HZ PHE 92 -0.728 22.480 -16.403 681 H THR 93 H THR 93 2.326 29.724 -16.118 682 HA THR 93 HA THR 93 2.965 31.641 -14.105 683 HB THR 93 HB THR 93 3.039 33.189 -16.206 684 HG1 THR 93 1HG THR 93 3.095 32.130 -18.127 685 1HG2 THR 93 1HG2 THR 93 5.120 32.644 -15.384 686 2HG2 THR 93 2HG2 THR 93 5.162 31.966 -17.012 687 3HG2 THR 93 3HG2 THR 93 4.877 30.914 -15.625 688 H VAL 94 H VAL 94 1.024 32.716 -16.799 689 HA VAL 94 HA VAL 94 -1.418 32.967 -15.343 690 HB VAL 94 HB VAL 94 -1.387 35.550 -15.588 691 1HG1 VAL 94 1HG1 VAL 94 -1.194 35.643 -13.347 692 2HG1 VAL 94 2HG1 VAL 94 0.368 34.824 -13.341 693 3HG1 VAL 94 3HG1 VAL 94 -1.120 33.886 -13.482 694 1HG2 VAL 94 1HG2 VAL 94 0.603 36.054 -16.664 695 2HG2 VAL 94 2HG2 VAL 94 1.526 34.873 -15.734 696 3HG2 VAL 94 3HG2 VAL 94 0.992 36.373 -14.975 697 H GLU 95 H GLU 95 0.579 34.021 -18.042 698 HA GLU 95 HA GLU 95 -1.689 34.676 -19.696 699 1HB GLU 95 2HB GLU 95 0.339 35.957 -19.991 700 2HB GLU 95 1HB GLU 95 1.270 34.495 -20.285 701 1HG GLU 95 2HG GLU 95 -0.119 34.114 -22.320 702 2HG GLU 95 1HG GLU 95 -0.845 35.697 -22.051 703 H GLN 96 H GLN 96 0.175 31.892 -18.965 704 HA GLN 96 HA GLN 96 -0.180 30.455 -21.376 705 1HB GLN 96 2HB GLN 96 1.006 30.012 -18.803 706 2HB GLN 96 1HB GLN 96 -0.053 28.654 -19.166 707 1HG GLN 96 2HG GLN 96 1.284 28.990 -21.528 708 2HG GLN 96 1HG GLN 96 2.514 29.401 -20.333 709 1HE2 GLN 96 1HE2 GLN 96 3.647 27.517 -21.009 710 2HE2 GLN 96 2HE2 GLN 96 3.177 25.957 -20.434 711 H LEU 97 H LEU 97 -1.852 30.369 -18.276 712 HA LEU 97 HA LEU 97 -3.843 28.534 -18.927 713 1HB LEU 97 2HB LEU 97 -5.138 30.265 -17.248 714 2HB LEU 97 1HB LEU 97 -4.145 28.920 -16.756 715 HG LEU 97 HG LEU 97 -2.458 31.195 -17.172 716 1HD1 LEU 97 1HD1 LEU 97 -4.551 31.704 -15.105 717 2HD1 LEU 97 2HD1 LEU 97 -4.661 32.372 -16.729 718 3HD1 LEU 97 3HD1 LEU 97 -3.300 32.790 -15.693 719 1HD2 LEU 97 1HD2 LEU 97 -2.576 30.660 -14.477 720 2HD2 LEU 97 2HD2 LEU 97 -1.486 29.908 -15.639 721 3HD2 LEU 97 3HD2 LEU 97 -3.011 29.127 -15.221 722 H LYS 98 H LYS 98 -4.108 32.083 -18.887 723 HA LYS 98 HA LYS 98 -6.564 32.420 -20.056 724 1HB LYS 98 2HB LYS 98 -4.335 34.042 -19.555 725 2HB LYS 98 1HB LYS 98 -4.686 34.259 -21.264 726 1HG LYS 98 2HG LYS 98 -5.874 35.933 -20.091 727 2HG LYS 98 1HG LYS 98 -7.060 34.738 -20.619 728 1HD LYS 98 2HD LYS 98 -7.553 35.356 -18.351 729 2HD LYS 98 1HD LYS 98 -6.939 33.703 -18.362 730 1HE LYS 98 2HE LYS 98 -6.076 35.476 -16.615 731 2HE LYS 98 1HE LYS 98 -4.991 34.271 -17.307 732 1HZ LYS 98 1HZ LYS 98 -4.180 35.892 -18.859 733 2HZ LYS 98 2HZ LYS 98 -4.070 36.544 -17.302 734 3HZ LYS 98 3HZ LYS 98 -5.310 37.040 -18.341 735 H ALA 99 H ALA 99 -3.538 31.608 -21.708 736 HA ALA 99 HA ALA 99 -4.832 31.669 -24.296 737 1HB ALA 99 1HB ALA 99 -2.087 30.589 -23.800 738 2HB ALA 99 2HB ALA 99 -2.398 32.325 -23.806 739 3HB ALA 99 3HB ALA 99 -2.727 31.367 -25.249 740 H GLN 100 H GLN 100 -4.206 29.405 -21.858 741 HA GLN 100 HA GLN 100 -4.467 27.095 -23.582 742 1HB GLN 100 2HB GLN 100 -3.928 27.516 -20.674 743 2HB GLN 100 1HB GLN 100 -4.536 25.955 -21.206 744 1HG GLN 100 2HG GLN 100 -2.159 27.195 -22.526 745 2HG GLN 100 1HG GLN 100 -1.996 26.312 -21.009 746 1HE2 GLN 100 1HE2 GLN 100 -2.952 26.070 -24.371 747 2HE2 GLN 100 2HE2 GLN 100 -2.772 24.356 -24.497 748 H LEU 101 H LEU 101 -6.341 28.617 -20.963 749 HA LEU 101 HA LEU 101 -8.466 26.861 -20.858 750 1HB LEU 101 2HB LEU 101 -8.160 29.777 -20.336 751 2HB LEU 101 1HB LEU 101 -9.793 29.157 -20.465 752 HG LEU 101 HG LEU 101 -7.720 28.606 -18.377 753 1HD1 LEU 101 1HD1 LEU 101 -10.613 29.410 -18.378 754 2HD1 LEU 101 2HD1 LEU 101 -9.219 30.353 -17.853 755 3HD1 LEU 101 3HD1 LEU 101 -9.735 28.948 -16.920 756 1HD2 LEU 101 1HD2 LEU 101 -9.666 26.889 -17.652 757 2HD2 LEU 101 2HD2 LEU 101 -8.208 26.406 -18.518 758 3HD2 LEU 101 3HD2 LEU 101 -9.707 26.684 -19.403 759 H THR 102 H THR 102 -8.030 29.688 -22.941 760 HA THR 102 HA THR 102 -10.452 29.463 -24.351 761 HB THR 102 HB THR 102 -8.765 30.611 -26.168 762 HG1 THR 102 1HG THR 102 -6.927 30.587 -25.025 763 1HG2 THR 102 1HG2 THR 102 -10.677 31.774 -25.485 764 2HG2 THR 102 2HG2 THR 102 -9.309 32.791 -25.030 765 3HG2 THR 102 3HG2 THR 102 -10.141 31.830 -23.806 766 H GLU 103 H GLU 103 -7.232 28.137 -24.918 767 HA GLU 103 HA GLU 103 -7.961 26.927 -27.389 768 1HB GLU 103 2HB GLU 103 -5.572 27.444 -26.102 769 2HB GLU 103 1HB GLU 103 -5.693 25.692 -26.031 770 1HG GLU 103 2HG GLU 103 -6.355 26.737 -28.653 771 2HG GLU 103 1HG GLU 103 -4.733 27.190 -28.135 772 H ARG 104 H ARG 104 -8.776 26.212 -24.279 773 HA ARG 104 HA ARG 104 -9.028 23.332 -24.802 774 1HB ARG 104 2HB ARG 104 -8.457 24.899 -22.421 775 2HB ARG 104 1HB ARG 104 -9.799 23.793 -22.163 776 1HG ARG 104 2HG ARG 104 -8.412 21.925 -22.894 777 2HG ARG 104 1HG ARG 104 -7.065 23.031 -23.167 778 1HD ARG 104 2HD ARG 104 -7.363 23.687 -20.706 779 2HD ARG 104 1HD ARG 104 -8.341 22.227 -20.573 780 HE ARG 104 HE ARG 104 -5.481 22.386 -20.813 781 1HH1 ARG 104 1HH1 ARG 104 -8.288 20.374 -21.320 782 2HH1 ARG 104 2HH1 ARG 104 -7.394 18.892 -21.246 783 1HH2 ARG 104 1HH2 ARG 104 -4.305 20.440 -20.713 784 2HH2 ARG 104 2HH2 ARG 104 -5.133 18.929 -20.901 785 H GLY 105 H GLY 105 -10.796 26.237 -24.665 786 1HA GLY 105 2HA GLY 105 -13.021 26.589 -25.180 787 2HA GLY 105 1HA GLY 105 -13.249 24.849 -25.234 788 H ILE 106 H ILE 106 -12.724 27.506 -22.911 789 HA ILE 106 HA ILE 106 -14.654 26.184 -21.142 790 HB ILE 106 HB ILE 106 -12.106 26.132 -20.485 791 1HG1 ILE 106 2HG1 ILE 106 -13.176 26.832 -18.019 792 2HG1 ILE 106 1HG1 ILE 106 -14.576 26.319 -18.956 793 1HG2 ILE 106 1HG2 ILE 106 -12.234 28.788 -20.722 794 2HG2 ILE 106 2HG2 ILE 106 -11.133 27.972 -19.614 795 3HG2 ILE 106 3HG2 ILE 106 -12.652 28.636 -19.016 796 1HD1 ILE 106 1HD1 ILE 106 -12.080 24.671 -18.739 797 2HD1 ILE 106 2HD1 ILE 106 -13.674 24.174 -19.306 798 3HD1 ILE 106 3HD1 ILE 106 -13.420 24.543 -17.600 799 H THR 107 H THR 107 -14.577 28.290 -19.196 800 HA THR 107 HA THR 107 -15.415 30.663 -20.679 801 HB THR 107 HB THR 107 -17.377 30.694 -18.892 802 HG1 THR 107 1HG THR 107 -17.319 28.861 -17.850 803 1HG2 THR 107 1HG2 THR 107 -18.099 28.794 -20.981 804 2HG2 THR 107 2HG2 THR 107 -17.298 30.248 -21.577 805 3HG2 THR 107 3HG2 THR 107 -18.764 30.384 -20.605 806 H PHE 108 H PHE 108 -14.299 32.301 -19.871 807 HA PHE 108 HA PHE 108 -14.036 32.544 -16.962 808 1HB PHE 108 2HB PHE 108 -11.669 33.268 -17.236 809 2HB PHE 108 1HB PHE 108 -11.931 31.581 -17.664 810 HD1 PHE 108 2HD PHE 108 -12.538 31.239 -20.244 811 HD2 PHE 108 1HD PHE 108 -10.349 34.511 -18.631 812 HE1 PHE 108 2HE PHE 108 -11.523 31.638 -22.447 813 HE2 PHE 108 1HE PHE 108 -9.327 34.917 -20.832 814 HZ PHE 108 HZ PHE 108 -9.913 33.480 -22.743 815 H LYS 109 H LYS 109 -15.210 34.323 -16.605 816 HA LYS 109 HA LYS 109 -14.287 36.864 -17.351 817 1HB LYS 109 2HB LYS 109 -15.457 35.852 -19.504 818 2HB LYS 109 1HB LYS 109 -16.916 36.387 -18.682 819 1HG LYS 109 2HG LYS 109 -14.908 38.453 -18.655 820 2HG LYS 109 1HG LYS 109 -15.234 37.903 -20.299 821 1HD LYS 109 2HD LYS 109 -17.537 38.417 -20.112 822 2HD LYS 109 1HD LYS 109 -17.423 38.624 -18.364 823 1HE LYS 109 2HE LYS 109 -15.760 40.361 -20.120 824 2HE LYS 109 1HE LYS 109 -17.487 40.696 -19.996 825 1HZ LYS 109 1HZ LYS 109 -16.829 41.898 -18.233 826 2HZ LYS 109 2HZ LYS 109 -15.389 41.036 -18.023 827 3HZ LYS 109 3HZ LYS 109 -16.843 40.410 -17.428 828 H GLN 110 H GLN 110 -15.136 35.500 -15.016 829 HA GLN 110 HA GLN 110 -16.686 37.485 -13.782 830 1HB GLN 110 2HB GLN 110 -18.696 36.017 -13.254 831 2HB GLN 110 1HB GLN 110 -18.615 36.678 -14.882 832 1HG GLN 110 2HG GLN 110 -17.338 34.296 -15.196 833 2HG GLN 110 1HG GLN 110 -18.537 33.902 -13.967 834 1HE2 GLN 110 1HE2 GLN 110 -18.326 35.733 -17.003 835 2HE2 GLN 110 2HE2 GLN 110 -19.819 35.155 -17.654 836 H SER 111 H SER 111 -16.097 33.973 -13.672 837 HA SER 111 HA SER 111 -15.557 34.206 -10.799 838 1HB SER 111 2HB SER 111 -15.797 31.783 -10.707 839 2HB SER 111 1HB SER 111 -17.190 32.478 -11.536 840 HG SER 111 HG SER 111 -16.545 31.619 -13.384 841 H ALA 112 H ALA 112 -14.203 32.334 -13.531 842 HA ALA 112 HA ALA 112 -11.667 32.051 -12.264 843 1HB ALA 112 1HB ALA 112 -12.483 31.604 -15.133 844 2HB ALA 112 2HB ALA 112 -12.404 30.391 -13.855 845 3HB ALA 112 3HB ALA 112 -10.924 31.150 -14.444 846 H THR 113 H THR 113 -11.718 34.508 -11.847 847 HA THR 113 HA THR 113 -11.177 36.335 -13.892 848 HB THR 113 HB THR 113 -10.053 36.664 -11.129 849 HG1 THR 113 1HG THR 113 -11.962 36.321 -10.361 850 1HG2 THR 113 1HG2 THR 113 -10.289 38.891 -11.441 851 2HG2 THR 113 2HG2 THR 113 -11.668 38.705 -12.526 852 3HG2 THR 113 3HG2 THR 113 -10.034 38.394 -13.115 853 H LYS 114 H LYS 114 -8.743 35.409 -11.452 854 HA LYS 114 HA LYS 114 -6.839 34.877 -13.576 855 1HB LYS 114 2HB LYS 114 -5.154 36.383 -12.346 856 2HB LYS 114 1HB LYS 114 -6.351 37.150 -13.381 857 1HG LYS 114 2HG LYS 114 -7.734 37.390 -11.213 858 2HG LYS 114 1HG LYS 114 -6.199 37.092 -10.397 859 1HD LYS 114 2HD LYS 114 -6.005 39.064 -12.541 860 2HD LYS 114 1HD LYS 114 -7.118 39.537 -11.255 861 1HE LYS 114 2HE LYS 114 -5.451 39.496 -9.630 862 2HE LYS 114 1HE LYS 114 -4.391 38.481 -10.607 863 1HZ LYS 114 1HZ LYS 114 -3.576 40.245 -11.713 864 2HZ LYS 114 2HZ LYS 114 -4.076 41.105 -10.346 865 3HZ LYS 114 3HZ LYS 114 -5.048 41.078 -11.729 866 H ALA 115 H ALA 115 -6.994 35.341 -10.048 867 HA ALA 115 HA ALA 115 -4.988 33.406 -9.534 868 1HB ALA 115 1HB ALA 115 -7.081 34.267 -7.557 869 2HB ALA 115 2HB ALA 115 -5.730 35.304 -8.012 870 3HB ALA 115 3HB ALA 115 -5.425 33.746 -7.246 871 H GLU 116 H GLU 116 -8.370 33.200 -10.143 872 HA GLU 116 HA GLU 116 -8.631 30.570 -8.962 873 1HB GLU 116 2HB GLU 116 -10.617 32.046 -10.686 874 2HB GLU 116 1HB GLU 116 -10.943 30.673 -9.638 875 1HG GLU 116 2HG GLU 116 -9.759 32.734 -8.080 876 2HG GLU 116 1HG GLU 116 -11.069 33.430 -9.033 877 H LEU 117 H LEU 117 -8.307 31.960 -12.191 878 HA LEU 117 HA LEU 117 -8.821 29.465 -13.494 879 1HB LEU 117 2HB LEU 117 -8.865 30.642 -15.369 880 2HB LEU 117 1HB LEU 117 -8.755 32.060 -14.365 881 HG LEU 117 HG LEU 117 -6.152 30.957 -15.087 882 1HD1 LEU 117 1HD1 LEU 117 -6.356 31.835 -17.412 883 2HD1 LEU 117 2HD1 LEU 117 -8.099 31.865 -17.187 884 3HD1 LEU 117 3HD1 LEU 117 -7.224 30.335 -17.114 885 1HD2 LEU 117 1HD2 LEU 117 -6.080 33.065 -14.155 886 2HD2 LEU 117 2HD2 LEU 117 -7.540 33.599 -14.987 887 3HD2 LEU 117 3HD2 LEU 117 -6.029 33.426 -15.878 888 H ILE 118 H ILE 118 -5.967 31.191 -12.436 889 HA ILE 118 HA ILE 118 -4.092 29.552 -13.740 890 HB ILE 118 HB ILE 118 -2.424 30.505 -12.343 891 1HG1 ILE 118 2HG1 ILE 118 -3.401 32.063 -10.394 892 2HG1 ILE 118 1HG1 ILE 118 -4.666 30.839 -10.418 893 1HG2 ILE 118 1HG2 ILE 118 -2.776 32.317 -13.590 894 2HG2 ILE 118 2HG2 ILE 118 -3.561 32.993 -12.164 895 3HG2 ILE 118 3HG2 ILE 118 -4.525 32.204 -13.408 896 1HD1 ILE 118 1HD1 ILE 118 -1.884 30.669 -9.506 897 2HD1 ILE 118 2HD1 ILE 118 -2.481 29.270 -10.397 898 3HD1 ILE 118 3HD1 ILE 118 -3.322 29.816 -8.946 899 H ALA 119 H ALA 119 -5.792 29.280 -10.670 900 HA ALA 119 HA ALA 119 -4.250 26.966 -9.842 901 1HB ALA 119 1HB ALA 119 -5.152 27.249 -7.782 902 2HB ALA 119 2HB ALA 119 -6.731 27.714 -8.413 903 3HB ALA 119 3HB ALA 119 -5.408 28.880 -8.402 904 H LEU 120 H LEU 120 -7.295 27.646 -11.381 905 HA LEU 120 HA LEU 120 -8.585 25.196 -10.870 906 1HB LEU 120 2HB LEU 120 -9.907 27.009 -11.606 907 2HB LEU 120 1HB LEU 120 -8.899 27.276 -13.011 908 HG LEU 120 HG LEU 120 -11.211 26.234 -13.368 909 1HD1 LEU 120 1HD1 LEU 120 -10.447 25.601 -15.362 910 2HD1 LEU 120 2HD1 LEU 120 -9.355 24.402 -14.667 911 3HD1 LEU 120 3HD1 LEU 120 -8.861 26.092 -14.764 912 1HD2 LEU 120 1HD2 LEU 120 -10.213 23.543 -13.092 913 2HD2 LEU 120 2HD2 LEU 120 -11.711 24.254 -12.493 914 3HD2 LEU 120 3HD2 LEU 120 -10.237 24.370 -11.534 915 H PHE 121 H PHE 121 -6.199 26.124 -13.264 916 HA PHE 121 HA PHE 121 -6.588 24.031 -15.090 917 1HB PHE 121 2HB PHE 121 -4.538 26.031 -14.546 918 2HB PHE 121 1HB PHE 121 -3.860 24.520 -15.144 919 HD1 PHE 121 2HD PHE 121 -4.995 23.534 -17.268 920 HD2 PHE 121 1HD PHE 121 -5.340 27.582 -16.027 921 HE1 PHE 121 2HE PHE 121 -5.585 24.182 -19.561 922 HE2 PHE 121 1HE PHE 121 -5.920 28.244 -18.308 923 HZ PHE 121 HZ PHE 121 -6.050 26.539 -20.086 924 H ALA 122 H ALA 122 -7.018 22.184 -13.763 925 HA ALA 122 HA ALA 122 -4.562 20.931 -12.722 926 1HB ALA 122 1HB ALA 122 -5.569 20.242 -10.809 927 2HB ALA 122 2HB ALA 122 -7.159 20.107 -11.562 928 3HB ALA 122 3HB ALA 122 -6.534 21.690 -11.099 929 HA PRO 123 HA PRO 123 -6.391 18.301 -16.118 930 1HB PRO 123 2HB PRO 123 -3.547 17.896 -16.761 931 2HB PRO 123 1HB PRO 123 -4.872 18.406 -17.810 932 1HG PRO 123 2HG PRO 123 -2.942 20.110 -17.042 933 2HG PRO 123 1HG PRO 123 -4.622 20.635 -17.269 934 1HD PRO 123 2HD PRO 123 -3.151 20.023 -14.731 935 2HD PRO 123 1HD PRO 123 -4.290 21.339 -15.085 936 H ALA 124 H ALA 124 -6.912 16.299 -15.522 937 HA ALA 124 HA ALA 124 -4.876 14.458 -14.596 938 1HB ALA 124 1HB ALA 124 -5.382 15.287 -12.471 939 2HB ALA 124 2HB ALA 124 -6.358 13.824 -12.604 940 3HB ALA 124 3HB ALA 124 -7.105 15.406 -12.826 941 H ASP 125 H ASP 125 -5.204 12.678 -15.737 942 HA ASP 125 HA ASP 125 -7.813 12.107 -16.865 943 1HB ASP 125 2HB ASP 125 -5.288 11.757 -17.820 944 2HB ASP 125 1HB ASP 125 -5.645 10.136 -17.229 945 H GLY 126 H GLY 126 -9.256 11.129 -15.601 946 1HA GLY 126 2HA GLY 126 -8.691 9.649 -13.294 947 2HA GLY 126 1HA GLY 126 -10.211 9.607 -14.174 948 H GLU 127 H GLU 127 -10.599 7.965 -15.659 949 HA GLU 127 HA GLU 127 -8.547 5.968 -16.133 950 1HB GLU 127 2HB GLU 127 -10.263 4.164 -15.393 951 2HB GLU 127 1HB GLU 127 -9.286 4.967 -14.174 952 1HG GLU 127 2HG GLU 127 -11.692 6.453 -14.589 953 2HG GLU 127 1HG GLU 127 -12.086 4.759 -14.301 954 H LYS 128 H LYS 128 -11.984 6.795 -16.488 955 HA LYS 128 HA LYS 128 -11.837 5.801 -19.258 956 1HB LYS 128 2HB LYS 128 -14.015 5.502 -17.212 957 2HB LYS 128 1HB LYS 128 -14.390 5.458 -18.930 958 1HG LYS 128 2HG LYS 128 -12.660 3.625 -19.126 959 2HG LYS 128 1HG LYS 128 -12.658 3.571 -17.363 960 1HD LYS 128 2HD LYS 128 -15.105 3.168 -17.422 961 2HD LYS 128 1HD LYS 128 -15.017 3.100 -19.184 962 1HE LYS 128 2HE LYS 128 -13.630 1.163 -19.115 963 2HE LYS 128 1HE LYS 128 -13.411 1.309 -17.373 964 1HZ LYS 128 1HZ LYS 128 -15.052 -0.209 -17.342 965 2HZ LYS 128 2HZ LYS 128 -15.637 0.206 -18.874 966 3HZ LYS 128 3HZ LYS 128 -16.061 1.136 -17.528 967 H SER 129 H SER 129 -11.221 7.986 -19.818 968 HA SER 129 HA SER 129 -13.117 10.118 -19.383 969 1HB SER 129 2HB SER 129 -11.537 11.455 -20.773 970 2HB SER 129 1HB SER 129 -10.753 10.667 -19.404 971 HG SER 129 HG SER 129 -9.707 9.357 -20.731 972 H GLU 130 H GLU 130 -14.022 11.375 -21.176 973 HA GLU 130 HA GLU 130 -14.921 9.592 -23.327 974 1HB GLU 130 2HB GLU 130 -16.493 10.910 -21.681 975 2HB GLU 130 1HB GLU 130 -16.177 12.250 -22.775 976 1HG GLU 130 2HG GLU 130 -17.140 11.103 -24.606 977 2HG GLU 130 1HG GLU 130 -17.196 9.585 -23.711 978 H ALA 131 H ALA 131 -15.352 10.661 -25.457 979 HA ALA 131 HA ALA 131 -12.975 11.864 -26.421 980 1HB ALA 131 1HB ALA 131 -14.543 10.385 -27.723 981 2HB ALA 131 2HB ALA 131 -13.998 11.838 -28.560 982 3HB ALA 131 3HB ALA 131 -15.617 11.777 -27.861 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 5.436 0.712 21.594 2 2H GLY 1 2HT GLY 1 5.212 1.555 20.144 3 3H GLY 1 3HT GLY 1 4.419 2.063 21.550 4 1HA GLY 1 1HA GLY 1 6.099 3.549 21.617 5 2HA GLY 1 2HA GLY 1 6.879 2.211 22.447 6 H SER 2 H SER 2 8.913 2.021 21.808 7 HA SER 2 HA SER 2 10.767 1.890 20.499 8 1HB SER 2 2HB SER 2 8.582 0.939 18.723 9 2HB SER 2 1HB SER 2 10.111 1.354 17.948 10 HG SER 2 HG SER 2 9.601 -0.894 19.021 11 H HIS 3 H HIS 3 11.084 4.172 20.856 12 HA HIS 3 HA HIS 3 10.233 5.997 18.764 13 1HB HIS 3 2HB HIS 3 10.623 6.358 21.423 14 2HB HIS 3 1HB HIS 3 12.169 6.924 20.799 15 HD1 HIS 3 1HD HIS 3 11.774 8.721 18.661 16 HD2 HIS 3 2HD HIS 3 8.803 8.341 21.542 17 HE1 HIS 3 1HE HIS 3 10.390 10.811 18.477 18 HE2 HIS 3 2HE HIS 3 8.546 10.518 20.169 19 H MET 4 H MET 4 13.376 5.144 20.229 20 HA MET 4 HA MET 4 14.594 5.142 17.584 21 1HB MET 4 2HB MET 4 15.300 7.062 19.782 22 2HB MET 4 1HB MET 4 16.514 6.555 18.617 23 1HG MET 4 2HG MET 4 14.433 7.257 16.998 24 2HG MET 4 1HG MET 4 14.282 8.410 18.322 25 1HE MET 4 1HE MET 4 14.980 10.316 18.289 26 2HE MET 4 2HE MET 4 15.506 10.946 16.728 27 3HE MET 4 3HE MET 4 16.639 10.874 18.077 28 H ASP 5 H ASP 5 15.190 3.038 17.683 29 HA ASP 5 HA ASP 5 17.159 2.334 19.742 30 1HB ASP 5 2HB ASP 5 14.646 1.362 19.903 31 2HB ASP 5 1HB ASP 5 15.367 0.152 18.845 32 H LYS 6 H LYS 6 15.669 1.313 16.674 33 HA LYS 6 HA LYS 6 18.314 0.899 15.549 34 1HB LYS 6 2HB LYS 6 16.270 -1.327 15.645 35 2HB LYS 6 1HB LYS 6 17.792 -1.377 14.766 36 1HG LYS 6 2HG LYS 6 19.004 -1.151 16.894 37 2HG LYS 6 1HG LYS 6 17.463 -1.168 17.753 38 1HD LYS 6 2HD LYS 6 17.002 -3.405 16.820 39 2HD LYS 6 1HD LYS 6 18.582 -3.384 16.036 40 1HE LYS 6 2HE LYS 6 18.952 -2.745 18.779 41 2HE LYS 6 1HE LYS 6 17.921 -4.172 18.687 42 1HZ LYS 6 1HZ LYS 6 20.377 -4.596 18.746 43 2HZ LYS 6 2HZ LYS 6 20.467 -3.937 17.191 44 3HZ LYS 6 3HZ LYS 6 19.549 -5.331 17.466 45 H THR 7 H THR 7 18.279 0.607 13.222 46 HA THR 7 HA THR 7 15.826 1.699 11.998 47 HB THR 7 HB THR 7 18.031 2.162 10.284 48 HG1 THR 7 1HG THR 7 18.531 3.002 12.947 49 1HG2 THR 7 1HG2 THR 7 17.322 4.312 10.288 50 2HG2 THR 7 2HG2 THR 7 17.014 4.328 12.024 51 3HG2 THR 7 3HG2 THR 7 15.880 3.527 10.936 52 H PHE 8 H PHE 8 15.030 0.738 10.173 53 HA PHE 8 HA PHE 8 16.569 -1.400 8.920 54 1HB PHE 8 2HB PHE 8 14.379 -2.809 9.009 55 2HB PHE 8 1HB PHE 8 15.467 -2.796 10.391 56 HD1 PHE 8 2HD PHE 8 13.318 0.100 9.685 57 HD2 PHE 8 1HD PHE 8 13.729 -3.529 11.877 58 HE1 PHE 8 2HE PHE 8 11.468 0.777 11.149 59 HE2 PHE 8 1HE PHE 8 11.874 -2.855 13.344 60 HZ PHE 8 HZ PHE 8 10.742 -0.700 12.984 61 H CYS 9 H CYS 9 16.045 -1.853 6.824 62 HA CYS 9 HA CYS 9 14.242 0.061 5.527 63 1HB CYS 9 2HB CYS 9 15.293 -0.794 3.417 64 2HB CYS 9 1HB CYS 9 16.447 -0.073 4.535 65 HG CYS 9 HG CYS 9 17.661 -2.195 4.626 66 H VAL 10 H VAL 10 12.224 -0.603 5.015 67 HA VAL 10 HA VAL 10 11.721 -3.503 4.904 68 HB VAL 10 HB VAL 10 10.460 -1.603 6.448 69 1HG1 VAL 10 1HG1 VAL 10 9.243 -0.648 4.590 70 2HG1 VAL 10 2HG1 VAL 10 8.130 -1.519 5.640 71 3HG1 VAL 10 3HG1 VAL 10 8.650 -2.240 4.121 72 1HG2 VAL 10 1HG2 VAL 10 10.499 -4.302 6.193 73 2HG2 VAL 10 2HG2 VAL 10 8.810 -3.935 5.849 74 3HG2 VAL 10 3HG2 VAL 10 9.536 -3.415 7.368 75 H VAL 11 H VAL 11 10.317 -4.340 3.320 76 HA VAL 11 HA VAL 11 9.766 -2.566 1.060 77 HB VAL 11 HB VAL 11 11.774 -3.660 0.461 78 1HG1 VAL 11 1HG1 VAL 11 11.912 -6.159 0.389 79 2HG1 VAL 11 2HG1 VAL 11 10.422 -6.191 1.335 80 3HG1 VAL 11 3HG1 VAL 11 11.874 -5.441 1.999 81 1HG2 VAL 11 1HG2 VAL 11 11.065 -4.027 -1.618 82 2HG2 VAL 11 2HG2 VAL 11 9.413 -3.946 -1.007 83 3HG2 VAL 11 3HG2 VAL 11 10.231 -5.502 -1.130 84 H VAL 12 H VAL 12 7.734 -2.662 0.450 85 HA VAL 12 HA VAL 12 6.049 -4.859 1.393 86 HB VAL 12 HB VAL 12 4.199 -3.322 0.420 87 1HG1 VAL 12 1HG1 VAL 12 4.538 -1.776 2.502 88 2HG1 VAL 12 2HG1 VAL 12 5.843 -2.904 2.866 89 3HG1 VAL 12 3HG1 VAL 12 4.187 -3.492 2.708 90 1HG2 VAL 12 1HG2 VAL 12 6.167 -1.920 -0.670 91 2HG2 VAL 12 2HG2 VAL 12 6.106 -1.093 0.885 92 3HG2 VAL 12 3HG2 VAL 12 4.669 -1.161 -0.134 93 H GLN 13 H GLN 13 6.092 -6.549 0.027 94 HA GLN 13 HA GLN 13 5.951 -6.072 -2.856 95 1HB GLN 13 2HB GLN 13 7.561 -7.756 -1.695 96 2HB GLN 13 1HB GLN 13 6.139 -8.783 -1.574 97 1HG GLN 13 2HG GLN 13 6.545 -7.679 -4.239 98 2HG GLN 13 1HG GLN 13 7.877 -8.690 -3.682 99 1HE2 GLN 13 1HE2 GLN 13 7.285 -10.836 -2.846 100 2HE2 GLN 13 2HE2 GLN 13 5.969 -11.672 -3.590 101 H ASN 14 H ASN 14 3.907 -5.734 -3.530 102 HA ASN 14 HA ASN 14 1.743 -7.228 -2.263 103 1HB ASN 14 2HB ASN 14 0.220 -5.682 -3.284 104 2HB ASN 14 1HB ASN 14 1.528 -4.753 -2.575 105 1HD2 ASN 14 1HD2 ASN 14 -0.404 -4.952 -5.157 106 2HD2 ASN 14 2HD2 ASN 14 0.594 -4.206 -6.354 107 H ARG 15 H ARG 15 1.098 -9.052 -3.095 108 HA ARG 15 HA ARG 15 1.504 -9.562 -5.960 109 1HB ARG 15 2HB ARG 15 1.581 -11.216 -3.558 110 2HB ARG 15 1HB ARG 15 0.547 -11.908 -4.799 111 1HG ARG 15 2HG ARG 15 2.802 -11.143 -6.194 112 2HG ARG 15 1HG ARG 15 3.440 -11.741 -4.663 113 1HD ARG 15 2HD ARG 15 1.342 -13.442 -5.747 114 2HD ARG 15 1HD ARG 15 2.712 -13.271 -6.843 115 HE ARG 15 HE ARG 15 4.006 -14.472 -5.375 116 1HH1 ARG 15 1HH1 ARG 15 1.025 -13.566 -3.801 117 2HH1 ARG 15 2HH1 ARG 15 1.300 -14.577 -2.423 118 1HH2 ARG 15 1HH2 ARG 15 4.367 -15.802 -3.564 119 2HH2 ARG 15 2HH2 ARG 15 3.197 -15.845 -2.288 120 H ILE 16 H ILE 16 -0.554 -7.842 -4.819 121 HA ILE 16 HA ILE 16 -3.055 -9.254 -5.037 122 HB ILE 16 HB ILE 16 -2.248 -6.430 -4.426 123 1HG1 ILE 16 2HG1 ILE 16 -4.200 -8.003 -2.833 124 2HG1 ILE 16 1HG1 ILE 16 -2.522 -8.540 -2.822 125 1HG2 ILE 16 1HG2 ILE 16 -4.096 -5.945 -5.764 126 2HG2 ILE 16 2HG2 ILE 16 -4.743 -5.988 -4.126 127 3HG2 ILE 16 3HG2 ILE 16 -4.988 -7.361 -5.207 128 1HD1 ILE 16 1HD1 ILE 16 -2.169 -5.921 -2.369 129 2HD1 ILE 16 2HD1 ILE 16 -2.385 -7.119 -1.092 130 3HD1 ILE 16 3HD1 ILE 16 -3.756 -6.152 -1.635 131 H LYS 17 H LYS 17 -2.183 -6.177 -6.612 132 HA LYS 17 HA LYS 17 -2.627 -7.280 -9.244 133 1HB LYS 17 2HB LYS 17 -4.446 -5.062 -8.295 134 2HB LYS 17 1HB LYS 17 -4.507 -5.912 -9.833 135 1HG LYS 17 2HG LYS 17 -5.188 -7.948 -8.709 136 2HG LYS 17 1HG LYS 17 -5.063 -7.146 -7.147 137 1HD LYS 17 2HD LYS 17 -6.918 -6.307 -9.369 138 2HD LYS 17 1HD LYS 17 -7.386 -7.286 -7.977 139 1HE LYS 17 2HE LYS 17 -6.129 -5.116 -6.833 140 2HE LYS 17 1HE LYS 17 -6.998 -4.408 -8.194 141 1HZ LYS 17 1HZ LYS 17 -8.136 -4.757 -5.870 142 2HZ LYS 17 2HZ LYS 17 -8.435 -6.302 -6.489 143 3HZ LYS 17 3HZ LYS 17 -9.007 -4.938 -7.309 144 H GLU 18 H GLU 18 -2.991 -4.977 -10.687 145 HA GLU 18 HA GLU 18 -0.495 -3.537 -10.130 146 1HB GLU 18 2HB GLU 18 -0.510 -2.907 -12.483 147 2HB GLU 18 1HB GLU 18 -0.656 -4.652 -12.320 148 1HG GLU 18 2HG GLU 18 -2.758 -4.697 -13.155 149 2HG GLU 18 1HG GLU 18 -3.172 -3.112 -12.504 150 H GLY 19 H GLY 19 -3.079 -3.015 -8.813 151 1HA GLY 19 2HA GLY 19 -3.023 -0.222 -8.777 152 2HA GLY 19 1HA GLY 19 -4.308 -0.709 -9.872 153 H TYR 20 H TYR 20 -3.104 -1.748 -6.679 154 HA TYR 20 HA TYR 20 -5.886 -1.990 -5.791 155 1HB TYR 20 2HB TYR 20 -4.305 -3.931 -5.518 156 2HB TYR 20 1HB TYR 20 -3.400 -2.952 -4.366 157 HD1 TYR 20 1HD TYR 20 -7.088 -3.233 -4.784 158 HD2 TYR 20 2HD TYR 20 -3.712 -4.056 -2.330 159 HE1 TYR 20 1HE TYR 20 -8.586 -3.982 -2.984 160 HE2 TYR 20 2HE TYR 20 -5.201 -4.808 -0.523 161 HH TYR 20 HH TYR 20 -7.462 -5.652 -0.229 162 H ARG 21 H ARG 21 -4.191 0.519 -6.050 163 HA ARG 21 HA ARG 21 -4.011 2.504 -4.963 164 1HB ARG 21 2HB ARG 21 -5.923 1.241 -3.001 165 2HB ARG 21 1HB ARG 21 -5.585 2.960 -3.149 166 1HG ARG 21 2HG ARG 21 -7.131 1.168 -4.959 167 2HG ARG 21 1HG ARG 21 -7.587 2.721 -4.261 168 1HD ARG 21 2HD ARG 21 -5.729 3.713 -5.707 169 2HD ARG 21 1HD ARG 21 -5.730 2.169 -6.560 170 HE ARG 21 HE ARG 21 -8.318 2.853 -6.654 171 1HH1 ARG 21 1HH1 ARG 21 -5.425 4.666 -7.385 172 2HH1 ARG 21 2HH1 ARG 21 -6.198 5.657 -8.575 173 1HH2 ARG 21 1HH2 ARG 21 -9.333 4.156 -8.219 174 2HH2 ARG 21 2HH2 ARG 21 -8.416 5.369 -9.048 175 H ARG 22 H ARG 22 -3.539 3.498 -2.740 176 HA ARG 22 HA ARG 22 -2.373 1.956 -0.714 177 1HB ARG 22 2HB ARG 22 -0.694 2.310 -2.942 178 2HB ARG 22 1HB ARG 22 -0.088 3.391 -1.697 179 1HG ARG 22 2HG ARG 22 -0.740 0.709 -0.731 180 2HG ARG 22 1HG ARG 22 0.554 0.759 -1.927 181 1HD ARG 22 2HD ARG 22 0.416 2.222 0.699 182 2HD ARG 22 1HD ARG 22 1.553 0.958 0.231 183 HE ARG 22 HE ARG 22 1.885 3.011 -1.585 184 1HH1 ARG 22 1HH1 ARG 22 2.197 2.592 1.864 185 2HH1 ARG 22 2HH1 ARG 22 3.449 3.779 2.021 186 1HH2 ARG 22 1HH2 ARG 22 3.532 4.570 -1.382 187 2HH2 ARG 22 2HH2 ARG 22 4.207 4.901 0.178 188 H ALA 23 H ALA 23 -1.101 4.943 -2.093 189 HA ALA 23 HA ALA 23 -1.829 6.350 0.362 190 1HB ALA 23 1HB ALA 23 0.490 6.468 -0.762 191 2HB ALA 23 2HB ALA 23 -0.247 7.973 -0.211 192 3HB ALA 23 3HB ALA 23 -0.288 7.544 -1.921 193 H GLY 24 H GLY 24 -3.148 5.660 -2.588 194 1HA GLY 24 2HA GLY 24 -5.393 6.529 -2.997 195 2HA GLY 24 1HA GLY 24 -4.791 8.114 -2.532 196 H PHE 25 H PHE 25 -3.373 5.673 -4.694 197 HA PHE 25 HA PHE 25 -3.983 7.260 -7.017 198 1HB PHE 25 2HB PHE 25 -1.686 7.720 -7.663 199 2HB PHE 25 1HB PHE 25 -2.043 8.452 -6.106 200 HD1 PHE 25 2HD PHE 25 -1.554 6.539 -4.094 201 HD2 PHE 25 1HD PHE 25 0.448 6.979 -7.834 202 HE1 PHE 25 2HE PHE 25 0.443 5.457 -3.157 203 HE2 PHE 25 1HE PHE 25 2.443 5.891 -6.894 204 HZ PHE 25 HZ PHE 25 2.442 5.130 -4.553 205 H SER 26 H SER 26 -1.718 4.724 -5.929 206 HA SER 26 HA SER 26 -2.680 2.484 -6.963 207 1HB SER 26 2HB SER 26 -1.496 2.403 -9.301 208 2HB SER 26 1HB SER 26 -3.088 3.148 -9.162 209 HG SER 26 HG SER 26 -1.421 4.373 -10.332 210 H PHE 27 H PHE 27 -1.339 1.119 -5.969 211 HA PHE 27 HA PHE 27 1.459 1.819 -5.661 212 1HB PHE 27 2HB PHE 27 0.031 0.884 -3.788 213 2HB PHE 27 1HB PHE 27 0.094 -0.664 -4.626 214 HD1 PHE 27 2HD PHE 27 2.283 1.983 -3.214 215 HD2 PHE 27 1HD PHE 27 1.862 -2.126 -4.232 216 HE1 PHE 27 2HE PHE 27 4.444 1.502 -2.145 217 HE2 PHE 27 1HE PHE 27 4.020 -2.617 -3.167 218 HZ PHE 27 HZ PHE 27 5.317 -0.802 -2.119 219 H HIS 28 H HIS 28 -0.453 -0.151 -7.708 220 HA HIS 28 HA HIS 28 0.073 -1.525 -9.443 221 1HB HIS 28 2HB HIS 28 2.499 0.073 -9.046 222 2HB HIS 28 1HB HIS 28 2.806 -1.491 -9.792 223 HD1 HIS 28 1HD HIS 28 3.025 -1.085 -12.220 224 HD2 HIS 28 2HD HIS 28 -0.096 1.102 -10.564 225 HE1 HIS 28 1HE HIS 28 1.922 0.081 -14.155 226 HE2 HIS 28 2HE HIS 28 0.098 1.476 -13.116 227 H LEU 29 H LEU 29 1.457 -3.496 -10.015 228 HA LEU 29 HA LEU 29 1.646 -5.141 -7.615 229 1HB LEU 29 2HB LEU 29 0.449 -5.790 -9.805 230 2HB LEU 29 1HB LEU 29 2.057 -6.084 -10.440 231 HG LEU 29 HG LEU 29 2.416 -7.702 -8.545 232 1HD1 LEU 29 1HD1 LEU 29 0.614 -6.765 -7.106 233 2HD1 LEU 29 2HD1 LEU 29 0.529 -8.514 -7.318 234 3HD1 LEU 29 3HD1 LEU 29 -0.567 -7.463 -8.212 235 1HD2 LEU 29 1HD2 LEU 29 1.963 -8.590 -10.693 236 2HD2 LEU 29 2HD2 LEU 29 0.253 -8.171 -10.583 237 3HD2 LEU 29 3HD2 LEU 29 0.914 -9.450 -9.566 238 H GLY 30 H GLY 30 3.536 -4.967 -6.593 239 1HA GLY 30 2HA GLY 30 5.897 -6.040 -7.637 240 2HA GLY 30 1HA GLY 30 5.992 -4.294 -7.805 241 H ASP 31 H ASP 31 7.556 -3.867 -6.321 242 HA ASP 31 HA ASP 31 6.764 -4.102 -3.540 243 1HB ASP 31 2HB ASP 31 9.069 -4.998 -2.945 244 2HB ASP 31 1HB ASP 31 7.959 -6.142 -3.692 245 H ASN 32 H ASN 32 7.451 -2.419 -2.308 246 HA ASN 32 HA ASN 32 9.349 -0.544 -3.579 247 1HB ASN 32 2HB ASN 32 6.857 0.139 -3.243 248 2HB ASN 32 1HB ASN 32 7.302 0.308 -1.548 249 1HD2 ASN 32 1HD2 ASN 32 6.714 2.545 -1.873 250 2HD2 ASN 32 2HD2 ASN 32 7.873 3.636 -2.543 251 H SER 33 H SER 33 11.135 0.006 -2.438 252 HA SER 33 HA SER 33 11.525 -1.288 0.125 253 1HB SER 33 2HB SER 33 13.451 0.370 -1.512 254 2HB SER 33 1HB SER 33 13.853 -0.542 -0.055 255 HG SER 33 HG SER 33 13.010 -2.417 -1.284 256 H LEU 34 H LEU 34 12.010 -0.314 2.017 257 HA LEU 34 HA LEU 34 11.329 2.546 2.204 258 1HB LEU 34 2HB LEU 34 9.654 1.258 3.304 259 2HB LEU 34 1HB LEU 34 10.839 0.228 4.072 260 HG LEU 34 HG LEU 34 9.562 1.992 5.449 261 1HD1 LEU 34 1HD1 LEU 34 11.161 0.593 6.434 262 2HD1 LEU 34 2HD1 LEU 34 11.650 2.232 6.862 263 3HD1 LEU 34 3HD1 LEU 34 12.488 1.362 5.572 264 1HD2 LEU 34 1HD2 LEU 34 10.054 4.151 5.247 265 2HD2 LEU 34 2HD2 LEU 34 10.777 3.737 3.695 266 3HD2 LEU 34 3HD2 LEU 34 11.783 3.832 5.140 267 H ALA 35 H ALA 35 12.669 3.890 3.346 268 HA ALA 35 HA ALA 35 15.378 3.140 3.666 269 1HB ALA 35 1HB ALA 35 13.777 5.602 4.070 270 2HB ALA 35 2HB ALA 35 15.248 5.347 3.132 271 3HB ALA 35 3HB ALA 35 15.335 5.488 4.887 272 H ALA 36 H ALA 36 16.586 3.293 5.660 273 HA ALA 36 HA ALA 36 15.353 1.781 7.709 274 1HB ALA 36 1HB ALA 36 17.848 3.183 8.392 275 2HB ALA 36 2HB ALA 36 17.912 2.157 6.959 276 3HB ALA 36 3HB ALA 36 17.436 1.473 8.512 277 H VAL 37 H VAL 37 13.933 2.504 9.054 278 HA VAL 37 HA VAL 37 14.304 5.127 10.340 279 HB VAL 37 HB VAL 37 11.586 3.955 9.794 280 1HG1 VAL 37 1HG1 VAL 37 11.147 5.636 11.220 281 2HG1 VAL 37 2HG1 VAL 37 11.282 6.629 9.768 282 3HG1 VAL 37 3HG1 VAL 37 12.656 6.479 10.864 283 1HG2 VAL 37 1HG2 VAL 37 13.403 5.080 7.846 284 2HG2 VAL 37 2HG2 VAL 37 11.917 6.024 7.971 285 3HG2 VAL 37 3HG2 VAL 37 11.839 4.298 7.613 286 H SER 38 H SER 38 12.965 5.267 12.408 287 HA SER 38 HA SER 38 13.778 3.334 14.221 288 1HB SER 38 2HB SER 38 11.331 5.053 14.617 289 2HB SER 38 1HB SER 38 12.457 4.465 15.839 290 HG SER 38 HG SER 38 12.777 6.531 13.965 291 H GLU 39 H GLU 39 10.419 3.860 13.117 292 HA GLU 39 HA GLU 39 9.946 1.058 12.809 293 1HB GLU 39 2HB GLU 39 9.891 1.474 15.331 294 2HB GLU 39 1HB GLU 39 8.394 2.350 15.038 295 1HG GLU 39 2HG GLU 39 8.082 -0.073 13.703 296 2HG GLU 39 1HG GLU 39 8.865 -0.485 15.228 297 H SER 40 H SER 40 8.962 4.327 12.564 298 HA SER 40 HA SER 40 6.310 4.334 12.031 299 1HB SER 40 2HB SER 40 6.938 6.052 10.169 300 2HB SER 40 1HB SER 40 7.334 6.413 11.850 301 HG SER 40 HG SER 40 9.330 6.517 11.243 302 H GLN 41 H GLN 41 8.812 2.995 9.950 303 HA GLN 41 HA GLN 41 7.227 2.711 7.629 304 1HB GLN 41 2HB GLN 41 8.909 1.065 6.911 305 2HB GLN 41 1HB GLN 41 9.608 2.574 7.459 306 1HG GLN 41 2HG GLN 41 10.978 0.858 8.299 307 2HG GLN 41 1HG GLN 41 10.045 1.462 9.664 308 1HE2 GLN 41 1HE2 GLN 41 8.703 -0.644 7.212 309 2HE2 GLN 41 2HE2 GLN 41 8.527 -2.026 8.226 310 H LEU 42 H LEU 42 7.749 0.628 10.412 311 HA LEU 42 HA LEU 42 6.465 -1.644 9.318 312 1HB LEU 42 2HB LEU 42 8.005 -1.755 11.234 313 2HB LEU 42 1HB LEU 42 6.845 -0.881 12.214 314 HG LEU 42 HG LEU 42 5.293 -2.936 11.467 315 1HD1 LEU 42 1HD1 LEU 42 8.013 -4.199 11.711 316 2HD1 LEU 42 2HD1 LEU 42 7.224 -3.897 10.163 317 3HD1 LEU 42 3HD1 LEU 42 6.477 -4.982 11.336 318 1HD2 LEU 42 1HD2 LEU 42 5.965 -4.015 13.621 319 2HD2 LEU 42 2HD2 LEU 42 5.589 -2.296 13.745 320 3HD2 LEU 42 3HD2 LEU 42 7.269 -2.834 13.737 321 H ALA 43 H ALA 43 5.316 1.068 11.236 322 HA ALA 43 HA ALA 43 2.641 -0.035 11.391 323 1HB ALA 43 1HB ALA 43 3.094 2.762 12.178 324 2HB ALA 43 2HB ALA 43 4.023 1.551 13.061 325 3HB ALA 43 3HB ALA 43 2.262 1.458 13.027 326 H GLN 44 H GLN 44 4.419 2.293 9.490 327 HA GLN 44 HA GLN 44 2.236 3.714 8.420 328 1HB GLN 44 2HB GLN 44 4.532 4.521 8.210 329 2HB GLN 44 1HB GLN 44 4.946 3.138 7.206 330 1HG GLN 44 2HG GLN 44 4.454 4.381 5.443 331 2HG GLN 44 1HG GLN 44 2.764 4.302 5.938 332 1HE2 GLN 44 1HE2 GLN 44 1.814 6.063 6.895 333 2HE2 GLN 44 2HE2 GLN 44 2.565 7.617 6.966 334 H LEU 45 H LEU 45 3.993 0.863 7.231 335 HA LEU 45 HA LEU 45 2.222 0.543 4.988 336 1HB LEU 45 2HB LEU 45 4.432 -1.154 6.120 337 2HB LEU 45 1HB LEU 45 3.463 -1.656 4.748 338 1HD1 LEU 45 1HD1 LEU 45 4.155 1.949 4.714 339 2HD1 LEU 45 2HD1 LEU 45 5.846 1.812 4.232 340 3HD1 LEU 45 3HD1 LEU 45 5.351 1.338 5.857 341 1HD2 LEU 45 1HD2 LEU 45 6.896 -0.281 4.707 342 2HD2 LEU 45 2HD2 LEU 45 6.374 -0.864 3.126 343 3HD2 LEU 45 3HD2 LEU 45 6.010 -1.801 4.575 344 H LYS 46 H LYS 46 2.697 -1.016 8.118 345 HA LYS 46 HA LYS 46 0.694 -3.009 7.705 346 1HB LYS 46 2HB LYS 46 2.649 -3.142 9.319 347 2HB LYS 46 1HB LYS 46 1.748 -2.051 10.363 348 1HG LYS 46 2HG LYS 46 0.275 -3.645 10.993 349 2HG LYS 46 1HG LYS 46 0.319 -4.460 9.429 350 1HD LYS 46 2HD LYS 46 1.501 -6.018 10.549 351 2HD LYS 46 1HD LYS 46 2.845 -4.903 10.298 352 1HE LYS 46 2HE LYS 46 3.044 -4.565 12.487 353 2HE LYS 46 1HE LYS 46 1.339 -4.138 12.624 354 1HZ LYS 46 1HZ LYS 46 2.398 -6.252 13.810 355 2HZ LYS 46 2HZ LYS 46 1.945 -6.971 12.348 356 3HZ LYS 46 3HZ LYS 46 0.784 -6.200 13.306 357 H ALA 47 H ALA 47 0.534 0.300 8.398 358 HA ALA 47 HA ALA 47 -1.545 0.593 10.179 359 1HB ALA 47 1HB ALA 47 -0.742 2.631 9.613 360 2HB ALA 47 2HB ALA 47 -2.112 2.601 8.504 361 3HB ALA 47 3HB ALA 47 -0.499 2.189 7.924 362 H ASP 48 H ASP 48 -1.667 -0.376 6.815 363 HA ASP 48 HA ASP 48 -4.575 -0.759 7.090 364 1HB ASP 48 2HB ASP 48 -4.754 -0.419 4.647 365 2HB ASP 48 1HB ASP 48 -4.118 1.004 5.469 366 HA PRO 49 HA PRO 49 -3.467 -5.020 6.387 367 1HB PRO 49 2HB PRO 49 -5.937 -6.074 6.432 368 2HB PRO 49 1HB PRO 49 -5.161 -5.462 7.897 369 1HG PRO 49 2HG PRO 49 -7.211 -4.153 6.153 370 2HG PRO 49 1HG PRO 49 -7.121 -4.212 7.923 371 1HD PRO 49 2HD PRO 49 -6.302 -2.068 6.436 372 2HD PRO 49 1HD PRO 49 -5.630 -2.474 8.027 373 H ARG 50 H ARG 50 -2.872 -4.085 4.137 374 HA ARG 50 HA ARG 50 -4.586 -5.420 2.156 375 1HB ARG 50 2HB ARG 50 -3.258 -2.721 1.851 376 2HB ARG 50 1HB ARG 50 -4.036 -3.603 0.545 377 1HG ARG 50 2HG ARG 50 -5.993 -3.538 2.461 378 2HG ARG 50 1HG ARG 50 -5.199 -1.975 2.662 379 1HD ARG 50 2HD ARG 50 -5.383 -2.088 -0.028 380 2HD ARG 50 1HD ARG 50 -6.814 -3.013 0.424 381 HE ARG 50 HE ARG 50 -7.786 -1.081 1.187 382 1HH1 ARG 50 1HH1 ARG 50 -4.377 -0.520 0.690 383 2HH1 ARG 50 2HH1 ARG 50 -4.497 1.190 0.927 384 1HH2 ARG 50 1HH2 ARG 50 -7.944 1.170 1.501 385 2HH2 ARG 50 2HH2 ARG 50 -6.521 2.150 1.388 386 H LEU 51 H LEU 51 -1.396 -3.867 2.537 387 HA LEU 51 HA LEU 51 -0.249 -5.925 0.792 388 1HB LEU 51 2HB LEU 51 0.851 -3.286 1.760 389 2HB LEU 51 1HB LEU 51 1.766 -4.436 0.802 390 HG LEU 51 HG LEU 51 0.330 -4.124 -1.091 391 1HD1 LEU 51 1HD1 LEU 51 -1.827 -3.944 -0.150 392 2HD1 LEU 51 2HD1 LEU 51 -1.519 -2.409 -0.963 393 3HD1 LEU 51 3HD1 LEU 51 -1.379 -2.521 0.792 394 1HD2 LEU 51 1HD2 LEU 51 0.531 -1.595 -1.364 395 2HD2 LEU 51 2HD2 LEU 51 2.013 -2.498 -1.052 396 3HD2 LEU 51 3HD2 LEU 51 1.236 -1.599 0.252 397 H VAL 52 H VAL 52 2.064 -6.576 1.435 398 HA VAL 52 HA VAL 52 2.007 -7.343 4.273 399 HB VAL 52 HB VAL 52 3.761 -8.586 2.186 400 1HG1 VAL 52 1HG1 VAL 52 4.403 -9.177 4.383 401 2HG1 VAL 52 2HG1 VAL 52 3.532 -10.559 3.722 402 3HG1 VAL 52 3HG1 VAL 52 2.732 -9.480 4.862 403 1HG2 VAL 52 1HG2 VAL 52 1.781 -10.392 2.387 404 2HG2 VAL 52 2HG2 VAL 52 1.850 -9.163 1.124 405 3HG2 VAL 52 3HG2 VAL 52 0.853 -8.902 2.556 406 H VAL 53 H VAL 53 3.172 -5.971 5.460 407 HA VAL 53 HA VAL 53 5.727 -4.972 4.418 408 HB VAL 53 HB VAL 53 4.466 -3.152 5.165 409 1HG1 VAL 53 1HG1 VAL 53 3.490 -3.110 7.524 410 2HG1 VAL 53 2HG1 VAL 53 3.719 -4.860 7.514 411 3HG1 VAL 53 3HG1 VAL 53 2.664 -4.102 6.321 412 1HG2 VAL 53 1HG2 VAL 53 6.732 -3.006 5.980 413 2HG2 VAL 53 2HG2 VAL 53 6.293 -3.890 7.442 414 3HG2 VAL 53 3HG2 VAL 53 5.629 -2.282 7.151 415 H GLN 54 H GLN 54 7.441 -6.099 4.948 416 HA GLN 54 HA GLN 54 7.586 -7.307 7.633 417 1HB GLN 54 2HB GLN 54 7.509 -8.677 5.188 418 2HB GLN 54 1HB GLN 54 9.190 -8.740 5.700 419 1HG GLN 54 2HG GLN 54 8.681 -9.893 7.654 420 2HG GLN 54 1HG GLN 54 6.977 -9.446 7.585 421 1HE2 GLN 54 1HE2 GLN 54 5.657 -10.441 5.964 422 2HE2 GLN 54 2HE2 GLN 54 6.062 -12.006 5.355 423 H ILE 55 H ILE 55 9.270 -6.696 8.799 424 HA ILE 55 HA ILE 55 11.375 -5.088 7.588 425 HB ILE 55 HB ILE 55 12.090 -4.626 9.873 426 1HG1 ILE 55 2HG1 ILE 55 10.334 -5.540 11.657 427 2HG1 ILE 55 1HG1 ILE 55 10.201 -6.852 10.490 428 1HG2 ILE 55 1HG2 ILE 55 10.477 -3.109 9.177 429 2HG2 ILE 55 2HG2 ILE 55 9.842 -3.685 10.719 430 3HG2 ILE 55 3HG2 ILE 55 9.189 -4.313 9.206 431 1HD1 ILE 55 1HD1 ILE 55 12.059 -7.761 11.257 432 2HD1 ILE 55 2HD1 ILE 55 12.130 -6.505 12.493 433 3HD1 ILE 55 3HD1 ILE 55 12.956 -6.273 10.952 434 H THR 56 H THR 56 13.560 -5.562 7.650 435 HA THR 56 HA THR 56 14.261 -8.330 8.377 436 HB THR 56 HB THR 56 15.820 -8.388 6.516 437 HG1 THR 56 1HG THR 56 16.443 -6.277 6.328 438 1HG2 THR 56 1HG2 THR 56 12.984 -7.980 6.080 439 2HG2 THR 56 2HG2 THR 56 14.084 -9.167 5.379 440 3HG2 THR 56 3HG2 THR 56 13.961 -7.554 4.674 441 H GLU 57 H GLU 57 15.326 -8.120 10.247 442 HA GLU 57 HA GLU 57 16.807 -5.901 11.079 443 1HB GLU 57 2HB GLU 57 16.923 -8.793 11.936 444 2HB GLU 57 1HB GLU 57 17.819 -7.512 12.742 445 1HG GLU 57 2HG GLU 57 15.482 -6.378 12.930 446 2HG GLU 57 1HG GLU 57 14.884 -8.018 12.675 447 H THR 58 H THR 58 18.325 -9.066 10.534 448 HA THR 58 HA THR 58 20.631 -7.653 9.374 449 HB THR 58 HB THR 58 21.779 -9.923 9.945 450 HG1 THR 58 1HG THR 58 20.786 -10.924 11.754 451 1HG2 THR 58 1HG2 THR 58 21.684 -9.134 12.514 452 2HG2 THR 58 2HG2 THR 58 21.143 -7.663 11.706 453 3HG2 THR 58 3HG2 THR 58 22.698 -8.380 11.284 454 H GLY 59 H GLY 59 20.631 -7.728 7.226 455 1HA GLY 59 2HA GLY 59 19.749 -10.228 5.921 456 2HA GLY 59 1HA GLY 59 19.571 -8.633 5.206 457 H SER 60 H SER 60 22.473 -9.525 6.912 458 HA SER 60 HA SER 60 23.916 -9.498 4.349 459 1HB SER 60 2HB SER 60 24.586 -7.683 5.820 460 2HB SER 60 1HB SER 60 24.881 -8.819 7.137 461 HG SER 60 HG SER 60 26.333 -8.460 4.745 462 H GLN 61 H GLN 61 23.427 -11.249 7.336 463 HA GLN 61 HA GLN 61 25.520 -13.145 6.919 464 1HB GLN 61 2HB GLN 61 23.802 -12.486 9.011 465 2HB GLN 61 1HB GLN 61 23.324 -14.116 8.558 466 1HG GLN 61 2HG GLN 61 24.937 -14.412 10.209 467 2HG GLN 61 1HG GLN 61 25.798 -14.702 8.697 468 1HE2 GLN 61 1HE2 GLN 61 27.268 -13.154 7.950 469 2HE2 GLN 61 2HE2 GLN 61 27.939 -11.958 9.001 470 H GLU 62 H GLU 62 25.393 -14.172 4.978 471 HA GLU 62 HA GLU 62 24.712 -15.673 3.414 472 1HB GLU 62 2HB GLU 62 23.806 -16.682 5.924 473 2HB GLU 62 1HB GLU 62 22.565 -17.017 4.724 474 1HG GLU 62 2HG GLU 62 25.387 -17.635 4.039 475 2HG GLU 62 1HG GLU 62 24.547 -18.687 5.177 476 H GLY 63 H GLY 63 23.830 -14.216 1.964 477 1HA GLY 63 2HA GLY 63 20.988 -13.551 2.245 478 2HA GLY 63 1HA GLY 63 22.120 -12.797 1.131 479 H GLY 64 H GLY 64 20.439 -13.119 -0.478 480 1HA GLY 64 2HA GLY 64 20.549 -15.856 -1.578 481 2HA GLY 64 1HA GLY 64 19.040 -14.956 -1.528 482 H GLU 65 H GLU 65 19.335 -15.630 -3.908 483 HA GLU 65 HA GLU 65 20.956 -13.639 -5.337 484 1HB GLU 65 2HB GLU 65 20.456 -15.149 -7.337 485 2HB GLU 65 1HB GLU 65 21.540 -15.784 -6.108 486 1HG GLU 65 2HG GLU 65 18.675 -16.407 -5.786 487 2HG GLU 65 1HG GLU 65 19.506 -17.173 -7.139 488 H GLY 66 H GLY 66 17.703 -14.823 -4.862 489 1HA GLY 66 2HA GLY 66 15.921 -13.153 -5.075 490 2HA GLY 66 1HA GLY 66 16.729 -12.586 -6.529 491 H LEU 67 H LEU 67 13.990 -13.808 -5.827 492 HA LEU 67 HA LEU 67 13.833 -15.420 -8.244 493 1HB LEU 67 2HB LEU 67 13.302 -16.438 -5.487 494 2HB LEU 67 1HB LEU 67 12.316 -17.027 -6.813 495 HG LEU 67 HG LEU 67 15.250 -17.123 -7.213 496 1HD1 LEU 67 1HD1 LEU 67 13.795 -18.719 -5.141 497 2HD1 LEU 67 2HD1 LEU 67 15.372 -17.934 -5.043 498 3HD1 LEU 67 3HD1 LEU 67 15.175 -19.399 -6.003 499 1HD2 LEU 67 1HD2 LEU 67 13.482 -19.441 -7.658 500 2HD2 LEU 67 2HD2 LEU 67 14.734 -18.750 -8.690 501 3HD2 LEU 67 3HD2 LEU 67 13.137 -18.004 -8.622 502 H SER 68 H SER 68 12.919 -12.828 -7.757 503 HA SER 68 HA SER 68 10.043 -13.070 -7.292 504 1HB SER 68 2HB SER 68 11.727 -11.167 -6.443 505 2HB SER 68 1HB SER 68 11.268 -10.449 -7.986 506 HG SER 68 HG SER 68 9.050 -10.777 -7.293 507 H LYS 69 H LYS 69 8.509 -12.724 -8.834 508 HA LYS 69 HA LYS 69 9.484 -12.386 -11.594 509 1HB LYS 69 2HB LYS 69 8.316 -14.589 -10.788 510 2HB LYS 69 1HB LYS 69 6.843 -13.644 -10.953 511 1HG LYS 69 2HG LYS 69 6.998 -14.686 -13.001 512 2HG LYS 69 1HG LYS 69 7.736 -13.115 -13.323 513 1HD LYS 69 2HD LYS 69 9.439 -14.304 -14.168 514 2HD LYS 69 1HD LYS 69 9.879 -14.592 -12.482 515 1HE LYS 69 2HE LYS 69 8.587 -16.664 -12.497 516 2HE LYS 69 1HE LYS 69 8.123 -16.371 -14.171 517 1HZ LYS 69 1HZ LYS 69 10.977 -16.433 -13.511 518 2HZ LYS 69 2HZ LYS 69 10.190 -16.900 -14.934 519 3HZ LYS 69 3HZ LYS 69 10.140 -17.904 -13.573 520 H GLU 70 H GLU 70 8.782 -10.683 -12.713 521 HA GLU 70 HA GLU 70 6.878 -8.883 -11.461 522 1HB GLU 70 2HB GLU 70 9.110 -8.601 -13.218 523 2HB GLU 70 1HB GLU 70 7.696 -7.919 -14.012 524 1HG GLU 70 2HG GLU 70 7.494 -6.231 -12.514 525 2HG GLU 70 1HG GLU 70 8.144 -7.184 -11.181 526 HA PRO 71 HA PRO 71 4.835 -9.708 -15.903 527 1HB PRO 71 2HB PRO 71 5.835 -12.508 -16.134 528 2HB PRO 71 1HB PRO 71 5.525 -11.316 -17.402 529 1HG PRO 71 2HG PRO 71 8.015 -11.868 -16.640 530 2HG PRO 71 1HG PRO 71 7.530 -10.208 -17.036 531 1HD PRO 71 2HD PRO 71 8.006 -11.463 -14.372 532 2HD PRO 71 1HD PRO 71 8.325 -9.803 -14.913 533 H ALA 72 H ALA 72 5.411 -12.377 -13.632 534 HA ALA 72 HA ALA 72 2.892 -13.589 -13.831 535 1HB ALA 72 1HB ALA 72 3.448 -14.456 -11.499 536 2HB ALA 72 2HB ALA 72 4.955 -13.552 -11.648 537 3HB ALA 72 3HB ALA 72 4.584 -14.841 -12.793 538 H GLY 73 H GLY 73 1.050 -13.479 -12.491 539 1HA GLY 73 2HA GLY 73 0.570 -11.915 -10.303 540 2HA GLY 73 1HA GLY 73 0.388 -10.810 -11.657 541 H SER 74 H SER 74 -1.249 -11.266 -13.245 542 HA SER 74 HA SER 74 -3.114 -13.361 -12.997 543 1HB SER 74 2HB SER 74 -5.022 -11.643 -12.298 544 2HB SER 74 1HB SER 74 -4.101 -12.539 -11.088 545 HG SER 74 HG SER 74 -4.168 -10.331 -10.575 546 H ASP 75 H ASP 75 -4.100 -13.549 -14.903 547 HA ASP 75 HA ASP 75 -4.861 -11.205 -16.429 548 1HB ASP 75 2HB ASP 75 -2.375 -12.134 -16.929 549 2HB ASP 75 1HB ASP 75 -3.302 -13.152 -18.026 550 H GLU 76 H GLU 76 -6.659 -11.556 -17.593 551 HA GLU 76 HA GLU 76 -8.473 -12.595 -18.479 552 1HB GLU 76 2HB GLU 76 -6.229 -14.365 -19.102 553 2HB GLU 76 1HB GLU 76 -7.769 -15.208 -19.029 554 1HG GLU 76 2HG GLU 76 -8.690 -13.891 -20.744 555 2HG GLU 76 1HG GLU 76 -7.388 -12.708 -20.641 556 H GLN 77 H GLN 77 -7.076 -15.529 -17.066 557 HA GLN 77 HA GLN 77 -7.875 -16.993 -15.519 558 1HB GLN 77 2HB GLN 77 -7.612 -14.594 -14.266 559 2HB GLN 77 1HB GLN 77 -9.310 -14.936 -13.963 560 1HG GLN 77 2HG GLN 77 -8.495 -16.004 -12.169 561 2HG GLN 77 1HG GLN 77 -8.241 -17.314 -13.322 562 1HE2 GLN 77 1HE2 GLN 77 -6.833 -16.308 -10.811 563 2HE2 GLN 77 2HE2 GLN 77 -5.168 -16.264 -11.268 564 H LYS 78 H LYS 78 -10.092 -17.327 -14.078 565 HA LYS 78 HA LYS 78 -12.093 -17.796 -16.098 566 1HB LYS 78 2HB LYS 78 -11.384 -19.227 -13.966 567 2HB LYS 78 1HB LYS 78 -12.660 -18.278 -13.214 568 1HG LYS 78 2HG LYS 78 -14.309 -19.281 -14.416 569 2HG LYS 78 1HG LYS 78 -13.264 -19.589 -15.805 570 1HD LYS 78 2HD LYS 78 -12.447 -21.539 -14.932 571 2HD LYS 78 1HD LYS 78 -12.665 -21.010 -13.263 572 1HE LYS 78 2HE LYS 78 -15.232 -21.100 -14.065 573 2HE LYS 78 1HE LYS 78 -14.548 -22.358 -15.095 574 1HZ LYS 78 1HZ LYS 78 -13.475 -23.010 -12.756 575 2HZ LYS 78 2HZ LYS 78 -14.959 -23.620 -13.293 576 3HZ LYS 78 3HZ LYS 78 -14.921 -22.318 -12.213 577 H GLN 79 H GLN 79 -13.579 -16.358 -16.655 578 HA GLN 79 HA GLN 79 -15.021 -14.864 -14.653 579 1HB GLN 79 2HB GLN 79 -12.953 -13.498 -15.145 580 2HB GLN 79 1HB GLN 79 -13.551 -13.316 -16.788 581 1HG GLN 79 2HG GLN 79 -14.165 -11.362 -15.632 582 2HG GLN 79 1HG GLN 79 -15.636 -12.318 -15.805 583 1HE2 GLN 79 1HE2 GLN 79 -13.141 -11.277 -13.588 584 2HE2 GLN 79 2HE2 GLN 79 -14.027 -11.587 -12.138 585 H LEU 80 H LEU 80 -17.076 -14.573 -15.267 586 HA LEU 80 HA LEU 80 -17.754 -15.174 -18.064 587 1HB LEU 80 2HB LEU 80 -19.087 -15.666 -15.462 588 2HB LEU 80 1HB LEU 80 -20.130 -15.300 -16.823 589 HG LEU 80 HG LEU 80 -19.257 -17.196 -18.060 590 1HD1 LEU 80 1HD1 LEU 80 -17.342 -17.342 -15.773 591 2HD1 LEU 80 2HD1 LEU 80 -17.029 -17.433 -17.506 592 3HD1 LEU 80 3HD1 LEU 80 -17.767 -18.799 -16.670 593 1HD2 LEU 80 1HD2 LEU 80 -20.357 -17.572 -15.326 594 2HD2 LEU 80 2HD2 LEU 80 -19.820 -18.999 -16.211 595 3HD2 LEU 80 3HD2 LEU 80 -21.066 -17.955 -16.896 596 H ARG 81 H ARG 81 -19.282 -13.899 -19.174 597 HA ARG 81 HA ARG 81 -20.349 -11.508 -17.995 598 1HB ARG 81 2HB ARG 81 -18.013 -10.825 -18.433 599 2HB ARG 81 1HB ARG 81 -18.225 -11.234 -20.130 600 1HG ARG 81 2HG ARG 81 -18.691 -9.052 -20.337 601 2HG ARG 81 1HG ARG 81 -20.293 -9.536 -19.777 602 1HD ARG 81 2HD ARG 81 -19.157 -9.185 -17.408 603 2HD ARG 81 1HD ARG 81 -18.120 -8.106 -18.339 604 HE ARG 81 HE ARG 81 -19.872 -6.643 -18.540 605 1HH1 ARG 81 1HH1 ARG 81 -21.083 -9.723 -17.429 606 2HH1 ARG 81 2HH1 ARG 81 -22.674 -9.122 -17.106 607 1HH2 ARG 81 1HH2 ARG 81 -21.964 -5.851 -18.113 608 2HH2 ARG 81 2HH2 ARG 81 -23.175 -6.923 -17.494 609 H ALA 82 H ALA 82 -19.335 -12.418 -21.290 610 HA ALA 82 HA ALA 82 -21.737 -11.566 -22.494 611 1HB ALA 82 1HB ALA 82 -19.330 -12.150 -23.467 612 2HB ALA 82 2HB ALA 82 -20.782 -12.158 -24.468 613 3HB ALA 82 3HB ALA 82 -20.140 -13.673 -23.833 614 H ASP 83 H ASP 83 -23.673 -12.439 -22.186 615 HA ASP 83 HA ASP 83 -23.982 -15.173 -21.334 616 1HB ASP 83 2HB ASP 83 -25.712 -12.794 -21.588 617 2HB ASP 83 1HB ASP 83 -26.520 -14.338 -21.839 618 HA PRO 84 HA PRO 84 -26.113 -15.735 -25.578 619 1HB PRO 84 2HB PRO 84 -26.283 -13.681 -27.307 620 2HB PRO 84 1HB PRO 84 -27.453 -13.904 -26.000 621 1HG PRO 84 2HG PRO 84 -25.092 -12.068 -26.135 622 2HG PRO 84 1HG PRO 84 -26.729 -11.742 -25.536 623 1HD PRO 84 2HD PRO 84 -24.618 -12.311 -23.904 624 2HD PRO 84 1HD PRO 84 -26.300 -12.688 -23.490 625 HA PRO 85 HA PRO 85 -22.029 -16.566 -27.301 626 1HB PRO 85 2HB PRO 85 -23.692 -18.057 -29.266 627 2HB PRO 85 1HB PRO 85 -22.296 -18.601 -28.330 628 1HG PRO 85 2HG PRO 85 -24.760 -19.375 -27.675 629 2HG PRO 85 1HG PRO 85 -23.560 -18.992 -26.425 630 1HD PRO 85 2HD PRO 85 -25.878 -17.373 -27.391 631 2HD PRO 85 1HD PRO 85 -25.231 -17.550 -25.747 632 H SER 86 H SER 86 -24.619 -16.356 -29.749 633 HA SER 86 HA SER 86 -23.145 -14.164 -31.033 634 1HB SER 86 2HB SER 86 -24.393 -16.466 -32.549 635 2HB SER 86 1HB SER 86 -23.455 -15.135 -33.225 636 HG SER 86 HG SER 86 -22.608 -17.447 -32.030 637 H THR 87 H THR 87 -24.520 -12.525 -30.646 638 HA THR 87 HA THR 87 -27.218 -12.754 -31.765 639 HB THR 87 HB THR 87 -27.993 -11.328 -29.768 640 HG1 THR 87 1HG THR 87 -25.604 -12.427 -28.709 641 1HG2 THR 87 1HG2 THR 87 -28.708 -13.638 -30.015 642 2HG2 THR 87 2HG2 THR 87 -28.392 -13.242 -28.326 643 3HG2 THR 87 3HG2 THR 87 -27.219 -14.188 -29.244 644 H ASP 88 H ASP 88 -25.566 -11.621 -33.339 645 HA ASP 88 HA ASP 88 -25.021 -9.735 -34.487 646 1HB ASP 88 2HB ASP 88 -27.464 -8.969 -32.977 647 2HB ASP 88 1HB ASP 88 -26.526 -7.660 -33.689 648 H LEU 89 H LEU 89 -24.071 -7.539 -34.277 649 HA LEU 89 HA LEU 89 -22.739 -5.972 -33.288 650 1HB LEU 89 2HB LEU 89 -24.499 -6.185 -31.410 651 2HB LEU 89 1HB LEU 89 -23.296 -7.163 -30.591 652 HG LEU 89 HG LEU 89 -21.752 -5.312 -30.512 653 1HD1 LEU 89 1HD1 LEU 89 -23.672 -4.110 -32.422 654 2HD1 LEU 89 2HD1 LEU 89 -21.912 -4.026 -32.378 655 3HD1 LEU 89 3HD1 LEU 89 -22.869 -3.032 -31.281 656 1HD2 LEU 89 1HD2 LEU 89 -23.177 -5.304 -28.654 657 2HD2 LEU 89 2HD2 LEU 89 -24.552 -4.733 -29.600 658 3HD2 LEU 89 3HD2 LEU 89 -23.213 -3.642 -29.244 659 H ASN 90 H ASN 90 -22.450 -9.041 -31.475 660 HA ASN 90 HA ASN 90 -19.789 -8.939 -30.832 661 1HB ASN 90 2HB ASN 90 -21.528 -11.288 -31.573 662 2HB ASN 90 1HB ASN 90 -19.867 -11.488 -31.019 663 1HD2 ASN 90 1HD2 ASN 90 -21.306 -12.749 -29.431 664 2HD2 ASN 90 2HD2 ASN 90 -21.750 -11.894 -27.997 665 H THR 91 H THR 91 -21.188 -10.136 -33.884 666 HA THR 91 HA THR 91 -18.774 -10.955 -35.052 667 HB THR 91 HB THR 91 -20.091 -10.525 -37.241 668 HG1 THR 91 1HG THR 91 -22.272 -10.175 -36.952 669 1HG2 THR 91 1HG2 THR 91 -19.908 -12.729 -36.065 670 2HG2 THR 91 2HG2 THR 91 -21.376 -12.494 -37.014 671 3HG2 THR 91 3HG2 THR 91 -21.427 -12.340 -35.258 672 H PHE 92 H PHE 92 -19.858 -7.772 -34.403 673 HA PHE 92 HA PHE 92 -18.406 -6.536 -36.575 674 1HB PHE 92 2HB PHE 92 -19.829 -5.382 -34.171 675 2HB PHE 92 1HB PHE 92 -19.045 -4.414 -35.409 676 HD1 PHE 92 2HD PHE 92 -21.631 -7.052 -34.993 677 HD2 PHE 92 1HD PHE 92 -20.254 -3.720 -37.253 678 HE1 PHE 92 2HE PHE 92 -23.693 -7.115 -36.335 679 HE2 PHE 92 1HE PHE 92 -22.313 -3.775 -38.597 680 HZ PHE 92 HZ PHE 92 -24.035 -5.474 -38.140 681 H THR 93 H THR 93 -16.478 -5.409 -36.411 682 HA THR 93 HA THR 93 -14.950 -5.940 -33.955 683 HB THR 93 HB THR 93 -12.927 -5.785 -35.378 684 HG1 THR 93 1HG THR 93 -14.754 -5.707 -37.543 685 1HG2 THR 93 1HG2 THR 93 -13.971 -7.755 -37.032 686 2HG2 THR 93 2HG2 THR 93 -14.905 -7.865 -35.540 687 3HG2 THR 93 3HG2 THR 93 -13.146 -7.981 -35.490 688 H VAL 94 H VAL 94 -14.025 -3.715 -36.520 689 HA VAL 94 HA VAL 94 -14.721 -1.378 -34.959 690 HB VAL 94 HB VAL 94 -11.815 -1.928 -35.574 691 1HG1 VAL 94 1HG1 VAL 94 -13.320 0.437 -34.707 692 2HG1 VAL 94 2HG1 VAL 94 -11.748 0.316 -35.497 693 3HG1 VAL 94 3HG1 VAL 94 -11.877 0.091 -33.754 694 1HG2 VAL 94 1HG2 VAL 94 -11.575 -2.027 -33.087 695 2HG2 VAL 94 2HG2 VAL 94 -12.464 -3.378 -33.788 696 3HG2 VAL 94 3HG2 VAL 94 -13.334 -2.078 -32.975 697 H GLU 95 H GLU 95 -12.928 -2.670 -37.722 698 HA GLU 95 HA GLU 95 -13.155 -0.225 -39.222 699 1HB GLU 95 2HB GLU 95 -12.154 -1.588 -41.066 700 2HB GLU 95 1HB GLU 95 -11.196 -1.553 -39.592 701 1HG GLU 95 2HG GLU 95 -13.077 -3.780 -39.715 702 2HG GLU 95 1HG GLU 95 -11.872 -3.790 -41.001 703 H GLN 96 H GLN 96 -15.066 -3.041 -38.764 704 HA GLN 96 HA GLN 96 -16.444 -2.994 -41.254 705 1HB GLN 96 2HB GLN 96 -16.489 -4.555 -38.823 706 2HB GLN 96 1HB GLN 96 -18.130 -4.139 -39.299 707 1HG GLN 96 2HG GLN 96 -16.255 -5.225 -41.343 708 2HG GLN 96 1HG GLN 96 -16.994 -6.318 -40.174 709 1HE2 GLN 96 1HE2 GLN 96 -17.792 -3.779 -42.504 710 2HE2 GLN 96 2HE2 GLN 96 -19.309 -4.450 -42.983 711 H LEU 97 H LEU 97 -17.221 -1.858 -38.009 712 HA LEU 97 HA LEU 97 -19.720 -0.757 -38.523 713 1HB LEU 97 2HB LEU 97 -18.670 0.982 -36.677 714 2HB LEU 97 1HB LEU 97 -19.479 -0.525 -36.317 715 HG LEU 97 HG LEU 97 -16.596 -0.777 -36.851 716 1HD1 LEU 97 1HD1 LEU 97 -16.072 -0.033 -34.508 717 2HD1 LEU 97 2HD1 LEU 97 -17.642 0.767 -34.505 718 3HD1 LEU 97 3HD1 LEU 97 -16.410 1.254 -35.666 719 1HD2 LEU 97 1HD2 LEU 97 -18.695 -1.970 -35.163 720 2HD2 LEU 97 2HD2 LEU 97 -17.058 -1.976 -34.508 721 3HD2 LEU 97 3HD2 LEU 97 -17.387 -2.738 -36.063 722 H LYS 98 H LYS 98 -16.616 0.940 -38.376 723 HA LYS 98 HA LYS 98 -17.485 3.418 -39.281 724 1HB LYS 98 2HB LYS 98 -15.068 2.239 -38.559 725 2HB LYS 98 1HB LYS 98 -14.809 2.763 -40.219 726 1HG LYS 98 2HG LYS 98 -15.256 5.017 -39.673 727 2HG LYS 98 1HG LYS 98 -15.897 4.579 -38.088 728 1HD LYS 98 2HD LYS 98 -13.042 4.124 -38.946 729 2HD LYS 98 1HD LYS 98 -13.588 5.533 -38.037 730 1HE LYS 98 2HE LYS 98 -14.204 4.197 -36.171 731 2HE LYS 98 1HE LYS 98 -14.014 2.704 -37.091 732 1HZ LYS 98 1HZ LYS 98 -12.145 3.059 -35.621 733 2HZ LYS 98 2HZ LYS 98 -11.829 4.564 -36.324 734 3HZ LYS 98 3HZ LYS 98 -11.636 3.150 -37.232 735 H ALA 99 H ALA 99 -16.594 0.536 -41.108 736 HA ALA 99 HA ALA 99 -16.768 1.941 -43.628 737 1HB ALA 99 1HB ALA 99 -15.153 0.047 -43.149 738 2HB ALA 99 2HB ALA 99 -16.051 -0.045 -44.665 739 3HB ALA 99 3HB ALA 99 -16.545 -1.029 -43.287 740 H GLN 100 H GLN 100 -18.823 0.201 -41.576 741 HA GLN 100 HA GLN 100 -20.760 -0.428 -43.631 742 1HB GLN 100 2HB GLN 100 -20.478 -1.018 -40.729 743 2HB GLN 100 1HB GLN 100 -22.103 -1.006 -41.399 744 1HG GLN 100 2HG GLN 100 -20.137 -2.520 -42.962 745 2HG GLN 100 1HG GLN 100 -20.469 -3.159 -41.352 746 1HE2 GLN 100 1HE2 GLN 100 -21.916 -4.707 -41.429 747 2HE2 GLN 100 2HE2 GLN 100 -23.321 -4.749 -42.434 748 H LEU 101 H LEU 101 -20.450 1.825 -40.915 749 HA LEU 101 HA LEU 101 -23.013 2.903 -40.976 750 1HB LEU 101 2HB LEU 101 -20.338 4.022 -40.216 751 2HB LEU 101 1HB LEU 101 -21.730 5.085 -40.270 752 HG LEU 101 HG LEU 101 -21.292 2.712 -38.465 753 1HD1 LEU 101 1HD1 LEU 101 -21.837 5.594 -37.810 754 2HD1 LEU 101 2HD1 LEU 101 -20.225 4.881 -37.891 755 3HD1 LEU 101 3HD1 LEU 101 -21.387 4.305 -36.694 756 1HD2 LEU 101 1HD2 LEU 101 -23.756 3.454 -39.499 757 2HD2 LEU 101 2HD2 LEU 101 -23.688 4.254 -37.933 758 3HD2 LEU 101 3HD2 LEU 101 -23.476 2.506 -38.038 759 H THR 102 H THR 102 -20.090 3.922 -42.687 760 HA THR 102 HA THR 102 -21.302 6.016 -44.137 761 HB THR 102 HB THR 102 -19.233 5.232 -45.743 762 HG1 THR 102 1HG THR 102 -17.634 4.411 -44.441 763 1HG2 THR 102 1HG2 THR 102 -17.859 6.645 -43.943 764 2HG2 THR 102 2HG2 THR 102 -19.504 7.056 -43.456 765 3HG2 THR 102 3HG2 THR 102 -18.969 7.364 -45.110 766 H GLU 103 H GLU 103 -20.838 2.590 -44.802 767 HA GLU 103 HA GLU 103 -21.906 2.789 -47.445 768 1HB GLU 103 2HB GLU 103 -20.809 0.667 -45.748 769 2HB GLU 103 1HB GLU 103 -22.108 0.129 -46.803 770 1HG GLU 103 2HG GLU 103 -20.120 1.795 -48.140 771 2HG GLU 103 1HG GLU 103 -19.472 0.294 -47.482 772 H ARG 104 H ARG 104 -23.291 2.952 -44.463 773 HA ARG 104 HA ARG 104 -25.810 1.708 -45.297 774 1HB ARG 104 2HB ARG 104 -24.559 2.346 -42.688 775 2HB ARG 104 1HB ARG 104 -26.307 2.510 -42.772 776 1HG ARG 104 2HG ARG 104 -26.072 0.109 -43.902 777 2HG ARG 104 1HG ARG 104 -24.616 0.089 -42.905 778 1HD ARG 104 2HD ARG 104 -25.824 0.290 -40.923 779 2HD ARG 104 1HD ARG 104 -27.257 0.900 -41.748 780 HE ARG 104 HE ARG 104 -26.770 -1.698 -42.653 781 1HH1 ARG 104 1HH1 ARG 104 -27.714 -0.058 -39.721 782 2HH1 ARG 104 2HH1 ARG 104 -28.623 -1.401 -39.114 783 1HH2 ARG 104 1HH2 ARG 104 -27.965 -3.465 -41.857 784 2HH2 ARG 104 2HH2 ARG 104 -28.765 -3.336 -40.327 785 H GLY 105 H GLY 105 -24.292 4.746 -45.062 786 1HA GLY 105 2HA GLY 105 -25.144 6.767 -45.852 787 2HA GLY 105 1HA GLY 105 -26.753 6.063 -45.848 788 H ILE 106 H ILE 106 -24.344 6.449 -43.247 789 HA ILE 106 HA ILE 106 -26.176 8.290 -41.893 790 HB ILE 106 HB ILE 106 -26.721 6.088 -40.997 791 1HG1 ILE 106 2HG1 ILE 106 -25.107 7.394 -38.835 792 2HG1 ILE 106 1HG1 ILE 106 -26.456 8.264 -39.556 793 1HG2 ILE 106 1HG2 ILE 106 -23.959 5.627 -41.240 794 2HG2 ILE 106 2HG2 ILE 106 -25.200 4.508 -40.679 795 3HG2 ILE 106 3HG2 ILE 106 -24.336 5.520 -39.521 796 1HD1 ILE 106 1HD1 ILE 106 -28.003 6.610 -38.846 797 2HD1 ILE 106 2HD1 ILE 106 -26.989 7.021 -37.462 798 3HD1 ILE 106 3HD1 ILE 106 -26.705 5.524 -38.350 799 H THR 107 H THR 107 -24.776 10.017 -42.101 800 HA THR 107 HA THR 107 -22.026 10.031 -41.847 801 HB THR 107 HB THR 107 -22.683 12.466 -40.800 802 HG1 THR 107 1HG THR 107 -24.632 13.084 -41.712 803 1HG2 THR 107 1HG2 THR 107 -22.283 11.429 -43.506 804 2HG2 THR 107 2HG2 THR 107 -21.562 12.820 -42.697 805 3HG2 THR 107 3HG2 THR 107 -23.166 12.953 -43.416 806 H PHE 108 H PHE 108 -20.690 9.600 -40.227 807 HA PHE 108 HA PHE 108 -21.690 9.887 -37.470 808 1HB PHE 108 2HB PHE 108 -20.361 7.962 -36.826 809 2HB PHE 108 1HB PHE 108 -21.432 7.519 -38.150 810 HD1 PHE 108 2HD PHE 108 -20.403 7.659 -40.534 811 HD2 PHE 108 1HD PHE 108 -18.120 7.435 -36.950 812 HE1 PHE 108 2HE PHE 108 -18.477 6.827 -41.817 813 HE2 PHE 108 1HE PHE 108 -16.188 6.605 -38.228 814 HZ PHE 108 HZ PHE 108 -16.366 6.301 -40.666 815 H LYS 109 H LYS 109 -20.199 11.803 -39.154 816 HA LYS 109 HA LYS 109 -17.489 11.914 -38.463 817 1HB LYS 109 2HB LYS 109 -19.484 13.749 -39.588 818 2HB LYS 109 1HB LYS 109 -18.206 14.556 -38.689 819 1HG LYS 109 2HG LYS 109 -17.550 14.460 -40.973 820 2HG LYS 109 1HG LYS 109 -16.546 13.320 -40.077 821 1HD LYS 109 2HD LYS 109 -19.066 12.430 -41.438 822 2HD LYS 109 1HD LYS 109 -17.549 12.568 -42.329 823 1HE LYS 109 2HE LYS 109 -16.729 11.182 -40.157 824 2HE LYS 109 1HE LYS 109 -18.389 10.605 -40.300 825 1HZ LYS 109 1HZ LYS 109 -16.844 10.688 -42.761 826 2HZ LYS 109 2HZ LYS 109 -17.944 9.527 -42.211 827 3HZ LYS 109 3HZ LYS 109 -16.358 9.534 -41.623 828 H GLN 110 H GLN 110 -20.358 12.797 -36.700 829 HA GLN 110 HA GLN 110 -18.660 13.620 -34.437 830 1HB GLN 110 2HB GLN 110 -21.426 14.690 -35.011 831 2HB GLN 110 1HB GLN 110 -20.311 15.235 -33.765 832 1HG GLN 110 2HG GLN 110 -18.781 16.046 -35.488 833 2HG GLN 110 1HG GLN 110 -19.906 15.507 -36.735 834 1HE2 GLN 110 1HE2 GLN 110 -21.499 16.825 -37.344 835 2HE2 GLN 110 2HE2 GLN 110 -21.879 18.336 -36.596 836 H SER 111 H SER 111 -19.392 13.047 -32.352 837 HA SER 111 HA SER 111 -20.323 11.691 -30.782 838 1HB SER 111 2HB SER 111 -22.454 12.690 -32.127 839 2HB SER 111 1HB SER 111 -22.690 10.965 -32.401 840 HG SER 111 HG SER 111 -22.742 12.418 -30.014 841 H ALA 112 H ALA 112 -18.673 10.619 -33.013 842 HA ALA 112 HA ALA 112 -19.225 7.812 -32.499 843 1HB ALA 112 1HB ALA 112 -19.526 7.107 -34.656 844 2HB ALA 112 2HB ALA 112 -18.691 8.501 -35.344 845 3HB ALA 112 3HB ALA 112 -20.330 8.677 -34.717 846 H THR 113 H THR 113 -17.350 7.355 -31.506 847 HA THR 113 HA THR 113 -14.843 8.288 -32.699 848 HB THR 113 HB THR 113 -13.800 7.638 -30.582 849 HG1 THR 113 1HG THR 113 -15.160 6.887 -28.889 850 1HG2 THR 113 1HG2 THR 113 -15.599 8.968 -29.055 851 2HG2 THR 113 2HG2 THR 113 -16.035 9.518 -30.673 852 3HG2 THR 113 3HG2 THR 113 -14.386 9.732 -30.084 853 H LYS 114 H LYS 114 -15.496 5.320 -30.866 854 HA LYS 114 HA LYS 114 -15.080 3.643 -33.150 855 1HB LYS 114 2HB LYS 114 -12.758 4.195 -32.706 856 2HB LYS 114 1HB LYS 114 -12.945 3.775 -31.010 857 1HG LYS 114 2HG LYS 114 -13.405 1.435 -31.692 858 2HG LYS 114 1HG LYS 114 -13.059 1.899 -33.359 859 1HD LYS 114 2HD LYS 114 -10.834 1.949 -33.013 860 2HD LYS 114 1HD LYS 114 -11.001 2.678 -31.414 861 1HE LYS 114 2HE LYS 114 -11.139 0.657 -30.356 862 2HE LYS 114 1HE LYS 114 -11.849 -0.150 -31.754 863 1HZ LYS 114 1HZ LYS 114 -9.828 -0.599 -32.637 864 2HZ LYS 114 2HZ LYS 114 -9.357 -0.543 -31.014 865 3HZ LYS 114 3HZ LYS 114 -9.100 0.797 -32.014 866 H ALA 115 H ALA 115 -15.306 3.889 -29.640 867 HA ALA 115 HA ALA 115 -16.249 1.163 -29.427 868 1HB ALA 115 1HB ALA 115 -16.557 3.039 -27.154 869 2HB ALA 115 2HB ALA 115 -14.913 2.671 -27.677 870 3HB ALA 115 3HB ALA 115 -15.991 1.369 -27.175 871 H GLU 116 H GLU 116 -17.536 4.283 -29.952 872 HA GLU 116 HA GLU 116 -20.191 3.622 -29.020 873 1HB GLU 116 2HB GLU 116 -19.439 5.889 -28.710 874 2HB GLU 116 1HB GLU 116 -19.077 6.051 -30.420 875 1HG GLU 116 2HG GLU 116 -21.091 7.209 -30.051 876 2HG GLU 116 1HG GLU 116 -21.530 5.704 -30.859 877 H LEU 117 H LEU 117 -18.532 3.981 -32.149 878 HA LEU 117 HA LEU 117 -21.001 3.542 -33.559 879 1HB LEU 117 2HB LEU 117 -19.831 3.719 -35.589 880 2HB LEU 117 1HB LEU 117 -19.197 4.947 -34.534 881 HG LEU 117 HG LEU 117 -17.881 2.574 -35.726 882 1HD1 LEU 117 1HD1 LEU 117 -17.704 4.914 -36.590 883 2HD1 LEU 117 2HD1 LEU 117 -16.171 4.136 -36.209 884 3HD1 LEU 117 3HD1 LEU 117 -16.850 5.324 -35.102 885 1HD2 LEU 117 1HD2 LEU 117 -16.917 3.872 -33.198 886 2HD2 LEU 117 2HD2 LEU 117 -16.092 2.626 -34.139 887 3HD2 LEU 117 3HD2 LEU 117 -17.593 2.254 -33.309 888 H ILE 118 H ILE 118 -18.639 1.525 -32.149 889 HA ILE 118 HA ILE 118 -19.267 -0.738 -33.836 890 HB ILE 118 HB ILE 118 -17.048 -0.652 -32.880 891 1HG1 ILE 118 2HG1 ILE 118 -18.337 -2.855 -33.205 892 2HG1 ILE 118 1HG1 ILE 118 -16.851 -2.901 -32.265 893 1HG2 ILE 118 1HG2 ILE 118 -16.555 -0.801 -30.551 894 2HG2 ILE 118 2HG2 ILE 118 -18.262 -0.928 -30.143 895 3HG2 ILE 118 3HG2 ILE 118 -17.620 0.577 -30.808 896 1HD1 ILE 118 1HD1 ILE 118 -19.054 -2.414 -30.514 897 2HD1 ILE 118 2HD1 ILE 118 -17.934 -3.776 -30.551 898 3HD1 ILE 118 3HD1 ILE 118 -19.401 -3.813 -31.529 899 H ALA 119 H ALA 119 -20.399 0.675 -30.874 900 HA ALA 119 HA ALA 119 -21.969 -1.659 -30.150 901 1HB ALA 119 1HB ALA 119 -22.544 0.826 -28.727 902 2HB ALA 119 2HB ALA 119 -20.845 0.354 -28.674 903 3HB ALA 119 3HB ALA 119 -22.089 -0.760 -28.105 904 H LEU 120 H LEU 120 -22.374 1.477 -31.633 905 HA LEU 120 HA LEU 120 -25.106 1.833 -31.475 906 1HB LEU 120 2HB LEU 120 -23.150 3.260 -32.542 907 2HB LEU 120 1HB LEU 120 -23.735 2.524 -34.023 908 HG LEU 120 HG LEU 120 -26.068 3.412 -32.961 909 1HD1 LEU 120 1HD1 LEU 120 -23.875 5.198 -31.971 910 2HD1 LEU 120 2HD1 LEU 120 -25.263 4.553 -31.093 911 3HD1 LEU 120 3HD1 LEU 120 -25.492 5.818 -32.300 912 1HD2 LEU 120 1HD2 LEU 120 -25.830 4.008 -35.128 913 2HD2 LEU 120 2HD2 LEU 120 -24.130 4.436 -34.938 914 3HD2 LEU 120 3HD2 LEU 120 -25.385 5.559 -34.415 915 H PHE 121 H PHE 121 -23.294 -0.051 -33.891 916 HA PHE 121 HA PHE 121 -25.436 -0.603 -35.593 917 1HB PHE 121 2HB PHE 121 -22.841 -1.979 -35.021 918 2HB PHE 121 1HB PHE 121 -24.030 -2.764 -36.059 919 HD1 PHE 121 2HD PHE 121 -24.879 -1.466 -38.084 920 HD2 PHE 121 1HD PHE 121 -21.436 -0.342 -35.860 921 HE1 PHE 121 2HE PHE 121 -24.101 -0.117 -39.979 922 HE2 PHE 121 1HE PHE 121 -20.657 1.014 -37.744 923 HZ PHE 121 HZ PHE 121 -21.989 1.126 -39.806 924 H ALA 122 H ALA 122 -27.236 -0.991 -34.218 925 HA ALA 122 HA ALA 122 -27.693 -3.769 -33.712 926 1HB ALA 122 1HB ALA 122 -26.801 -3.717 -31.634 927 2HB ALA 122 2HB ALA 122 -28.381 -3.051 -31.223 928 3HB ALA 122 3HB ALA 122 -27.007 -1.974 -31.469 929 HA PRO 123 HA PRO 123 -31.407 -1.418 -35.149 930 1HB PRO 123 2HB PRO 123 -32.131 -4.280 -35.595 931 2HB PRO 123 1HB PRO 123 -32.375 -2.881 -36.647 932 1HG PRO 123 2HG PRO 123 -30.432 -4.628 -37.149 933 2HG PRO 123 1HG PRO 123 -30.178 -2.889 -37.391 934 1HD PRO 123 2HD PRO 123 -29.189 -4.666 -35.211 935 2HD PRO 123 1HD PRO 123 -28.414 -3.256 -35.959 936 H ALA 124 H ALA 124 -31.420 -4.494 -33.342 937 HA ALA 124 HA ALA 124 -32.635 -5.215 -31.558 938 1HB ALA 124 1HB ALA 124 -33.353 -2.490 -30.674 939 2HB ALA 124 2HB ALA 124 -31.631 -2.840 -30.826 940 3HB ALA 124 3HB ALA 124 -32.642 -3.828 -29.772 941 H ASP 125 H ASP 125 -34.458 -6.180 -32.221 942 HA ASP 125 HA ASP 125 -36.711 -4.534 -33.108 943 1HB ASP 125 2HB ASP 125 -35.750 -7.226 -33.715 944 2HB ASP 125 1HB ASP 125 -37.480 -7.180 -33.388 945 H GLY 126 H GLY 126 -35.918 -4.712 -30.299 946 1HA GLY 126 2HA GLY 126 -37.349 -4.513 -28.430 947 2HA GLY 126 1HA GLY 126 -38.519 -5.539 -29.247 948 H GLU 127 H GLU 127 -35.332 -5.591 -27.690 949 HA GLU 127 HA GLU 127 -35.974 -8.278 -26.686 950 1HB GLU 127 2HB GLU 127 -33.415 -7.356 -27.978 951 2HB GLU 127 1HB GLU 127 -33.458 -8.741 -26.896 952 1HG GLU 127 2HG GLU 127 -35.272 -9.669 -28.420 953 2HG GLU 127 1HG GLU 127 -34.787 -8.416 -29.562 954 H LYS 128 H LYS 128 -34.055 -8.826 -24.999 955 HA LYS 128 HA LYS 128 -34.515 -7.174 -22.786 956 1HB LYS 128 2HB LYS 128 -32.791 -9.491 -23.399 957 2HB LYS 128 1HB LYS 128 -32.240 -8.475 -22.074 958 1HG LYS 128 2HG LYS 128 -35.091 -9.195 -22.015 959 2HG LYS 128 1HG LYS 128 -33.958 -10.529 -21.795 960 1HD LYS 128 2HD LYS 128 -32.950 -9.470 -19.916 961 2HD LYS 128 1HD LYS 128 -33.807 -7.960 -20.231 962 1HE LYS 128 2HE LYS 128 -35.835 -8.808 -19.483 963 2HE LYS 128 1HE LYS 128 -35.328 -10.482 -19.704 964 1HZ LYS 128 1HZ LYS 128 -33.802 -8.931 -17.778 965 2HZ LYS 128 2HZ LYS 128 -34.330 -10.537 -17.703 966 3HZ LYS 128 3HZ LYS 128 -35.399 -9.278 -17.342 967 H SER 129 H SER 129 -33.249 -5.661 -21.720 968 HA SER 129 HA SER 129 -31.464 -4.154 -23.427 969 1HB SER 129 2HB SER 129 -31.378 -2.799 -21.103 970 2HB SER 129 1HB SER 129 -32.693 -2.620 -22.263 971 HG SER 129 HG SER 129 -34.007 -3.667 -20.961 972 H GLU 130 H GLU 130 -29.330 -3.494 -22.780 973 HA GLU 130 HA GLU 130 -28.014 -5.427 -20.986 974 1HB GLU 130 2HB GLU 130 -26.755 -4.139 -23.411 975 2HB GLU 130 1HB GLU 130 -26.080 -5.422 -22.414 976 1HG GLU 130 2HG GLU 130 -27.617 -7.006 -23.234 977 2HG GLU 130 1HG GLU 130 -28.628 -5.760 -23.963 978 H ALA 131 H ALA 131 -29.051 -3.001 -20.064 979 HA ALA 131 HA ALA 131 -28.484 -1.206 -18.787 980 1HB ALA 131 1HB ALA 131 -25.610 -2.029 -18.861 981 2HB ALA 131 2HB ALA 131 -26.795 -3.011 -17.999 982 3HB ALA 131 3HB ALA 131 -26.541 -1.328 -17.538 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 22.188 7.234 24.505 2 2H GLY 1 2HT GLY 1 20.631 7.610 25.045 3 3H GLY 1 3HT GLY 1 21.584 8.803 24.320 4 1HA GLY 1 1HA GLY 1 20.438 6.402 23.007 5 2HA GLY 1 2HA GLY 1 19.947 8.069 22.748 6 H SER 2 H SER 2 22.981 6.189 22.737 7 HA SER 2 HA SER 2 23.489 6.916 19.996 8 1HB SER 2 2HB SER 2 24.328 8.783 21.752 9 2HB SER 2 1HB SER 2 25.731 7.716 21.766 10 HG SER 2 HG SER 2 25.408 9.533 20.070 11 H HIS 3 H HIS 3 23.146 4.481 21.487 12 HA HIS 3 HA HIS 3 25.836 3.300 21.333 13 1HB HIS 3 2HB HIS 3 24.838 1.421 22.653 14 2HB HIS 3 1HB HIS 3 24.841 2.965 23.498 15 HD1 HIS 3 1HD HIS 3 22.453 4.272 23.423 16 HD2 HIS 3 2HD HIS 3 22.406 0.212 22.540 17 HE1 HIS 3 1HE HIS 3 20.057 3.554 23.688 18 HE2 HIS 3 2HE HIS 3 20.067 1.077 23.228 19 H MET 4 H MET 4 22.461 2.795 20.382 20 HA MET 4 HA MET 4 23.423 1.145 18.148 21 1HB MET 4 2HB MET 4 21.214 0.520 20.088 22 2HB MET 4 1HB MET 4 21.214 -0.159 18.467 23 1HG MET 4 2HG MET 4 23.519 -1.045 18.967 24 2HG MET 4 1HG MET 4 23.239 -0.577 20.644 25 1HE MET 4 1HE MET 4 23.709 -2.650 21.532 26 2HE MET 4 2HE MET 4 22.666 -4.072 21.554 27 3HE MET 4 3HE MET 4 22.157 -2.593 22.369 28 H ASP 5 H ASP 5 21.987 1.086 16.306 29 HA ASP 5 HA ASP 5 20.465 3.581 16.060 30 1HB ASP 5 2HB ASP 5 21.420 1.736 13.862 31 2HB ASP 5 1HB ASP 5 20.735 3.346 13.662 32 H LYS 6 H LYS 6 18.321 3.577 15.879 33 HA LYS 6 HA LYS 6 16.950 0.999 15.686 34 1HB LYS 6 2HB LYS 6 16.527 3.341 17.225 35 2HB LYS 6 1HB LYS 6 15.151 3.189 16.142 36 1HG LYS 6 2HG LYS 6 14.877 0.842 16.936 37 2HG LYS 6 1HG LYS 6 16.140 1.157 18.128 38 1HD LYS 6 2HD LYS 6 14.113 3.222 18.165 39 2HD LYS 6 1HD LYS 6 13.408 1.625 18.413 40 1HE LYS 6 2HE LYS 6 15.877 2.294 19.918 41 2HE LYS 6 1HE LYS 6 14.379 3.078 20.416 42 1HZ LYS 6 1HZ LYS 6 14.158 1.216 21.631 43 2HZ LYS 6 2HZ LYS 6 15.179 0.299 20.644 44 3HZ LYS 6 3HZ LYS 6 13.570 0.553 20.189 45 H THR 7 H THR 7 17.823 1.332 13.314 46 HA THR 7 HA THR 7 15.577 2.433 11.759 47 HB THR 7 HB THR 7 17.889 2.539 10.137 48 HG1 THR 7 1HG THR 7 18.288 3.787 12.652 49 1HG2 THR 7 1HG2 THR 7 15.777 4.063 10.406 50 2HG2 THR 7 2HG2 THR 7 17.295 4.697 9.767 51 3HG2 THR 7 3HG2 THR 7 16.857 4.986 11.451 52 H PHE 8 H PHE 8 14.861 1.195 10.062 53 HA PHE 8 HA PHE 8 16.401 -1.162 9.304 54 1HB PHE 8 2HB PHE 8 14.202 -2.509 9.480 55 2HB PHE 8 1HB PHE 8 15.149 -2.230 10.934 56 HD1 PHE 8 2HD PHE 8 13.179 0.531 9.548 57 HD2 PHE 8 1HD PHE 8 13.206 -2.730 12.289 58 HE1 PHE 8 2HE PHE 8 11.200 1.455 10.667 59 HE2 PHE 8 1HE PHE 8 11.224 -1.806 13.411 60 HZ PHE 8 HZ PHE 8 10.218 0.288 12.602 61 H CYS 9 H CYS 9 16.011 -1.956 7.288 62 HA CYS 9 HA CYS 9 14.364 -0.261 5.553 63 1HB CYS 9 2HB CYS 9 15.550 -1.426 3.700 64 2HB CYS 9 1HB CYS 9 16.656 -0.614 4.804 65 HG CYS 9 HG CYS 9 16.256 -3.702 4.801 66 H VAL 10 H VAL 10 12.370 -0.969 5.017 67 HA VAL 10 HA VAL 10 11.803 -3.842 5.338 68 HB VAL 10 HB VAL 10 10.487 -1.695 6.456 69 1HG1 VAL 10 1HG1 VAL 10 9.428 -1.048 4.380 70 2HG1 VAL 10 2HG1 VAL 10 8.224 -1.716 5.479 71 3HG1 VAL 10 3HG1 VAL 10 8.828 -2.688 4.141 72 1HG2 VAL 10 1HG2 VAL 10 8.832 -4.079 6.123 73 2HG2 VAL 10 2HG2 VAL 10 9.446 -3.313 7.588 74 3HG2 VAL 10 3HG2 VAL 10 10.480 -4.394 6.660 75 H VAL 11 H VAL 11 10.514 -4.912 3.804 76 HA VAL 11 HA VAL 11 10.159 -3.512 1.257 77 HB VAL 11 HB VAL 11 12.192 -4.699 1.003 78 1HG1 VAL 11 1HG1 VAL 11 12.333 -7.150 1.337 79 2HG1 VAL 11 2HG1 VAL 11 10.725 -7.099 2.059 80 3HG1 VAL 11 3HG1 VAL 11 12.061 -6.233 2.819 81 1HG2 VAL 11 1HG2 VAL 11 9.948 -5.176 -0.597 82 2HG2 VAL 11 2HG2 VAL 11 10.745 -6.740 -0.428 83 3HG2 VAL 11 3HG2 VAL 11 11.641 -5.358 -1.054 84 H VAL 12 H VAL 12 8.167 -3.638 0.599 85 HA VAL 12 HA VAL 12 6.363 -5.671 1.675 86 HB VAL 12 HB VAL 12 4.608 -4.248 0.526 87 1HG1 VAL 12 1HG1 VAL 12 5.703 -4.037 2.960 88 2HG1 VAL 12 2HG1 VAL 12 4.407 -2.980 2.396 89 3HG1 VAL 12 3HG1 VAL 12 6.084 -2.437 2.329 90 1HG2 VAL 12 1HG2 VAL 12 6.586 -3.203 -0.926 91 2HG2 VAL 12 2HG2 VAL 12 6.571 -2.030 0.388 92 3HG2 VAL 12 3HG2 VAL 12 5.111 -2.310 -0.558 93 H GLN 13 H GLN 13 6.467 -7.544 0.525 94 HA GLN 13 HA GLN 13 6.540 -7.374 -2.402 95 1HB GLN 13 2HB GLN 13 8.114 -8.894 -1.067 96 2HB GLN 13 1HB GLN 13 6.703 -9.898 -0.763 97 1HG GLN 13 2HG GLN 13 6.454 -10.423 -3.041 98 2HG GLN 13 1HG GLN 13 7.565 -9.147 -3.536 99 1HE2 GLN 13 1HE2 GLN 13 7.496 -12.131 -3.919 100 2HE2 GLN 13 2HE2 GLN 13 9.066 -12.662 -3.431 101 H ASN 14 H ASN 14 4.564 -7.083 -3.199 102 HA ASN 14 HA ASN 14 2.506 -9.033 -2.479 103 1HB ASN 14 2HB ASN 14 2.242 -6.045 -2.402 104 2HB ASN 14 1HB ASN 14 0.837 -7.064 -2.713 105 1HD2 ASN 14 1HD2 ASN 14 0.173 -8.543 -1.114 106 2HD2 ASN 14 2HD2 ASN 14 0.596 -8.308 0.545 107 H ARG 15 H ARG 15 1.058 -9.546 -4.104 108 HA ARG 15 HA ARG 15 1.356 -8.239 -6.690 109 1HB ARG 15 2HB ARG 15 2.996 -10.230 -6.427 110 2HB ARG 15 1HB ARG 15 1.561 -11.236 -6.577 111 1HG ARG 15 2HG ARG 15 1.354 -9.455 -8.687 112 2HG ARG 15 1HG ARG 15 3.073 -9.843 -8.615 113 1HD ARG 15 2HD ARG 15 2.436 -12.263 -8.559 114 2HD ARG 15 1HD ARG 15 0.769 -11.770 -8.859 115 HE ARG 15 HE ARG 15 2.873 -11.944 -10.771 116 1HH1 ARG 15 1HH1 ARG 15 -0.018 -10.168 -9.959 117 2HH1 ARG 15 2HH1 ARG 15 -0.343 -9.703 -11.595 118 1HH2 ARG 15 1HH2 ARG 15 2.449 -11.333 -12.924 119 2HH2 ARG 15 2HH2 ARG 15 1.057 -10.364 -13.279 120 H ILE 16 H ILE 16 -0.809 -7.601 -5.916 121 HA ILE 16 HA ILE 16 -2.824 -9.717 -6.158 122 HB ILE 16 HB ILE 16 -3.307 -6.867 -5.294 123 1HG1 ILE 16 2HG1 ILE 16 -2.872 -9.245 -3.479 124 2HG1 ILE 16 1HG1 ILE 16 -1.620 -8.063 -3.846 125 1HG2 ILE 16 1HG2 ILE 16 -4.889 -9.382 -4.786 126 2HG2 ILE 16 2HG2 ILE 16 -5.247 -8.205 -6.050 127 3HG2 ILE 16 3HG2 ILE 16 -5.346 -7.734 -4.352 128 1HD1 ILE 16 1HD1 ILE 16 -2.395 -6.685 -2.301 129 2HD1 ILE 16 2HD1 ILE 16 -3.515 -7.955 -1.808 130 3HD1 ILE 16 3HD1 ILE 16 -4.018 -6.744 -2.987 131 H LYS 17 H LYS 17 -2.179 -6.416 -7.320 132 HA LYS 17 HA LYS 17 -3.434 -7.109 -9.860 133 1HB LYS 17 2HB LYS 17 -4.236 -4.705 -8.207 134 2HB LYS 17 1HB LYS 17 -4.746 -5.002 -9.863 135 1HG LYS 17 2HG LYS 17 -5.292 -7.193 -7.988 136 2HG LYS 17 1HG LYS 17 -6.156 -5.692 -7.662 137 1HD LYS 17 2HD LYS 17 -7.627 -6.608 -9.124 138 2HD LYS 17 1HD LYS 17 -6.556 -5.831 -10.292 139 1HE LYS 17 2HE LYS 17 -5.586 -7.818 -10.928 140 2HE LYS 17 1HE LYS 17 -5.947 -8.607 -9.394 141 1HZ LYS 17 1HZ LYS 17 -7.474 -9.597 -10.735 142 2HZ LYS 17 2HZ LYS 17 -7.649 -8.255 -11.750 143 3HZ LYS 17 3HZ LYS 17 -8.394 -8.269 -10.231 144 H GLU 18 H GLU 18 -2.899 -3.773 -9.056 145 HA GLU 18 HA GLU 18 -0.253 -3.320 -9.532 146 1HB GLU 18 2HB GLU 18 -0.346 -2.658 -12.012 147 2HB GLU 18 1HB GLU 18 -0.223 -4.372 -11.638 148 1HG GLU 18 2HG GLU 18 -2.392 -4.807 -12.284 149 2HG GLU 18 1HG GLU 18 -2.905 -3.135 -12.057 150 H GLY 19 H GLY 19 -2.288 -2.165 -8.110 151 1HA GLY 19 2HA GLY 19 -1.968 0.465 -8.094 152 2HA GLY 19 1HA GLY 19 -3.068 0.302 -9.457 153 H TYR 20 H TYR 20 -2.732 -0.843 -6.110 154 HA TYR 20 HA TYR 20 -5.641 -0.554 -5.800 155 1HB TYR 20 2HB TYR 20 -4.864 -2.856 -5.529 156 2HB TYR 20 1HB TYR 20 -3.696 -2.340 -4.317 157 HD1 TYR 20 2HD TYR 20 -7.275 -1.376 -4.692 158 HD2 TYR 20 1HD TYR 20 -4.358 -3.426 -2.372 159 HE1 TYR 20 2HE TYR 20 -8.948 -1.744 -2.927 160 HE2 TYR 20 1HE TYR 20 -6.021 -3.798 -0.599 161 HH TYR 20 HH TYR 20 -8.729 -3.937 -0.615 162 H ARG 21 H ARG 21 -4.675 1.758 -5.592 163 HA ARG 21 HA ARG 21 -4.014 3.535 -4.272 164 1HB ARG 21 2HB ARG 21 -5.733 3.855 -2.475 165 2HB ARG 21 1HB ARG 21 -6.390 3.460 -4.061 166 1HG ARG 21 2HG ARG 21 -5.875 1.201 -2.243 167 2HG ARG 21 1HG ARG 21 -7.204 2.282 -1.825 168 1HD ARG 21 2HD ARG 21 -6.849 0.992 -4.526 169 2HD ARG 21 1HD ARG 21 -7.859 0.332 -3.241 170 HE ARG 21 HE ARG 21 -8.454 2.582 -4.938 171 1HH1 ARG 21 1HH1 ARG 21 -9.159 0.995 -1.910 172 2HH1 ARG 21 2HH1 ARG 21 -10.731 1.704 -1.761 173 1HH2 ARG 21 1HH2 ARG 21 -10.522 3.517 -4.742 174 2HH2 ARG 21 2HH2 ARG 21 -11.505 3.135 -3.368 175 H ARG 22 H ARG 22 -1.892 2.876 -3.626 176 HA ARG 22 HA ARG 22 -1.554 1.502 -1.092 177 1HB ARG 22 2HB ARG 22 0.004 1.062 -2.905 178 2HB ARG 22 1HB ARG 22 0.462 2.758 -2.955 179 1HG ARG 22 2HG ARG 22 0.854 1.941 -0.305 180 2HG ARG 22 1HG ARG 22 1.483 0.638 -1.312 181 1HD ARG 22 2HD ARG 22 3.344 1.874 -1.447 182 2HD ARG 22 1HD ARG 22 2.434 2.874 -2.580 183 HE ARG 22 HE ARG 22 2.384 4.535 -1.015 184 1HH1 ARG 22 1HH1 ARG 22 3.224 1.540 0.568 185 2HH1 ARG 22 2HH1 ARG 22 3.583 2.298 2.082 186 1HH2 ARG 22 1HH2 ARG 22 2.858 5.533 0.974 187 2HH2 ARG 22 2HH2 ARG 22 3.376 4.565 2.314 188 H ALA 23 H ALA 23 -3.012 3.633 -0.456 189 HA ALA 23 HA ALA 23 -2.935 5.150 1.301 190 1HB ALA 23 1HB ALA 23 -0.122 5.952 0.755 191 2HB ALA 23 2HB ALA 23 -0.431 4.405 1.544 192 3HB ALA 23 3HB ALA 23 -1.008 5.901 2.280 193 H GLY 24 H GLY 24 -1.742 5.640 -1.917 194 1HA GLY 24 2HA GLY 24 -3.352 7.600 -2.748 195 2HA GLY 24 1HA GLY 24 -2.193 8.521 -1.801 196 H PHE 25 H PHE 25 -0.090 6.508 -2.578 197 HA PHE 25 HA PHE 25 0.759 7.872 -4.976 198 1HB PHE 25 2HB PHE 25 2.172 5.590 -3.596 199 2HB PHE 25 1HB PHE 25 2.873 6.831 -4.629 200 HD1 PHE 25 2HD PHE 25 1.345 6.213 -1.311 201 HD2 PHE 25 1HD PHE 25 3.599 8.886 -3.747 202 HE1 PHE 25 2HE PHE 25 1.875 7.571 0.669 203 HE2 PHE 25 1HE PHE 25 4.131 10.245 -1.767 204 HZ PHE 25 HZ PHE 25 3.269 9.589 0.444 205 H SER 26 H SER 26 -1.238 5.314 -4.424 206 HA SER 26 HA SER 26 -1.886 3.457 -5.566 207 1HB SER 26 2HB SER 26 -1.524 4.087 -8.232 208 2HB SER 26 1HB SER 26 -2.934 4.498 -7.249 209 HG SER 26 HG SER 26 -0.698 6.097 -7.897 210 H PHE 27 H PHE 27 -0.132 2.246 -4.737 211 HA PHE 27 HA PHE 27 2.296 1.903 -6.133 212 1HB PHE 27 2HB PHE 27 1.961 1.405 -3.728 213 2HB PHE 27 1HB PHE 27 0.947 0.041 -4.171 214 HD1 PHE 27 1HD PHE 27 4.075 1.002 -5.883 215 HD2 PHE 27 2HD PHE 27 2.184 -1.651 -3.146 216 HE1 PHE 27 1HE PHE 27 6.062 -0.451 -5.931 217 HE2 PHE 27 2HE PHE 27 4.163 -3.117 -3.199 218 HZ PHE 27 HZ PHE 27 6.107 -2.515 -4.587 219 H HIS 28 H HIS 28 2.988 0.116 -7.412 220 HA HIS 28 HA HIS 28 0.918 -0.944 -9.119 221 1HB HIS 28 2HB HIS 28 3.912 -1.361 -9.166 222 2HB HIS 28 1HB HIS 28 2.792 -1.880 -10.421 223 HD1 HIS 28 1HD HIS 28 3.778 1.384 -8.721 224 HD2 HIS 28 2HD HIS 28 2.547 -0.071 -12.413 225 HE1 HIS 28 1HE HIS 28 3.846 3.358 -10.278 226 HE2 HIS 28 2HE HIS 28 3.173 2.436 -12.524 227 H LEU 29 H LEU 29 1.469 -1.889 -6.203 228 HA LEU 29 HA LEU 29 1.506 -3.822 -5.011 229 1HB LEU 29 2HB LEU 29 -0.237 -4.361 -7.367 230 2HB LEU 29 1HB LEU 29 0.135 -5.687 -6.279 231 HG LEU 29 HG LEU 29 -0.737 -3.257 -4.895 232 1HD1 LEU 29 1HD1 LEU 29 -2.609 -2.787 -5.970 233 2HD1 LEU 29 2HD1 LEU 29 -3.131 -4.467 -5.872 234 3HD1 LEU 29 3HD1 LEU 29 -2.153 -3.924 -7.235 235 1HD2 LEU 29 1HD2 LEU 29 -0.991 -4.869 -3.389 236 2HD2 LEU 29 2HD2 LEU 29 -0.834 -6.129 -4.611 237 3HD2 LEU 29 3HD2 LEU 29 -2.408 -5.399 -4.295 238 H GLY 30 H GLY 30 3.778 -4.030 -5.244 239 1HA GLY 30 2HA GLY 30 4.544 -6.562 -6.449 240 2HA GLY 30 1HA GLY 30 5.390 -5.139 -7.034 241 H ASP 31 H ASP 31 7.378 -5.336 -6.202 242 HA ASP 31 HA ASP 31 7.586 -5.638 -3.278 243 1HB ASP 31 2HB ASP 31 10.035 -6.416 -4.028 244 2HB ASP 31 1HB ASP 31 8.693 -7.540 -3.867 245 H ASN 32 H ASN 32 8.183 -3.804 -2.338 246 HA ASN 32 HA ASN 32 10.169 -2.119 -3.720 247 1HB ASN 32 2HB ASN 32 7.618 -1.345 -3.603 248 2HB ASN 32 1HB ASN 32 8.122 -0.794 -2.007 249 1HD2 ASN 32 1HD2 ASN 32 7.696 1.341 -2.766 250 2HD2 ASN 32 2HD2 ASN 32 8.860 2.169 -3.737 251 H SER 33 H SER 33 11.870 -1.529 -2.502 252 HA SER 33 HA SER 33 11.944 -2.430 0.253 253 1HB SER 33 2HB SER 33 14.366 -1.363 -0.027 254 2HB SER 33 1HB SER 33 13.976 -2.970 -0.644 255 HG SER 33 HG SER 33 13.919 -2.202 -2.669 256 H LEU 34 H LEU 34 12.321 -1.179 2.011 257 HA LEU 34 HA LEU 34 11.788 1.696 1.668 258 1HB LEU 34 2HB LEU 34 9.988 0.670 2.842 259 2HB LEU 34 1HB LEU 34 11.071 -0.250 3.859 260 HG LEU 34 HG LEU 34 9.784 1.767 4.814 261 1HD1 LEU 34 1HD1 LEU 34 11.229 0.510 6.152 262 2HD1 LEU 34 2HD1 LEU 34 11.788 2.174 6.319 263 3HD1 LEU 34 3HD1 LEU 34 12.653 1.047 5.269 264 1HD2 LEU 34 1HD2 LEU 34 10.397 3.841 4.298 265 2HD2 LEU 34 2HD2 LEU 34 11.198 3.144 2.892 266 3HD2 LEU 34 3HD2 LEU 34 12.112 3.444 4.371 267 H ALA 35 H ALA 35 13.105 3.172 2.656 268 HA ALA 35 HA ALA 35 15.751 2.405 3.294 269 1HB ALA 35 1HB ALA 35 14.236 4.944 3.135 270 2HB ALA 35 2HB ALA 35 15.770 4.490 2.394 271 3HB ALA 35 3HB ALA 35 15.711 4.934 4.100 272 H ALA 36 H ALA 36 16.829 2.864 5.318 273 HA ALA 36 HA ALA 36 15.396 1.766 7.494 274 1HB ALA 36 1HB ALA 36 17.403 1.532 8.491 275 2HB ALA 36 2HB ALA 36 17.903 3.180 8.108 276 3HB ALA 36 3HB ALA 36 18.012 1.918 6.881 277 H VAL 37 H VAL 37 13.915 2.754 8.575 278 HA VAL 37 HA VAL 37 14.313 5.544 9.430 279 HB VAL 37 HB VAL 37 11.596 4.370 8.872 280 1HG1 VAL 37 1HG1 VAL 37 11.141 6.263 10.010 281 2HG1 VAL 37 2HG1 VAL 37 11.358 6.997 8.421 282 3HG1 VAL 37 3HG1 VAL 37 12.679 7.019 9.590 283 1HG2 VAL 37 1HG2 VAL 37 13.596 5.137 6.928 284 2HG2 VAL 37 2HG2 VAL 37 12.138 6.120 6.786 285 3HG2 VAL 37 3HG2 VAL 37 12.029 4.362 6.691 286 H SER 38 H SER 38 12.861 6.081 11.342 287 HA SER 38 HA SER 38 13.460 4.462 13.510 288 1HB SER 38 2HB SER 38 12.687 6.926 13.452 289 2HB SER 38 1HB SER 38 11.052 6.267 13.491 290 HG SER 38 HG SER 38 11.846 5.062 15.405 291 H GLU 39 H GLU 39 10.231 4.873 12.028 292 HA GLU 39 HA GLU 39 9.641 2.092 12.193 293 1HB GLU 39 2HB GLU 39 9.460 2.867 14.599 294 2HB GLU 39 1HB GLU 39 8.067 3.815 14.096 295 1HG GLU 39 2HG GLU 39 7.576 1.267 13.103 296 2HG GLU 39 1HG GLU 39 8.266 1.002 14.704 297 H SER 40 H SER 40 8.807 5.310 11.360 298 HA SER 40 HA SER 40 6.195 5.313 10.661 299 1HB SER 40 2HB SER 40 8.562 6.435 9.167 300 2HB SER 40 1HB SER 40 6.898 6.753 8.677 301 HG SER 40 HG SER 40 6.540 7.801 10.588 302 H GLN 41 H GLN 41 8.753 3.564 9.005 303 HA GLN 41 HA GLN 41 7.306 2.948 6.655 304 1HB GLN 41 2HB GLN 41 8.981 1.214 6.292 305 2HB GLN 41 1HB GLN 41 9.709 2.743 6.739 306 1HG GLN 41 2HG GLN 41 10.926 1.159 7.917 307 2HG GLN 41 1HG GLN 41 9.812 1.823 9.106 308 1HE2 GLN 41 1HE2 GLN 41 8.501 -0.340 6.754 309 2HE2 GLN 41 2HE2 GLN 41 8.356 -1.710 7.789 310 H LEU 42 H LEU 42 7.682 1.248 9.727 311 HA LEU 42 HA LEU 42 6.333 -1.096 8.925 312 1HB LEU 42 2HB LEU 42 7.802 -1.060 10.860 313 2HB LEU 42 1HB LEU 42 6.741 0.075 11.674 314 HG LEU 42 HG LEU 42 4.992 -1.923 11.264 315 1HD1 LEU 42 1HD1 LEU 42 6.419 -3.992 11.993 316 2HD1 LEU 42 2HD1 LEU 42 7.714 -3.131 11.161 317 3HD1 LEU 42 3HD1 LEU 42 6.247 -3.575 10.288 318 1HD2 LEU 42 1HD2 LEU 42 5.744 -2.728 13.593 319 2HD2 LEU 42 2HD2 LEU 42 5.211 -1.057 13.412 320 3HD2 LEU 42 3HD2 LEU 42 6.934 -1.429 13.493 321 H ALA 43 H ALA 43 5.210 1.935 10.272 322 HA ALA 43 HA ALA 43 2.501 0.902 10.535 323 1HB ALA 43 1HB ALA 43 3.012 3.765 10.982 324 2HB ALA 43 2HB ALA 43 3.862 2.646 12.047 325 3HB ALA 43 3HB ALA 43 2.103 2.603 11.948 326 H GLN 44 H GLN 44 4.380 2.984 8.433 327 HA GLN 44 HA GLN 44 2.200 4.219 7.114 328 1HB GLN 44 2HB GLN 44 4.464 5.123 6.969 329 2HB GLN 44 1HB GLN 44 5.010 3.674 6.138 330 1HG GLN 44 2HG GLN 44 4.689 5.505 4.583 331 2HG GLN 44 1HG GLN 44 3.560 4.191 4.253 332 1HE2 GLN 44 1HE2 GLN 44 3.909 7.485 4.857 333 2HE2 GLN 44 2HE2 GLN 44 2.238 7.887 5.034 334 H LEU 45 H LEU 45 4.069 1.289 6.474 335 HA LEU 45 HA LEU 45 2.599 0.665 4.082 336 1HB LEU 45 2HB LEU 45 4.610 -0.849 5.726 337 2HB LEU 45 1HB LEU 45 3.842 -1.532 4.303 338 1HD1 LEU 45 1HD1 LEU 45 7.008 -0.748 3.009 339 2HD1 LEU 45 2HD1 LEU 45 6.358 -1.722 4.327 340 3HD1 LEU 45 3HD1 LEU 45 7.191 -0.208 4.677 341 1HD2 LEU 45 1HD2 LEU 45 5.108 -0.757 1.902 342 2HD2 LEU 45 2HD2 LEU 45 5.094 1.005 1.985 343 3HD2 LEU 45 3HD2 LEU 45 3.655 0.089 2.435 344 H LYS 46 H LYS 46 2.746 -0.610 7.372 345 HA LYS 46 HA LYS 46 0.851 -2.648 7.078 346 1HB LYS 46 2HB LYS 46 2.412 -2.387 9.005 347 2HB LYS 46 1HB LYS 46 1.422 -1.052 9.578 348 1HG LYS 46 2HG LYS 46 -0.283 -3.275 9.125 349 2HG LYS 46 1HG LYS 46 1.109 -3.829 10.057 350 1HD LYS 46 2HD LYS 46 0.186 -1.303 11.072 351 2HD LYS 46 1HD LYS 46 -1.154 -2.447 10.993 352 1HE LYS 46 2HE LYS 46 -0.266 -2.849 13.094 353 2HE LYS 46 1HE LYS 46 0.499 -4.094 12.108 354 1HZ LYS 46 1HZ LYS 46 2.335 -2.291 11.850 355 2HZ LYS 46 2HZ LYS 46 2.279 -3.248 13.243 356 3HZ LYS 46 3HZ LYS 46 1.672 -1.670 13.277 357 H ALA 47 H ALA 47 0.432 0.747 7.165 358 HA ALA 47 HA ALA 47 -1.959 1.218 8.371 359 1HB ALA 47 1HB ALA 47 -0.680 2.357 5.936 360 2HB ALA 47 2HB ALA 47 -1.024 3.114 7.491 361 3HB ALA 47 3HB ALA 47 -2.329 2.835 6.338 362 H ASP 48 H ASP 48 -1.476 -0.264 5.197 363 HA ASP 48 HA ASP 48 -4.365 -0.611 4.903 364 1HB ASP 48 2HB ASP 48 -2.371 -0.021 3.071 365 2HB ASP 48 1HB ASP 48 -2.705 -1.725 2.775 366 HA PRO 49 HA PRO 49 -3.738 -4.814 6.336 367 1HB PRO 49 2HB PRO 49 -6.301 -5.456 6.698 368 2HB PRO 49 1HB PRO 49 -5.498 -4.288 7.753 369 1HG PRO 49 2HG PRO 49 -7.367 -3.808 5.471 370 2HG PRO 49 1HG PRO 49 -7.280 -2.988 7.040 371 1HD PRO 49 2HD PRO 49 -6.192 -2.024 4.679 372 2HD PRO 49 1HD PRO 49 -5.694 -1.526 6.307 373 H ARG 50 H ARG 50 -3.366 -4.513 3.596 374 HA ARG 50 HA ARG 50 -4.789 -6.873 2.600 375 1HB ARG 50 2HB ARG 50 -5.109 -4.203 1.609 376 2HB ARG 50 1HB ARG 50 -4.352 -5.190 0.366 377 1HG ARG 50 2HG ARG 50 -6.519 -5.613 -0.130 378 2HG ARG 50 1HG ARG 50 -6.273 -6.878 1.075 379 1HD ARG 50 2HD ARG 50 -6.977 -4.662 2.575 380 2HD ARG 50 1HD ARG 50 -8.005 -4.547 1.147 381 HE ARG 50 HE ARG 50 -8.119 -7.177 2.056 382 1HH1 ARG 50 1HH1 ARG 50 -9.031 -3.992 3.155 383 2HH1 ARG 50 2HH1 ARG 50 -10.358 -4.565 4.108 384 1HH2 ARG 50 1HH2 ARG 50 -9.864 -7.931 3.308 385 2HH2 ARG 50 2HH2 ARG 50 -10.832 -6.801 4.195 386 H LEU 51 H LEU 51 -2.004 -4.712 2.309 387 HA LEU 51 HA LEU 51 -0.603 -6.719 0.723 388 1HB LEU 51 2HB LEU 51 0.680 -4.161 1.593 389 2HB LEU 51 1HB LEU 51 0.951 -5.102 0.138 390 HG LEU 51 HG LEU 51 -0.112 -3.197 -0.651 391 1HD1 LEU 51 1HD1 LEU 51 -2.527 -4.906 -0.201 392 2HD1 LEU 51 2HD1 LEU 51 -1.213 -5.434 -1.250 393 3HD1 LEU 51 3HD1 LEU 51 -2.089 -3.946 -1.613 394 1HD2 LEU 51 1HD2 LEU 51 -2.458 -3.178 1.108 395 2HD2 LEU 51 2HD2 LEU 51 -1.466 -1.845 0.516 396 3HD2 LEU 51 3HD2 LEU 51 -0.931 -2.792 1.904 397 H VAL 52 H VAL 52 2.048 -6.298 1.619 398 HA VAL 52 HA VAL 52 1.907 -7.172 4.425 399 HB VAL 52 HB VAL 52 3.282 -9.031 4.095 400 1HG1 VAL 52 1HG1 VAL 52 0.899 -8.903 2.826 401 2HG1 VAL 52 2HG1 VAL 52 1.876 -10.365 2.958 402 3HG1 VAL 52 3HG1 VAL 52 1.958 -9.378 1.498 403 1HG2 VAL 52 1HG2 VAL 52 4.196 -9.429 1.656 404 2HG2 VAL 52 2HG2 VAL 52 5.082 -8.430 2.809 405 3HG2 VAL 52 3HG2 VAL 52 4.083 -7.670 1.570 406 H VAL 53 H VAL 53 3.371 -6.356 5.765 407 HA VAL 53 HA VAL 53 5.800 -5.117 4.649 408 HB VAL 53 HB VAL 53 4.495 -3.217 5.058 409 1HG1 VAL 53 1HG1 VAL 53 2.615 -3.932 6.213 410 2HG1 VAL 53 2HG1 VAL 53 3.422 -2.887 7.384 411 3HG1 VAL 53 3HG1 VAL 53 3.566 -4.640 7.519 412 1HG2 VAL 53 1HG2 VAL 53 6.794 -3.621 6.512 413 2HG2 VAL 53 2HG2 VAL 53 5.662 -2.997 7.713 414 3HG2 VAL 53 3HG2 VAL 53 5.993 -2.072 6.249 415 H GLN 54 H GLN 54 7.454 -6.232 5.446 416 HA GLN 54 HA GLN 54 7.369 -7.022 8.286 417 1HB GLN 54 2HB GLN 54 7.893 -8.660 5.881 418 2HB GLN 54 1HB GLN 54 8.966 -8.938 7.247 419 1HG GLN 54 2HG GLN 54 6.195 -8.816 8.067 420 2HG GLN 54 1HG GLN 54 6.467 -10.052 6.840 421 1HE2 GLN 54 1HE2 GLN 54 5.763 -10.428 9.603 422 2HE2 GLN 54 2HE2 GLN 54 7.033 -11.352 10.324 423 H ILE 55 H ILE 55 9.006 -6.316 9.466 424 HA ILE 55 HA ILE 55 11.265 -5.004 8.180 425 HB ILE 55 HB ILE 55 11.874 -4.269 10.441 426 1HG1 ILE 55 2HG1 ILE 55 9.756 -4.816 12.079 427 2HG1 ILE 55 1HG1 ILE 55 9.893 -6.324 11.183 428 1HG2 ILE 55 1HG2 ILE 55 9.019 -3.849 9.598 429 2HG2 ILE 55 2HG2 ILE 55 10.415 -2.821 9.274 430 3HG2 ILE 55 3HG2 ILE 55 9.775 -2.950 10.912 431 1HD1 ILE 55 1HD1 ILE 55 11.404 -6.892 12.709 432 2HD1 ILE 55 2HD1 ILE 55 11.585 -5.232 13.273 433 3HD1 ILE 55 3HD1 ILE 55 12.492 -5.789 11.867 434 H THR 56 H THR 56 13.203 -5.899 7.927 435 HA THR 56 HA THR 56 13.874 -8.278 9.529 436 HB THR 56 HB THR 56 15.308 -8.872 7.447 437 HG1 THR 56 1HG THR 56 14.773 -6.774 6.459 438 1HG2 THR 56 1HG2 THR 56 12.427 -9.270 7.868 439 2HG2 THR 56 2HG2 THR 56 13.716 -10.444 7.602 440 3HG2 THR 56 3HG2 THR 56 13.017 -9.576 6.234 441 H GLU 57 H GLU 57 15.282 -7.543 10.995 442 HA GLU 57 HA GLU 57 17.360 -5.651 10.177 443 1HB GLU 57 2HB GLU 57 15.811 -5.786 12.447 444 2HB GLU 57 1HB GLU 57 17.329 -6.494 12.985 445 1HG GLU 57 2HG GLU 57 18.451 -4.544 12.841 446 2HG GLU 57 1HG GLU 57 17.534 -3.991 11.441 447 H THR 58 H THR 58 17.203 -8.565 12.235 448 HA THR 58 HA THR 58 19.864 -9.304 11.206 449 HB THR 58 HB THR 58 20.078 -8.771 13.527 450 HG1 THR 58 1HG THR 58 19.845 -11.589 13.349 451 1HG2 THR 58 1HG2 THR 58 17.878 -10.718 14.159 452 2HG2 THR 58 2HG2 THR 58 17.684 -8.965 14.138 453 3HG2 THR 58 3HG2 THR 58 18.787 -9.718 15.292 454 H GLY 59 H GLY 59 19.535 -10.822 9.698 455 1HA GLY 59 2HA GLY 59 17.339 -12.624 9.703 456 2HA GLY 59 1HA GLY 59 18.752 -12.720 8.662 457 H SER 60 H SER 60 17.056 -14.364 10.912 458 HA SER 60 HA SER 60 19.056 -16.343 11.249 459 1HB SER 60 2HB SER 60 19.516 -14.362 12.986 460 2HB SER 60 1HB SER 60 18.305 -15.247 13.913 461 HG SER 60 HG SER 60 20.901 -15.857 13.456 462 H GLN 61 H GLN 61 16.982 -17.135 10.218 463 HA GLN 61 HA GLN 61 15.560 -18.699 12.141 464 1HB GLN 61 2HB GLN 61 14.383 -16.203 11.185 465 2HB GLN 61 1HB GLN 61 13.359 -17.597 10.871 466 1HG GLN 61 2HG GLN 61 13.048 -18.048 13.099 467 2HG GLN 61 1HG GLN 61 14.542 -17.244 13.580 468 1HE2 GLN 61 1HE2 GLN 61 11.258 -16.717 12.456 469 2HE2 GLN 61 2HE2 GLN 61 11.090 -15.127 13.109 470 H GLU 62 H GLU 62 16.354 -20.397 10.886 471 HA GLU 62 HA GLU 62 15.420 -20.573 8.115 472 1HB GLU 62 2HB GLU 62 17.646 -21.761 9.659 473 2HB GLU 62 1HB GLU 62 16.906 -22.810 8.458 474 1HG GLU 62 2HG GLU 62 18.565 -21.830 7.231 475 2HG GLU 62 1HG GLU 62 17.210 -20.757 6.886 476 H GLY 63 H GLY 63 13.604 -20.866 10.383 477 1HA GLY 63 2HA GLY 63 12.651 -23.585 9.763 478 2HA GLY 63 1HA GLY 63 12.708 -23.030 11.429 479 H GLY 64 H GLY 64 10.391 -23.915 9.957 480 1HA GLY 64 2HA GLY 64 8.593 -21.842 10.692 481 2HA GLY 64 1HA GLY 64 8.787 -21.889 8.945 482 H GLU 65 H GLU 65 6.743 -22.780 11.230 483 HA GLU 65 HA GLU 65 6.201 -25.478 10.266 484 1HB GLU 65 2HB GLU 65 6.093 -24.681 12.738 485 2HB GLU 65 1HB GLU 65 4.529 -24.015 12.286 486 1HG GLU 65 2HG GLU 65 4.203 -26.478 11.338 487 2HG GLU 65 1HG GLU 65 5.379 -26.830 12.603 488 H GLY 66 H GLY 66 4.930 -22.230 10.077 489 1HA GLY 66 2HA GLY 66 3.700 -22.032 7.823 490 2HA GLY 66 1HA GLY 66 2.617 -23.213 8.543 491 H LEU 67 H LEU 67 0.773 -22.177 8.955 492 HA LEU 67 HA LEU 67 0.922 -19.715 10.557 493 1HB LEU 67 2HB LEU 67 -1.038 -20.247 8.322 494 2HB LEU 67 1HB LEU 67 -1.012 -18.826 9.350 495 HG LEU 67 HG LEU 67 1.533 -18.835 8.310 496 1HD1 LEU 67 1HD1 LEU 67 1.335 -20.452 6.681 497 2HD1 LEU 67 2HD1 LEU 67 0.924 -18.988 5.787 498 3HD1 LEU 67 3HD1 LEU 67 -0.354 -20.066 6.351 499 1HD2 LEU 67 1HD2 LEU 67 0.106 -16.891 8.558 500 2HD2 LEU 67 2HD2 LEU 67 -0.934 -17.460 7.253 501 3HD2 LEU 67 3HD2 LEU 67 0.728 -16.981 6.910 502 H SER 68 H SER 68 -1.602 -19.253 11.200 503 HA SER 68 HA SER 68 -2.198 -21.137 13.171 504 1HB SER 68 2HB SER 68 -3.024 -18.612 12.676 505 2HB SER 68 1HB SER 68 -4.456 -19.505 12.164 506 HG SER 68 HG SER 68 -4.812 -19.306 14.269 507 H LYS 69 H LYS 69 -4.833 -21.741 13.141 508 HA LYS 69 HA LYS 69 -4.953 -24.064 11.587 509 1HB LYS 69 2HB LYS 69 -7.234 -22.527 12.842 510 2HB LYS 69 1HB LYS 69 -7.309 -24.192 12.282 511 1HG LYS 69 2HG LYS 69 -6.145 -24.994 14.060 512 2HG LYS 69 1HG LYS 69 -5.218 -23.506 14.267 513 1HD LYS 69 2HD LYS 69 -7.663 -22.582 14.853 514 2HD LYS 69 1HD LYS 69 -7.867 -24.264 15.347 515 1HE LYS 69 2HE LYS 69 -5.636 -23.931 16.597 516 2HE LYS 69 1HE LYS 69 -5.950 -22.209 16.390 517 1HZ LYS 69 1HZ LYS 69 -7.315 -24.159 18.073 518 2HZ LYS 69 2HZ LYS 69 -8.283 -22.973 17.354 519 3HZ LYS 69 3HZ LYS 69 -6.996 -22.521 18.354 520 H GLU 70 H GLU 70 -6.884 -24.524 10.087 521 HA GLU 70 HA GLU 70 -7.641 -22.292 8.395 522 1HB GLU 70 2HB GLU 70 -5.758 -24.458 7.540 523 2HB GLU 70 1HB GLU 70 -6.873 -23.770 6.367 524 1HG GLU 70 2HG GLU 70 -5.960 -21.560 6.755 525 2HG GLU 70 1HG GLU 70 -4.884 -22.203 7.995 526 HA PRO 71 HA PRO 71 -11.296 -24.741 8.018 527 1HB PRO 71 2HB PRO 71 -12.358 -23.720 5.747 528 2HB PRO 71 1HB PRO 71 -12.326 -22.823 7.270 529 1HG PRO 71 2HG PRO 71 -10.495 -22.616 4.909 530 2HG PRO 71 1HG PRO 71 -11.214 -21.321 5.884 531 1HD PRO 71 2HD PRO 71 -8.659 -22.168 6.222 532 2HD PRO 71 1HD PRO 71 -9.645 -21.536 7.556 533 H ALA 72 H ALA 72 -9.411 -26.433 7.430 534 HA ALA 72 HA ALA 72 -9.720 -27.356 4.671 535 1HB ALA 72 1HB ALA 72 -7.953 -29.068 5.513 536 2HB ALA 72 2HB ALA 72 -7.760 -27.935 6.852 537 3HB ALA 72 3HB ALA 72 -7.470 -27.401 5.196 538 H GLY 73 H GLY 73 -10.597 -29.320 4.120 539 1HA GLY 73 2HA GLY 73 -11.639 -31.011 6.285 540 2HA GLY 73 1HA GLY 73 -12.758 -30.402 5.075 541 H SER 74 H SER 74 -9.497 -31.841 4.976 542 HA SER 74 HA SER 74 -8.645 -33.597 3.811 543 1HB SER 74 2HB SER 74 -11.461 -34.376 4.267 544 2HB SER 74 1HB SER 74 -10.641 -35.230 2.960 545 HG SER 74 HG SER 74 -8.982 -35.744 4.477 546 H ASP 75 H ASP 75 -11.743 -33.416 2.090 547 HA ASP 75 HA ASP 75 -10.364 -32.278 -0.233 548 1HB ASP 75 2HB ASP 75 -10.815 -34.942 -0.142 549 2HB ASP 75 1HB ASP 75 -12.343 -34.399 -0.830 550 H GLU 76 H GLU 76 -12.151 -31.918 -2.035 551 HA GLU 76 HA GLU 76 -13.943 -30.679 -2.687 552 1HB GLU 76 2HB GLU 76 -15.063 -32.680 -1.491 553 2HB GLU 76 1HB GLU 76 -15.374 -31.542 -0.188 554 1HG GLU 76 2HG GLU 76 -16.877 -30.326 -1.418 555 2HG GLU 76 1HG GLU 76 -16.169 -30.808 -2.959 556 H GLN 77 H GLN 77 -12.717 -28.751 -2.293 557 HA GLN 77 HA GLN 77 -13.818 -27.168 -0.073 558 1HB GLN 77 2HB GLN 77 -11.261 -28.020 -0.036 559 2HB GLN 77 1HB GLN 77 -11.061 -26.536 -0.955 560 1HG GLN 77 2HG GLN 77 -12.699 -26.252 1.453 561 2HG GLN 77 1HG GLN 77 -11.024 -26.715 1.752 562 1HE2 GLN 77 1HE2 GLN 77 -9.860 -25.008 2.238 563 2HE2 GLN 77 2HE2 GLN 77 -9.959 -23.455 1.489 564 H LYS 78 H LYS 78 -12.100 -27.029 -3.183 565 HA LYS 78 HA LYS 78 -12.252 -25.599 -4.945 566 1HB LYS 78 2HB LYS 78 -14.965 -25.484 -3.730 567 2HB LYS 78 1HB LYS 78 -14.559 -24.254 -4.919 568 1HG LYS 78 2HG LYS 78 -13.718 -26.641 -6.067 569 2HG LYS 78 1HG LYS 78 -15.258 -27.027 -5.297 570 1HD LYS 78 2HD LYS 78 -16.362 -25.255 -6.493 571 2HD LYS 78 1HD LYS 78 -14.825 -24.684 -7.148 572 1HE LYS 78 2HE LYS 78 -14.737 -27.209 -8.012 573 2HE LYS 78 1HE LYS 78 -16.487 -27.009 -7.931 574 1HZ LYS 78 1HZ LYS 78 -14.542 -25.678 -9.665 575 2HZ LYS 78 2HZ LYS 78 -15.908 -24.799 -9.193 576 3HZ LYS 78 3HZ LYS 78 -16.090 -26.260 -10.026 577 H GLN 79 H GLN 79 -12.127 -23.346 -5.557 578 HA GLN 79 HA GLN 79 -12.448 -21.194 -3.805 579 1HB GLN 79 2HB GLN 79 -9.984 -22.717 -3.438 580 2HB GLN 79 1HB GLN 79 -9.684 -21.020 -3.785 581 1HG GLN 79 2HG GLN 79 -11.763 -21.559 -1.776 582 2HG GLN 79 1HG GLN 79 -10.119 -22.007 -1.322 583 1HE2 GLN 79 1HE2 GLN 79 -12.183 -19.724 -0.763 584 2HE2 GLN 79 2HE2 GLN 79 -11.184 -18.316 -0.769 585 H LEU 80 H LEU 80 -10.544 -22.570 -6.432 586 HA LEU 80 HA LEU 80 -9.625 -20.265 -7.658 587 1HB LEU 80 2HB LEU 80 -10.599 -22.789 -8.997 588 2HB LEU 80 1HB LEU 80 -9.580 -21.571 -9.740 589 HG LEU 80 HG LEU 80 -8.558 -22.756 -7.229 590 1HD1 LEU 80 1HD1 LEU 80 -8.323 -24.334 -9.767 591 2HD1 LEU 80 2HD1 LEU 80 -9.614 -24.639 -8.605 592 3HD1 LEU 80 3HD1 LEU 80 -7.929 -24.819 -8.119 593 1HD2 LEU 80 1HD2 LEU 80 -6.974 -22.627 -9.712 594 2HD2 LEU 80 2HD2 LEU 80 -6.553 -22.150 -8.068 595 3HD2 LEU 80 3HD2 LEU 80 -7.538 -21.085 -9.071 596 H ARG 81 H ARG 81 -10.548 -18.627 -8.707 597 HA ARG 81 HA ARG 81 -13.341 -18.936 -9.594 598 1HB ARG 81 2HB ARG 81 -12.007 -16.545 -8.319 599 2HB ARG 81 1HB ARG 81 -13.579 -16.475 -9.106 600 1HG ARG 81 2HG ARG 81 -12.941 -18.286 -6.790 601 2HG ARG 81 1HG ARG 81 -13.663 -16.684 -6.627 602 1HD ARG 81 2HD ARG 81 -14.836 -18.954 -8.228 603 2HD ARG 81 1HD ARG 81 -15.329 -18.515 -6.593 604 HE ARG 81 HE ARG 81 -15.539 -16.238 -8.186 605 1HH1 ARG 81 1HH1 ARG 81 -17.015 -19.389 -7.913 606 2HH1 ARG 81 2HH1 ARG 81 -18.540 -18.866 -8.545 607 1HH2 ARG 81 1HH2 ARG 81 -17.546 -15.549 -9.015 608 2HH2 ARG 81 2HH2 ARG 81 -18.842 -16.688 -9.171 609 H ALA 82 H ALA 82 -10.878 -19.342 -11.109 610 HA ALA 82 HA ALA 82 -11.299 -17.272 -13.164 611 1HB ALA 82 1HB ALA 82 -9.202 -16.649 -12.503 612 2HB ALA 82 2HB ALA 82 -8.786 -17.865 -13.711 613 3HB ALA 82 3HB ALA 82 -8.755 -18.278 -11.997 614 H ASP 83 H ASP 83 -10.941 -17.957 -15.349 615 HA ASP 83 HA ASP 83 -12.114 -20.366 -16.035 616 1HB ASP 83 2HB ASP 83 -11.618 -18.262 -17.472 617 2HB ASP 83 1HB ASP 83 -10.091 -19.062 -17.833 618 HA PRO 84 HA PRO 84 -8.642 -23.041 -14.858 619 1HB PRO 84 2HB PRO 84 -10.545 -25.135 -15.709 620 2HB PRO 84 1HB PRO 84 -9.700 -24.942 -14.171 621 1HG PRO 84 2HG PRO 84 -12.323 -24.469 -14.379 622 2HG PRO 84 1HG PRO 84 -11.286 -23.485 -13.328 623 1HD PRO 84 2HD PRO 84 -12.377 -22.854 -16.045 624 2HD PRO 84 1HD PRO 84 -12.223 -21.803 -14.622 625 HA PRO 85 HA PRO 85 -7.004 -23.954 -18.865 626 1HB PRO 85 2HB PRO 85 -5.211 -25.883 -18.263 627 2HB PRO 85 1HB PRO 85 -4.975 -24.193 -17.801 628 1HG PRO 85 2HG PRO 85 -5.974 -26.486 -16.154 629 2HG PRO 85 1HG PRO 85 -4.818 -25.214 -15.715 630 1HD PRO 85 2HD PRO 85 -7.433 -25.160 -14.971 631 2HD PRO 85 1HD PRO 85 -6.479 -23.690 -15.257 632 H SER 86 H SER 86 -9.411 -24.982 -18.945 633 HA SER 86 HA SER 86 -9.031 -27.554 -20.231 634 1HB SER 86 2HB SER 86 -10.983 -27.204 -17.943 635 2HB SER 86 1HB SER 86 -10.902 -28.614 -18.998 636 HG SER 86 HG SER 86 -9.727 -28.720 -16.924 637 H THR 87 H THR 87 -10.690 -28.097 -21.692 638 HA THR 87 HA THR 87 -12.234 -27.654 -23.294 639 HB THR 87 HB THR 87 -13.457 -26.056 -21.035 640 HG1 THR 87 1HG THR 87 -13.806 -28.016 -20.383 641 1HG2 THR 87 1HG2 THR 87 -15.088 -25.370 -22.352 642 2HG2 THR 87 2HG2 THR 87 -15.404 -27.030 -22.857 643 3HG2 THR 87 3HG2 THR 87 -14.240 -26.046 -23.743 644 H ASP 88 H ASP 88 -12.674 -24.476 -21.807 645 HA ASP 88 HA ASP 88 -12.342 -22.371 -22.605 646 1HB ASP 88 2HB ASP 88 -9.906 -23.575 -22.635 647 2HB ASP 88 1HB ASP 88 -10.061 -23.119 -24.329 648 H LEU 89 H LEU 89 -14.155 -23.994 -24.038 649 HA LEU 89 HA LEU 89 -13.732 -23.088 -26.806 650 1HB LEU 89 2HB LEU 89 -14.940 -25.520 -25.638 651 2HB LEU 89 1HB LEU 89 -15.765 -24.851 -27.034 652 HG LEU 89 HG LEU 89 -14.239 -26.535 -27.791 653 1HD1 LEU 89 1HD1 LEU 89 -13.197 -25.366 -29.483 654 2HD1 LEU 89 2HD1 LEU 89 -12.758 -24.022 -28.429 655 3HD1 LEU 89 3HD1 LEU 89 -14.428 -24.216 -28.959 656 1HD2 LEU 89 1HD2 LEU 89 -11.936 -26.608 -27.279 657 2HD2 LEU 89 2HD2 LEU 89 -12.768 -26.358 -25.744 658 3HD2 LEU 89 3HD2 LEU 89 -11.971 -25.004 -26.547 659 H ASN 90 H ASN 90 -15.667 -22.688 -24.011 660 HA ASN 90 HA ASN 90 -18.160 -22.033 -24.950 661 1HB ASN 90 2HB ASN 90 -16.606 -20.605 -22.781 662 2HB ASN 90 1HB ASN 90 -18.349 -20.509 -23.014 663 1HD2 ASN 90 1HD2 ASN 90 -16.317 -21.697 -20.971 664 2HD2 ASN 90 2HD2 ASN 90 -17.023 -23.228 -20.593 665 H THR 91 H THR 91 -15.361 -19.835 -24.697 666 HA THR 91 HA THR 91 -16.640 -17.581 -25.775 667 HB THR 91 HB THR 91 -13.935 -17.377 -26.476 668 HG1 THR 91 1HG THR 91 -13.479 -19.271 -25.355 669 1HG2 THR 91 1HG2 THR 91 -14.897 -16.611 -23.760 670 2HG2 THR 91 2HG2 THR 91 -15.512 -15.785 -25.193 671 3HG2 THR 91 3HG2 THR 91 -13.784 -15.769 -24.839 672 H PHE 92 H PHE 92 -15.721 -20.455 -27.365 673 HA PHE 92 HA PHE 92 -15.400 -19.149 -29.951 674 1HB PHE 92 2HB PHE 92 -15.062 -21.998 -29.016 675 2HB PHE 92 1HB PHE 92 -15.014 -21.555 -30.715 676 HD1 PHE 92 2HD PHE 92 -13.569 -20.012 -27.635 677 HD2 PHE 92 1HD PHE 92 -12.857 -21.659 -31.494 678 HE1 PHE 92 2HE PHE 92 -11.182 -19.469 -27.421 679 HE2 PHE 92 1HE PHE 92 -10.467 -21.118 -31.285 680 HZ PHE 92 HZ PHE 92 -9.626 -20.022 -29.248 681 H THR 93 H THR 93 -17.080 -18.865 -31.278 682 HA THR 93 HA THR 93 -19.437 -20.585 -30.899 683 HB THR 93 HB THR 93 -20.711 -18.588 -31.882 684 HG1 THR 93 1HG THR 93 -19.701 -16.735 -32.060 685 1HG2 THR 93 1HG2 THR 93 -20.051 -19.196 -29.249 686 2HG2 THR 93 2HG2 THR 93 -21.358 -18.155 -29.814 687 3HG2 THR 93 3HG2 THR 93 -19.790 -17.458 -29.408 688 H VAL 94 H VAL 94 -19.201 -18.276 -33.510 689 HA VAL 94 HA VAL 94 -18.573 -20.419 -35.404 690 HB VAL 94 HB VAL 94 -20.387 -19.446 -36.927 691 1HG1 VAL 94 1HG1 VAL 94 -21.648 -20.782 -34.587 692 2HG1 VAL 94 2HG1 VAL 94 -20.359 -21.625 -35.447 693 3HG1 VAL 94 3HG1 VAL 94 -21.814 -21.124 -36.310 694 1HG2 VAL 94 1HG2 VAL 94 -21.149 -18.232 -34.291 695 2HG2 VAL 94 2HG2 VAL 94 -22.361 -18.592 -35.520 696 3HG2 VAL 94 3HG2 VAL 94 -21.050 -17.470 -35.877 697 H GLU 95 H GLU 95 -18.865 -16.987 -34.744 698 HA GLU 95 HA GLU 95 -17.590 -16.229 -37.216 699 1HB GLU 95 2HB GLU 95 -17.743 -13.942 -36.340 700 2HB GLU 95 1HB GLU 95 -19.289 -14.773 -36.246 701 1HG GLU 95 2HG GLU 95 -18.174 -15.315 -33.804 702 2HG GLU 95 1HG GLU 95 -17.621 -13.672 -34.130 703 H GLN 96 H GLN 96 -16.591 -17.098 -34.042 704 HA GLN 96 HA GLN 96 -14.103 -15.659 -34.153 705 1HB GLN 96 2HB GLN 96 -15.658 -16.971 -32.149 706 2HB GLN 96 1HB GLN 96 -14.036 -17.648 -32.124 707 1HG GLN 96 2HG GLN 96 -13.517 -14.979 -32.291 708 2HG GLN 96 1HG GLN 96 -14.986 -15.007 -31.317 709 1HE2 GLN 96 1HE2 GLN 96 -12.195 -17.185 -31.525 710 2HE2 GLN 96 2HE2 GLN 96 -11.790 -17.107 -29.848 711 H LEU 97 H LEU 97 -15.110 -19.012 -34.633 712 HA LEU 97 HA LEU 97 -12.388 -19.888 -34.858 713 1HB LEU 97 2HB LEU 97 -13.776 -21.899 -36.057 714 2HB LEU 97 1HB LEU 97 -13.398 -21.799 -34.362 715 HG LEU 97 HG LEU 97 -15.691 -22.469 -34.701 716 1HD1 LEU 97 1HD1 LEU 97 -14.874 -20.281 -33.105 717 2HD1 LEU 97 2HD1 LEU 97 -16.165 -21.444 -32.812 718 3HD1 LEU 97 3HD1 LEU 97 -16.504 -19.958 -33.693 719 1HD2 LEU 97 1HD2 LEU 97 -17.226 -21.382 -35.964 720 2HD2 LEU 97 2HD2 LEU 97 -15.763 -21.066 -36.892 721 3HD2 LEU 97 3HD2 LEU 97 -16.408 -19.832 -35.814 722 H LYS 98 H LYS 98 -15.036 -19.343 -37.132 723 HA LYS 98 HA LYS 98 -13.680 -19.918 -39.493 724 1HB LYS 98 2HB LYS 98 -16.173 -18.812 -38.734 725 2HB LYS 98 1HB LYS 98 -15.451 -17.686 -39.873 726 1HG LYS 98 2HG LYS 98 -15.546 -19.165 -41.610 727 2HG LYS 98 1HG LYS 98 -15.465 -20.578 -40.558 728 1HD LYS 98 2HD LYS 98 -17.843 -18.730 -40.699 729 2HD LYS 98 1HD LYS 98 -17.689 -20.197 -41.665 730 1HE LYS 98 2HE LYS 98 -17.599 -21.552 -39.670 731 2HE LYS 98 1HE LYS 98 -17.594 -20.116 -38.647 732 1HZ LYS 98 1HZ LYS 98 -19.800 -21.414 -40.010 733 2HZ LYS 98 2HZ LYS 98 -19.814 -19.724 -40.065 734 3HZ LYS 98 3HZ LYS 98 -19.787 -20.521 -38.573 735 H ALA 99 H ALA 99 -13.640 -17.021 -37.473 736 HA ALA 99 HA ALA 99 -12.115 -15.544 -39.436 737 1HB ALA 99 1HB ALA 99 -12.323 -13.673 -38.052 738 2HB ALA 99 2HB ALA 99 -12.586 -14.664 -36.616 739 3HB ALA 99 3HB ALA 99 -13.843 -14.543 -37.848 740 H GLN 100 H GLN 100 -11.500 -17.476 -36.692 741 HA GLN 100 HA GLN 100 -8.782 -16.519 -36.382 742 1HB GLN 100 2HB GLN 100 -10.495 -18.495 -34.929 743 2HB GLN 100 1HB GLN 100 -8.749 -18.569 -34.741 744 1HG GLN 100 2HG GLN 100 -9.220 -15.922 -34.351 745 2HG GLN 100 1HG GLN 100 -10.677 -16.648 -33.675 746 1HE2 GLN 100 1HE2 GLN 100 -10.192 -18.611 -32.252 747 2HE2 GLN 100 2HE2 GLN 100 -8.902 -18.418 -31.119 748 H LEU 101 H LEU 101 -10.434 -19.437 -37.508 749 HA LEU 101 HA LEU 101 -8.235 -21.056 -37.970 750 1HB LEU 101 2HB LEU 101 -10.953 -20.839 -39.168 751 2HB LEU 101 1HB LEU 101 -9.775 -21.817 -40.018 752 HG LEU 101 HG LEU 101 -11.003 -22.270 -37.319 753 1HD1 LEU 101 1HD1 LEU 101 -12.117 -23.239 -39.228 754 2HD1 LEU 101 2HD1 LEU 101 -11.377 -24.509 -38.253 755 3HD1 LEU 101 3HD1 LEU 101 -10.613 -23.992 -39.756 756 1HD2 LEU 101 1HD2 LEU 101 -8.282 -23.008 -38.177 757 2HD2 LEU 101 2HD2 LEU 101 -9.246 -24.305 -37.475 758 3HD2 LEU 101 3HD2 LEU 101 -8.954 -22.829 -36.557 759 H THR 102 H THR 102 -9.770 -18.709 -40.134 760 HA THR 102 HA THR 102 -7.990 -19.098 -42.294 761 HB THR 102 HB THR 102 -8.846 -16.512 -42.596 762 HG1 THR 102 1HG THR 102 -11.008 -17.823 -41.352 763 1HG2 THR 102 1HG2 THR 102 -10.843 -17.538 -43.779 764 2HG2 THR 102 2HG2 THR 102 -10.167 -19.098 -43.304 765 3HG2 THR 102 3HG2 THR 102 -9.235 -18.006 -44.331 766 H GLU 103 H GLU 103 -8.019 -16.914 -39.534 767 HA GLU 103 HA GLU 103 -5.689 -15.506 -40.396 768 1HB GLU 103 2HB GLU 103 -7.592 -15.305 -38.229 769 2HB GLU 103 1HB GLU 103 -5.950 -15.108 -37.637 770 1HG GLU 103 2HG GLU 103 -6.088 -12.989 -38.256 771 2HG GLU 103 1HG GLU 103 -6.037 -13.552 -39.926 772 H ARG 104 H ARG 104 -6.122 -18.542 -39.190 773 HA ARG 104 HA ARG 104 -3.496 -18.604 -37.875 774 1HB ARG 104 2HB ARG 104 -5.995 -20.164 -37.551 775 2HB ARG 104 1HB ARG 104 -4.490 -21.053 -37.366 776 1HG ARG 104 2HG ARG 104 -3.944 -18.931 -35.823 777 2HG ARG 104 1HG ARG 104 -5.699 -18.987 -35.647 778 1HD ARG 104 2HD ARG 104 -5.664 -21.083 -34.668 779 2HD ARG 104 1HD ARG 104 -4.090 -21.488 -35.351 780 HE ARG 104 HE ARG 104 -3.536 -19.433 -33.677 781 1HH1 ARG 104 1HH1 ARG 104 -5.213 -22.467 -33.275 782 2HH1 ARG 104 2HH1 ARG 104 -4.781 -22.628 -31.606 783 1HH2 ARG 104 1HH2 ARG 104 -2.964 -19.645 -31.481 784 2HH2 ARG 104 2HH2 ARG 104 -3.504 -21.027 -30.588 785 H GLY 105 H GLY 105 -5.115 -19.456 -40.745 786 1HA GLY 105 2HA GLY 105 -4.275 -20.401 -42.672 787 2HA GLY 105 1HA GLY 105 -2.736 -20.599 -41.851 788 H ILE 106 H ILE 106 -6.034 -21.962 -41.855 789 HA ILE 106 HA ILE 106 -4.807 -24.609 -41.475 790 HB ILE 106 HB ILE 106 -6.184 -23.671 -39.549 791 1HG1 ILE 106 2HG1 ILE 106 -7.628 -26.069 -39.847 792 2HG1 ILE 106 1HG1 ILE 106 -6.107 -26.309 -40.703 793 1HG2 ILE 106 1HG2 ILE 106 -8.154 -22.802 -40.077 794 2HG2 ILE 106 2HG2 ILE 106 -8.733 -24.461 -40.202 795 3HG2 ILE 106 3HG2 ILE 106 -8.195 -23.602 -41.644 796 1HD1 ILE 106 1HD1 ILE 106 -6.535 -26.611 -38.002 797 2HD1 ILE 106 2HD1 ILE 106 -5.728 -25.047 -38.122 798 3HD1 ILE 106 3HD1 ILE 106 -4.970 -26.486 -38.806 799 H THR 107 H THR 107 -7.605 -25.759 -41.896 800 HA THR 107 HA THR 107 -8.142 -25.119 -44.667 801 HB THR 107 HB THR 107 -6.394 -26.749 -44.949 802 HG1 THR 107 1HG THR 107 -8.889 -28.051 -45.287 803 1HG2 THR 107 1HG2 THR 107 -5.986 -28.397 -43.541 804 2HG2 THR 107 2HG2 THR 107 -7.568 -29.105 -43.871 805 3HG2 THR 107 3HG2 THR 107 -7.387 -27.909 -42.587 806 H PHE 108 H PHE 108 -10.257 -24.700 -44.435 807 HA PHE 108 HA PHE 108 -11.975 -26.876 -43.513 808 1HB PHE 108 2HB PHE 108 -13.323 -25.384 -42.126 809 2HB PHE 108 1HB PHE 108 -11.658 -25.417 -41.556 810 HD1 PHE 108 1HD PHE 108 -10.139 -23.534 -42.745 811 HD2 PHE 108 2HD PHE 108 -14.351 -23.344 -42.165 812 HE1 PHE 108 1HE PHE 108 -10.044 -21.078 -42.883 813 HE2 PHE 108 2HE PHE 108 -14.263 -20.889 -42.302 814 HZ PHE 108 HZ PHE 108 -12.108 -19.753 -42.662 815 H LYS 109 H LYS 109 -11.975 -26.772 -45.991 816 HA LYS 109 HA LYS 109 -14.003 -24.845 -46.910 817 1HB LYS 109 2HB LYS 109 -11.578 -25.956 -48.149 818 2HB LYS 109 1HB LYS 109 -12.985 -25.935 -49.202 819 1HG LYS 109 2HG LYS 109 -12.018 -23.520 -47.695 820 2HG LYS 109 1HG LYS 109 -11.502 -23.920 -49.335 821 1HD LYS 109 2HD LYS 109 -14.407 -23.960 -48.932 822 2HD LYS 109 1HD LYS 109 -13.661 -22.377 -48.706 823 1HE LYS 109 2HE LYS 109 -13.046 -24.068 -51.105 824 2HE LYS 109 1HE LYS 109 -14.463 -23.020 -51.061 825 1HZ LYS 109 1HZ LYS 109 -13.007 -21.540 -51.895 826 2HZ LYS 109 2HZ LYS 109 -11.649 -22.326 -51.264 827 3HZ LYS 109 3HZ LYS 109 -12.581 -21.323 -50.271 828 H GLN 110 H GLN 110 -13.136 -28.223 -46.690 829 HA GLN 110 HA GLN 110 -15.886 -28.937 -47.343 830 1HB GLN 110 2HB GLN 110 -13.491 -29.706 -48.929 831 2HB GLN 110 1HB GLN 110 -14.714 -30.941 -48.665 832 1HG GLN 110 2HG GLN 110 -15.829 -28.388 -49.508 833 2HG GLN 110 1HG GLN 110 -14.707 -29.082 -50.677 834 1HE2 GLN 110 1HE2 GLN 110 -16.775 -29.115 -51.918 835 2HE2 GLN 110 2HE2 GLN 110 -17.759 -30.530 -51.785 836 H SER 111 H SER 111 -15.354 -29.031 -44.869 837 HA SER 111 HA SER 111 -15.538 -31.689 -44.064 838 1HB SER 111 2HB SER 111 -12.781 -30.649 -44.233 839 2HB SER 111 1HB SER 111 -13.192 -31.420 -42.700 840 HG SER 111 HG SER 111 -12.392 -32.713 -44.668 841 H ALA 112 H ALA 112 -14.495 -28.442 -43.170 842 HA ALA 112 HA ALA 112 -15.792 -28.813 -40.551 843 1HB ALA 112 1HB ALA 112 -13.236 -27.853 -41.158 844 2HB ALA 112 2HB ALA 112 -14.052 -27.816 -39.595 845 3HB ALA 112 3HB ALA 112 -14.176 -26.436 -40.685 846 H THR 113 H THR 113 -17.812 -28.067 -40.647 847 HA THR 113 HA THR 113 -18.448 -25.784 -42.332 848 HB THR 113 HB THR 113 -20.769 -26.525 -40.984 849 HG1 THR 113 1HG THR 113 -20.405 -28.472 -40.320 850 1HG2 THR 113 1HG2 THR 113 -20.189 -26.127 -43.502 851 2HG2 THR 113 2HG2 THR 113 -21.574 -27.113 -43.031 852 3HG2 THR 113 3HG2 THR 113 -20.067 -27.886 -43.525 853 H LYS 114 H LYS 114 -19.621 -26.604 -39.063 854 HA LYS 114 HA LYS 114 -18.702 -24.016 -38.116 855 1HB LYS 114 2HB LYS 114 -20.941 -23.482 -37.161 856 2HB LYS 114 1HB LYS 114 -20.893 -23.454 -38.918 857 1HG LYS 114 2HG LYS 114 -21.827 -25.776 -38.892 858 2HG LYS 114 1HG LYS 114 -22.050 -25.595 -37.152 859 1HD LYS 114 2HD LYS 114 -24.112 -24.925 -37.880 860 2HD LYS 114 1HD LYS 114 -23.272 -23.373 -37.893 861 1HE LYS 114 2HE LYS 114 -23.469 -25.174 -40.299 862 2HE LYS 114 1HE LYS 114 -24.632 -23.897 -39.949 863 1HZ LYS 114 1HZ LYS 114 -21.791 -23.656 -40.692 864 2HZ LYS 114 2HZ LYS 114 -22.553 -22.411 -39.838 865 3HZ LYS 114 3HZ LYS 114 -23.138 -22.875 -41.356 866 H ALA 115 H ALA 115 -20.369 -27.020 -37.292 867 HA ALA 115 HA ALA 115 -19.751 -26.731 -34.498 868 1HB ALA 115 1HB ALA 115 -20.480 -29.402 -35.507 869 2HB ALA 115 2HB ALA 115 -21.655 -28.122 -35.813 870 3HB ALA 115 3HB ALA 115 -21.145 -28.474 -34.161 871 H GLU 116 H GLU 116 -18.239 -28.077 -37.288 872 HA GLU 116 HA GLU 116 -16.415 -29.730 -35.759 873 1HB GLU 116 2HB GLU 116 -16.143 -29.094 -38.682 874 2HB GLU 116 1HB GLU 116 -15.587 -30.518 -37.815 875 1HG GLU 116 2HG GLU 116 -18.504 -29.890 -38.072 876 2HG GLU 116 1HG GLU 116 -17.626 -30.744 -39.338 877 H LEU 117 H LEU 117 -16.366 -26.637 -37.457 878 HA LEU 117 HA LEU 117 -13.529 -26.349 -37.056 879 1HB LEU 117 2HB LEU 117 -13.598 -24.628 -38.494 880 2HB LEU 117 1HB LEU 117 -15.111 -25.354 -38.940 881 HG LEU 117 HG LEU 117 -14.653 -22.843 -37.376 882 1HD1 LEU 117 1HD1 LEU 117 -16.514 -23.267 -39.663 883 2HD1 LEU 117 2HD1 LEU 117 -14.783 -23.116 -39.956 884 3HD1 LEU 117 3HD1 LEU 117 -15.658 -21.817 -39.158 885 1HD2 LEU 117 1HD2 LEU 117 -17.295 -22.940 -37.448 886 2HD2 LEU 117 2HD2 LEU 117 -16.375 -23.570 -36.085 887 3HD2 LEU 117 3HD2 LEU 117 -16.985 -24.672 -37.320 888 H ILE 118 H ILE 118 -16.329 -25.697 -35.218 889 HA ILE 118 HA ILE 118 -15.010 -23.703 -33.575 890 HB ILE 118 HB ILE 118 -17.429 -23.532 -33.884 891 1HG1 ILE 118 2HG1 ILE 118 -16.085 -23.002 -31.653 892 2HG1 ILE 118 1HG1 ILE 118 -17.821 -22.746 -31.771 893 1HG2 ILE 118 1HG2 ILE 118 -17.917 -25.954 -34.044 894 2HG2 ILE 118 2HG2 ILE 118 -19.000 -25.084 -32.965 895 3HG2 ILE 118 3HG2 ILE 118 -17.707 -26.075 -32.296 896 1HD1 ILE 118 1HD1 ILE 118 -16.562 -25.232 -30.638 897 2HD1 ILE 118 2HD1 ILE 118 -18.263 -24.770 -30.586 898 3HD1 ILE 118 3HD1 ILE 118 -17.069 -23.845 -29.675 899 H ALA 119 H ALA 119 -15.485 -27.133 -33.670 900 HA ALA 119 HA ALA 119 -14.623 -27.534 -30.927 901 1HB ALA 119 1HB ALA 119 -16.040 -29.242 -31.294 902 2HB ALA 119 2HB ALA 119 -14.631 -30.016 -32.022 903 3HB ALA 119 3HB ALA 119 -15.811 -29.193 -33.042 904 H LEU 120 H LEU 120 -13.384 -27.769 -34.190 905 HA LEU 120 HA LEU 120 -11.087 -29.244 -33.844 906 1HB LEU 120 2HB LEU 120 -12.068 -28.220 -35.974 907 2HB LEU 120 1HB LEU 120 -11.170 -26.774 -35.555 908 HG LEU 120 HG LEU 120 -9.075 -28.137 -35.588 909 1HD1 LEU 120 1HD1 LEU 120 -9.489 -30.344 -35.355 910 2HD1 LEU 120 2HD1 LEU 120 -9.560 -30.285 -37.115 911 3HD1 LEU 120 3HD1 LEU 120 -11.050 -30.251 -36.172 912 1HD2 LEU 120 1HD2 LEU 120 -9.324 -26.880 -37.503 913 2HD2 LEU 120 2HD2 LEU 120 -10.797 -27.718 -37.990 914 3HD2 LEU 120 3HD2 LEU 120 -9.231 -28.512 -38.165 915 H PHE 121 H PHE 121 -11.541 -25.767 -33.275 916 HA PHE 121 HA PHE 121 -8.908 -25.083 -32.719 917 1HB PHE 121 2HB PHE 121 -11.562 -23.975 -32.041 918 2HB PHE 121 1HB PHE 121 -10.231 -23.458 -31.009 919 HD1 PHE 121 2HD PHE 121 -8.139 -22.539 -32.193 920 HD2 PHE 121 1HD PHE 121 -11.930 -22.940 -34.069 921 HE1 PHE 121 2HE PHE 121 -7.471 -20.887 -33.884 922 HE2 PHE 121 1HE PHE 121 -11.279 -21.287 -35.759 923 HZ PHE 121 HZ PHE 121 -9.041 -20.262 -35.670 924 H ALA 122 H ALA 122 -11.118 -26.962 -30.843 925 HA ALA 122 HA ALA 122 -10.211 -26.614 -28.257 926 1HB ALA 122 1HB ALA 122 -10.902 -29.331 -29.321 927 2HB ALA 122 2HB ALA 122 -12.126 -28.075 -29.143 928 3HB ALA 122 3HB ALA 122 -11.236 -28.644 -27.731 929 HA PRO 123 HA PRO 123 -6.087 -28.150 -28.039 930 1HB PRO 123 2HB PRO 123 -6.100 -29.425 -25.622 931 2HB PRO 123 1HB PRO 123 -6.044 -27.668 -25.801 932 1HG PRO 123 2HG PRO 123 -8.385 -29.442 -25.226 933 2HG PRO 123 1HG PRO 123 -7.960 -27.878 -24.504 934 1HD PRO 123 2HD PRO 123 -9.845 -28.104 -26.416 935 2HD PRO 123 1HD PRO 123 -8.787 -26.682 -26.301 936 H ALA 124 H ALA 124 -5.749 -29.700 -29.560 937 HA ALA 124 HA ALA 124 -5.783 -32.444 -28.708 938 1HB ALA 124 1HB ALA 124 -8.104 -32.191 -29.441 939 2HB ALA 124 2HB ALA 124 -7.212 -33.291 -30.492 940 3HB ALA 124 3HB ALA 124 -7.547 -31.642 -31.021 941 H ASP 125 H ASP 125 -3.570 -32.344 -29.106 942 HA ASP 125 HA ASP 125 -2.731 -31.854 -31.874 943 1HB ASP 125 2HB ASP 125 -1.474 -31.507 -29.243 944 2HB ASP 125 1HB ASP 125 -0.416 -32.238 -30.445 945 H GLY 126 H GLY 126 -3.322 -33.796 -32.833 946 1HA GLY 126 2HA GLY 126 -1.952 -36.200 -31.802 947 2HA GLY 126 1HA GLY 126 -3.442 -36.232 -32.733 948 H GLU 127 H GLU 127 -3.317 -35.512 -34.993 949 HA GLU 127 HA GLU 127 -0.655 -36.034 -36.147 950 1HB GLU 127 2HB GLU 127 -1.811 -37.047 -38.080 951 2HB GLU 127 1HB GLU 127 -2.127 -37.914 -36.583 952 1HG GLU 127 2HG GLU 127 -4.313 -37.010 -36.419 953 2HG GLU 127 1HG GLU 127 -4.003 -35.863 -37.721 954 H LYS 128 H LYS 128 -0.684 -35.284 -38.577 955 HA LYS 128 HA LYS 128 -2.265 -33.014 -39.230 956 1HB LYS 128 2HB LYS 128 0.117 -32.564 -37.658 957 2HB LYS 128 1HB LYS 128 0.263 -31.790 -39.229 958 1HG LYS 128 2HG LYS 128 -1.029 -30.129 -38.552 959 2HG LYS 128 1HG LYS 128 -2.339 -31.261 -38.213 960 1HD LYS 128 2HD LYS 128 -1.134 -31.729 -36.012 961 2HD LYS 128 1HD LYS 128 -0.182 -30.286 -36.361 962 1HE LYS 128 2HE LYS 128 -3.151 -30.116 -36.517 963 2HE LYS 128 1HE LYS 128 -2.389 -30.156 -34.928 964 1HZ LYS 128 1HZ LYS 128 -1.527 -28.108 -35.193 965 2HZ LYS 128 2HZ LYS 128 -2.791 -27.921 -36.301 966 3HZ LYS 128 3HZ LYS 128 -1.237 -28.305 -36.849 967 H SER 129 H SER 129 -2.285 -32.787 -41.379 968 HA SER 129 HA SER 129 0.052 -33.442 -42.969 969 1HB SER 129 2HB SER 129 -2.375 -35.149 -42.845 970 2HB SER 129 1HB SER 129 -1.704 -34.842 -44.447 971 HG SER 129 HG SER 129 -0.179 -35.778 -42.247 972 H GLU 130 H GLU 130 -0.772 -33.317 -45.446 973 HA GLU 130 HA GLU 130 -1.597 -30.606 -45.772 974 1HB GLU 130 2HB GLU 130 -0.732 -32.818 -47.545 975 2HB GLU 130 1HB GLU 130 -1.726 -31.570 -48.283 976 1HG GLU 130 2HG GLU 130 0.045 -30.029 -46.988 977 2HG GLU 130 1HG GLU 130 1.043 -31.451 -47.284 978 H ALA 131 H ALA 131 -3.006 -33.464 -47.358 979 HA ALA 131 HA ALA 131 -5.680 -32.471 -46.661 980 1HB ALA 131 1HB ALA 131 -5.290 -33.587 -49.387 981 2HB ALA 131 2HB ALA 131 -4.767 -31.931 -49.081 982 3HB ALA 131 3HB ALA 131 -6.448 -32.390 -48.809 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 20.699 -5.308 24.260 2 2H GLY 1 2HT GLY 1 19.246 -4.671 23.678 3 3H GLY 1 3HT GLY 1 19.752 -4.318 25.252 4 1HA GLY 1 1HA GLY 1 21.862 -3.457 23.852 5 2HA GLY 1 2HA GLY 1 20.547 -3.127 22.735 6 H SER 2 H SER 2 22.236 -1.224 24.119 7 HA SER 2 HA SER 2 20.124 0.258 25.525 8 1HB SER 2 2HB SER 2 22.194 -0.837 26.894 9 2HB SER 2 1HB SER 2 22.884 0.730 26.476 10 HG SER 2 HG SER 2 20.711 0.114 28.114 11 H HIS 3 H HIS 3 23.377 0.536 24.100 12 HA HIS 3 HA HIS 3 22.740 3.273 23.270 13 1HB HIS 3 2HB HIS 3 24.989 2.333 24.427 14 2HB HIS 3 1HB HIS 3 25.428 2.147 22.732 15 HD1 HIS 3 1HD HIS 3 27.249 4.027 23.338 16 HD2 HIS 3 2HD HIS 3 23.279 5.252 23.331 17 HE1 HIS 3 1HE HIS 3 27.321 6.539 23.232 18 HE2 HIS 3 2HE HIS 3 24.908 7.260 23.313 19 H MET 4 H MET 4 21.555 0.961 21.965 20 HA MET 4 HA MET 4 22.782 1.180 19.296 21 1HB MET 4 2HB MET 4 21.539 -1.067 20.759 22 2HB MET 4 1HB MET 4 21.113 -0.944 19.057 23 1HG MET 4 2HG MET 4 22.950 -2.235 18.848 24 2HG MET 4 1HG MET 4 23.742 -0.660 18.822 25 1HE MET 4 1HE MET 4 26.352 -1.222 20.202 26 2HE MET 4 2HE MET 4 25.608 -2.341 19.060 27 3HE MET 4 3HE MET 4 26.229 -2.936 20.600 28 H ASP 5 H ASP 5 21.562 1.824 17.583 29 HA ASP 5 HA ASP 5 19.019 3.071 18.202 30 1HB ASP 5 2HB ASP 5 20.743 3.061 15.722 31 2HB ASP 5 1HB ASP 5 19.187 3.882 15.815 32 H LYS 6 H LYS 6 17.231 2.858 16.542 33 HA LYS 6 HA LYS 6 16.981 0.047 15.692 34 1HB LYS 6 2HB LYS 6 15.153 1.785 17.245 35 2HB LYS 6 1HB LYS 6 14.401 0.773 16.018 36 1HG LYS 6 2HG LYS 6 15.579 -1.186 17.051 37 2HG LYS 6 1HG LYS 6 16.053 -0.112 18.369 38 1HD LYS 6 2HD LYS 6 13.747 0.306 18.925 39 2HD LYS 6 1HD LYS 6 13.202 -0.606 17.515 40 1HE LYS 6 2HE LYS 6 13.030 -2.323 18.948 41 2HE LYS 6 1HE LYS 6 14.781 -2.433 18.778 42 1HZ LYS 6 1HZ LYS 6 14.639 -2.301 21.020 43 2HZ LYS 6 2HZ LYS 6 13.190 -1.429 21.009 44 3HZ LYS 6 3HZ LYS 6 14.653 -0.641 20.697 45 H THR 7 H THR 7 17.711 0.591 13.591 46 HA THR 7 HA THR 7 15.657 1.929 11.963 47 HB THR 7 HB THR 7 17.440 3.525 12.248 48 HG1 THR 7 1HG THR 7 18.081 3.731 10.055 49 1HG2 THR 7 1HG2 THR 7 19.611 2.399 10.888 50 2HG2 THR 7 2HG2 THR 7 19.128 1.231 12.120 51 3HG2 THR 7 3HG2 THR 7 19.526 2.889 12.581 52 H PHE 8 H PHE 8 15.051 0.773 10.245 53 HA PHE 8 HA PHE 8 16.889 -1.142 9.037 54 1HB PHE 8 2HB PHE 8 14.685 -2.705 9.065 55 2HB PHE 8 1HB PHE 8 15.982 -2.816 10.253 56 HD1 PHE 8 1HD PHE 8 15.730 -1.615 12.436 57 HD2 PHE 8 2HD PHE 8 12.519 -2.082 9.668 58 HE1 PHE 8 1HE PHE 8 14.115 -1.151 14.238 59 HE2 PHE 8 2HE PHE 8 10.902 -1.620 11.474 60 HZ PHE 8 HZ PHE 8 11.700 -1.153 13.756 61 H CYS 9 H CYS 9 16.309 -1.839 6.950 62 HA CYS 9 HA CYS 9 14.514 0.010 5.569 63 1HB CYS 9 2HB CYS 9 16.120 -2.100 4.161 64 2HB CYS 9 1HB CYS 9 15.664 -0.497 3.603 65 HG CYS 9 HG CYS 9 17.684 -0.396 5.869 66 H VAL 10 H VAL 10 12.489 -0.615 5.012 67 HA VAL 10 HA VAL 10 11.859 -3.489 5.168 68 HB VAL 10 HB VAL 10 10.635 -1.344 6.442 69 1HG1 VAL 10 1HG1 VAL 10 9.489 -0.866 4.245 70 2HG1 VAL 10 2HG1 VAL 10 8.421 -1.136 5.620 71 3HG1 VAL 10 3HG1 VAL 10 8.669 -2.415 4.432 72 1HG2 VAL 10 1HG2 VAL 10 9.049 -3.799 6.145 73 2HG2 VAL 10 2HG2 VAL 10 9.613 -2.978 7.600 74 3HG2 VAL 10 3HG2 VAL 10 10.711 -4.008 6.687 75 H VAL 11 H VAL 11 10.461 -4.427 3.647 76 HA VAL 11 HA VAL 11 9.948 -2.860 1.233 77 HB VAL 11 HB VAL 11 12.019 -3.977 0.804 78 1HG1 VAL 11 1HG1 VAL 11 12.059 -5.719 2.369 79 2HG1 VAL 11 2HG1 VAL 11 12.073 -6.501 0.788 80 3HG1 VAL 11 3HG1 VAL 11 10.583 -6.440 1.728 81 1HG2 VAL 11 1HG2 VAL 11 9.832 -4.116 -0.816 82 2HG2 VAL 11 2HG2 VAL 11 10.327 -5.807 -0.743 83 3HG2 VAL 11 3HG2 VAL 11 11.466 -4.578 -1.293 84 H VAL 12 H VAL 12 8.024 -3.217 0.337 85 HA VAL 12 HA VAL 12 6.327 -5.297 1.524 86 HB VAL 12 HB VAL 12 4.444 -4.005 0.556 87 1HG1 VAL 12 1HG1 VAL 12 5.712 -3.579 2.852 88 2HG1 VAL 12 2HG1 VAL 12 4.344 -2.591 2.338 89 3HG1 VAL 12 3HG1 VAL 12 5.992 -2.005 2.106 90 1HG2 VAL 12 1HG2 VAL 12 5.766 -1.526 0.098 91 2HG2 VAL 12 2HG2 VAL 12 4.789 -2.479 -1.020 92 3HG2 VAL 12 3HG2 VAL 12 6.527 -2.757 -0.909 93 H GLN 13 H GLN 13 6.477 -7.131 0.385 94 HA GLN 13 HA GLN 13 6.397 -6.988 -2.547 95 1HB GLN 13 2HB GLN 13 7.715 -8.730 -0.661 96 2HB GLN 13 1HB GLN 13 6.698 -9.670 -1.744 97 1HG GLN 13 2HG GLN 13 7.819 -8.387 -3.638 98 2HG GLN 13 1HG GLN 13 8.995 -7.873 -2.431 99 1HE2 GLN 13 1HE2 GLN 13 9.324 -10.088 -0.920 100 2HE2 GLN 13 2HE2 GLN 13 9.991 -11.370 -1.867 101 H ASN 14 H ASN 14 4.351 -6.916 -3.254 102 HA ASN 14 HA ASN 14 2.455 -8.875 -2.138 103 1HB ASN 14 2HB ASN 14 0.683 -7.118 -2.845 104 2HB ASN 14 1HB ASN 14 1.575 -6.864 -1.352 105 1HD2 ASN 14 1HD2 ASN 14 0.757 -5.618 -4.383 106 2HD2 ASN 14 2HD2 ASN 14 1.761 -4.212 -4.354 107 H ARG 15 H ARG 15 1.056 -9.873 -3.525 108 HA ARG 15 HA ARG 15 1.422 -9.366 -6.395 109 1HB ARG 15 2HB ARG 15 1.162 -11.836 -6.753 110 2HB ARG 15 1HB ARG 15 2.655 -11.379 -5.944 111 1HG ARG 15 2HG ARG 15 0.867 -11.821 -3.872 112 2HG ARG 15 1HG ARG 15 0.508 -13.093 -5.041 113 1HD ARG 15 2HD ARG 15 3.360 -12.731 -4.712 114 2HD ARG 15 1HD ARG 15 2.571 -13.063 -3.171 115 HE ARG 15 HE ARG 15 2.967 -14.891 -5.328 116 1HH1 ARG 15 1HH1 ARG 15 0.853 -14.098 -2.667 117 2HH1 ARG 15 2HH1 ARG 15 0.263 -15.716 -2.491 118 1HH2 ARG 15 1HH2 ARG 15 2.192 -17.019 -5.098 119 2HH2 ARG 15 2HH2 ARG 15 1.023 -17.375 -3.870 120 H ILE 16 H ILE 16 -0.466 -8.040 -5.981 121 HA ILE 16 HA ILE 16 -2.910 -9.625 -6.240 122 HB ILE 16 HB ILE 16 -3.703 -7.374 -4.825 123 1HG1 ILE 16 2HG1 ILE 16 -1.468 -8.676 -3.279 124 2HG1 ILE 16 1HG1 ILE 16 -1.240 -7.186 -4.189 125 1HG2 ILE 16 1HG2 ILE 16 -4.306 -8.980 -3.071 126 2HG2 ILE 16 2HG2 ILE 16 -3.314 -10.199 -3.874 127 3HG2 ILE 16 3HG2 ILE 16 -4.739 -9.545 -4.686 128 1HD1 ILE 16 1HD1 ILE 16 -3.524 -7.176 -2.351 129 2HD1 ILE 16 2HD1 ILE 16 -2.298 -5.945 -2.655 130 3HD1 ILE 16 3HD1 ILE 16 -1.940 -7.302 -1.587 131 H LYS 17 H LYS 17 -3.777 -9.070 -8.087 132 HA LYS 17 HA LYS 17 -4.238 -7.880 -10.005 133 1HB LYS 17 2HB LYS 17 -5.829 -6.151 -9.579 134 2HB LYS 17 1HB LYS 17 -6.013 -7.354 -8.310 135 1HG LYS 17 2HG LYS 17 -4.816 -5.971 -6.751 136 2HG LYS 17 1HG LYS 17 -4.459 -4.795 -8.015 137 1HD LYS 17 2HD LYS 17 -6.334 -3.734 -7.448 138 2HD LYS 17 1HD LYS 17 -7.233 -5.114 -8.079 139 1HE LYS 17 2HE LYS 17 -7.285 -6.148 -5.920 140 2HE LYS 17 1HE LYS 17 -6.190 -4.936 -5.258 141 1HZ LYS 17 1HZ LYS 17 -8.342 -4.341 -4.565 142 2HZ LYS 17 2HZ LYS 17 -9.004 -4.570 -6.105 143 3HZ LYS 17 3HZ LYS 17 -7.965 -3.267 -5.817 144 H GLU 18 H GLU 18 -4.427 -5.129 -10.475 145 HA GLU 18 HA GLU 18 -1.729 -4.085 -10.023 146 1HB GLU 18 2HB GLU 18 -1.577 -3.396 -12.402 147 2HB GLU 18 1HB GLU 18 -1.572 -5.141 -12.184 148 1HG GLU 18 2HG GLU 18 -3.955 -5.204 -12.776 149 2HG GLU 18 1HG GLU 18 -3.919 -3.462 -13.042 150 H GLY 19 H GLY 19 -4.802 -3.562 -9.460 151 1HA GLY 19 2HA GLY 19 -4.910 -0.771 -10.344 152 2HA GLY 19 1HA GLY 19 -6.245 -1.694 -9.668 153 H TYR 20 H TYR 20 -4.543 -2.715 -7.473 154 HA TYR 20 HA TYR 20 -5.129 -0.797 -5.533 155 1HB TYR 20 2HB TYR 20 -3.957 -3.431 -5.622 156 2HB TYR 20 1HB TYR 20 -3.015 -2.405 -4.547 157 HD1 TYR 20 1HD TYR 20 -6.621 -1.849 -4.953 158 HD2 TYR 20 2HD TYR 20 -3.614 -3.748 -2.613 159 HE1 TYR 20 1HE TYR 20 -8.261 -2.227 -3.162 160 HE2 TYR 20 2HE TYR 20 -5.247 -4.128 -0.816 161 HH TYR 20 HH TYR 20 -8.618 -3.641 -1.260 162 H ARG 21 H ARG 21 -4.365 1.151 -5.842 163 HA ARG 21 HA ARG 21 -1.530 1.574 -5.436 164 1HB ARG 21 2HB ARG 21 -1.245 2.855 -7.476 165 2HB ARG 21 1HB ARG 21 -1.793 1.220 -7.845 166 1HG ARG 21 2HG ARG 21 -4.160 2.376 -7.727 167 2HG ARG 21 1HG ARG 21 -3.207 3.799 -8.159 168 1HD ARG 21 2HD ARG 21 -2.265 2.525 -10.070 169 2HD ARG 21 1HD ARG 21 -3.338 1.188 -9.664 170 HE ARG 21 HE ARG 21 -4.694 3.693 -10.075 171 1HH1 ARG 21 1HH1 ARG 21 -3.450 0.818 -11.614 172 2HH1 ARG 21 2HH1 ARG 21 -4.517 0.932 -12.972 173 1HH2 ARG 21 1HH2 ARG 21 -6.098 3.845 -11.863 174 2HH2 ARG 21 2HH2 ARG 21 -6.020 2.650 -13.115 175 H ARG 22 H ARG 22 -1.011 3.710 -4.778 176 HA ARG 22 HA ARG 22 -2.578 5.944 -4.890 177 1HB ARG 22 2HB ARG 22 -3.665 4.035 -3.033 178 2HB ARG 22 1HB ARG 22 -3.173 5.487 -2.171 179 1HG ARG 22 2HG ARG 22 -4.579 6.188 -4.576 180 2HG ARG 22 1HG ARG 22 -5.535 5.066 -3.606 181 1HD ARG 22 2HD ARG 22 -5.333 6.509 -1.675 182 2HD ARG 22 1HD ARG 22 -4.269 7.597 -2.564 183 HE ARG 22 HE ARG 22 -7.137 7.468 -2.713 184 1HH1 ARG 22 1HH1 ARG 22 -4.225 8.411 -4.389 185 2HH1 ARG 22 2HH1 ARG 22 -5.027 9.577 -5.387 186 1HH2 ARG 22 1HH2 ARG 22 -8.194 9.000 -4.024 187 2HH2 ARG 22 2HH2 ARG 22 -7.281 9.912 -5.180 188 H ALA 23 H ALA 23 -2.271 7.232 -2.513 189 HA ALA 23 HA ALA 23 0.586 7.624 -2.447 190 1HB ALA 23 1HB ALA 23 -0.835 9.566 -2.463 191 2HB ALA 23 2HB ALA 23 0.029 9.501 -0.926 192 3HB ALA 23 3HB ALA 23 -1.667 9.018 -1.007 193 H GLY 24 H GLY 24 0.739 5.304 -1.567 194 1HA GLY 24 2HA GLY 24 1.823 4.330 0.301 195 2HA GLY 24 1HA GLY 24 1.068 5.533 1.334 196 H PHE 25 H PHE 25 -1.531 4.918 -0.172 197 HA PHE 25 HA PHE 25 -2.489 2.994 1.712 198 1HB PHE 25 2HB PHE 25 -3.765 4.442 -0.604 199 2HB PHE 25 1HB PHE 25 -4.639 3.252 0.356 200 HD1 PHE 25 1HD PHE 25 -5.214 3.705 2.677 201 HD2 PHE 25 2HD PHE 25 -3.206 6.599 0.288 202 HE1 PHE 25 1HE PHE 25 -5.771 5.446 4.324 203 HE2 PHE 25 2HE PHE 25 -3.759 8.344 1.931 204 HZ PHE 25 HZ PHE 25 -5.043 7.768 3.952 205 H SER 26 H SER 26 -1.322 2.869 -1.549 206 HA SER 26 HA SER 26 -1.153 0.066 -1.577 207 1HB SER 26 2HB SER 26 -2.838 -0.439 -3.327 208 2HB SER 26 1HB SER 26 -3.572 0.098 -1.817 209 HG SER 26 HG SER 26 -3.996 2.063 -2.720 210 H PHE 27 H PHE 27 -0.387 -0.788 -3.645 211 HA PHE 27 HA PHE 27 0.320 1.064 -5.733 212 1HB PHE 27 2HB PHE 27 2.739 -0.315 -4.762 213 2HB PHE 27 1HB PHE 27 2.551 1.308 -5.412 214 HD1 PHE 27 2HD PHE 27 1.772 3.152 -3.905 215 HD2 PHE 27 1HD PHE 27 2.823 -0.715 -2.452 216 HE1 PHE 27 2HE PHE 27 2.040 4.068 -1.637 217 HE2 PHE 27 1HE PHE 27 3.077 0.202 -0.185 218 HZ PHE 27 HZ PHE 27 2.688 2.596 0.224 219 H HIS 28 H HIS 28 1.140 -0.001 -7.622 220 HA HIS 28 HA HIS 28 -0.065 -2.289 -8.389 221 1HB HIS 28 2HB HIS 28 2.728 -1.582 -9.291 222 2HB HIS 28 1HB HIS 28 1.501 -2.464 -10.195 223 HD1 HIS 28 1HD HIS 28 -0.850 -0.814 -10.372 224 HD2 HIS 28 2HD HIS 28 2.915 0.937 -10.219 225 HE1 HIS 28 1HE HIS 28 -1.140 1.489 -11.338 226 HE2 HIS 28 2HE HIS 28 1.169 2.497 -11.315 227 H LEU 29 H LEU 29 0.320 -4.448 -8.417 228 HA LEU 29 HA LEU 29 1.506 -5.666 -6.243 229 1HB LEU 29 2HB LEU 29 1.150 -7.738 -7.338 230 2HB LEU 29 1HB LEU 29 -0.161 -6.677 -7.803 231 HG LEU 29 HG LEU 29 2.136 -7.653 -9.477 232 1HD1 LEU 29 1HD1 LEU 29 0.602 -8.863 -10.560 233 2HD1 LEU 29 2HD1 LEU 29 -0.585 -7.558 -10.542 234 3HD1 LEU 29 3HD1 LEU 29 -0.394 -8.596 -9.129 235 1HD2 LEU 29 1HD2 LEU 29 0.263 -5.386 -10.155 236 2HD2 LEU 29 2HD2 LEU 29 1.441 -6.122 -11.241 237 3HD2 LEU 29 3HD2 LEU 29 1.988 -5.232 -9.821 238 H GLY 30 H GLY 30 3.572 -4.910 -5.850 239 1HA GLY 30 2HA GLY 30 5.656 -6.265 -7.344 240 2HA GLY 30 1HA GLY 30 5.707 -4.510 -7.431 241 H ASP 31 H ASP 31 7.645 -4.303 -6.339 242 HA ASP 31 HA ASP 31 7.448 -4.700 -3.449 243 1HB ASP 31 2HB ASP 31 9.883 -5.464 -3.483 244 2HB ASP 31 1HB ASP 31 8.679 -6.626 -4.024 245 H ASN 32 H ASN 32 8.066 -2.976 -2.356 246 HA ASN 32 HA ASN 32 9.885 -1.049 -3.645 247 1HB ASN 32 2HB ASN 32 7.217 -0.608 -2.394 248 2HB ASN 32 1HB ASN 32 8.455 0.611 -2.106 249 1HD2 ASN 32 1HD2 ASN 32 5.931 -0.064 -3.983 250 2HD2 ASN 32 2HD2 ASN 32 6.385 0.750 -5.437 251 H SER 33 H SER 33 11.632 -0.563 -2.444 252 HA SER 33 HA SER 33 11.802 -1.678 0.224 253 1HB SER 33 2HB SER 33 13.895 -0.238 -1.412 254 2HB SER 33 1HB SER 33 14.172 -1.041 0.135 255 HG SER 33 HG SER 33 13.785 -2.994 -0.811 256 H LEU 34 H LEU 34 12.218 -0.599 2.064 257 HA LEU 34 HA LEU 34 11.658 2.289 2.031 258 1HB LEU 34 2HB LEU 34 9.914 1.113 3.184 259 2HB LEU 34 1HB LEU 34 11.062 0.147 4.085 260 HG LEU 34 HG LEU 34 9.782 2.097 5.212 261 1HD1 LEU 34 1HD1 LEU 34 12.650 1.299 5.533 262 2HD1 LEU 34 2HD1 LEU 34 11.241 0.752 6.437 263 3HD1 LEU 34 3HD1 LEU 34 11.854 2.389 6.673 264 1HD2 LEU 34 1HD2 LEU 34 10.414 4.203 4.852 265 2HD2 LEU 34 2HD2 LEU 34 11.141 3.608 3.362 266 3HD2 LEU 34 3HD2 LEU 34 12.124 3.776 4.817 267 H ALA 35 H ALA 35 13.077 3.659 3.052 268 HA ALA 35 HA ALA 35 15.710 2.737 3.535 269 1HB ALA 35 1HB ALA 35 15.540 4.912 2.678 270 2HB ALA 35 2HB ALA 35 16.035 5.121 4.357 271 3HB ALA 35 3HB ALA 35 14.355 5.389 3.894 272 H ALA 36 H ALA 36 16.875 2.958 5.523 273 HA ALA 36 HA ALA 36 15.467 1.794 7.683 274 1HB ALA 36 1HB ALA 36 18.163 2.967 8.099 275 2HB ALA 36 2HB ALA 36 17.986 1.635 6.957 276 3HB ALA 36 3HB ALA 36 17.507 1.423 8.640 277 H VAL 37 H VAL 37 14.091 2.842 8.884 278 HA VAL 37 HA VAL 37 14.855 5.457 9.984 279 HB VAL 37 HB VAL 37 12.889 6.467 9.458 280 1HG1 VAL 37 1HG1 VAL 37 12.240 4.418 7.427 281 2HG1 VAL 37 2HG1 VAL 37 13.858 5.125 7.361 282 3HG1 VAL 37 3HG1 VAL 37 12.438 6.164 7.258 283 1HG2 VAL 37 1HG2 VAL 37 10.732 5.052 9.084 284 2HG2 VAL 37 2HG2 VAL 37 11.309 5.356 10.722 285 3HG2 VAL 37 3HG2 VAL 37 11.628 3.802 9.949 286 H SER 38 H SER 38 13.018 5.955 11.792 287 HA SER 38 HA SER 38 13.636 4.410 13.986 288 1HB SER 38 2HB SER 38 12.410 6.720 13.773 289 2HB SER 38 1HB SER 38 10.950 5.731 13.838 290 HG SER 38 HG SER 38 12.184 6.582 15.879 291 H GLU 39 H GLU 39 10.434 4.372 12.396 292 HA GLU 39 HA GLU 39 10.247 1.582 12.182 293 1HB GLU 39 2HB GLU 39 10.249 1.862 14.709 294 2HB GLU 39 1HB GLU 39 8.670 2.612 14.532 295 1HG GLU 39 2HG GLU 39 8.014 0.470 13.286 296 2HG GLU 39 1HG GLU 39 9.475 -0.219 13.991 297 H SER 40 H SER 40 8.847 4.708 12.093 298 HA SER 40 HA SER 40 6.196 4.420 11.679 299 1HB SER 40 2HB SER 40 7.769 6.047 9.706 300 2HB SER 40 1HB SER 40 6.226 6.421 10.474 301 HG SER 40 HG SER 40 8.661 7.119 11.260 302 H GLN 41 H GLN 41 8.723 3.421 9.446 303 HA GLN 41 HA GLN 41 7.198 2.986 7.150 304 1HB GLN 41 2HB GLN 41 8.923 1.281 6.573 305 2HB GLN 41 1HB GLN 41 9.568 2.855 7.015 306 1HG GLN 41 2HG GLN 41 10.973 1.560 8.207 307 2HG GLN 41 1HG GLN 41 9.685 1.704 9.400 308 1HE2 GLN 41 1HE2 GLN 41 11.285 -0.324 9.748 309 2HE2 GLN 41 2HE2 GLN 41 10.570 -1.822 9.267 310 H LEU 42 H LEU 42 7.976 0.735 9.779 311 HA LEU 42 HA LEU 42 6.643 -1.498 8.800 312 1HB LEU 42 2HB LEU 42 8.173 -1.514 10.730 313 2HB LEU 42 1HB LEU 42 6.970 -0.667 11.683 314 HG LEU 42 HG LEU 42 5.455 -2.716 11.109 315 1HD1 LEU 42 1HD1 LEU 42 6.548 -4.088 9.682 316 2HD1 LEU 42 2HD1 LEU 42 7.209 -4.734 11.185 317 3HD1 LEU 42 3HD1 LEU 42 8.143 -3.578 10.236 318 1HD2 LEU 42 1HD2 LEU 42 6.680 -3.969 13.048 319 2HD2 LEU 42 2HD2 LEU 42 5.891 -2.421 13.347 320 3HD2 LEU 42 3HD2 LEU 42 7.640 -2.491 13.128 321 H ALA 43 H ALA 43 5.414 0.938 11.088 322 HA ALA 43 HA ALA 43 2.783 -0.135 11.126 323 1HB ALA 43 1HB ALA 43 3.565 2.674 11.860 324 2HB ALA 43 2HB ALA 43 3.841 1.285 12.911 325 3HB ALA 43 3HB ALA 43 2.197 1.734 12.456 326 H GLN 44 H GLN 44 4.443 2.131 9.069 327 HA GLN 44 HA GLN 44 2.195 3.451 7.993 328 1HB GLN 44 2HB GLN 44 5.045 3.134 7.265 329 2HB GLN 44 1HB GLN 44 3.959 3.540 5.942 330 1HG GLN 44 2HG GLN 44 3.186 5.499 7.172 331 2HG GLN 44 1HG GLN 44 4.262 5.088 8.507 332 1HE2 GLN 44 1HE2 GLN 44 4.082 7.419 6.621 333 2HE2 GLN 44 2HE2 GLN 44 5.683 7.593 5.995 334 H LEU 45 H LEU 45 4.073 0.681 6.780 335 HA LEU 45 HA LEU 45 2.210 0.184 4.650 336 1HB LEU 45 2HB LEU 45 4.601 -1.311 5.689 337 2HB LEU 45 1HB LEU 45 3.601 -1.927 4.387 338 1HD1 LEU 45 1HD2 LEU 45 4.325 0.326 1.843 339 2HD1 LEU 45 2HD2 LEU 45 3.702 1.438 3.062 340 3HD1 LEU 45 3HD2 LEU 45 2.917 -0.121 2.808 341 1HD2 LEU 45 1HD1 LEU 45 6.193 1.369 3.828 342 2HD2 LEU 45 2HD1 LEU 45 6.272 0.356 5.269 343 3HD2 LEU 45 3HD1 LEU 45 4.957 1.517 5.079 344 H LYS 46 H LYS 46 2.778 -1.029 7.868 345 HA LYS 46 HA LYS 46 1.079 -3.318 7.615 346 1HB LYS 46 2HB LYS 46 2.965 -3.073 9.271 347 2HB LYS 46 1HB LYS 46 1.944 -1.957 10.166 348 1HG LYS 46 2HG LYS 46 0.566 -3.602 10.923 349 2HG LYS 46 1HG LYS 46 0.830 -4.626 9.510 350 1HD LYS 46 2HD LYS 46 3.303 -4.656 10.543 351 2HD LYS 46 1HD LYS 46 2.375 -4.416 12.025 352 1HE LYS 46 2HE LYS 46 0.921 -6.369 11.126 353 2HE LYS 46 1HE LYS 46 2.316 -6.709 10.102 354 1HZ LYS 46 1HZ LYS 46 2.448 -6.479 13.059 355 2HZ LYS 46 2HZ LYS 46 3.679 -6.996 12.021 356 3HZ LYS 46 3HZ LYS 46 2.296 -7.947 12.231 357 H ALA 47 H ALA 47 0.635 0.020 8.518 358 HA ALA 47 HA ALA 47 -1.759 -0.121 9.926 359 1HB ALA 47 1HB ALA 47 -0.578 1.992 8.155 360 2HB ALA 47 2HB ALA 47 -0.706 1.962 9.914 361 3HB ALA 47 3HB ALA 47 -2.148 2.213 8.929 362 H ASP 48 H ASP 48 -1.434 0.673 6.459 363 HA ASP 48 HA ASP 48 -4.212 0.213 5.969 364 1HB ASP 48 2HB ASP 48 -1.964 1.310 4.536 365 2HB ASP 48 1HB ASP 48 -2.835 0.176 3.509 366 HA PRO 49 HA PRO 49 -3.664 -4.205 5.429 367 1HB PRO 49 2HB PRO 49 -6.256 -4.842 5.148 368 2HB PRO 49 1HB PRO 49 -5.580 -4.370 6.712 369 1HG PRO 49 2HG PRO 49 -7.153 -2.734 4.757 370 2HG PRO 49 1HG PRO 49 -7.308 -2.821 6.522 371 1HD PRO 49 2HD PRO 49 -5.967 -0.826 5.222 372 2HD PRO 49 1HD PRO 49 -5.577 -1.358 6.869 373 H ARG 50 H ARG 50 -2.790 -3.009 3.243 374 HA ARG 50 HA ARG 50 -4.435 -4.067 1.039 375 1HB ARG 50 2HB ARG 50 -2.626 -1.672 1.189 376 2HB ARG 50 1HB ARG 50 -3.017 -2.414 -0.357 377 1HG ARG 50 2HG ARG 50 -4.610 -0.775 -0.227 378 2HG ARG 50 1HG ARG 50 -5.479 -2.148 0.459 379 1HD ARG 50 2HD ARG 50 -4.839 -1.360 2.720 380 2HD ARG 50 1HD ARG 50 -4.098 0.058 1.981 381 HE ARG 50 HE ARG 50 -6.185 0.955 1.665 382 1HH1 ARG 50 1HH1 ARG 50 -6.504 -2.420 2.502 383 2HH1 ARG 50 2HH1 ARG 50 -8.221 -2.335 2.705 384 1HH2 ARG 50 1HH2 ARG 50 -8.444 1.067 1.932 385 2HH2 ARG 50 2HH2 ARG 50 -9.323 -0.356 2.381 386 H LEU 51 H LEU 51 -1.008 -3.223 1.613 387 HA LEU 51 HA LEU 51 -0.272 -5.701 0.211 388 1HB LEU 51 2HB LEU 51 1.677 -3.505 0.786 389 2HB LEU 51 1HB LEU 51 1.702 -4.698 -0.498 390 HG LEU 51 HG LEU 51 1.234 -2.687 -1.588 391 1HD1 LEU 51 1HD1 LEU 51 -1.597 -3.495 -1.203 392 2HD1 LEU 51 2HD1 LEU 51 -0.470 -4.685 -1.848 393 3HD1 LEU 51 3HD1 LEU 51 -0.707 -3.153 -2.687 394 1HD2 LEU 51 1HD2 LEU 51 0.251 -1.861 0.895 395 2HD2 LEU 51 2HD2 LEU 51 -1.106 -1.723 -0.223 396 3HD2 LEU 51 3HD2 LEU 51 0.410 -0.895 -0.572 397 H VAL 52 H VAL 52 2.183 -6.268 1.029 398 HA VAL 52 HA VAL 52 1.825 -6.811 3.891 399 HB VAL 52 HB VAL 52 3.160 -8.736 3.653 400 1HG1 VAL 52 1HG1 VAL 52 1.913 -10.033 2.204 401 2HG1 VAL 52 2HG1 VAL 52 1.806 -8.757 0.992 402 3HG1 VAL 52 3HG1 VAL 52 0.852 -8.649 2.471 403 1HG2 VAL 52 1HG2 VAL 52 4.204 -9.176 1.287 404 2HG2 VAL 52 2HG2 VAL 52 5.057 -8.184 2.471 405 3HG2 VAL 52 3HG2 VAL 52 4.152 -7.416 1.167 406 H VAL 53 H VAL 53 3.464 -6.482 5.386 407 HA VAL 53 HA VAL 53 5.786 -4.930 4.443 408 HB VAL 53 HB VAL 53 4.302 -3.362 5.467 409 1HG1 VAL 53 1HG1 VAL 53 4.226 -4.171 8.186 410 2HG1 VAL 53 2HG1 VAL 53 3.652 -5.511 7.194 411 3HG1 VAL 53 3HG1 VAL 53 2.883 -3.929 7.070 412 1HG2 VAL 53 1HG2 VAL 53 6.909 -3.909 6.474 413 2HG2 VAL 53 2HG2 VAL 53 5.912 -3.271 7.783 414 3HG2 VAL 53 3HG2 VAL 53 6.096 -2.356 6.287 415 H GLN 54 H GLN 54 7.581 -5.982 4.831 416 HA GLN 54 HA GLN 54 7.803 -7.573 7.303 417 1HB GLN 54 2HB GLN 54 7.647 -8.704 4.849 418 2HB GLN 54 1HB GLN 54 9.385 -8.475 4.977 419 1HG GLN 54 2HG GLN 54 7.975 -9.702 7.279 420 2HG GLN 54 1HG GLN 54 8.188 -10.672 5.822 421 1HE2 GLN 54 1HE2 GLN 54 9.511 -12.040 7.152 422 2HE2 GLN 54 2HE2 GLN 54 11.162 -11.623 7.444 423 H ILE 55 H ILE 55 9.685 -7.424 8.431 424 HA ILE 55 HA ILE 55 11.543 -5.336 7.574 425 HB ILE 55 HB ILE 55 12.431 -5.493 9.894 426 1HG1 ILE 55 2HG1 ILE 55 10.166 -6.871 11.036 427 2HG1 ILE 55 1HG1 ILE 55 11.003 -7.924 9.901 428 1HG2 ILE 55 1HG2 ILE 55 10.615 -3.921 9.182 429 2HG2 ILE 55 2HG2 ILE 55 10.635 -4.302 10.904 430 3HG2 ILE 55 3HG2 ILE 55 9.452 -5.068 9.845 431 1HD1 ILE 55 1HD1 ILE 55 13.067 -7.648 11.096 432 2HD1 ILE 55 2HD1 ILE 55 11.802 -8.139 12.220 433 3HD1 ILE 55 3HD1 ILE 55 12.328 -6.457 12.167 434 H THR 56 H THR 56 13.345 -5.877 6.567 435 HA THR 56 HA THR 56 14.621 -8.445 7.236 436 HB THR 56 HB THR 56 15.548 -8.226 4.813 437 HG1 THR 56 1HG THR 56 13.161 -6.723 4.556 438 1HG2 THR 56 1HG2 THR 56 12.766 -8.819 4.377 439 2HG2 THR 56 2HG2 THR 56 13.366 -9.588 5.847 440 3HG2 THR 56 3HG2 THR 56 14.173 -9.880 4.305 441 H GLU 57 H GLU 57 16.269 -7.886 8.520 442 HA GLU 57 HA GLU 57 17.646 -5.459 8.510 443 1HB GLU 57 2HB GLU 57 18.125 -8.157 9.659 444 2HB GLU 57 1HB GLU 57 19.503 -7.068 9.577 445 1HG GLU 57 2HG GLU 57 17.127 -5.777 10.633 446 2HG GLU 57 1HG GLU 57 17.622 -7.178 11.581 447 H THR 58 H THR 58 18.981 -8.591 7.440 448 HA THR 58 HA THR 58 20.505 -9.125 5.840 449 HB THR 58 HB THR 58 20.074 -6.618 4.313 450 HG1 THR 58 1HG THR 58 18.011 -8.475 4.867 451 1HG2 THR 58 1HG2 THR 58 20.806 -9.305 3.750 452 2HG2 THR 58 2HG2 THR 58 20.751 -7.915 2.665 453 3HG2 THR 58 3HG2 THR 58 19.319 -8.922 2.881 454 H GLY 59 H GLY 59 22.380 -7.941 4.424 455 1HA GLY 59 2HA GLY 59 23.807 -6.187 6.330 456 2HA GLY 59 1HA GLY 59 24.606 -7.494 5.470 457 H SER 60 H SER 60 25.605 -4.949 5.335 458 HA SER 60 HA SER 60 25.811 -4.530 2.568 459 1HB SER 60 2HB SER 60 23.728 -2.953 3.980 460 2HB SER 60 1HB SER 60 24.765 -2.068 2.861 461 HG SER 60 HG SER 60 23.472 -4.479 2.142 462 H GLN 61 H GLN 61 27.825 -3.836 2.377 463 HA GLN 61 HA GLN 61 29.118 -2.469 4.582 464 1HB GLN 61 2HB GLN 61 30.013 -4.325 2.822 465 2HB GLN 61 1HB GLN 61 30.592 -2.856 2.049 466 1HG GLN 61 2HG GLN 61 32.181 -2.531 3.582 467 2HG GLN 61 1HG GLN 61 31.117 -2.964 4.919 468 1HE2 GLN 61 1HE2 GLN 61 33.907 -3.765 3.594 469 2HE2 GLN 61 2HE2 GLN 61 33.945 -5.466 3.891 470 H GLU 62 H GLU 62 29.069 -1.861 1.064 471 HA GLU 62 HA GLU 62 28.647 0.985 1.615 472 1HB GLU 62 2HB GLU 62 30.386 1.606 -0.012 473 2HB GLU 62 1HB GLU 62 31.055 0.731 1.358 474 1HG GLU 62 2HG GLU 62 30.399 -1.179 -0.613 475 2HG GLU 62 1HG GLU 62 31.250 0.138 -1.417 476 H GLY 63 H GLY 63 26.904 -1.118 0.618 477 1HA GLY 63 2HA GLY 63 25.313 -1.401 -1.012 478 2HA GLY 63 1HA GLY 63 25.655 0.259 -1.480 479 H GLY 64 H GLY 64 25.664 0.077 -3.665 480 1HA GLY 64 2HA GLY 64 27.498 -0.212 -5.369 481 2HA GLY 64 1HA GLY 64 27.543 -1.884 -4.827 482 H GLU 65 H GLU 65 24.758 -2.308 -4.587 483 HA GLU 65 HA GLU 65 24.124 -2.724 -7.375 484 1HB GLU 65 2HB GLU 65 23.632 -4.164 -5.104 485 2HB GLU 65 1HB GLU 65 22.074 -3.395 -5.374 486 1HG GLU 65 2HG GLU 65 22.771 -4.311 -7.876 487 2HG GLU 65 1HG GLU 65 23.348 -5.579 -6.795 488 H GLY 66 H GLY 66 22.899 -1.440 -8.586 489 1HA GLY 66 2HA GLY 66 20.790 -0.256 -8.861 490 2HA GLY 66 1HA GLY 66 20.995 0.363 -7.230 491 H LEU 67 H LEU 67 23.660 0.212 -9.471 492 HA LEU 67 HA LEU 67 23.370 2.975 -10.283 493 1HB LEU 67 2HB LEU 67 25.519 3.687 -9.356 494 2HB LEU 67 1HB LEU 67 24.384 3.243 -8.095 495 HG LEU 67 HG LEU 67 25.616 0.917 -8.242 496 1HD1 LEU 67 1HD1 LEU 67 28.145 1.688 -8.552 497 2HD1 LEU 67 2HD1 LEU 67 27.385 2.785 -9.705 498 3HD1 LEU 67 3HD1 LEU 67 27.180 1.042 -9.878 499 1HD2 LEU 67 1HD2 LEU 67 27.267 1.801 -6.549 500 2HD2 LEU 67 2HD2 LEU 67 25.568 2.142 -6.220 501 3HD2 LEU 67 3HD2 LEU 67 26.610 3.405 -6.875 502 H SER 68 H SER 68 25.052 3.636 -11.816 503 HA SER 68 HA SER 68 26.396 3.321 -13.625 504 1HB SER 68 2HB SER 68 27.626 1.842 -11.779 505 2HB SER 68 1HB SER 68 27.124 0.535 -12.851 506 HG SER 68 HG SER 68 29.249 1.794 -13.178 507 H LYS 69 H LYS 69 25.204 0.023 -12.968 508 HA LYS 69 HA LYS 69 23.998 0.038 -15.657 509 1HB LYS 69 2HB LYS 69 25.020 -2.312 -14.052 510 2HB LYS 69 1HB LYS 69 24.265 -2.414 -15.637 511 1HG LYS 69 2HG LYS 69 26.137 -0.879 -16.440 512 2HG LYS 69 1HG LYS 69 26.931 -1.252 -14.908 513 1HD LYS 69 2HD LYS 69 26.994 -3.586 -15.431 514 2HD LYS 69 1HD LYS 69 25.977 -3.348 -16.855 515 1HE LYS 69 2HE LYS 69 28.049 -3.461 -17.830 516 2HE LYS 69 1HE LYS 69 27.907 -1.722 -17.571 517 1HZ LYS 69 1HZ LYS 69 29.939 -2.057 -16.669 518 2HZ LYS 69 2HZ LYS 69 29.631 -3.666 -16.243 519 3HZ LYS 69 3HZ LYS 69 29.024 -2.406 -15.290 520 H GLU 70 H GLU 70 21.879 0.359 -15.507 521 HA GLU 70 HA GLU 70 20.134 -1.456 -14.323 522 1HB GLU 70 2HB GLU 70 21.218 0.261 -12.403 523 2HB GLU 70 1HB GLU 70 19.615 0.909 -12.725 524 1HG GLU 70 2HG GLU 70 19.532 -1.958 -12.451 525 2HG GLU 70 1HG GLU 70 20.280 -1.206 -11.045 526 HA PRO 71 HA PRO 71 17.714 2.614 -15.643 527 1HB PRO 71 2HB PRO 71 19.955 4.041 -16.968 528 2HB PRO 71 1HB PRO 71 18.633 4.684 -15.989 529 1HG PRO 71 2HG PRO 71 21.107 4.530 -15.010 530 2HG PRO 71 1HG PRO 71 19.696 4.190 -13.990 531 1HD PRO 71 2HD PRO 71 21.614 2.287 -15.272 532 2HD PRO 71 1HD PRO 71 20.851 2.213 -13.670 533 H ALA 72 H ALA 72 17.890 3.819 -18.117 534 HA ALA 72 HA ALA 72 17.753 1.493 -19.868 535 1HB ALA 72 1HB ALA 72 16.611 4.230 -19.898 536 2HB ALA 72 2HB ALA 72 15.850 2.678 -20.253 537 3HB ALA 72 3HB ALA 72 16.891 3.445 -21.452 538 H GLY 73 H GLY 73 18.382 2.073 -22.263 539 1HA GLY 73 2HA GLY 73 21.202 2.864 -22.148 540 2HA GLY 73 1HA GLY 73 20.439 1.946 -23.437 541 H SER 74 H SER 74 22.054 4.560 -23.219 542 HA SER 74 HA SER 74 20.164 6.297 -24.655 543 1HB SER 74 2HB SER 74 22.159 7.986 -24.213 544 2HB SER 74 1HB SER 74 20.965 7.643 -22.963 545 HG SER 74 HG SER 74 22.822 7.315 -21.925 546 H ASP 75 H ASP 75 21.541 7.845 -26.198 547 HA ASP 75 HA ASP 75 23.748 6.714 -27.561 548 1HB ASP 75 2HB ASP 75 21.476 5.378 -28.207 549 2HB ASP 75 1HB ASP 75 21.443 6.662 -29.413 550 H GLU 76 H GLU 76 24.273 7.920 -29.565 551 HA GLU 76 HA GLU 76 24.607 9.862 -30.697 552 1HB GLU 76 2HB GLU 76 21.924 9.502 -30.744 553 2HB GLU 76 1HB GLU 76 22.016 11.064 -29.941 554 1HG GLU 76 2HG GLU 76 22.068 11.922 -31.990 555 2HG GLU 76 1HG GLU 76 23.747 11.384 -32.030 556 H GLN 77 H GLN 77 24.834 9.639 -27.605 557 HA GLN 77 HA GLN 77 26.087 12.069 -27.140 558 1HB GLN 77 2HB GLN 77 23.387 12.519 -27.175 559 2HB GLN 77 1HB GLN 77 23.674 12.235 -25.464 560 1HG GLN 77 2HG GLN 77 24.912 14.122 -25.211 561 2HG GLN 77 1HG GLN 77 25.503 14.092 -26.872 562 1HE2 GLN 77 1HE2 GLN 77 25.018 16.286 -27.118 563 2HE2 GLN 77 2HE2 GLN 77 23.395 16.842 -27.327 564 H LYS 78 H LYS 78 26.117 12.507 -24.583 565 HA LYS 78 HA LYS 78 26.118 9.953 -23.151 566 1HB LYS 78 2HB LYS 78 28.489 11.829 -23.218 567 2HB LYS 78 1HB LYS 78 28.365 10.354 -22.270 568 1HG LYS 78 2HG LYS 78 28.518 8.987 -24.152 569 2HG LYS 78 1HG LYS 78 28.116 10.305 -25.253 570 1HD LYS 78 2HD LYS 78 30.334 10.410 -25.597 571 2HD LYS 78 1HD LYS 78 30.367 11.263 -24.054 572 1HE LYS 78 2HE LYS 78 31.669 9.664 -23.232 573 2HE LYS 78 1HE LYS 78 30.355 8.510 -23.456 574 1HZ LYS 78 1HZ LYS 78 32.720 8.258 -24.620 575 2HZ LYS 78 2HZ LYS 78 31.928 9.150 -25.819 576 3HZ LYS 78 3HZ LYS 78 31.292 7.668 -25.310 577 H GLN 79 H GLN 79 24.293 10.829 -22.060 578 HA GLN 79 HA GLN 79 25.048 12.659 -19.904 579 1HB GLN 79 2HB GLN 79 23.627 13.612 -22.008 580 2HB GLN 79 1HB GLN 79 22.320 13.051 -20.974 581 1HG GLN 79 2HG GLN 79 22.893 14.521 -19.253 582 2HG GLN 79 1HG GLN 79 24.496 14.820 -19.923 583 1HE2 GLN 79 1HE2 GLN 79 24.002 17.068 -19.733 584 2HE2 GLN 79 2HE2 GLN 79 23.037 17.851 -20.934 585 H LEU 80 H LEU 80 23.571 12.581 -18.065 586 HA LEU 80 HA LEU 80 22.552 9.876 -17.688 587 1HB LEU 80 2HB LEU 80 23.969 11.592 -16.063 588 2HB LEU 80 1HB LEU 80 22.340 11.718 -15.427 589 HG LEU 80 HG LEU 80 23.511 10.033 -14.190 590 1HD1 LEU 80 1HD1 LEU 80 21.832 8.534 -14.168 591 2HD1 LEU 80 2HD1 LEU 80 21.933 8.234 -15.903 592 3HD1 LEU 80 3HD1 LEU 80 21.087 9.660 -15.303 593 1HD2 LEU 80 1HD2 LEU 80 24.349 9.135 -16.895 594 2HD2 LEU 80 2HD2 LEU 80 24.142 7.913 -15.640 595 3HD2 LEU 80 3HD2 LEU 80 25.276 9.242 -15.399 596 H ARG 81 H ARG 81 20.451 9.366 -17.261 597 HA ARG 81 HA ARG 81 18.186 9.543 -17.254 598 1HB ARG 81 2HB ARG 81 18.869 12.275 -16.168 599 2HB ARG 81 1HB ARG 81 17.221 11.677 -16.299 600 1HG ARG 81 2HG ARG 81 17.880 9.758 -14.851 601 2HG ARG 81 1HG ARG 81 19.444 10.541 -14.618 602 1HD ARG 81 2HD ARG 81 18.190 11.200 -12.760 603 2HD ARG 81 1HD ARG 81 18.098 12.580 -13.854 604 HE ARG 81 HE ARG 81 15.844 12.224 -14.064 605 1HH1 ARG 81 1HH1 ARG 81 17.306 9.411 -12.605 606 2HH1 ARG 81 2HH1 ARG 81 15.790 8.663 -12.230 607 1HH2 ARG 81 1HH2 ARG 81 13.849 11.243 -13.570 608 2HH2 ARG 81 2HH2 ARG 81 13.828 9.702 -12.778 609 H ALA 82 H ALA 82 16.466 10.201 -18.568 610 HA ALA 82 HA ALA 82 16.551 12.442 -20.287 611 1HB ALA 82 1HB ALA 82 18.265 11.377 -21.509 612 2HB ALA 82 2HB ALA 82 16.788 11.131 -22.440 613 3HB ALA 82 3HB ALA 82 17.440 9.819 -21.458 614 H ASP 83 H ASP 83 14.690 11.134 -18.554 615 HA ASP 83 HA ASP 83 12.691 10.014 -20.366 616 1HB ASP 83 2HB ASP 83 13.270 9.786 -17.510 617 2HB ASP 83 1HB ASP 83 11.559 10.042 -17.841 618 HA PRO 84 HA PRO 84 10.638 13.962 -20.526 619 1HB PRO 84 2HB PRO 84 8.382 13.195 -21.783 620 2HB PRO 84 1HB PRO 84 9.939 13.284 -22.617 621 1HG PRO 84 2HG PRO 84 8.524 10.896 -21.493 622 2HG PRO 84 1HG PRO 84 9.370 11.069 -23.043 623 1HD PRO 84 2HD PRO 84 10.485 9.882 -20.858 624 2HD PRO 84 1HD PRO 84 11.434 10.727 -22.096 625 HA PRO 85 HA PRO 85 8.360 13.416 -16.622 626 1HB PRO 85 2HB PRO 85 8.084 16.351 -17.006 627 2HB PRO 85 1HB PRO 85 8.626 15.447 -15.588 628 1HG PRO 85 2HG PRO 85 10.370 16.768 -17.103 629 2HG PRO 85 1HG PRO 85 10.778 15.187 -16.413 630 1HD PRO 85 2HD PRO 85 9.985 15.889 -19.209 631 2HD PRO 85 1HD PRO 85 11.191 14.718 -18.639 632 H SER 86 H SER 86 7.374 15.018 -19.564 633 HA SER 86 HA SER 86 5.362 15.266 -20.584 634 1HB SER 86 2HB SER 86 4.569 13.154 -18.570 635 2HB SER 86 1HB SER 86 3.499 13.733 -19.847 636 HG SER 86 HG SER 86 4.538 11.931 -20.616 637 H THR 87 H THR 87 4.070 14.631 -17.341 638 HA THR 87 HA THR 87 3.469 17.460 -16.986 639 HB THR 87 HB THR 87 1.066 16.529 -16.264 640 HG1 THR 87 1HG THR 87 1.619 14.392 -16.972 641 1HG2 THR 87 1HG2 THR 87 0.900 16.794 -19.095 642 2HG2 THR 87 2HG2 THR 87 2.045 17.977 -18.462 643 3HG2 THR 87 3HG2 THR 87 0.397 17.922 -17.836 644 H ASP 88 H ASP 88 4.656 17.634 -15.151 645 HA ASP 88 HA ASP 88 3.548 16.595 -12.736 646 1HB ASP 88 2HB ASP 88 5.223 14.815 -13.908 647 2HB ASP 88 1HB ASP 88 6.372 15.742 -12.949 648 H LEU 89 H LEU 89 6.443 17.985 -14.246 649 HA LEU 89 HA LEU 89 6.955 19.600 -11.877 650 1HB LEU 89 2HB LEU 89 8.452 19.181 -14.455 651 2HB LEU 89 1HB LEU 89 8.924 20.400 -13.286 652 HG LEU 89 HG LEU 89 10.246 18.323 -13.100 653 1HD1 LEU 89 1HD1 LEU 89 9.321 19.884 -11.110 654 2HD1 LEU 89 2HD1 LEU 89 10.450 18.550 -10.871 655 3HD1 LEU 89 3HD1 LEU 89 8.727 18.311 -10.581 656 1HD2 LEU 89 1HD2 LEU 89 7.681 17.046 -12.169 657 2HD2 LEU 89 2HD2 LEU 89 9.265 16.285 -12.315 658 3HD2 LEU 89 3HD2 LEU 89 8.396 16.794 -13.762 659 H ASN 90 H ASN 90 5.792 19.913 -15.157 660 HA ASN 90 HA ASN 90 5.989 22.605 -15.637 661 1HB ASN 90 2HB ASN 90 4.942 20.683 -17.055 662 2HB ASN 90 1HB ASN 90 3.434 21.180 -16.293 663 1HD2 ASN 90 1HD2 ASN 90 4.244 21.306 -19.086 664 2HD2 ASN 90 2HD2 ASN 90 4.114 22.965 -19.550 665 H THR 91 H THR 91 3.473 20.961 -13.731 666 HA THR 91 HA THR 91 1.868 23.210 -13.262 667 HB THR 91 HB THR 91 2.215 20.936 -11.319 668 HG1 THR 91 1HG THR 91 0.689 19.833 -12.616 669 1HG2 THR 91 1HG2 THR 91 0.686 22.589 -10.526 670 2HG2 THR 91 2HG2 THR 91 -0.234 21.187 -11.073 671 3HG2 THR 91 3HG2 THR 91 -0.147 22.631 -12.080 672 H PHE 92 H PHE 92 4.992 22.545 -12.036 673 HA PHE 92 HA PHE 92 4.573 24.469 -9.850 674 1HB PHE 92 2HB PHE 92 6.810 22.447 -10.063 675 2HB PHE 92 1HB PHE 92 6.412 23.440 -8.675 676 HD1 PHE 92 2HD PHE 92 3.720 23.159 -8.101 677 HD2 PHE 92 1HD PHE 92 6.324 20.235 -9.762 678 HE1 PHE 92 2HE PHE 92 2.271 21.377 -7.226 679 HE2 PHE 92 1HE PHE 92 4.878 18.446 -8.893 680 HZ PHE 92 HZ PHE 92 2.846 19.016 -7.621 681 H THR 93 H THR 93 5.107 26.417 -10.638 682 HA THR 93 HA THR 93 7.279 26.729 -12.524 683 HB THR 93 HB THR 93 6.521 29.276 -11.851 684 HG1 THR 93 1HG THR 93 4.890 28.397 -10.467 685 1HG2 THR 93 1HG2 THR 93 5.985 27.451 -14.017 686 2HG2 THR 93 2HG2 THR 93 6.246 29.195 -14.043 687 3HG2 THR 93 3HG2 THR 93 4.634 28.549 -13.738 688 H VAL 94 H VAL 94 6.699 28.964 -9.851 689 HA VAL 94 HA VAL 94 9.229 28.254 -8.605 690 HB VAL 94 HB VAL 94 8.783 31.107 -9.466 691 1HG1 VAL 94 1HG1 VAL 94 10.422 30.073 -7.544 692 2HG1 VAL 94 2HG1 VAL 94 10.689 31.593 -8.397 693 3HG1 VAL 94 3HG1 VAL 94 11.487 30.120 -8.948 694 1HG2 VAL 94 1HG2 VAL 94 10.285 28.899 -10.848 695 2HG2 VAL 94 2HG2 VAL 94 10.633 30.605 -11.127 696 3HG2 VAL 94 3HG2 VAL 94 9.038 29.956 -11.510 697 H GLU 95 H GLU 95 6.737 30.801 -8.609 698 HA GLU 95 HA GLU 95 6.897 31.217 -5.790 699 1HB GLU 95 2HB GLU 95 4.832 32.591 -6.150 700 2HB GLU 95 1HB GLU 95 6.195 33.049 -7.163 701 1HG GLU 95 2HG GLU 95 4.452 31.078 -8.408 702 2HG GLU 95 1HG GLU 95 3.633 32.590 -8.016 703 H GLN 96 H GLN 96 5.263 28.978 -7.781 704 HA GLN 96 HA GLN 96 3.120 28.393 -5.948 705 1HB GLN 96 2HB GLN 96 3.641 27.884 -8.660 706 2HB GLN 96 1HB GLN 96 3.668 26.303 -7.891 707 1HG GLN 96 2HG GLN 96 1.460 26.299 -7.548 708 2HG GLN 96 1HG GLN 96 1.427 27.995 -7.069 709 1HE2 GLN 96 1HE2 GLN 96 -0.140 28.836 -8.279 710 2HE2 GLN 96 2HE2 GLN 96 -0.222 28.759 -10.003 711 H LEU 97 H LEU 97 6.356 27.489 -6.421 712 HA LEU 97 HA LEU 97 6.210 24.933 -5.143 713 1HB LEU 97 2HB LEU 97 8.642 26.657 -5.604 714 2HB LEU 97 1HB LEU 97 8.614 24.954 -5.268 715 HG LEU 97 HG LEU 97 8.087 24.383 -7.439 716 1HD1 LEU 97 1HD1 LEU 97 7.119 27.189 -7.969 717 2HD1 LEU 97 2HD1 LEU 97 6.081 25.790 -7.701 718 3HD1 LEU 97 3HD1 LEU 97 7.131 25.853 -9.109 719 1HD2 LEU 97 1HD2 LEU 97 9.656 26.937 -7.543 720 2HD2 LEU 97 2HD2 LEU 97 9.511 25.812 -8.892 721 3HD2 LEU 97 3HD2 LEU 97 10.269 25.302 -7.387 722 H LYS 98 H LYS 98 7.722 28.013 -4.334 723 HA LYS 98 HA LYS 98 8.281 27.420 -1.651 724 1HB LYS 98 2HB LYS 98 8.620 29.833 -1.394 725 2HB LYS 98 1HB LYS 98 9.361 29.241 -2.874 726 1HG LYS 98 2HG LYS 98 7.145 29.981 -3.987 727 2HG LYS 98 1HG LYS 98 6.941 30.952 -2.527 728 1HD LYS 98 2HD LYS 98 8.013 32.222 -4.338 729 2HD LYS 98 1HD LYS 98 9.068 32.052 -2.933 730 1HE LYS 98 2HE LYS 98 10.593 30.881 -4.079 731 2HE LYS 98 1HE LYS 98 9.369 29.898 -4.882 732 1HZ LYS 98 1HZ LYS 98 9.733 32.698 -5.702 733 2HZ LYS 98 2HZ LYS 98 9.188 31.379 -6.608 734 3HZ LYS 98 3HZ LYS 98 10.832 31.532 -6.245 735 H ALA 99 H ALA 99 5.340 28.462 -3.214 736 HA ALA 99 HA ALA 99 4.116 29.312 -0.743 737 1HB ALA 99 1HB ALA 99 2.049 29.482 -2.246 738 2HB ALA 99 2HB ALA 99 3.167 29.161 -3.572 739 3HB ALA 99 3HB ALA 99 3.391 30.582 -2.554 740 H GLN 100 H GLN 100 4.187 26.488 -2.695 741 HA GLN 100 HA GLN 100 1.970 25.268 -1.279 742 1HB GLN 100 2HB GLN 100 3.657 24.496 -3.610 743 2HB GLN 100 1HB GLN 100 2.871 23.215 -2.700 744 1HG GLN 100 2HG GLN 100 0.733 23.995 -3.210 745 2HG GLN 100 1HG GLN 100 1.330 25.579 -3.699 746 1HE2 GLN 100 1HE2 GLN 100 0.535 22.429 -4.690 747 2HE2 GLN 100 2HE2 GLN 100 0.995 22.579 -6.348 748 H LEU 101 H LEU 101 5.446 25.250 -1.235 749 HA LEU 101 HA LEU 101 5.791 22.886 0.285 750 1HB LEU 101 2HB LEU 101 7.443 25.158 -0.569 751 2HB LEU 101 1HB LEU 101 7.922 24.479 0.977 752 HG LEU 101 HG LEU 101 7.707 22.971 -1.633 753 1HD1 LEU 101 1HD1 LEU 101 9.930 23.214 -1.908 754 2HD1 LEU 101 2HD1 LEU 101 10.258 23.190 -0.175 755 3HD1 LEU 101 3HD1 LEU 101 9.674 24.668 -0.942 756 1HD2 LEU 101 1HD2 LEU 101 7.354 21.924 0.860 757 2HD2 LEU 101 2HD2 LEU 101 9.091 21.739 0.634 758 3HD2 LEU 101 3HD2 LEU 101 7.971 21.036 -0.532 759 H THR 102 H THR 102 5.550 26.311 1.160 760 HA THR 102 HA THR 102 5.858 25.938 3.941 761 HB THR 102 HB THR 102 4.291 28.191 3.716 762 HG1 THR 102 1HG THR 102 4.745 29.170 1.830 763 1HG2 THR 102 1HG2 THR 102 7.131 27.618 3.911 764 2HG2 THR 102 2HG2 THR 102 6.142 28.797 4.773 765 3HG2 THR 102 3HG2 THR 102 6.772 29.179 3.170 766 H GLU 103 H GLU 103 3.061 26.002 1.804 767 HA GLU 103 HA GLU 103 1.181 25.759 3.929 768 1HB GLU 103 2HB GLU 103 0.980 26.470 1.307 769 2HB GLU 103 1HB GLU 103 0.333 24.835 1.266 770 1HG GLU 103 2HG GLU 103 -1.551 26.109 1.616 771 2HG GLU 103 1HG GLU 103 -1.122 25.614 3.253 772 H ARG 104 H ARG 104 3.352 23.627 2.667 773 HA ARG 104 HA ARG 104 1.683 21.282 3.255 774 1HB ARG 104 2HB ARG 104 3.915 21.793 1.392 775 2HB ARG 104 1HB ARG 104 3.955 20.233 2.202 776 1HG ARG 104 2HG ARG 104 2.050 19.491 1.175 777 2HG ARG 104 1HG ARG 104 1.415 21.120 0.933 778 1HD ARG 104 2HD ARG 104 3.282 21.475 -0.721 779 2HD ARG 104 1HD ARG 104 3.622 19.750 -0.591 780 HE ARG 104 HE ARG 104 1.435 20.989 -1.990 781 1HH1 ARG 104 1HH1 ARG 104 2.573 18.065 -0.460 782 2HH1 ARG 104 2HH1 ARG 104 1.517 17.033 -1.365 783 1HH2 ARG 104 1HH2 ARG 104 0.046 19.633 -3.180 784 2HH2 ARG 104 2HH2 ARG 104 0.084 17.922 -2.910 785 H GLY 105 H GLY 105 4.213 23.200 4.484 786 1HA GLY 105 2HA GLY 105 5.142 23.022 6.617 787 2HA GLY 105 1HA GLY 105 4.539 21.376 6.718 788 H ILE 106 H ILE 106 6.892 23.260 4.799 789 HA ILE 106 HA ILE 106 8.953 21.321 5.459 790 HB ILE 106 HB ILE 106 8.387 21.918 2.562 791 1HG1 ILE 106 2HG1 ILE 106 7.682 19.453 4.168 792 2HG1 ILE 106 1HG1 ILE 106 6.540 20.594 3.467 793 1HG2 ILE 106 1HG2 ILE 106 10.702 21.150 3.671 794 2HG2 ILE 106 2HG2 ILE 106 10.196 20.664 2.054 795 3HG2 ILE 106 3HG2 ILE 106 9.958 19.572 3.418 796 1HD1 ILE 106 1HD1 ILE 106 7.085 19.919 1.268 797 2HD1 ILE 106 2HD1 ILE 106 6.845 18.450 2.214 798 3HD1 ILE 106 3HD1 ILE 106 8.479 18.993 1.826 799 H THR 107 H THR 107 10.270 22.842 6.384 800 HA THR 107 HA THR 107 10.630 25.474 5.545 801 HB THR 107 HB THR 107 12.979 25.066 6.714 802 HG1 THR 107 1HG THR 107 12.665 22.755 6.658 803 1HG2 THR 107 1HG2 THR 107 11.879 25.181 8.949 804 2HG2 THR 107 2HG2 THR 107 10.329 25.003 8.126 805 3HG2 THR 107 3HG2 THR 107 11.347 26.405 7.796 806 H PHE 108 H PHE 108 11.543 26.311 3.795 807 HA PHE 108 HA PHE 108 13.706 24.819 2.471 808 1HB PHE 108 2HB PHE 108 12.797 25.458 0.286 809 2HB PHE 108 1HB PHE 108 11.630 24.505 1.199 810 HD1 PHE 108 1HD PHE 108 9.879 25.849 2.558 811 HD2 PHE 108 2HD PHE 108 12.145 27.457 -0.664 812 HE1 PHE 108 1HE PHE 108 8.200 27.623 2.267 813 HE2 PHE 108 2HE PHE 108 10.470 29.235 -0.960 814 HZ PHE 108 HZ PHE 108 8.494 29.319 0.508 815 H LYS 109 H LYS 109 13.070 27.508 4.140 816 HA LYS 109 HA LYS 109 14.572 29.328 2.407 817 1HB LYS 109 2HB LYS 109 12.604 29.655 4.565 818 2HB LYS 109 1HB LYS 109 13.952 30.782 4.645 819 1HG LYS 109 2HG LYS 109 13.322 31.887 2.778 820 2HG LYS 109 1HG LYS 109 12.674 30.439 2.006 821 1HD LYS 109 2HD LYS 109 10.641 30.602 3.119 822 2HD LYS 109 1HD LYS 109 11.310 31.625 4.392 823 1HE LYS 109 2HE LYS 109 11.188 33.527 3.117 824 2HE LYS 109 1HE LYS 109 11.319 32.645 1.596 825 1HZ LYS 109 1HZ LYS 109 9.002 31.730 2.352 826 2HZ LYS 109 2HZ LYS 109 9.128 33.222 1.565 827 3HZ LYS 109 3HZ LYS 109 8.954 33.166 3.246 828 H GLN 110 H GLN 110 15.847 27.071 3.713 829 HA GLN 110 HA GLN 110 18.001 28.529 4.987 830 1HB GLN 110 2HB GLN 110 16.216 27.690 6.729 831 2HB GLN 110 1HB GLN 110 17.005 26.137 6.481 832 1HG GLN 110 2HG GLN 110 18.453 26.750 8.041 833 2HG GLN 110 1HG GLN 110 19.105 27.892 6.868 834 1HE2 GLN 110 1HE2 GLN 110 16.092 27.846 8.733 835 2HE2 GLN 110 2HE2 GLN 110 16.333 29.381 9.488 836 H SER 111 H SER 111 17.489 26.897 2.547 837 HA SER 111 HA SER 111 19.947 25.623 2.328 838 1HB SER 111 2HB SER 111 19.138 23.212 2.257 839 2HB SER 111 1HB SER 111 19.256 23.934 3.862 840 HG SER 111 HG SER 111 17.258 22.734 3.313 841 H ALA 112 H ALA 112 16.566 25.613 1.344 842 HA ALA 112 HA ALA 112 17.182 24.705 -1.328 843 1HB ALA 112 1HB ALA 112 15.092 23.971 -0.960 844 2HB ALA 112 2HB ALA 112 14.618 25.589 -1.481 845 3HB ALA 112 3HB ALA 112 14.756 25.220 0.239 846 H THR 113 H THR 113 16.042 26.055 -3.149 847 HA THR 113 HA THR 113 16.354 28.920 -2.810 848 HB THR 113 HB THR 113 17.863 29.025 -4.845 849 HG1 THR 113 1HG THR 113 18.117 26.271 -4.234 850 1HG2 THR 113 1HG2 THR 113 19.934 28.403 -3.620 851 2HG2 THR 113 2HG2 THR 113 18.914 27.772 -2.328 852 3HG2 THR 113 3HG2 THR 113 18.858 29.486 -2.739 853 H LYS 114 H LYS 114 16.476 26.951 -5.765 854 HA LYS 114 HA LYS 114 13.706 27.602 -6.328 855 1HB LYS 114 2HB LYS 114 14.424 28.347 -8.681 856 2HB LYS 114 1HB LYS 114 14.615 29.489 -7.359 857 1HG LYS 114 2HG LYS 114 17.027 28.211 -7.351 858 2HG LYS 114 1HG LYS 114 16.623 28.235 -9.068 859 1HD LYS 114 2HD LYS 114 16.047 30.729 -8.639 860 2HD LYS 114 1HD LYS 114 17.028 30.528 -7.185 861 1HE LYS 114 2HE LYS 114 18.775 29.517 -8.822 862 2HE LYS 114 1HE LYS 114 17.840 30.356 -10.060 863 1HZ LYS 114 1HZ LYS 114 19.835 31.511 -8.840 864 2HZ LYS 114 2HZ LYS 114 18.650 31.866 -7.686 865 3HZ LYS 114 3HZ LYS 114 18.457 32.389 -9.283 866 H ALA 115 H ALA 115 16.642 26.054 -7.547 867 HA ALA 115 HA ALA 115 15.118 24.217 -9.157 868 1HB ALA 115 1HB ALA 115 17.296 23.171 -9.630 869 2HB ALA 115 2HB ALA 115 18.052 24.241 -8.449 870 3HB ALA 115 3HB ALA 115 17.322 24.912 -9.909 871 H GLU 116 H GLU 116 16.371 24.359 -5.948 872 HA GLU 116 HA GLU 116 16.131 21.502 -5.510 873 1HB GLU 116 2HB GLU 116 17.307 23.770 -4.090 874 2HB GLU 116 1HB GLU 116 16.474 22.646 -3.026 875 1HG GLU 116 2HG GLU 116 18.726 21.958 -3.117 876 2HG GLU 116 1HG GLU 116 17.807 20.808 -4.086 877 H LEU 117 H LEU 117 14.362 24.449 -4.723 878 HA LEU 117 HA LEU 117 12.497 23.020 -3.062 879 1HB LEU 117 2HB LEU 117 11.739 25.016 -2.362 880 2HB LEU 117 1HB LEU 117 13.259 25.565 -3.005 881 HG LEU 117 HG LEU 117 10.502 25.979 -4.095 882 1HD1 LEU 117 1HD1 LEU 117 11.595 28.306 -4.301 883 2HD1 LEU 117 2HD1 LEU 117 12.829 27.648 -3.230 884 3HD1 LEU 117 3HD1 LEU 117 11.150 27.714 -2.701 885 1HD2 LEU 117 1HD2 LEU 117 11.373 25.471 -6.123 886 2HD2 LEU 117 2HD2 LEU 117 13.033 25.774 -5.616 887 3HD2 LEU 117 3HD2 LEU 117 11.960 27.123 -5.990 888 H ILE 118 H ILE 118 12.809 23.633 -6.397 889 HA ILE 118 HA ILE 118 9.985 23.288 -6.921 890 HB ILE 118 HB ILE 118 11.503 24.695 -8.389 891 1HG1 ILE 118 2HG1 ILE 118 9.213 23.769 -9.000 892 2HG1 ILE 118 1HG1 ILE 118 10.243 24.249 -10.342 893 1HG2 ILE 118 1HG2 ILE 118 12.457 22.010 -9.363 894 2HG2 ILE 118 2HG2 ILE 118 13.427 23.277 -8.602 895 3HG2 ILE 118 3HG2 ILE 118 12.721 23.542 -10.192 896 1HD1 ILE 118 1HD1 ILE 118 10.773 21.532 -9.865 897 2HD1 ILE 118 2HD1 ILE 118 9.925 22.254 -11.231 898 3HD1 ILE 118 3HD1 ILE 118 9.022 21.730 -9.810 899 H ALA 119 H ALA 119 12.900 21.361 -6.782 900 HA ALA 119 HA ALA 119 11.656 19.055 -8.024 901 1HB ALA 119 1HB ALA 119 13.955 18.050 -7.208 902 2HB ALA 119 2HB ALA 119 14.390 19.757 -7.113 903 3HB ALA 119 3HB ALA 119 13.846 19.069 -8.643 904 H LEU 120 H LEU 120 12.483 20.194 -4.814 905 HA LEU 120 HA LEU 120 12.148 17.674 -3.541 906 1HB LEU 120 2HB LEU 120 12.530 18.755 -1.521 907 2HB LEU 120 1HB LEU 120 13.466 19.669 -2.685 908 HG LEU 120 HG LEU 120 11.430 21.266 -2.750 909 1HD1 LEU 120 1HD1 LEU 120 9.693 20.756 -1.469 910 2HD1 LEU 120 2HD1 LEU 120 10.722 20.912 -0.046 911 3HD1 LEU 120 3HD1 LEU 120 10.536 19.345 -0.830 912 1HD2 LEU 120 1HD2 LEU 120 13.188 21.058 -0.308 913 2HD2 LEU 120 2HD2 LEU 120 12.306 22.496 -0.819 914 3HD2 LEU 120 3HD2 LEU 120 13.603 21.853 -1.827 915 H PHE 121 H PHE 121 9.882 19.970 -4.682 916 HA PHE 121 HA PHE 121 7.756 20.253 -3.256 917 1HB PHE 121 2HB PHE 121 8.113 19.660 -5.981 918 2HB PHE 121 1HB PHE 121 6.763 18.667 -5.440 919 HD1 PHE 121 2HD PHE 121 5.021 19.966 -3.914 920 HD2 PHE 121 1HD PHE 121 7.668 21.768 -6.713 921 HE1 PHE 121 2HE PHE 121 3.538 21.923 -4.049 922 HE2 PHE 121 1HE PHE 121 6.200 23.727 -6.842 923 HZ PHE 121 HZ PHE 121 4.127 23.810 -5.517 924 H ALA 122 H ALA 122 7.624 19.032 -1.394 925 HA ALA 122 HA ALA 122 6.810 17.397 -0.036 926 1HB ALA 122 1HB ALA 122 5.533 15.825 -2.168 927 2HB ALA 122 2HB ALA 122 5.028 17.512 -2.065 928 3HB ALA 122 3HB ALA 122 4.865 16.455 -0.663 929 HA PRO 123 HA PRO 123 10.201 14.544 -1.275 930 1HB PRO 123 2HB PRO 123 11.389 14.457 1.148 931 2HB PRO 123 1HB PRO 123 11.674 15.775 0.004 932 1HG PRO 123 2HG PRO 123 9.859 15.691 2.384 933 2HG PRO 123 1HG PRO 123 10.949 16.986 1.853 934 1HD PRO 123 2HD PRO 123 8.271 17.009 1.371 935 2HD PRO 123 1HD PRO 123 9.455 17.773 0.292 936 H ALA 124 H ALA 124 7.854 13.390 -1.151 937 HA ALA 124 HA ALA 124 6.810 11.430 -0.648 938 1HB ALA 124 1HB ALA 124 9.453 10.845 -0.328 939 2HB ALA 124 2HB ALA 124 8.138 9.676 -0.212 940 3HB ALA 124 3HB ALA 124 8.796 10.411 1.250 941 H ASP 125 H ASP 125 8.582 12.028 2.388 942 HA ASP 125 HA ASP 125 6.191 11.625 3.932 943 1HB ASP 125 2HB ASP 125 8.632 11.034 4.576 944 2HB ASP 125 1HB ASP 125 8.763 12.730 5.030 945 H GLY 126 H GLY 126 5.092 13.137 5.186 946 1HA GLY 126 2HA GLY 126 5.016 15.431 6.084 947 2HA GLY 126 1HA GLY 126 5.683 15.962 4.547 948 H GLU 127 H GLU 127 2.863 15.383 6.325 949 HA GLU 127 HA GLU 127 1.242 16.129 4.010 950 1HB GLU 127 2HB GLU 127 1.294 13.516 4.945 951 2HB GLU 127 1HB GLU 127 -0.140 14.197 5.701 952 1HG GLU 127 2HG GLU 127 -1.067 14.779 3.581 953 2HG GLU 127 1HG GLU 127 0.428 14.348 2.752 954 H LYS 128 H LYS 128 1.204 15.469 7.505 955 HA LYS 128 HA LYS 128 0.239 18.057 8.141 956 1HB LYS 128 2HB LYS 128 -1.791 16.596 7.214 957 2HB LYS 128 1HB LYS 128 -1.804 16.020 8.876 958 1HG LYS 128 2HG LYS 128 -3.348 17.831 8.683 959 2HG LYS 128 1HG LYS 128 -1.966 18.375 9.636 960 1HD LYS 128 2HD LYS 128 -2.001 20.144 8.243 961 2HD LYS 128 1HD LYS 128 -1.170 19.054 7.132 962 1HE LYS 128 2HE LYS 128 -3.081 18.649 5.892 963 2HE LYS 128 1HE LYS 128 -4.156 19.103 7.214 964 1HZ LYS 128 1HZ LYS 128 -4.288 20.865 5.721 965 2HZ LYS 128 2HZ LYS 128 -2.626 20.866 5.403 966 3HZ LYS 128 3HZ LYS 128 -3.201 21.427 6.891 967 H SER 129 H SER 129 -0.073 18.355 10.453 968 HA SER 129 HA SER 129 0.979 16.162 12.101 969 1HB SER 129 2HB SER 129 1.901 19.042 12.265 970 2HB SER 129 1HB SER 129 2.431 17.723 13.310 971 HG SER 129 HG SER 129 3.682 16.985 11.764 972 H GLU 130 H GLU 130 0.343 16.192 14.288 973 HA GLU 130 HA GLU 130 -1.666 18.185 15.049 974 1HB GLU 130 2HB GLU 130 -3.110 16.350 15.953 975 2HB GLU 130 1HB GLU 130 -3.004 16.387 14.199 976 1HG GLU 130 2HG GLU 130 -1.595 14.506 14.139 977 2HG GLU 130 1HG GLU 130 -1.267 14.600 15.869 978 H ALA 131 H ALA 131 1.044 17.899 15.874 979 HA ALA 131 HA ALA 131 2.313 17.934 17.763 980 1HB ALA 131 1HB ALA 131 1.307 18.623 19.774 981 2HB ALA 131 2HB ALA 131 -0.236 17.882 19.353 982 3HB ALA 131 3HB ALA 131 0.313 19.323 18.497 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 24.927 11.416 16.981 2 2H GLY 1 2HT GLY 1 26.434 11.667 16.257 3 3H GLY 1 3HT GLY 1 26.314 11.547 17.940 4 1HA GLY 1 1HA GLY 1 25.344 9.291 16.359 5 2HA GLY 1 2HA GLY 1 27.082 9.523 16.453 6 H SER 2 H SER 2 24.184 9.307 18.496 7 HA SER 2 HA SER 2 25.689 8.685 20.853 8 1HB SER 2 2HB SER 2 23.521 9.800 21.031 9 2HB SER 2 1HB SER 2 22.728 8.418 20.276 10 HG SER 2 HG SER 2 23.413 7.161 22.072 11 H HIS 3 H HIS 3 23.209 6.744 19.175 12 HA HIS 3 HA HIS 3 24.892 4.438 19.026 13 1HB HIS 3 2HB HIS 3 24.149 4.557 21.475 14 2HB HIS 3 1HB HIS 3 22.534 4.177 20.887 15 HD1 HIS 3 1HD HIS 3 25.631 2.581 19.467 16 HD2 HIS 3 2HD HIS 3 22.454 1.631 21.971 17 HE1 HIS 3 1HE HIS 3 25.773 0.096 19.821 18 HE2 HIS 3 2HE HIS 3 23.788 -0.468 21.268 19 H MET 4 H MET 4 24.293 4.371 16.880 20 HA MET 4 HA MET 4 21.514 4.331 16.110 21 1HB MET 4 2HB MET 4 23.280 5.337 14.679 22 2HB MET 4 1HB MET 4 23.973 3.737 14.453 23 1HG MET 4 2HG MET 4 21.404 3.301 13.711 24 2HG MET 4 1HG MET 4 21.625 4.976 13.211 25 1HE MET 4 1HE MET 4 21.843 5.089 10.648 26 2HE MET 4 2HE MET 4 23.469 4.800 10.033 27 3HE MET 4 3HE MET 4 23.233 5.808 11.461 28 H ASP 5 H ASP 5 20.289 2.596 15.557 29 HA ASP 5 HA ASP 5 21.276 0.029 14.952 30 1HB ASP 5 2HB ASP 5 20.822 0.638 17.806 31 2HB ASP 5 1HB ASP 5 20.091 -0.858 17.232 32 H LYS 6 H LYS 6 18.617 1.886 16.353 33 HA LYS 6 HA LYS 6 16.596 0.064 15.454 34 1HB LYS 6 2HB LYS 6 16.351 1.563 17.441 35 2HB LYS 6 1HB LYS 6 16.273 2.934 16.342 36 1HG LYS 6 2HG LYS 6 14.106 2.621 16.030 37 2HG LYS 6 1HG LYS 6 14.380 0.953 15.524 38 1HD LYS 6 2HD LYS 6 14.625 1.340 18.407 39 2HD LYS 6 1HD LYS 6 13.027 1.750 17.782 40 1HE LYS 6 2HE LYS 6 14.456 -0.838 17.195 41 2HE LYS 6 1HE LYS 6 13.291 -0.632 18.502 42 1HZ LYS 6 1HZ LYS 6 11.632 0.009 16.832 43 2HZ LYS 6 2HZ LYS 6 12.212 -1.560 16.581 44 3HZ LYS 6 3HZ LYS 6 12.755 -0.292 15.601 45 H THR 7 H THR 7 17.316 -0.036 13.201 46 HA THR 7 HA THR 7 15.747 1.715 11.552 47 HB THR 7 HB THR 7 17.744 3.085 11.849 48 HG1 THR 7 1HG THR 7 17.965 3.540 9.759 49 1HG2 THR 7 1HG2 THR 7 19.770 2.225 11.985 50 2HG2 THR 7 2HG2 THR 7 19.649 1.685 10.310 51 3HG2 THR 7 3HG2 THR 7 19.125 0.624 11.619 52 H PHE 8 H PHE 8 15.023 0.585 9.863 53 HA PHE 8 HA PHE 8 16.639 -1.567 8.738 54 1HB PHE 8 2HB PHE 8 14.225 -2.837 8.839 55 2HB PHE 8 1HB PHE 8 15.554 -3.108 9.962 56 HD1 PHE 8 2HD PHE 8 15.565 -1.976 12.155 57 HD2 PHE 8 1HD PHE 8 12.213 -1.791 9.524 58 HE1 PHE 8 2HE PHE 8 14.137 -1.274 14.033 59 HE2 PHE 8 1HE PHE 8 10.784 -1.090 11.410 60 HZ PHE 8 HZ PHE 8 11.745 -0.829 13.660 61 H CYS 9 H CYS 9 16.147 -2.137 6.640 62 HA CYS 9 HA CYS 9 14.387 -0.269 5.224 63 1HB CYS 9 2HB CYS 9 16.122 -2.327 3.876 64 2HB CYS 9 1HB CYS 9 15.587 -0.765 3.268 65 HG CYS 9 HG CYS 9 17.992 -0.323 3.835 66 H VAL 10 H VAL 10 12.334 -0.943 4.899 67 HA VAL 10 HA VAL 10 11.841 -3.844 4.747 68 HB VAL 10 HB VAL 10 10.680 -1.970 6.394 69 1HG1 VAL 10 1HG1 VAL 10 8.410 -1.654 5.772 70 2HG1 VAL 10 2HG1 VAL 10 8.582 -2.710 4.368 71 3HG1 VAL 10 3HG1 VAL 10 9.392 -1.144 4.400 72 1HG2 VAL 10 1HG2 VAL 10 9.940 -3.818 7.373 73 2HG2 VAL 10 2HG2 VAL 10 10.659 -4.697 6.030 74 3HG2 VAL 10 3HG2 VAL 10 8.955 -4.252 5.975 75 H VAL 11 H VAL 11 10.345 -4.666 3.250 76 HA VAL 11 HA VAL 11 9.543 -2.874 1.091 77 HB VAL 11 HB VAL 11 11.632 -3.869 0.382 78 1HG1 VAL 11 1HG1 VAL 11 10.269 -6.508 0.849 79 2HG1 VAL 11 2HG1 VAL 11 11.646 -5.852 1.733 80 3HG1 VAL 11 3HG1 VAL 11 11.821 -6.298 0.037 81 1HG2 VAL 11 1HG2 VAL 11 9.091 -4.485 -0.990 82 2HG2 VAL 11 2HG2 VAL 11 10.522 -5.325 -1.586 83 3HG2 VAL 11 3HG2 VAL 11 10.486 -3.562 -1.547 84 H VAL 12 H VAL 12 7.506 -3.170 0.488 85 HA VAL 12 HA VAL 12 6.044 -5.466 1.562 86 HB VAL 12 HB VAL 12 4.020 -4.186 0.904 87 1HG1 VAL 12 1HG1 VAL 12 4.385 -3.777 3.099 88 2HG1 VAL 12 2HG1 VAL 12 4.716 -2.151 2.502 89 3HG1 VAL 12 3HG1 VAL 12 6.048 -3.256 2.836 90 1HG2 VAL 12 1HG2 VAL 12 5.897 -2.692 -0.607 91 2HG2 VAL 12 2HG2 VAL 12 5.189 -1.609 0.592 92 3HG2 VAL 12 3HG2 VAL 12 4.148 -2.491 -0.525 93 H GLN 13 H GLN 13 6.136 -7.180 0.236 94 HA GLN 13 HA GLN 13 5.885 -6.799 -2.652 95 1HB GLN 13 2HB GLN 13 7.551 -8.411 -1.480 96 2HB GLN 13 1HB GLN 13 6.154 -9.460 -1.278 97 1HG GLN 13 2HG GLN 13 7.003 -8.383 -3.948 98 2HG GLN 13 1HG GLN 13 7.615 -9.897 -3.285 99 1HE2 GLN 13 1HE2 GLN 13 4.782 -8.215 -4.445 100 2HE2 GLN 13 2HE2 GLN 13 3.827 -9.623 -4.744 101 H ASN 14 H ASN 14 3.820 -6.511 -3.292 102 HA ASN 14 HA ASN 14 1.741 -8.150 -2.022 103 1HB ASN 14 2HB ASN 14 0.121 -6.548 -2.888 104 2HB ASN 14 1HB ASN 14 1.354 -5.720 -1.955 105 1HD2 ASN 14 1HD2 ASN 14 -0.504 -5.059 -4.292 106 2HD2 ASN 14 2HD2 ASN 14 0.532 -4.247 -5.409 107 H ARG 15 H ARG 15 0.944 -9.804 -3.054 108 HA ARG 15 HA ARG 15 1.206 -9.940 -5.981 109 1HB ARG 15 2HB ARG 15 1.628 -11.872 -3.884 110 2HB ARG 15 1HB ARG 15 0.350 -12.438 -4.951 111 1HG ARG 15 2HG ARG 15 1.757 -12.484 -6.809 112 2HG ARG 15 1HG ARG 15 2.957 -11.443 -6.040 113 1HD ARG 15 2HD ARG 15 3.599 -13.861 -6.193 114 2HD ARG 15 1HD ARG 15 3.637 -13.184 -4.566 115 HE ARG 15 HE ARG 15 1.127 -14.390 -5.095 116 1HH1 ARG 15 1HH1 ARG 15 4.449 -15.163 -4.351 117 2HH1 ARG 15 2HH1 ARG 15 4.060 -16.674 -3.600 118 1HH2 ARG 15 1HH2 ARG 15 0.615 -16.378 -4.107 119 2HH2 ARG 15 2HH2 ARG 15 1.884 -17.363 -3.461 120 H ILE 16 H ILE 16 -0.764 -8.476 -4.362 121 HA ILE 16 HA ILE 16 -3.265 -9.893 -4.679 122 HB ILE 16 HB ILE 16 -2.599 -7.135 -3.640 123 1HG1 ILE 16 2HG1 ILE 16 -3.851 -9.139 -1.889 124 2HG1 ILE 16 1HG1 ILE 16 -2.238 -9.568 -2.450 125 1HG2 ILE 16 1HG2 ILE 16 -5.171 -7.921 -2.800 126 2HG2 ILE 16 2HG2 ILE 16 -5.111 -8.124 -4.551 127 3HG2 ILE 16 3HG2 ILE 16 -4.722 -6.562 -3.829 128 1HD1 ILE 16 1HD1 ILE 16 -2.827 -6.899 -1.227 129 2HD1 ILE 16 2HD1 ILE 16 -1.270 -7.699 -1.437 130 3HD1 ILE 16 3HD1 ILE 16 -2.424 -8.313 -0.253 131 H LYS 17 H LYS 17 -2.046 -6.708 -5.787 132 HA LYS 17 HA LYS 17 -2.806 -7.072 -8.466 133 1HB LYS 17 2HB LYS 17 -4.783 -5.625 -8.584 134 2HB LYS 17 1HB LYS 17 -5.084 -7.028 -7.569 135 1HG LYS 17 2HG LYS 17 -4.906 -5.735 -5.585 136 2HG LYS 17 1HG LYS 17 -4.310 -4.338 -6.481 137 1HD LYS 17 2HD LYS 17 -6.431 -4.038 -7.553 138 2HD LYS 17 1HD LYS 17 -7.034 -5.560 -6.892 139 1HE LYS 17 2HE LYS 17 -6.448 -4.407 -4.598 140 2HE LYS 17 1HE LYS 17 -6.619 -2.933 -5.550 141 1HZ LYS 17 1HZ LYS 17 -8.671 -3.840 -4.369 142 2HZ LYS 17 2HZ LYS 17 -8.707 -5.021 -5.579 143 3HZ LYS 17 3HZ LYS 17 -8.841 -3.387 -5.991 144 H GLU 18 H GLU 18 -3.315 -4.587 -9.385 145 HA GLU 18 HA GLU 18 -1.068 -2.990 -8.344 146 1HB GLU 18 2HB GLU 18 -0.774 -2.106 -10.589 147 2HB GLU 18 1HB GLU 18 -0.708 -3.862 -10.624 148 1HG GLU 18 2HG GLU 18 -3.184 -3.757 -11.252 149 2HG GLU 18 1HG GLU 18 -2.892 -2.051 -11.580 150 H GLY 19 H GLY 19 -4.159 -3.061 -7.885 151 1HA GLY 19 2HA GLY 19 -4.703 -0.236 -8.498 152 2HA GLY 19 1HA GLY 19 -5.921 -1.452 -8.140 153 H TYR 20 H TYR 20 -4.058 -2.395 -5.890 154 HA TYR 20 HA TYR 20 -5.297 -0.894 -3.834 155 1HB TYR 20 2HB TYR 20 -4.418 -3.369 -3.829 156 2HB TYR 20 1HB TYR 20 -2.899 -2.624 -3.341 157 HD1 TYR 20 1HD TYR 20 -6.378 -1.691 -2.388 158 HD2 TYR 20 2HD TYR 20 -2.636 -3.264 -1.117 159 HE1 TYR 20 1HE TYR 20 -7.157 -1.642 -0.057 160 HE2 TYR 20 2HE TYR 20 -3.403 -3.220 1.219 161 HH TYR 20 HH TYR 20 -5.454 -1.596 2.453 162 H ARG 21 H ARG 21 -4.818 1.160 -3.803 163 HA ARG 21 HA ARG 21 -2.378 2.063 -2.688 164 1HB ARG 21 2HB ARG 21 -1.469 3.225 -4.620 165 2HB ARG 21 1HB ARG 21 -1.604 1.500 -4.946 166 1HG ARG 21 2HG ARG 21 -3.812 2.026 -6.065 167 2HG ARG 21 1HG ARG 21 -3.321 3.720 -5.997 168 1HD ARG 21 2HD ARG 21 -1.186 2.997 -7.162 169 2HD ARG 21 1HD ARG 21 -1.981 1.449 -7.446 170 HE ARG 21 HE ARG 21 -3.505 3.726 -8.327 171 1HH1 ARG 21 1HH1 ARG 21 -1.050 1.404 -9.203 172 2HH1 ARG 21 2HH1 ARG 21 -1.319 1.576 -10.904 173 1HH2 ARG 21 1HH2 ARG 21 -3.858 3.954 -10.564 174 2HH2 ARG 21 2HH2 ARG 21 -2.912 3.023 -11.678 175 H ARG 22 H ARG 22 -2.252 4.626 -3.184 176 HA ARG 22 HA ARG 22 -4.760 5.651 -2.246 177 1HB ARG 22 2HB ARG 22 -2.074 6.860 -2.789 178 2HB ARG 22 1HB ARG 22 -3.466 7.898 -2.524 179 1HG ARG 22 2HG ARG 22 -3.291 5.843 -0.502 180 2HG ARG 22 1HG ARG 22 -1.809 6.796 -0.590 181 1HD ARG 22 2HD ARG 22 -4.577 7.972 -0.385 182 2HD ARG 22 1HD ARG 22 -3.510 7.695 0.992 183 HE ARG 22 HE ARG 22 -2.337 9.280 -1.106 184 1HH1 ARG 22 1HH1 ARG 22 -4.264 9.340 1.804 185 2HH1 ARG 22 2HH1 ARG 22 -3.883 10.989 2.171 186 1HH2 ARG 22 1HH2 ARG 22 -1.837 11.448 -0.625 187 2HH2 ARG 22 2HH2 ARG 22 -2.505 12.186 0.792 188 H ALA 23 H ALA 23 -2.764 6.164 -5.123 189 HA ALA 23 HA ALA 23 -4.900 6.232 -6.929 190 1HB ALA 23 1HB ALA 23 -5.410 8.358 -5.733 191 2HB ALA 23 2HB ALA 23 -5.108 8.563 -7.458 192 3HB ALA 23 3HB ALA 23 -3.859 8.988 -6.287 193 H GLY 24 H GLY 24 -2.240 5.167 -6.669 194 1HA GLY 24 2HA GLY 24 -0.754 4.606 -8.412 195 2HA GLY 24 1HA GLY 24 -1.174 6.108 -9.224 196 H PHE 25 H PHE 25 -0.546 6.429 -5.884 197 HA PHE 25 HA PHE 25 2.294 6.947 -6.257 198 1HB PHE 25 2HB PHE 25 2.222 9.227 -5.535 199 2HB PHE 25 1HB PHE 25 1.072 9.065 -6.857 200 HD1 PHE 25 2HD PHE 25 -1.368 8.243 -5.870 201 HD2 PHE 25 1HD PHE 25 1.536 10.625 -3.869 202 HE1 PHE 25 2HE PHE 25 -3.135 9.193 -4.447 203 HE2 PHE 25 1HE PHE 25 -0.225 11.580 -2.441 204 HZ PHE 25 HZ PHE 25 -2.565 10.864 -2.730 205 H SER 26 H SER 26 1.131 4.930 -4.820 206 HA SER 26 HA SER 26 2.164 5.451 -2.194 207 1HB SER 26 2HB SER 26 -0.669 5.671 -2.665 208 2HB SER 26 1HB SER 26 -0.333 4.355 -1.541 209 HG SER 26 HG SER 26 0.600 5.759 -0.156 210 H PHE 27 H PHE 27 0.438 3.245 -4.342 211 HA PHE 27 HA PHE 27 2.193 1.108 -3.523 212 1HB PHE 27 2HB PHE 27 -0.780 0.955 -3.035 213 2HB PHE 27 1HB PHE 27 0.312 -0.423 -2.941 214 HD1 PHE 27 1HD PHE 27 2.386 -0.044 -1.345 215 HD2 PHE 27 2HD PHE 27 -1.299 2.078 -1.100 216 HE1 PHE 27 1HE PHE 27 2.857 0.496 1.009 217 HE2 PHE 27 2HE PHE 27 -0.833 2.619 1.253 218 HZ PHE 27 HZ PHE 27 1.247 1.829 2.311 219 H HIS 28 H HIS 28 1.970 -0.820 -4.833 220 HA HIS 28 HA HIS 28 0.291 -0.788 -7.169 221 1HB HIS 28 2HB HIS 28 3.265 -0.710 -7.671 222 2HB HIS 28 1HB HIS 28 1.961 -0.575 -8.843 223 HD1 HIS 28 1HD HIS 28 0.920 1.736 -9.197 224 HD2 HIS 28 2HD HIS 28 3.840 1.660 -6.242 225 HE1 HIS 28 1HE HIS 28 1.413 4.147 -8.677 226 HE2 HIS 28 2HE HIS 28 3.255 4.074 -6.960 227 H LEU 29 H LEU 29 1.016 -2.688 -8.669 228 HA LEU 29 HA LEU 29 1.175 -5.017 -7.003 229 1HB LEU 29 2HB LEU 29 -0.204 -4.887 -9.069 230 2HB LEU 29 1HB LEU 29 1.269 -4.822 -10.014 231 HG LEU 29 HG LEU 29 1.865 -7.059 -9.366 232 1HD1 LEU 29 1HD1 LEU 29 0.483 -8.409 -7.894 233 2HD1 LEU 29 2HD1 LEU 29 -0.603 -7.043 -7.635 234 3HD1 LEU 29 3HD1 LEU 29 1.060 -6.971 -7.054 235 1HD2 LEU 29 1HD2 LEU 29 0.312 -8.203 -10.620 236 2HD2 LEU 29 2HD2 LEU 29 0.010 -6.539 -11.121 237 3HD2 LEU 29 3HD2 LEU 29 -1.050 -7.311 -9.942 238 H GLY 30 H GLY 30 3.112 -5.288 -6.056 239 1HA GLY 30 2HA GLY 30 5.199 -6.570 -7.203 240 2HA GLY 30 1HA GLY 30 5.581 -4.881 -7.500 241 H ASP 31 H ASP 31 7.299 -4.615 -6.179 242 HA ASP 31 HA ASP 31 6.757 -4.828 -3.305 243 1HB ASP 31 2HB ASP 31 9.267 -5.515 -3.125 244 2HB ASP 31 1HB ASP 31 8.059 -6.736 -3.511 245 H ASN 32 H ASN 32 7.114 -2.978 -2.318 246 HA ASN 32 HA ASN 32 8.902 -1.015 -3.592 247 1HB ASN 32 2HB ASN 32 6.293 -0.692 -2.837 248 2HB ASN 32 1HB ASN 32 7.139 -0.098 -1.411 249 1HD2 ASN 32 1HD2 ASN 32 5.991 1.883 -2.163 250 2HD2 ASN 32 2HD2 ASN 32 6.825 2.909 -3.274 251 H SER 33 H SER 33 10.814 -0.671 -2.627 252 HA SER 33 HA SER 33 11.266 -1.784 0.008 253 1HB SER 33 2HB SER 33 13.642 -0.722 -0.524 254 2HB SER 33 1HB SER 33 13.132 -2.261 -1.221 255 HG SER 33 HG SER 33 12.904 0.280 -2.469 256 H LEU 34 H LEU 34 11.922 -0.716 1.785 257 HA LEU 34 HA LEU 34 11.506 2.198 1.779 258 1HB LEU 34 2HB LEU 34 9.723 1.150 2.988 259 2HB LEU 34 1HB LEU 34 10.826 0.102 3.854 260 HG LEU 34 HG LEU 34 9.738 2.112 5.040 261 1HD1 LEU 34 1HD1 LEU 34 11.930 2.321 6.352 262 2HD1 LEU 34 2HD1 LEU 34 12.564 1.153 5.188 263 3HD1 LEU 34 3HD1 LEU 34 11.193 0.727 6.204 264 1HD2 LEU 34 1HD2 LEU 34 11.085 3.546 3.104 265 2HD2 LEU 34 2HD2 LEU 34 12.117 3.691 4.526 266 3HD2 LEU 34 3HD2 LEU 34 10.428 4.185 4.609 267 H ALA 35 H ALA 35 13.029 3.468 2.769 268 HA ALA 35 HA ALA 35 15.626 2.404 3.166 269 1HB ALA 35 1HB ALA 35 14.732 4.833 2.483 270 2HB ALA 35 2HB ALA 35 16.329 4.551 3.173 271 3HB ALA 35 3HB ALA 35 15.008 5.097 4.204 272 H ALA 36 H ALA 36 16.859 2.573 5.139 273 HA ALA 36 HA ALA 36 15.439 1.476 7.330 274 1HB ALA 36 1HB ALA 36 18.182 2.542 7.716 275 2HB ALA 36 2HB ALA 36 17.949 1.231 6.562 276 3HB ALA 36 3HB ALA 36 17.477 1.017 8.248 277 H VAL 37 H VAL 37 14.078 2.627 8.465 278 HA VAL 37 HA VAL 37 14.955 5.221 9.540 279 HB VAL 37 HB VAL 37 13.009 6.264 9.018 280 1HG1 VAL 37 1HG1 VAL 37 13.873 4.840 6.943 281 2HG1 VAL 37 2HG1 VAL 37 12.451 5.879 6.851 282 3HG1 VAL 37 3HG1 VAL 37 12.258 4.142 7.094 283 1HG2 VAL 37 1HG2 VAL 37 11.686 3.660 9.657 284 2HG2 VAL 37 2HG2 VAL 37 10.802 4.895 8.762 285 3HG2 VAL 37 3HG2 VAL 37 11.432 5.255 10.368 286 H SER 38 H SER 38 13.140 5.796 11.363 287 HA SER 38 HA SER 38 13.786 4.312 13.592 288 1HB SER 38 2HB SER 38 11.222 5.871 13.213 289 2HB SER 38 1HB SER 38 12.007 5.487 14.745 290 HG SER 38 HG SER 38 13.860 6.697 13.809 291 H GLU 39 H GLU 39 10.503 4.300 12.169 292 HA GLU 39 HA GLU 39 10.285 1.499 12.008 293 1HB GLU 39 2HB GLU 39 10.406 1.880 14.533 294 2HB GLU 39 1HB GLU 39 8.805 2.590 14.390 295 1HG GLU 39 2HG GLU 39 8.298 0.320 13.145 296 2HG GLU 39 1HG GLU 39 9.665 -0.234 14.109 297 H SER 40 H SER 40 8.830 4.638 12.053 298 HA SER 40 HA SER 40 6.177 4.271 11.681 299 1HB SER 40 2HB SER 40 7.834 6.376 11.327 300 2HB SER 40 1HB SER 40 7.411 6.037 9.648 301 HG SER 40 HG SER 40 5.975 7.514 10.776 302 H GLN 41 H GLN 41 8.699 3.510 9.367 303 HA GLN 41 HA GLN 41 7.200 3.104 7.065 304 1HB GLN 41 2HB GLN 41 8.979 1.351 6.534 305 2HB GLN 41 1HB GLN 41 9.496 3.011 6.769 306 1HG GLN 41 2HG GLN 41 11.070 1.686 7.887 307 2HG GLN 41 1HG GLN 41 10.051 2.362 9.150 308 1HE2 GLN 41 1HE2 GLN 41 9.722 -0.403 6.958 309 2HE2 GLN 41 2HE2 GLN 41 9.455 -1.573 8.200 310 H LEU 42 H LEU 42 7.761 0.944 9.783 311 HA LEU 42 HA LEU 42 6.521 -1.319 8.590 312 1HB LEU 42 2HB LEU 42 8.131 -1.489 10.445 313 2HB LEU 42 1HB LEU 42 6.980 -0.701 11.508 314 HG LEU 42 HG LEU 42 5.447 -2.741 10.726 315 1HD1 LEU 42 1HD1 LEU 42 6.506 -4.601 10.013 316 2HD1 LEU 42 2HD1 LEU 42 7.969 -4.254 10.935 317 3HD1 LEU 42 3HD1 LEU 42 7.678 -3.435 9.401 318 1HD2 LEU 42 1HD2 LEU 42 7.537 -2.677 12.888 319 2HD2 LEU 42 2HD2 LEU 42 6.345 -3.971 12.751 320 3HD2 LEU 42 3HD2 LEU 42 5.817 -2.309 13.015 321 H ALA 43 H ALA 43 5.409 1.253 10.717 322 HA ALA 43 HA ALA 43 2.791 0.135 11.053 323 1HB ALA 43 1HB ALA 43 3.221 1.463 12.834 324 2HB ALA 43 2HB ALA 43 2.429 2.661 11.810 325 3HB ALA 43 3HB ALA 43 4.190 2.599 11.894 326 H GLN 44 H GLN 44 4.325 2.272 8.769 327 HA GLN 44 HA GLN 44 1.938 3.428 7.727 328 1HB GLN 44 2HB GLN 44 4.802 3.386 7.017 329 2HB GLN 44 1HB GLN 44 3.704 3.597 5.660 330 1HG GLN 44 2HG GLN 44 3.400 5.278 8.108 331 2HG GLN 44 1HG GLN 44 4.628 5.668 6.905 332 1HE2 GLN 44 1HE2 GLN 44 1.194 5.288 7.471 333 2HE2 GLN 44 2HE2 GLN 44 0.671 6.236 6.124 334 H LEU 45 H LEU 45 3.980 0.703 6.761 335 HA LEU 45 HA LEU 45 2.300 0.001 4.537 336 1HB LEU 45 2HB LEU 45 4.455 -1.651 5.844 337 2HB LEU 45 1HB LEU 45 3.792 -1.863 4.234 338 1HD1 LEU 45 1HD1 LEU 45 6.417 -1.204 2.997 339 2HD1 LEU 45 2HD1 LEU 45 6.367 -1.977 4.582 340 3HD1 LEU 45 3HD1 LEU 45 7.267 -0.477 4.359 341 1HD2 LEU 45 1HD2 LEU 45 3.726 1.055 3.466 342 2HD2 LEU 45 2HD2 LEU 45 4.410 -0.179 2.407 343 3HD2 LEU 45 3HD2 LEU 45 5.375 1.226 2.864 344 H LYS 46 H LYS 46 2.615 -0.923 7.880 345 HA LYS 46 HA LYS 46 1.105 -3.325 7.734 346 1HB LYS 46 2HB LYS 46 2.635 -2.869 9.587 347 2HB LYS 46 1HB LYS 46 1.645 -1.503 10.085 348 1HG LYS 46 2HG LYS 46 -0.133 -2.917 10.749 349 2HG LYS 46 1HG LYS 46 0.605 -4.321 9.974 350 1HD LYS 46 2HD LYS 46 2.010 -2.844 12.175 351 2HD LYS 46 1HD LYS 46 0.805 -4.083 12.532 352 1HE LYS 46 2HE LYS 46 2.114 -5.781 11.740 353 2HE LYS 46 1HE LYS 46 2.950 -4.744 10.585 354 1HZ LYS 46 1HZ LYS 46 4.606 -4.930 12.074 355 2HZ LYS 46 2HZ LYS 46 3.576 -5.304 13.363 356 3HZ LYS 46 3HZ LYS 46 3.779 -3.695 12.884 357 H ALA 47 H ALA 47 0.232 -0.005 7.724 358 HA ALA 47 HA ALA 47 -2.238 0.031 8.961 359 1HB ALA 47 1HB ALA 47 -2.097 1.540 6.441 360 2HB ALA 47 2HB ALA 47 -0.784 1.841 7.579 361 3HB ALA 47 3HB ALA 47 -2.459 2.088 8.077 362 H ASP 48 H ASP 48 -1.611 -0.589 5.502 363 HA ASP 48 HA ASP 48 -4.304 -1.278 4.928 364 1HB ASP 48 2HB ASP 48 -1.844 -2.046 3.348 365 2HB ASP 48 1HB ASP 48 -3.498 -1.940 2.752 366 HA PRO 49 HA PRO 49 -3.950 -5.445 6.563 367 1HB PRO 49 2HB PRO 49 -6.552 -6.049 6.538 368 2HB PRO 49 1HB PRO 49 -5.894 -4.886 7.697 369 1HG PRO 49 2HG PRO 49 -7.380 -4.389 5.149 370 2HG PRO 49 1HG PRO 49 -7.537 -3.574 6.714 371 1HD PRO 49 2HD PRO 49 -6.090 -2.594 4.580 372 2HD PRO 49 1HD PRO 49 -5.807 -2.149 6.274 373 H ARG 50 H ARG 50 -3.067 -5.306 4.008 374 HA ARG 50 HA ARG 50 -4.267 -7.673 2.825 375 1HB ARG 50 2HB ARG 50 -5.346 -5.550 1.843 376 2HB ARG 50 1HB ARG 50 -3.794 -5.281 1.063 377 1HG ARG 50 2HG ARG 50 -4.675 -6.470 -0.611 378 2HG ARG 50 1HG ARG 50 -4.276 -7.865 0.392 379 1HD ARG 50 2HD ARG 50 -6.673 -7.196 1.430 380 2HD ARG 50 1HD ARG 50 -6.894 -6.663 -0.236 381 HE ARG 50 HE ARG 50 -5.872 -9.170 -0.482 382 1HH1 ARG 50 1HH1 ARG 50 -8.604 -7.821 1.221 383 2HH1 ARG 50 2HH1 ARG 50 -9.553 -9.263 1.096 384 1HH2 ARG 50 1HH2 ARG 50 -7.121 -11.069 -0.647 385 2HH2 ARG 50 2HH2 ARG 50 -8.712 -11.107 0.037 386 H LEU 51 H LEU 51 -1.934 -5.120 1.938 387 HA LEU 51 HA LEU 51 -0.117 -6.891 0.715 388 1HB LEU 51 2HB LEU 51 0.592 -4.227 1.932 389 2HB LEU 51 1HB LEU 51 1.383 -5.040 0.594 390 HG LEU 51 HG LEU 51 -1.343 -3.750 0.580 391 1HD1 LEU 51 1HD1 LEU 51 0.174 -2.048 0.251 392 2HD1 LEU 51 2HD1 LEU 51 -0.157 -2.564 -1.403 393 3HD1 LEU 51 3HD1 LEU 51 1.321 -3.089 -0.593 394 1HD2 LEU 51 1HD2 LEU 51 -0.583 -4.546 -2.016 395 2HD2 LEU 51 2HD2 LEU 51 -1.949 -5.117 -1.058 396 3HD2 LEU 51 3HD2 LEU 51 -0.402 -5.955 -0.971 397 H VAL 52 H VAL 52 2.305 -6.875 1.564 398 HA VAL 52 HA VAL 52 2.195 -7.718 4.388 399 HB VAL 52 HB VAL 52 3.670 -9.510 3.960 400 1HG1 VAL 52 1HG1 VAL 52 1.891 -9.485 1.540 401 2HG1 VAL 52 2HG1 VAL 52 1.281 -9.739 3.175 402 3HG1 VAL 52 3HG1 VAL 52 2.435 -10.876 2.478 403 1HG2 VAL 52 1HG2 VAL 52 4.420 -9.818 1.450 404 2HG2 VAL 52 2HG2 VAL 52 5.357 -8.825 2.566 405 3HG2 VAL 52 3HG2 VAL 52 4.253 -8.062 1.423 406 H VAL 53 H VAL 53 3.459 -6.634 5.737 407 HA VAL 53 HA VAL 53 5.863 -5.324 4.625 408 HB VAL 53 HB VAL 53 4.462 -3.568 5.285 409 1HG1 VAL 53 1HG1 VAL 53 3.802 -5.285 7.635 410 2HG1 VAL 53 2HG1 VAL 53 2.724 -4.445 6.519 411 3HG1 VAL 53 3HG1 VAL 53 3.604 -3.536 7.749 412 1HG2 VAL 53 1HG2 VAL 53 6.340 -4.060 7.588 413 2HG2 VAL 53 2HG2 VAL 53 5.614 -2.509 7.165 414 3HG2 VAL 53 3HG2 VAL 53 6.748 -3.283 6.058 415 H GLN 54 H GLN 54 7.524 -6.568 5.126 416 HA GLN 54 HA GLN 54 7.810 -7.460 7.922 417 1HB GLN 54 2HB GLN 54 8.734 -9.009 5.498 418 2HB GLN 54 1HB GLN 54 8.836 -9.522 7.178 419 1HG GLN 54 2HG GLN 54 6.753 -10.294 7.179 420 2HG GLN 54 1HG GLN 54 6.127 -8.851 6.383 421 1HE2 GLN 54 1HE2 GLN 54 4.777 -10.618 5.406 422 2HE2 GLN 54 2HE2 GLN 54 5.364 -11.338 3.949 423 H ILE 55 H ILE 55 9.672 -6.934 8.885 424 HA ILE 55 HA ILE 55 11.629 -5.440 7.349 425 HB ILE 55 HB ILE 55 12.471 -4.590 9.349 426 1HG1 ILE 55 2HG1 ILE 55 12.839 -6.686 10.554 427 2HG1 ILE 55 1HG1 ILE 55 12.009 -5.523 11.578 428 1HG2 ILE 55 1HG2 ILE 55 10.495 -3.479 9.215 429 2HG2 ILE 55 2HG2 ILE 55 10.272 -4.254 10.783 430 3HG2 ILE 55 3HG2 ILE 55 9.526 -4.946 9.343 431 1HD1 ILE 55 1HD1 ILE 55 10.813 -7.903 10.191 432 2HD1 ILE 55 2HD1 ILE 55 9.872 -6.668 11.028 433 3HD1 ILE 55 3HD1 ILE 55 11.024 -7.657 11.924 434 H THR 56 H THR 56 13.348 -6.313 6.492 435 HA THR 56 HA THR 56 14.533 -8.689 7.765 436 HB THR 56 HB THR 56 15.334 -9.125 5.301 437 HG1 THR 56 1HG THR 56 12.956 -7.637 4.885 438 1HG2 THR 56 1HG2 THR 56 12.493 -9.653 6.137 439 2HG2 THR 56 2HG2 THR 56 13.892 -10.677 6.461 440 3HG2 THR 56 3HG2 THR 56 13.336 -10.443 4.804 441 H GLU 57 H GLU 57 16.287 -7.901 8.776 442 HA GLU 57 HA GLU 57 17.807 -5.702 7.760 443 1HB GLU 57 2HB GLU 57 17.482 -6.754 10.230 444 2HB GLU 57 1HB GLU 57 19.035 -7.457 9.799 445 1HG GLU 57 2HG GLU 57 20.019 -5.322 9.509 446 2HG GLU 57 1HG GLU 57 18.454 -4.516 9.603 447 H THR 58 H THR 58 17.942 -7.065 5.629 448 HA THR 58 HA THR 58 19.302 -8.002 4.074 449 HB THR 58 HB THR 58 21.438 -7.618 6.182 450 HG1 THR 58 1HG THR 58 21.783 -5.676 5.230 451 1HG2 THR 58 1HG2 THR 58 22.304 -7.408 3.441 452 2HG2 THR 58 2HG2 THR 58 21.670 -9.014 3.802 453 3HG2 THR 58 3HG2 THR 58 22.981 -8.344 4.773 454 H GLY 59 H GLY 59 20.864 -9.291 7.005 455 1HA GLY 59 2HA GLY 59 19.957 -11.598 7.648 456 2HA GLY 59 1HA GLY 59 20.312 -11.996 5.973 457 H SER 60 H SER 60 21.714 -11.110 9.071 458 HA SER 60 HA SER 60 23.745 -11.535 10.001 459 1HB SER 60 2HB SER 60 24.056 -13.489 7.706 460 2HB SER 60 1HB SER 60 25.035 -13.452 9.172 461 HG SER 60 HG SER 60 22.225 -13.851 9.111 462 H GLN 61 H GLN 61 25.256 -10.021 9.947 463 HA GLN 61 HA GLN 61 26.872 -8.594 9.227 464 1HB GLN 61 2HB GLN 61 27.116 -10.771 7.165 465 2HB GLN 61 1HB GLN 61 28.130 -9.337 7.106 466 1HG GLN 61 2HG GLN 61 28.986 -9.844 9.332 467 2HG GLN 61 1HG GLN 61 27.962 -11.278 9.400 468 1HE2 GLN 61 1HE2 GLN 61 30.062 -9.888 6.899 469 2HE2 GLN 61 2HE2 GLN 61 31.003 -11.317 6.655 470 H GLU 62 H GLU 62 27.216 -6.833 7.814 471 HA GLU 62 HA GLU 62 25.073 -6.443 5.828 472 1HB GLU 62 2HB GLU 62 25.429 -4.999 8.140 473 2HB GLU 62 1HB GLU 62 26.256 -4.005 6.949 474 1HG GLU 62 2HG GLU 62 24.111 -4.283 5.553 475 2HG GLU 62 1HG GLU 62 23.375 -4.797 7.070 476 H GLY 63 H GLY 63 25.642 -4.713 4.186 477 1HA GLY 63 2HA GLY 63 27.436 -3.528 3.040 478 2HA GLY 63 1HA GLY 63 28.517 -4.825 3.523 479 H GLY 64 H GLY 64 28.909 -6.395 2.096 480 1HA GLY 64 2HA GLY 64 27.004 -6.720 -0.140 481 2HA GLY 64 1HA GLY 64 28.740 -6.672 -0.403 482 H GLU 65 H GLU 65 26.693 -8.770 -0.950 483 HA GLU 65 HA GLU 65 28.114 -10.968 0.381 484 1HB GLU 65 2HB GLU 65 25.813 -10.462 1.396 485 2HB GLU 65 1HB GLU 65 25.146 -11.070 -0.113 486 1HG GLU 65 2HG GLU 65 26.909 -13.043 0.608 487 2HG GLU 65 1HG GLU 65 26.259 -12.507 2.157 488 H GLY 66 H GLY 66 28.525 -9.872 -2.222 489 1HA GLY 66 2HA GLY 66 28.978 -11.944 -3.832 490 2HA GLY 66 1HA GLY 66 27.253 -11.721 -4.077 491 H LEU 67 H LEU 67 30.330 -10.810 -5.070 492 HA LEU 67 HA LEU 67 29.525 -8.243 -6.166 493 1HB LEU 67 2HB LEU 67 32.066 -9.732 -5.851 494 2HB LEU 67 1HB LEU 67 31.961 -8.657 -7.232 495 HG LEU 67 HG LEU 67 33.008 -7.595 -5.265 496 1HD1 LEU 67 1HD1 LEU 67 32.204 -5.920 -6.557 497 2HD1 LEU 67 2HD1 LEU 67 31.144 -5.684 -5.167 498 3HD1 LEU 67 3HD1 LEU 67 30.566 -6.572 -6.578 499 1HD2 LEU 67 1HD2 LEU 67 32.027 -8.489 -3.376 500 2HD2 LEU 67 2HD2 LEU 67 30.393 -8.328 -4.020 501 3HD2 LEU 67 3HD2 LEU 67 31.266 -6.900 -3.465 502 H SER 68 H SER 68 31.250 -10.958 -7.691 503 HA SER 68 HA SER 68 29.826 -10.408 -10.179 504 1HB SER 68 2HB SER 68 31.987 -12.476 -9.849 505 2HB SER 68 1HB SER 68 31.535 -11.571 -11.293 506 HG SER 68 HG SER 68 33.437 -10.729 -10.421 507 H LYS 69 H LYS 69 28.638 -11.955 -11.305 508 HA LYS 69 HA LYS 69 28.275 -14.614 -10.337 509 1HB LYS 69 2HB LYS 69 25.898 -14.404 -9.728 510 2HB LYS 69 1HB LYS 69 26.935 -13.475 -8.656 511 1HG LYS 69 2HG LYS 69 25.661 -11.710 -9.040 512 2HG LYS 69 1HG LYS 69 26.216 -11.721 -10.715 513 1HD LYS 69 2HD LYS 69 24.365 -13.016 -11.419 514 2HD LYS 69 1HD LYS 69 23.919 -13.414 -9.758 515 1HE LYS 69 2HE LYS 69 23.845 -10.684 -9.729 516 2HE LYS 69 1HE LYS 69 23.296 -11.045 -11.365 517 1HZ LYS 69 1HZ LYS 69 21.384 -11.006 -10.026 518 2HZ LYS 69 2HZ LYS 69 22.099 -11.937 -8.808 519 3HZ LYS 69 3HZ LYS 69 21.700 -12.648 -10.290 520 H GLU 70 H GLU 70 27.912 -15.803 -12.081 521 HA GLU 70 HA GLU 70 25.946 -15.143 -14.032 522 1HB GLU 70 2HB GLU 70 27.445 -14.916 -15.965 523 2HB GLU 70 1HB GLU 70 27.680 -13.616 -14.806 524 1HG GLU 70 2HG GLU 70 29.646 -14.830 -13.915 525 2HG GLU 70 1HG GLU 70 29.436 -16.027 -15.192 526 HA PRO 71 HA PRO 71 26.367 -19.473 -14.795 527 1HB PRO 71 2HB PRO 71 25.461 -19.395 -17.497 528 2HB PRO 71 1HB PRO 71 24.499 -19.666 -16.045 529 1HG PRO 71 2HG PRO 71 24.319 -17.442 -17.698 530 2HG PRO 71 1HG PRO 71 23.730 -17.531 -16.031 531 1HD PRO 71 2HD PRO 71 26.255 -16.339 -17.092 532 2HD PRO 71 1HD PRO 71 25.211 -15.782 -15.766 533 H ALA 72 H ALA 72 28.866 -18.158 -15.248 534 HA ALA 72 HA ALA 72 30.886 -18.447 -16.257 535 1HB ALA 72 1HB ALA 72 30.275 -20.795 -15.488 536 2HB ALA 72 2HB ALA 72 31.516 -20.659 -16.735 537 3HB ALA 72 3HB ALA 72 29.872 -21.122 -17.174 538 H GLY 73 H GLY 73 31.054 -17.017 -17.903 539 1HA GLY 73 2HA GLY 73 29.608 -17.286 -20.359 540 2HA GLY 73 1HA GLY 73 30.885 -16.128 -20.026 541 H SER 74 H SER 74 30.239 -19.473 -20.948 542 HA SER 74 HA SER 74 32.947 -19.613 -22.099 543 1HB SER 74 2HB SER 74 32.071 -21.327 -20.312 544 2HB SER 74 1HB SER 74 31.237 -22.042 -21.691 545 HG SER 74 HG SER 74 33.200 -22.379 -22.683 546 H ASP 75 H ASP 75 29.655 -20.856 -22.705 547 HA ASP 75 HA ASP 75 30.105 -20.358 -25.572 548 1HB ASP 75 2HB ASP 75 29.998 -22.864 -24.531 549 2HB ASP 75 1HB ASP 75 28.294 -22.589 -24.882 550 H GLU 76 H GLU 76 27.735 -20.821 -26.652 551 HA GLU 76 HA GLU 76 26.009 -18.846 -25.347 552 1HB GLU 76 2HB GLU 76 26.454 -19.710 -28.157 553 2HB GLU 76 1HB GLU 76 24.842 -19.155 -27.732 554 1HG GLU 76 2HG GLU 76 26.951 -17.398 -26.765 555 2HG GLU 76 1HG GLU 76 26.934 -17.575 -28.519 556 H GLN 77 H GLN 77 25.227 -21.545 -27.521 557 HA GLN 77 HA GLN 77 23.254 -22.460 -25.530 558 1HB GLN 77 2HB GLN 77 22.659 -21.403 -27.984 559 2HB GLN 77 1HB GLN 77 22.695 -23.124 -28.340 560 1HG GLN 77 2HG GLN 77 20.496 -22.819 -27.785 561 2HG GLN 77 1HG GLN 77 21.178 -23.315 -26.236 562 1HE2 GLN 77 1HE2 GLN 77 21.628 -21.676 -24.669 563 2HE2 GLN 77 2HE2 GLN 77 20.730 -20.201 -24.672 564 H LYS 78 H LYS 78 25.438 -23.402 -28.144 565 HA LYS 78 HA LYS 78 26.555 -25.335 -28.575 566 1HB LYS 78 2HB LYS 78 25.789 -26.185 -25.780 567 2HB LYS 78 1HB LYS 78 27.137 -26.779 -26.743 568 1HG LYS 78 2HG LYS 78 28.394 -24.876 -26.405 569 2HG LYS 78 1HG LYS 78 26.981 -23.882 -26.047 570 1HD LYS 78 2HD LYS 78 27.332 -24.205 -23.876 571 2HD LYS 78 1HD LYS 78 27.062 -25.934 -24.105 572 1HE LYS 78 2HE LYS 78 29.728 -24.826 -24.813 573 2HE LYS 78 1HE LYS 78 29.325 -24.986 -23.104 574 1HZ LYS 78 1HZ LYS 78 29.340 -27.232 -23.215 575 2HZ LYS 78 2HZ LYS 78 30.416 -26.939 -24.488 576 3HZ LYS 78 3HZ LYS 78 28.793 -27.287 -24.816 577 H GLN 79 H GLN 79 23.908 -25.170 -29.422 578 HA GLN 79 HA GLN 79 23.292 -27.977 -29.705 579 1HB GLN 79 2HB GLN 79 21.705 -26.189 -27.983 580 2HB GLN 79 1HB GLN 79 20.765 -27.115 -29.143 581 1HG GLN 79 2HG GLN 79 21.179 -29.085 -28.120 582 2HG GLN 79 1HG GLN 79 22.794 -28.604 -27.602 583 1HE2 GLN 79 1HE2 GLN 79 22.422 -29.394 -25.523 584 2HE2 GLN 79 2HE2 GLN 79 21.415 -28.559 -24.395 585 H LEU 80 H LEU 80 20.929 -27.955 -30.935 586 HA LEU 80 HA LEU 80 20.085 -27.713 -33.042 587 1HB LEU 80 2HB LEU 80 19.230 -25.550 -33.524 588 2HB LEU 80 1HB LEU 80 19.163 -25.765 -31.785 589 HG LEU 80 HG LEU 80 21.568 -24.401 -32.862 590 1HD1 LEU 80 1HD1 LEU 80 20.186 -23.137 -34.176 591 2HD1 LEU 80 2HD1 LEU 80 20.096 -22.241 -32.659 592 3HD1 LEU 80 3HD1 LEU 80 18.797 -23.346 -33.109 593 1HD2 LEU 80 1HD2 LEU 80 20.557 -24.894 -30.372 594 2HD2 LEU 80 2HD2 LEU 80 20.022 -23.240 -30.667 595 3HD2 LEU 80 3HD2 LEU 80 21.737 -23.642 -30.760 596 H ARG 81 H ARG 81 20.413 -25.934 -35.080 597 HA ARG 81 HA ARG 81 23.256 -26.273 -35.781 598 1HB ARG 81 2HB ARG 81 21.340 -27.568 -37.028 599 2HB ARG 81 1HB ARG 81 21.110 -26.034 -37.855 600 1HG ARG 81 2HG ARG 81 23.897 -26.737 -37.812 601 2HG ARG 81 1HG ARG 81 22.933 -28.056 -38.479 602 1HD ARG 81 2HD ARG 81 21.818 -25.907 -39.711 603 2HD ARG 81 1HD ARG 81 23.495 -25.383 -39.562 604 HE ARG 81 HE ARG 81 23.729 -27.879 -40.560 605 1HH1 ARG 81 1HH1 ARG 81 21.856 -25.102 -41.538 606 2HH1 ARG 81 2HH1 ARG 81 21.878 -25.522 -43.218 607 1HH2 ARG 81 1HH2 ARG 81 23.758 -28.434 -42.768 608 2HH2 ARG 81 2HH2 ARG 81 22.957 -27.415 -43.916 609 H ALA 82 H ALA 82 23.856 -24.746 -37.684 610 HA ALA 82 HA ALA 82 22.547 -22.169 -37.619 611 1HB ALA 82 1HB ALA 82 25.429 -21.996 -36.960 612 2HB ALA 82 2HB ALA 82 24.334 -22.482 -35.665 613 3HB ALA 82 3HB ALA 82 24.091 -20.944 -36.493 614 H ASP 83 H ASP 83 23.259 -20.748 -39.273 615 HA ASP 83 HA ASP 83 24.846 -22.086 -41.362 616 1HB ASP 83 2HB ASP 83 22.282 -20.702 -41.432 617 2HB ASP 83 1HB ASP 83 23.416 -20.060 -42.616 618 HA PRO 84 HA PRO 84 27.907 -18.915 -40.887 619 1HB PRO 84 2HB PRO 84 28.360 -19.239 -43.797 620 2HB PRO 84 1HB PRO 84 29.494 -19.401 -42.455 621 1HG PRO 84 2HG PRO 84 28.574 -21.546 -43.765 622 2HG PRO 84 1HG PRO 84 28.880 -21.584 -42.019 623 1HD PRO 84 2HD PRO 84 26.287 -21.385 -43.487 624 2HD PRO 84 1HD PRO 84 26.673 -22.249 -41.986 625 HA PRO 85 HA PRO 85 26.261 -15.983 -44.493 626 1HB PRO 85 2HB PRO 85 23.619 -17.282 -44.896 627 2HB PRO 85 1HB PRO 85 24.700 -16.537 -46.079 628 1HG PRO 85 2HG PRO 85 24.461 -19.186 -45.926 629 2HG PRO 85 1HG PRO 85 26.029 -18.426 -46.253 630 1HD PRO 85 2HD PRO 85 24.994 -19.626 -43.720 631 2HD PRO 85 1HD PRO 85 26.629 -19.675 -44.409 632 H SER 86 H SER 86 23.958 -17.584 -42.320 633 HA SER 86 HA SER 86 22.774 -15.008 -41.622 634 1HB SER 86 2HB SER 86 22.000 -17.743 -40.589 635 2HB SER 86 1HB SER 86 21.049 -16.259 -40.514 636 HG SER 86 HG SER 86 20.316 -17.518 -42.219 637 H THR 87 H THR 87 22.283 -14.696 -39.233 638 HA THR 87 HA THR 87 23.830 -15.864 -37.216 639 HB THR 87 HB THR 87 25.744 -14.883 -38.362 640 HG1 THR 87 1HG THR 87 26.510 -13.603 -36.617 641 1HG2 THR 87 1HG2 THR 87 24.288 -12.926 -39.289 642 2HG2 THR 87 2HG2 THR 87 26.006 -12.693 -38.959 643 3HG2 THR 87 3HG2 THR 87 24.799 -12.119 -37.806 644 H ASP 88 H ASP 88 22.371 -12.884 -38.408 645 HA ASP 88 HA ASP 88 20.588 -12.729 -36.195 646 1HB ASP 88 2HB ASP 88 21.395 -10.471 -35.404 647 2HB ASP 88 1HB ASP 88 22.435 -11.827 -34.977 648 H LEU 89 H LEU 89 18.972 -11.131 -36.480 649 HA LEU 89 HA LEU 89 17.694 -9.586 -37.585 650 1HB LEU 89 2HB LEU 89 20.070 -8.673 -38.271 651 2HB LEU 89 1HB LEU 89 19.641 -9.341 -39.834 652 HG LEU 89 HG LEU 89 17.399 -7.909 -39.263 653 1HD1 LEU 89 1HD1 LEU 89 19.544 -6.026 -38.422 654 2HD1 LEU 89 2HD1 LEU 89 18.827 -7.094 -37.216 655 3HD1 LEU 89 3HD1 LEU 89 17.808 -5.971 -38.118 656 1HD2 LEU 89 1HD2 LEU 89 18.389 -7.744 -41.379 657 2HD2 LEU 89 2HD2 LEU 89 19.919 -7.170 -40.717 658 3HD2 LEU 89 3HD2 LEU 89 18.505 -6.117 -40.708 659 H ASN 90 H ASN 90 19.431 -11.783 -39.794 660 HA ASN 90 HA ASN 90 17.609 -11.984 -41.829 661 1HB ASN 90 2HB ASN 90 19.925 -13.277 -41.186 662 2HB ASN 90 1HB ASN 90 18.747 -14.576 -41.019 663 1HD2 ASN 90 1HD2 ASN 90 20.913 -13.730 -43.038 664 2HD2 ASN 90 2HD2 ASN 90 20.127 -13.936 -44.562 665 H THR 91 H THR 91 17.616 -13.880 -38.808 666 HA THR 91 HA THR 91 15.375 -15.454 -39.412 667 HB THR 91 HB THR 91 15.213 -15.674 -36.871 668 HG1 THR 91 1HG THR 91 16.609 -14.608 -35.662 669 1HG2 THR 91 1HG2 THR 91 16.431 -17.442 -37.460 670 2HG2 THR 91 2HG2 THR 91 17.810 -16.495 -36.901 671 3HG2 THR 91 3HG2 THR 91 17.390 -16.517 -38.614 672 H PHE 92 H PHE 92 15.479 -12.108 -38.752 673 HA PHE 92 HA PHE 92 12.625 -12.126 -38.042 674 1HB PHE 92 2HB PHE 92 14.481 -9.804 -37.540 675 2HB PHE 92 1HB PHE 92 12.920 -10.131 -36.809 676 HD1 PHE 92 1HD PHE 92 16.402 -11.401 -36.975 677 HD2 PHE 92 2HD PHE 92 12.761 -11.219 -34.779 678 HE1 PHE 92 1HE PHE 92 17.508 -12.475 -35.058 679 HE2 PHE 92 2HE PHE 92 13.858 -12.290 -32.860 680 HZ PHE 92 HZ PHE 92 16.237 -12.920 -32.995 681 H THR 93 H THR 93 11.290 -11.426 -39.578 682 HA THR 93 HA THR 93 12.366 -10.172 -41.952 683 HB THR 93 HB THR 93 9.555 -11.050 -41.270 684 HG1 THR 93 1HG THR 93 11.644 -12.236 -42.761 685 1HG2 THR 93 1HG2 THR 93 8.903 -10.723 -43.473 686 2HG2 THR 93 2HG2 THR 93 10.561 -10.521 -44.035 687 3HG2 THR 93 3HG2 THR 93 9.794 -9.254 -43.079 688 H VAL 94 H VAL 94 9.148 -9.225 -40.976 689 HA VAL 94 HA VAL 94 10.086 -6.580 -40.163 690 HB VAL 94 HB VAL 94 8.048 -6.952 -42.360 691 1HG1 VAL 94 1HG1 VAL 94 8.731 -4.727 -40.643 692 2HG1 VAL 94 2HG1 VAL 94 7.399 -4.903 -41.786 693 3HG1 VAL 94 3HG1 VAL 94 8.971 -4.331 -42.344 694 1HG2 VAL 94 1HG2 VAL 94 10.975 -6.533 -42.402 695 2HG2 VAL 94 2HG2 VAL 94 10.019 -5.579 -43.537 696 3HG2 VAL 94 3HG2 VAL 94 9.925 -7.339 -43.568 697 H GLU 95 H GLU 95 7.107 -8.386 -40.908 698 HA GLU 95 HA GLU 95 5.570 -7.034 -38.919 699 1HB GLU 95 2HB GLU 95 3.819 -8.647 -39.466 700 2HB GLU 95 1HB GLU 95 4.541 -7.998 -40.931 701 1HG GLU 95 2HG GLU 95 5.697 -10.505 -39.881 702 2HG GLU 95 1HG GLU 95 4.071 -10.596 -40.555 703 H GLN 96 H GLN 96 7.722 -9.681 -38.883 704 HA GLN 96 HA GLN 96 6.639 -10.957 -36.534 705 1HB GLN 96 2HB GLN 96 8.299 -11.783 -38.577 706 2HB GLN 96 1HB GLN 96 9.425 -11.562 -37.245 707 1HG GLN 96 2HG GLN 96 7.507 -12.932 -35.975 708 2HG GLN 96 1HG GLN 96 7.276 -13.551 -37.610 709 1HE2 GLN 96 1HE2 GLN 96 9.890 -13.493 -38.517 710 2HE2 GLN 96 2HE2 GLN 96 10.817 -14.656 -37.639 711 H LEU 97 H LEU 97 8.774 -8.417 -37.301 712 HA LEU 97 HA LEU 97 10.310 -8.477 -34.901 713 1HB LEU 97 2HB LEU 97 9.845 -6.208 -36.838 714 2HB LEU 97 1HB LEU 97 11.065 -6.256 -35.602 715 HG LEU 97 HG LEU 97 12.438 -7.665 -36.808 716 1HD1 LEU 97 1HD1 LEU 97 10.100 -8.493 -38.521 717 2HD1 LEU 97 2HD1 LEU 97 10.784 -9.449 -37.207 718 3HD1 LEU 97 3HD1 LEU 97 11.748 -9.092 -38.636 719 1HD2 LEU 97 1HD2 LEU 97 12.152 -5.496 -37.894 720 2HD2 LEU 97 2HD2 LEU 97 10.889 -6.174 -38.904 721 3HD2 LEU 97 3HD2 LEU 97 12.541 -6.764 -39.054 722 H LYS 98 H LYS 98 7.872 -6.272 -36.173 723 HA LYS 98 HA LYS 98 7.422 -4.820 -33.832 724 1HB LYS 98 2HB LYS 98 5.268 -4.177 -34.873 725 2HB LYS 98 1HB LYS 98 6.628 -4.033 -35.976 726 1HG LYS 98 2HG LYS 98 5.920 -6.434 -36.710 727 2HG LYS 98 1HG LYS 98 4.372 -5.976 -35.996 728 1HD LYS 98 2HD LYS 98 4.442 -5.492 -38.401 729 2HD LYS 98 1HD LYS 98 4.265 -4.020 -37.445 730 1HE LYS 98 2HE LYS 98 6.229 -3.195 -38.139 731 2HE LYS 98 1HE LYS 98 7.047 -4.750 -37.972 732 1HZ LYS 98 1HZ LYS 98 6.437 -5.384 -40.102 733 2HZ LYS 98 2HZ LYS 98 6.796 -3.743 -40.297 734 3HZ LYS 98 3HZ LYS 98 5.185 -4.250 -40.208 735 H ALA 99 H ALA 99 6.290 -7.975 -34.785 736 HA ALA 99 HA ALA 99 4.238 -8.046 -32.757 737 1HB ALA 99 1HB ALA 99 4.360 -10.594 -33.557 738 2HB ALA 99 2HB ALA 99 5.098 -9.812 -34.953 739 3HB ALA 99 3HB ALA 99 3.475 -9.351 -34.439 740 H GLN 100 H GLN 100 7.526 -8.834 -33.019 741 HA GLN 100 HA GLN 100 7.521 -10.637 -30.748 742 1HB GLN 100 2HB GLN 100 9.411 -9.892 -32.849 743 2HB GLN 100 1HB GLN 100 10.166 -10.040 -31.268 744 1HG GLN 100 2HG GLN 100 9.603 -12.289 -31.074 745 2HG GLN 100 1HG GLN 100 8.365 -12.182 -32.325 746 1HE2 GLN 100 1HE2 GLN 100 10.797 -13.900 -31.951 747 2HE2 GLN 100 2HE2 GLN 100 11.660 -13.759 -33.441 748 H LEU 101 H LEU 101 8.475 -7.334 -31.513 749 HA LEU 101 HA LEU 101 9.768 -6.756 -29.078 750 1HB LEU 101 2HB LEU 101 8.447 -5.057 -31.173 751 2HB LEU 101 1HB LEU 101 9.092 -4.340 -29.709 752 HG LEU 101 HG LEU 101 10.650 -5.868 -31.794 753 1HD1 LEU 101 1HD1 LEU 101 9.923 -3.511 -32.309 754 2HD1 LEU 101 2HD1 LEU 101 11.662 -3.800 -32.339 755 3HD1 LEU 101 3HD1 LEU 101 10.927 -2.993 -30.954 756 1HD2 LEU 101 1HD2 LEU 101 11.284 -5.090 -29.018 757 2HD2 LEU 101 2HD2 LEU 101 12.525 -4.761 -30.226 758 3HD2 LEU 101 3HD2 LEU 101 11.923 -6.403 -30.005 759 H THR 102 H THR 102 6.398 -6.406 -30.115 760 HA THR 102 HA THR 102 5.479 -5.144 -27.750 761 HB THR 102 HB THR 102 3.281 -5.557 -28.533 762 HG1 THR 102 1HG THR 102 4.383 -7.635 -30.116 763 1HG2 THR 102 1HG2 THR 102 3.731 -4.129 -30.170 764 2HG2 THR 102 2HG2 THR 102 3.758 -5.554 -31.207 765 3HG2 THR 102 3HG2 THR 102 5.263 -4.907 -30.557 766 H GLU 103 H GLU 103 5.723 -8.499 -28.789 767 HA GLU 103 HA GLU 103 4.479 -9.525 -26.452 768 1HB GLU 103 2HB GLU 103 5.035 -10.565 -28.910 769 2HB GLU 103 1HB GLU 103 6.258 -11.346 -27.919 770 1HG GLU 103 2HG GLU 103 3.522 -11.358 -26.831 771 2HG GLU 103 1HG GLU 103 3.784 -12.315 -28.288 772 H ARG 104 H ARG 104 7.432 -8.150 -26.923 773 HA ARG 104 HA ARG 104 8.725 -9.741 -24.818 774 1HB ARG 104 2HB ARG 104 9.776 -8.046 -27.049 775 2HB ARG 104 1HB ARG 104 10.759 -8.280 -25.611 776 1HG ARG 104 2HG ARG 104 10.249 -10.808 -26.031 777 2HG ARG 104 1HG ARG 104 9.919 -10.255 -27.675 778 1HD ARG 104 2HD ARG 104 12.115 -9.428 -27.940 779 2HD ARG 104 1HD ARG 104 12.452 -9.557 -26.215 780 HE ARG 104 HE ARG 104 11.846 -12.071 -27.468 781 1HH1 ARG 104 1HH1 ARG 104 14.368 -9.774 -26.738 782 2HH1 ARG 104 2HH1 ARG 104 15.637 -10.949 -26.830 783 1HH2 ARG 104 1HH2 ARG 104 13.513 -13.618 -27.590 784 2HH2 ARG 104 2HH2 ARG 104 15.152 -13.130 -27.315 785 H GLY 105 H GLY 105 7.187 -6.761 -25.407 786 1HA GLY 105 2HA GLY 105 6.608 -5.209 -23.750 787 2HA GLY 105 1HA GLY 105 7.865 -5.873 -22.719 788 H ILE 106 H ILE 106 8.121 -4.671 -26.044 789 HA ILE 106 HA ILE 106 9.846 -2.500 -25.048 790 HB ILE 106 HB ILE 106 10.358 -4.060 -27.579 791 1HG1 ILE 106 2HG1 ILE 106 10.700 -5.436 -25.532 792 2HG1 ILE 106 1HG1 ILE 106 12.189 -5.145 -26.425 793 1HG2 ILE 106 1HG2 ILE 106 11.628 -1.726 -26.254 794 2HG2 ILE 106 2HG2 ILE 106 11.386 -2.063 -27.968 795 3HG2 ILE 106 3HG2 ILE 106 12.673 -2.880 -27.082 796 1HD1 ILE 106 1HD1 ILE 106 12.795 -4.849 -24.207 797 2HD1 ILE 106 2HD1 ILE 106 11.307 -3.990 -23.813 798 3HD1 ILE 106 3HD1 ILE 106 12.548 -3.203 -24.788 799 H THR 107 H THR 107 8.244 -0.930 -25.286 800 HA THR 107 HA THR 107 6.541 -0.616 -27.472 801 HB THR 107 HB THR 107 6.713 1.912 -26.713 802 HG1 THR 107 1HG THR 107 7.773 2.248 -24.911 803 1HG2 THR 107 1HG2 THR 107 4.826 0.358 -26.229 804 2HG2 THR 107 2HG2 THR 107 5.137 1.559 -24.975 805 3HG2 THR 107 3HG2 THR 107 5.668 -0.108 -24.752 806 H PHE 108 H PHE 108 6.607 0.792 -29.275 807 HA PHE 108 HA PHE 108 9.109 2.061 -29.986 808 1HB PHE 108 2HB PHE 108 9.245 0.839 -32.169 809 2HB PHE 108 1HB PHE 108 9.594 -0.160 -30.763 810 HD1 PHE 108 2HD PHE 108 7.453 -1.383 -29.769 811 HD2 PHE 108 1HD PHE 108 7.867 -0.027 -33.781 812 HE1 PHE 108 2HE PHE 108 5.738 -2.995 -30.485 813 HE2 PHE 108 1HE PHE 108 6.152 -1.636 -34.505 814 HZ PHE 108 HZ PHE 108 5.085 -3.123 -32.856 815 H LYS 109 H LYS 109 6.484 3.029 -29.471 816 HA LYS 109 HA LYS 109 4.969 3.489 -31.788 817 1HB LYS 109 2HB LYS 109 5.215 5.324 -29.399 818 2HB LYS 109 1HB LYS 109 3.880 5.254 -30.541 819 1HG LYS 109 2HG LYS 109 4.176 2.655 -29.514 820 2HG LYS 109 1HG LYS 109 4.293 3.756 -28.141 821 1HD LYS 109 2HD LYS 109 2.041 3.633 -28.184 822 2HD LYS 109 1HD LYS 109 2.200 4.840 -29.462 823 1HE LYS 109 2HE LYS 109 2.484 2.599 -30.913 824 2HE LYS 109 1HE LYS 109 1.454 1.984 -29.621 825 1HZ LYS 109 1HZ LYS 109 -0.163 2.767 -30.950 826 2HZ LYS 109 2HZ LYS 109 0.844 3.877 -31.736 827 3HZ LYS 109 3HZ LYS 109 0.199 4.250 -30.217 828 H GLN 110 H GLN 110 7.544 5.403 -30.276 829 HA GLN 110 HA GLN 110 7.931 6.766 -32.846 830 1HB GLN 110 2HB GLN 110 6.698 8.094 -30.910 831 2HB GLN 110 1HB GLN 110 8.343 8.322 -30.333 832 1HG GLN 110 2HG GLN 110 8.955 9.582 -32.170 833 2HG GLN 110 1HG GLN 110 7.655 8.939 -33.171 834 1HE2 GLN 110 1HE2 GLN 110 6.003 10.234 -33.499 835 2HE2 GLN 110 2HE2 GLN 110 5.530 11.560 -32.498 836 H SER 111 H SER 111 9.295 4.554 -31.355 837 HA SER 111 HA SER 111 11.961 5.791 -31.142 838 1HB SER 111 2HB SER 111 10.708 4.492 -29.129 839 2HB SER 111 1HB SER 111 11.529 3.136 -29.899 840 HG SER 111 HG SER 111 13.354 3.847 -29.148 841 H ALA 112 H ALA 112 10.072 3.120 -32.411 842 HA ALA 112 HA ALA 112 12.249 2.553 -34.286 843 1HB ALA 112 1HB ALA 112 10.798 0.175 -33.320 844 2HB ALA 112 2HB ALA 112 11.916 0.918 -32.177 845 3HB ALA 112 3HB ALA 112 12.497 0.374 -33.751 846 H THR 113 H THR 113 11.489 2.719 -36.281 847 HA THR 113 HA THR 113 8.625 2.488 -36.759 848 HB THR 113 HB THR 113 9.105 3.480 -38.938 849 HG1 THR 113 1HG THR 113 11.824 3.419 -38.137 850 1HG2 THR 113 1HG2 THR 113 10.754 5.389 -37.746 851 2HG2 THR 113 2HG2 THR 113 9.735 4.749 -36.455 852 3HG2 THR 113 3HG2 THR 113 8.998 5.426 -37.908 853 H LYS 114 H LYS 114 11.402 1.511 -38.775 854 HA LYS 114 HA LYS 114 10.362 -1.194 -38.863 855 1HB LYS 114 2HB LYS 114 10.599 -1.151 -41.417 856 2HB LYS 114 1HB LYS 114 9.171 -0.407 -40.713 857 1HG LYS 114 2HG LYS 114 11.022 1.655 -40.835 858 2HG LYS 114 1HG LYS 114 11.257 0.760 -42.337 859 1HD LYS 114 2HD LYS 114 9.047 1.099 -43.022 860 2HD LYS 114 1HD LYS 114 8.512 1.520 -41.394 861 1HE LYS 114 2HE LYS 114 8.666 3.639 -42.107 862 2HE LYS 114 1HE LYS 114 10.400 3.429 -41.871 863 1HZ LYS 114 1HZ LYS 114 9.317 2.559 -44.430 864 2HZ LYS 114 2HZ LYS 114 10.780 3.335 -44.080 865 3HZ LYS 114 3HZ LYS 114 9.346 4.229 -44.157 866 H ALA 115 H ALA 115 12.897 1.033 -39.871 867 HA ALA 115 HA ALA 115 14.724 -1.151 -40.357 868 1HB ALA 115 1HB ALA 115 14.887 1.822 -40.568 869 2HB ALA 115 2HB ALA 115 15.196 0.590 -41.793 870 3HB ALA 115 3HB ALA 115 16.373 0.873 -40.510 871 H GLU 116 H GLU 116 13.814 0.911 -37.758 872 HA GLU 116 HA GLU 116 16.221 0.389 -36.226 873 1HB GLU 116 2HB GLU 116 13.738 1.643 -35.105 874 2HB GLU 116 1HB GLU 116 15.411 1.899 -34.635 875 1HG GLU 116 2HG GLU 116 14.284 2.762 -37.284 876 2HG GLU 116 1HG GLU 116 14.338 3.796 -35.858 877 H LEU 117 H LEU 117 12.839 -0.640 -36.257 878 HA LEU 117 HA LEU 117 13.141 -2.187 -33.856 879 1HB LEU 117 2HB LEU 117 10.907 -2.545 -33.923 880 2HB LEU 117 1HB LEU 117 10.985 -1.120 -34.916 881 HG LEU 117 HG LEU 117 10.377 -3.939 -35.707 882 1HD1 LEU 117 1HD1 LEU 117 8.599 -2.646 -36.965 883 2HD1 LEU 117 2HD1 LEU 117 9.141 -1.224 -36.075 884 3HD1 LEU 117 3HD1 LEU 117 8.495 -2.613 -35.207 885 1HD2 LEU 117 1HD2 LEU 117 11.811 -3.655 -37.439 886 2HD2 LEU 117 2HD2 LEU 117 11.761 -1.896 -37.346 887 3HD2 LEU 117 3HD2 LEU 117 10.430 -2.783 -38.092 888 H ILE 118 H ILE 118 13.839 -2.730 -37.153 889 HA ILE 118 HA ILE 118 13.713 -5.607 -36.893 890 HB ILE 118 HB ILE 118 13.321 -4.810 -39.115 891 1HG1 ILE 118 2HG1 ILE 118 14.792 -6.138 -40.381 892 2HG1 ILE 118 1HG1 ILE 118 16.156 -5.787 -39.329 893 1HG2 ILE 118 1HG2 ILE 118 14.640 -3.373 -40.377 894 2HG2 ILE 118 2HG2 ILE 118 16.027 -3.550 -39.310 895 3HG2 ILE 118 3HG2 ILE 118 14.611 -2.642 -38.777 896 1HD1 ILE 118 1HD1 ILE 118 14.082 -7.148 -37.873 897 2HD1 ILE 118 2HD1 ILE 118 15.764 -7.601 -38.128 898 3HD1 ILE 118 3HD1 ILE 118 14.541 -8.050 -39.315 899 H ALA 119 H ALA 119 16.069 -3.030 -36.637 900 HA ALA 119 HA ALA 119 18.315 -4.844 -36.371 901 1HB ALA 119 1HB ALA 119 19.409 -2.499 -35.779 902 2HB ALA 119 2HB ALA 119 17.971 -1.908 -36.613 903 3HB ALA 119 3HB ALA 119 19.088 -2.993 -37.442 904 H LEU 120 H LEU 120 16.144 -3.014 -34.356 905 HA LEU 120 HA LEU 120 17.534 -2.700 -32.020 906 1HB LEU 120 2HB LEU 120 15.132 -2.046 -32.546 907 2HB LEU 120 1HB LEU 120 14.687 -3.674 -32.072 908 HG LEU 120 HG LEU 120 15.634 -3.252 -29.824 909 1HD1 LEU 120 1HD1 LEU 120 17.205 -1.634 -29.824 910 2HD1 LEU 120 2HD1 LEU 120 15.820 -0.594 -29.491 911 3HD1 LEU 120 3HD1 LEU 120 16.439 -0.739 -31.137 912 1HD2 LEU 120 1HD2 LEU 120 13.577 -1.230 -30.703 913 2HD2 LEU 120 2HD2 LEU 120 13.854 -1.784 -29.053 914 3HD2 LEU 120 3HD2 LEU 120 13.248 -2.907 -30.271 915 H PHE 121 H PHE 121 15.879 -5.630 -33.135 916 HA PHE 121 HA PHE 121 16.061 -7.261 -30.958 917 1HB PHE 121 2HB PHE 121 16.437 -7.863 -33.878 918 2HB PHE 121 1HB PHE 121 16.510 -9.139 -32.668 919 HD1 PHE 121 1HD PHE 121 14.377 -8.138 -30.803 920 HD2 PHE 121 2HD PHE 121 14.521 -8.427 -35.046 921 HE1 PHE 121 1HE PHE 121 11.928 -8.315 -30.868 922 HE2 PHE 121 2HE PHE 121 12.076 -8.603 -35.119 923 HZ PHE 121 HZ PHE 121 10.772 -8.546 -33.028 924 H ALA 122 H ALA 122 17.843 -6.844 -29.688 925 HA ALA 122 HA ALA 122 20.425 -7.793 -30.749 926 1HB ALA 122 1HB ALA 122 20.429 -6.120 -28.317 927 2HB ALA 122 2HB ALA 122 19.970 -5.315 -29.817 928 3HB ALA 122 3HB ALA 122 21.531 -6.127 -29.695 929 HA PRO 123 HA PRO 123 20.470 -11.045 -27.778 930 1HB PRO 123 2HB PRO 123 23.104 -11.091 -27.044 931 2HB PRO 123 1HB PRO 123 22.503 -11.734 -28.576 932 1HG PRO 123 2HG PRO 123 23.789 -9.094 -28.003 933 2HG PRO 123 1HG PRO 123 24.050 -10.193 -29.370 934 1HD PRO 123 2HD PRO 123 22.512 -7.991 -29.583 935 2HD PRO 123 1HD PRO 123 22.140 -9.486 -30.466 936 H ALA 124 H ALA 124 21.522 -11.543 -25.497 937 HA ALA 124 HA ALA 124 20.354 -9.804 -23.652 938 1HB ALA 124 1HB ALA 124 20.624 -11.953 -22.856 939 2HB ALA 124 2HB ALA 124 21.906 -11.090 -22.005 940 3HB ALA 124 3HB ALA 124 22.291 -12.066 -23.421 941 H ASP 125 H ASP 125 20.948 -7.777 -23.265 942 HA ASP 125 HA ASP 125 23.825 -7.152 -23.151 943 1HB ASP 125 2HB ASP 125 21.512 -5.303 -23.780 944 2HB ASP 125 1HB ASP 125 23.208 -4.831 -23.704 945 H GLY 126 H GLY 126 24.052 -4.945 -21.806 946 1HA GLY 126 2HA GLY 126 22.862 -3.899 -19.803 947 2HA GLY 126 1HA GLY 126 22.827 -5.545 -19.191 948 H GLU 127 H GLU 127 23.952 -4.260 -17.406 949 HA GLU 127 HA GLU 127 26.857 -4.377 -17.883 950 1HB GLU 127 2HB GLU 127 25.205 -2.253 -16.627 951 2HB GLU 127 1HB GLU 127 26.752 -2.608 -15.870 952 1HG GLU 127 2HG GLU 127 27.860 -2.238 -18.044 953 2HG GLU 127 1HG GLU 127 26.299 -1.785 -18.728 954 H LYS 128 H LYS 128 26.178 -6.658 -17.134 955 HA LYS 128 HA LYS 128 26.312 -8.292 -15.557 956 1HB LYS 128 2HB LYS 128 27.814 -6.038 -14.293 957 2HB LYS 128 1HB LYS 128 27.468 -7.471 -13.335 958 1HG LYS 128 2HG LYS 128 28.841 -8.811 -14.590 959 2HG LYS 128 1HG LYS 128 28.691 -7.801 -16.030 960 1HD LYS 128 2HD LYS 128 30.127 -6.132 -15.085 961 2HD LYS 128 1HD LYS 128 30.140 -6.956 -13.524 962 1HE LYS 128 2HE LYS 128 31.082 -8.952 -14.932 963 2HE LYS 128 1HE LYS 128 31.521 -7.678 -16.071 964 1HZ LYS 128 1HZ LYS 128 32.326 -7.777 -13.213 965 2HZ LYS 128 2HZ LYS 128 32.771 -6.586 -14.327 966 3HZ LYS 128 3HZ LYS 128 33.319 -8.173 -14.524 967 H SER 129 H SER 129 25.440 -9.033 -13.484 968 HA SER 129 HA SER 129 23.809 -9.186 -11.908 969 1HB SER 129 2HB SER 129 24.492 -6.333 -11.923 970 2HB SER 129 1HB SER 129 22.850 -6.660 -11.368 971 HG SER 129 HG SER 129 24.623 -6.716 -9.755 972 H GLU 130 H GLU 130 22.662 -6.315 -13.670 973 HA GLU 130 HA GLU 130 20.774 -5.917 -14.873 974 1HB GLU 130 2HB GLU 130 21.690 -8.441 -15.717 975 2HB GLU 130 1HB GLU 130 19.954 -8.612 -15.499 976 1HG GLU 130 2HG GLU 130 20.137 -6.236 -16.835 977 2HG GLU 130 1HG GLU 130 21.460 -7.167 -17.535 978 H ALA 131 H ALA 131 19.363 -5.170 -13.377 979 HA ALA 131 HA ALA 131 17.827 -7.111 -11.803 980 1HB ALA 131 1HB ALA 131 18.621 -4.292 -11.411 981 2HB ALA 131 2HB ALA 131 18.478 -5.606 -10.243 982 3HB ALA 131 3HB ALA 131 17.034 -4.758 -10.798 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 14.622 -0.275 23.360 2 2H GLY 1 2HT GLY 1 14.408 -1.792 24.075 3 3H GLY 1 3HT GLY 1 13.780 -1.488 22.534 4 1HA GLY 1 1HA GLY 1 16.481 -2.172 23.341 5 2HA GLY 1 2HA GLY 1 15.628 -2.546 21.851 6 H SER 2 H SER 2 17.378 -0.029 23.590 7 HA SER 2 HA SER 2 18.103 1.141 20.990 8 1HB SER 2 2HB SER 2 16.405 2.446 22.555 9 2HB SER 2 1HB SER 2 17.890 2.926 23.377 10 HG SER 2 HG SER 2 18.625 3.522 21.172 11 H HIS 3 H HIS 3 20.108 0.180 20.923 12 HA HIS 3 HA HIS 3 21.984 0.976 23.054 13 1HB HIS 3 2HB HIS 3 21.726 -1.586 21.518 14 2HB HIS 3 1HB HIS 3 23.299 -1.096 22.139 15 HD1 HIS 3 1HD HIS 3 22.147 0.112 24.847 16 HD2 HIS 3 2HD HIS 3 21.362 -3.666 23.304 17 HE1 HIS 3 1HE HIS 3 21.477 -1.296 26.821 18 HE2 HIS 3 2HE HIS 3 21.091 -3.598 25.875 19 H MET 4 H MET 4 21.572 0.380 19.594 20 HA MET 4 HA MET 4 23.395 2.511 18.963 21 1HB MET 4 2HB MET 4 24.697 0.232 19.357 22 2HB MET 4 1HB MET 4 24.165 -0.084 17.711 23 1HG MET 4 2HG MET 4 25.238 2.555 17.850 24 2HG MET 4 1HG MET 4 26.380 1.427 18.578 25 1HE MET 4 1HE MET 4 27.078 -0.952 17.172 26 2HE MET 4 2HE MET 4 28.138 0.451 17.316 27 3HE MET 4 3HE MET 4 27.963 -0.368 15.764 28 H ASP 5 H ASP 5 21.611 -0.298 17.733 29 HA ASP 5 HA ASP 5 21.200 0.965 15.161 30 1HB ASP 5 2HB ASP 5 19.849 -1.094 14.683 31 2HB ASP 5 1HB ASP 5 21.518 -1.414 15.142 32 H LYS 6 H LYS 6 19.157 1.501 14.286 33 HA LYS 6 HA LYS 6 16.726 1.407 15.682 34 1HB LYS 6 2HB LYS 6 18.068 3.088 17.080 35 2HB LYS 6 1HB LYS 6 17.907 4.179 15.710 36 1HG LYS 6 2HG LYS 6 15.450 3.978 15.888 37 2HG LYS 6 1HG LYS 6 15.669 2.987 17.331 38 1HD LYS 6 2HD LYS 6 16.985 4.918 18.300 39 2HD LYS 6 1HD LYS 6 16.405 5.880 16.938 40 1HE LYS 6 2HE LYS 6 14.540 4.383 18.759 41 2HE LYS 6 1HE LYS 6 15.085 6.023 19.114 42 1HZ LYS 6 1HZ LYS 6 14.027 5.573 16.444 43 2HZ LYS 6 2HZ LYS 6 13.818 6.890 17.485 44 3HZ LYS 6 3HZ LYS 6 12.904 5.486 17.708 45 H THR 7 H THR 7 17.656 0.942 13.071 46 HA THR 7 HA THR 7 15.742 2.495 11.580 47 HB THR 7 HB THR 7 18.083 2.669 9.988 48 HG1 THR 7 1HG THR 7 18.446 3.917 12.500 49 1HG2 THR 7 1HG2 THR 7 15.952 4.193 10.353 50 2HG2 THR 7 2HG2 THR 7 17.459 4.813 9.675 51 3HG2 THR 7 3HG2 THR 7 17.085 5.072 11.379 52 H PHE 8 H PHE 8 14.987 1.381 9.807 53 HA PHE 8 HA PHE 8 16.508 -0.925 8.868 54 1HB PHE 8 2HB PHE 8 14.389 -2.324 8.959 55 2HB PHE 8 1HB PHE 8 15.221 -2.039 10.482 56 HD1 PHE 8 1HD PHE 8 13.356 0.797 9.227 57 HD2 PHE 8 2HD PHE 8 13.069 -2.809 11.477 58 HE1 PHE 8 1HE PHE 8 11.251 1.580 10.211 59 HE2 PHE 8 2HE PHE 8 10.960 -2.026 12.466 60 HZ PHE 8 HZ PHE 8 10.048 0.168 11.834 61 H CYS 9 H CYS 9 16.062 -1.624 6.824 62 HA CYS 9 HA CYS 9 14.480 0.220 5.194 63 1HB CYS 9 2HB CYS 9 15.575 -0.969 3.276 64 2HB CYS 9 1HB CYS 9 16.720 -0.197 4.367 65 HG CYS 9 HG CYS 9 16.226 -3.268 4.464 66 H VAL 10 H VAL 10 12.563 -0.422 4.274 67 HA VAL 10 HA VAL 10 11.751 -3.200 4.807 68 HB VAL 10 HB VAL 10 10.441 -0.865 5.512 69 1HG1 VAL 10 1HG1 VAL 10 8.436 -0.688 4.265 70 2HG1 VAL 10 2HG1 VAL 10 8.791 -2.156 3.352 71 3HG1 VAL 10 3HG1 VAL 10 9.741 -0.698 3.080 72 1HG2 VAL 10 1HG2 VAL 10 8.828 -3.323 5.235 73 2HG2 VAL 10 2HG2 VAL 10 9.073 -2.280 6.634 74 3HG2 VAL 10 3HG2 VAL 10 10.317 -3.437 6.169 75 H VAL 11 H VAL 11 10.650 -4.376 3.297 76 HA VAL 11 HA VAL 11 10.485 -3.293 0.596 77 HB VAL 11 HB VAL 11 12.556 -4.368 0.501 78 1HG1 VAL 11 1HG1 VAL 11 12.626 -5.543 2.530 79 2HG1 VAL 11 2HG1 VAL 11 12.859 -6.742 1.258 80 3HG1 VAL 11 3HG1 VAL 11 11.293 -6.596 2.057 81 1HG2 VAL 11 1HG2 VAL 11 10.591 -6.432 -0.486 82 2HG2 VAL 11 2HG2 VAL 11 12.238 -6.178 -1.063 83 3HG2 VAL 11 3HG2 VAL 11 11.005 -4.949 -1.345 84 H VAL 12 H VAL 12 8.354 -3.310 0.434 85 HA VAL 12 HA VAL 12 6.798 -5.592 1.349 86 HB VAL 12 HB VAL 12 6.000 -2.903 0.231 87 1HG1 VAL 12 1HG1 VAL 12 4.356 -4.569 -0.421 88 2HG1 VAL 12 2HG1 VAL 12 3.702 -3.504 0.823 89 3HG1 VAL 12 3HG1 VAL 12 4.243 -5.126 1.248 90 1HG2 VAL 12 1HG2 VAL 12 6.481 -2.315 2.341 91 2HG2 VAL 12 2HG2 VAL 12 6.479 -3.983 2.912 92 3HG2 VAL 12 3HG2 VAL 12 4.958 -3.108 2.741 93 H GLN 13 H GLN 13 5.789 -7.014 0.059 94 HA GLN 13 HA GLN 13 6.077 -6.669 -2.854 95 1HB GLN 13 2HB GLN 13 7.303 -8.602 -1.415 96 2HB GLN 13 1HB GLN 13 5.784 -9.410 -1.776 97 1HG GLN 13 2HG GLN 13 7.154 -8.076 -4.029 98 2HG GLN 13 1HG GLN 13 7.913 -9.525 -3.372 99 1HE2 GLN 13 1HE2 GLN 13 5.380 -8.262 -5.276 100 2HE2 GLN 13 2HE2 GLN 13 4.627 -9.762 -5.686 101 H ASN 14 H ASN 14 4.161 -6.227 -3.718 102 HA ASN 14 HA ASN 14 1.737 -7.279 -2.464 103 1HB ASN 14 2HB ASN 14 1.477 -5.524 -4.828 104 2HB ASN 14 1HB ASN 14 0.612 -5.488 -3.297 105 1HD2 ASN 14 1HD2 ASN 14 3.550 -4.567 -4.947 106 2HD2 ASN 14 2HD2 ASN 14 3.991 -3.299 -3.864 107 H ARG 15 H ARG 15 0.295 -8.589 -3.479 108 HA ARG 15 HA ARG 15 0.837 -9.415 -6.228 109 1HB ARG 15 2HB ARG 15 0.422 -11.827 -5.467 110 2HB ARG 15 1HB ARG 15 1.996 -11.128 -5.111 111 1HG ARG 15 2HG ARG 15 1.618 -11.065 -2.864 112 2HG ARG 15 1HG ARG 15 -0.129 -10.903 -3.049 113 1HD ARG 15 2HD ARG 15 -0.392 -13.093 -2.789 114 2HD ARG 15 1HD ARG 15 0.701 -13.413 -4.135 115 HE ARG 15 HE ARG 15 2.364 -12.865 -2.056 116 1HH1 ARG 15 1HH1 ARG 15 -0.255 -15.118 -2.542 117 2HH1 ARG 15 2HH1 ARG 15 0.401 -16.306 -1.466 118 1HH2 ARG 15 1HH2 ARG 15 3.231 -14.426 -0.643 119 2HH2 ARG 15 2HH2 ARG 15 2.380 -15.913 -0.388 120 H ILE 16 H ILE 16 -1.205 -7.774 -4.975 121 HA ILE 16 HA ILE 16 -3.595 -9.456 -5.158 122 HB ILE 16 HB ILE 16 -3.417 -6.566 -4.289 123 1HG1 ILE 16 2HG1 ILE 16 -4.041 -8.256 -2.113 124 2HG1 ILE 16 1HG1 ILE 16 -2.650 -8.976 -2.916 125 1HG2 ILE 16 1HG2 ILE 16 -5.633 -6.689 -3.687 126 2HG2 ILE 16 2HG2 ILE 16 -5.619 -8.449 -3.579 127 3HG2 ILE 16 3HG2 ILE 16 -5.614 -7.662 -5.157 128 1HD1 ILE 16 1HD1 ILE 16 -2.833 -6.133 -1.950 129 2HD1 ILE 16 2HD1 ILE 16 -1.432 -6.887 -2.710 130 3HD1 ILE 16 3HD1 ILE 16 -1.990 -7.451 -1.135 131 H LYS 17 H LYS 17 -2.575 -6.217 -6.292 132 HA LYS 17 HA LYS 17 -3.454 -6.785 -8.958 133 1HB LYS 17 2HB LYS 17 -4.874 -4.381 -8.095 134 2HB LYS 17 1HB LYS 17 -5.449 -5.741 -9.045 135 1HG LYS 17 2HG LYS 17 -5.925 -6.995 -7.039 136 2HG LYS 17 1HG LYS 17 -5.231 -5.716 -6.042 137 1HD LYS 17 2HD LYS 17 -7.244 -4.777 -5.938 138 2HD LYS 17 1HD LYS 17 -7.149 -4.473 -7.674 139 1HE LYS 17 2HE LYS 17 -9.172 -5.654 -7.291 140 2HE LYS 17 1HE LYS 17 -8.045 -6.794 -8.024 141 1HZ LYS 17 1HZ LYS 17 -7.565 -7.199 -5.435 142 2HZ LYS 17 2HZ LYS 17 -8.696 -8.086 -6.325 143 3HZ LYS 17 3HZ LYS 17 -9.205 -6.787 -5.368 144 H GLU 18 H GLU 18 -3.460 -4.489 -10.217 145 HA GLU 18 HA GLU 18 -0.978 -3.152 -9.373 146 1HB GLU 18 2HB GLU 18 -0.905 -2.449 -11.835 147 2HB GLU 18 1HB GLU 18 -0.567 -4.133 -11.464 148 1HG GLU 18 2HG GLU 18 -2.838 -4.742 -12.095 149 2HG GLU 18 1HG GLU 18 -3.200 -3.052 -12.442 150 H GLY 19 H GLY 19 -4.184 -2.690 -9.207 151 1HA GLY 19 2HA GLY 19 -4.181 0.120 -10.019 152 2HA GLY 19 1HA GLY 19 -5.587 -0.818 -9.540 153 H TYR 20 H TYR 20 -3.652 -1.729 -7.227 154 HA TYR 20 HA TYR 20 -4.580 0.303 -5.393 155 1HB TYR 20 2HB TYR 20 -4.339 -2.426 -5.181 156 2HB TYR 20 1HB TYR 20 -2.900 -1.873 -4.332 157 HD1 TYR 20 2HD TYR 20 -6.166 -0.112 -4.411 158 HD2 TYR 20 1HD TYR 20 -3.481 -2.505 -2.136 159 HE1 TYR 20 2HE TYR 20 -7.513 0.303 -2.397 160 HE2 TYR 20 1HE TYR 20 -4.823 -2.095 -0.115 161 HH TYR 20 HH TYR 20 -6.874 0.265 0.287 162 H ARG 21 H ARG 21 -3.438 2.048 -5.456 163 HA ARG 21 HA ARG 21 -0.567 1.867 -4.887 164 1HB ARG 21 2HB ARG 21 -0.108 3.541 -6.591 165 2HB ARG 21 1HB ARG 21 -0.909 2.140 -7.297 166 1HG ARG 21 2HG ARG 21 -3.028 3.721 -6.678 167 2HG ARG 21 1HG ARG 21 -1.803 4.914 -7.122 168 1HD ARG 21 2HD ARG 21 -1.426 3.704 -9.234 169 2HD ARG 21 1HD ARG 21 -2.689 2.556 -8.786 170 HE ARG 21 HE ARG 21 -3.724 5.173 -8.704 171 1HH1 ARG 21 1HH1 ARG 21 -2.647 2.770 -10.995 172 2HH1 ARG 21 2HH1 ARG 21 -3.681 3.336 -12.263 173 1HH2 ARG 21 1HH2 ARG 21 -5.084 5.918 -10.371 174 2HH2 ARG 21 2HH2 ARG 21 -5.064 5.123 -11.910 175 H ARG 22 H ARG 22 0.241 3.515 -3.611 176 HA ARG 22 HA ARG 22 -0.898 5.999 -3.142 177 1HB ARG 22 2HB ARG 22 -2.524 4.081 -2.036 178 2HB ARG 22 1HB ARG 22 -1.514 4.536 -0.672 179 1HG ARG 22 2HG ARG 22 -2.316 6.691 -0.621 180 2HG ARG 22 1HG ARG 22 -2.791 6.667 -2.321 181 1HD ARG 22 2HD ARG 22 -4.149 4.807 -0.433 182 2HD ARG 22 1HD ARG 22 -4.577 6.514 -0.385 183 HE ARG 22 HE ARG 22 -5.449 6.345 -2.553 184 1HH1 ARG 22 1HH1 ARG 22 -4.195 3.281 -1.426 185 2HH1 ARG 22 2HH1 ARG 22 -5.013 2.364 -2.643 186 1HH2 ARG 22 1HH2 ARG 22 -6.521 5.131 -4.147 187 2HH2 ARG 22 2HH2 ARG 22 -6.330 3.410 -4.185 188 H ALA 23 H ALA 23 -0.357 6.424 -0.448 189 HA ALA 23 HA ALA 23 2.535 6.297 -0.479 190 1HB ALA 23 1HB ALA 23 2.372 7.717 1.540 191 2HB ALA 23 2HB ALA 23 0.615 7.581 1.460 192 3HB ALA 23 3HB ALA 23 1.498 8.380 0.160 193 H GLY 24 H GLY 24 2.205 3.818 -0.326 194 1HA GLY 24 2HA GLY 24 3.083 2.134 1.084 195 2HA GLY 24 1HA GLY 24 2.642 3.107 2.480 196 H PHE 25 H PHE 25 -0.051 3.627 1.709 197 HA PHE 25 HA PHE 25 -1.331 1.378 2.797 198 1HB PHE 25 2HB PHE 25 -2.510 3.670 1.214 199 2HB PHE 25 1HB PHE 25 -3.430 2.532 2.193 200 HD1 PHE 25 2HD PHE 25 -3.348 2.624 4.616 201 HD2 PHE 25 1HD PHE 25 -1.183 5.403 2.227 202 HE1 PHE 25 2HE PHE 25 -3.032 4.065 6.585 203 HE2 PHE 25 1HE PHE 25 -0.862 6.849 4.192 204 HZ PHE 25 HZ PHE 25 -1.787 6.181 6.375 205 H SER 26 H SER 26 -0.340 2.069 -0.407 206 HA SER 26 HA SER 26 -1.210 -0.476 -1.350 207 1HB SER 26 2HB SER 26 -2.475 1.894 -2.729 208 2HB SER 26 1HB SER 26 -2.797 0.182 -3.003 209 HG SER 26 HG SER 26 -4.412 0.716 -1.700 210 H PHE 27 H PHE 27 -0.238 -1.049 -3.333 211 HA PHE 27 HA PHE 27 1.318 0.914 -4.781 212 1HB PHE 27 2HB PHE 27 2.562 -1.115 -2.976 213 2HB PHE 27 1HB PHE 27 3.367 -0.739 -4.491 214 HD1 PHE 27 2HD PHE 27 2.392 2.280 -4.370 215 HD2 PHE 27 1HD PHE 27 4.418 -0.325 -1.675 216 HE1 PHE 27 2HE PHE 27 3.472 4.215 -3.313 217 HE2 PHE 27 1HE PHE 27 5.498 1.612 -0.614 218 HZ PHE 27 HZ PHE 27 5.027 3.885 -1.433 219 H HIS 28 H HIS 28 2.383 -0.015 -6.693 220 HA HIS 28 HA HIS 28 0.658 -1.663 -8.165 221 1HB HIS 28 2HB HIS 28 3.571 -1.396 -8.853 222 2HB HIS 28 1HB HIS 28 2.184 -1.460 -9.933 223 HD1 HIS 28 1HD HIS 28 4.521 0.798 -9.683 224 HD2 HIS 28 2HD HIS 28 0.545 1.088 -8.512 225 HE1 HIS 28 1HE HIS 28 4.006 3.258 -9.663 226 HE2 HIS 28 2HE HIS 28 1.571 3.406 -9.030 227 H LEU 29 H LEU 29 1.789 -3.633 -9.421 228 HA LEU 29 HA LEU 29 2.228 -5.616 -7.367 229 1HB LEU 29 2HB LEU 29 1.770 -5.715 -10.323 230 2HB LEU 29 1HB LEU 29 2.360 -7.132 -9.473 231 HG LEU 29 HG LEU 29 -0.256 -5.711 -9.060 232 1HD1 LEU 29 1HD1 LEU 29 -1.240 -7.806 -9.725 233 2HD1 LEU 29 2HD1 LEU 29 0.353 -8.558 -9.829 234 3HD1 LEU 29 3HD1 LEU 29 -0.096 -7.281 -10.961 235 1HD2 LEU 29 1HD2 LEU 29 -0.665 -7.549 -7.370 236 2HD2 LEU 29 2HD2 LEU 29 0.436 -6.263 -6.873 237 3HD2 LEU 29 3HD2 LEU 29 1.077 -7.822 -7.390 238 H GLY 30 H GLY 30 4.187 -5.619 -6.534 239 1HA GLY 30 2HA GLY 30 6.376 -6.723 -7.809 240 2HA GLY 30 1HA GLY 30 6.557 -4.984 -7.988 241 H ASP 31 H ASP 31 8.331 -4.739 -6.685 242 HA ASP 31 HA ASP 31 7.801 -4.892 -3.830 243 1HB ASP 31 2HB ASP 31 10.153 -5.911 -3.524 244 2HB ASP 31 1HB ASP 31 8.838 -6.984 -3.990 245 H ASN 32 H ASN 32 8.518 -3.130 -2.827 246 HA ASN 32 HA ASN 32 10.656 -1.565 -4.126 247 1HB ASN 32 2HB ASN 32 9.505 0.484 -3.275 248 2HB ASN 32 1HB ASN 32 8.579 -0.394 -4.488 249 1HD2 ASN 32 1HD2 ASN 32 8.797 0.528 -1.159 250 2HD2 ASN 32 2HD2 ASN 32 7.203 0.038 -0.704 251 H SER 33 H SER 33 12.313 -0.938 -2.856 252 HA SER 33 HA SER 33 12.310 -1.844 -0.100 253 1HB SER 33 2HB SER 33 14.734 -0.764 -0.312 254 2HB SER 33 1HB SER 33 14.370 -2.373 -0.939 255 HG SER 33 HG SER 33 14.435 -1.630 -2.953 256 H LEU 34 H LEU 34 12.636 -0.585 1.670 257 HA LEU 34 HA LEU 34 12.130 2.294 1.306 258 1HB LEU 34 2HB LEU 34 10.265 1.247 2.381 259 2HB LEU 34 1HB LEU 34 11.302 0.354 3.470 260 HG LEU 34 HG LEU 34 9.946 2.361 4.329 261 1HD1 LEU 34 1HD1 LEU 34 12.803 1.691 4.923 262 2HD1 LEU 34 2HD1 LEU 34 11.349 1.136 5.732 263 3HD1 LEU 34 3HD1 LEU 34 11.870 2.808 5.923 264 1HD2 LEU 34 1HD2 LEU 34 12.251 4.083 3.999 265 2HD2 LEU 34 2HD2 LEU 34 10.536 4.434 3.787 266 3HD2 LEU 34 3HD2 LEU 34 11.461 3.733 2.461 267 H ALA 35 H ALA 35 13.388 3.759 2.451 268 HA ALA 35 HA ALA 35 16.005 2.952 3.156 269 1HB ALA 35 1HB ALA 35 14.782 5.609 3.816 270 2HB ALA 35 2HB ALA 35 15.272 5.183 2.177 271 3HB ALA 35 3HB ALA 35 16.468 5.227 3.473 272 H ALA 36 H ALA 36 17.016 3.288 5.222 273 HA ALA 36 HA ALA 36 15.496 2.139 7.317 274 1HB ALA 36 1HB ALA 36 18.012 3.428 8.089 275 2HB ALA 36 2HB ALA 36 18.143 2.279 6.758 276 3HB ALA 36 3HB ALA 36 17.473 1.763 8.306 277 H VAL 37 H VAL 37 14.073 3.104 8.519 278 HA VAL 37 HA VAL 37 14.574 5.845 9.448 279 HB VAL 37 HB VAL 37 12.484 6.619 8.915 280 1HG1 VAL 37 1HG1 VAL 37 12.167 4.575 6.821 281 2HG1 VAL 37 2HG1 VAL 37 13.732 5.389 6.868 282 3HG1 VAL 37 3HG1 VAL 37 12.253 6.332 6.694 283 1HG2 VAL 37 1HG2 VAL 37 10.577 4.881 8.394 284 2HG2 VAL 37 2HG2 VAL 37 10.977 5.320 10.055 285 3HG2 VAL 37 3HG2 VAL 37 11.587 3.814 9.370 286 H SER 38 H SER 38 12.553 6.230 11.164 287 HA SER 38 HA SER 38 13.314 4.715 13.418 288 1HB SER 38 2HB SER 38 12.258 7.108 13.231 289 2HB SER 38 1HB SER 38 10.732 6.233 13.351 290 HG SER 38 HG SER 38 12.677 6.677 15.259 291 H GLU 39 H GLU 39 10.141 4.837 11.772 292 HA GLU 39 HA GLU 39 9.781 2.027 11.859 293 1HB GLU 39 2HB GLU 39 9.478 2.886 14.309 294 2HB GLU 39 1HB GLU 39 7.901 3.405 13.732 295 1HG GLU 39 2HG GLU 39 7.859 0.899 12.832 296 2HG GLU 39 1HG GLU 39 8.956 0.684 14.195 297 H SER 40 H SER 40 8.691 5.183 11.135 298 HA SER 40 HA SER 40 6.098 5.038 10.430 299 1HB SER 40 2HB SER 40 8.218 6.251 8.651 300 2HB SER 40 1HB SER 40 6.519 6.717 8.744 301 HG SER 40 HG SER 40 8.419 7.792 10.080 302 H GLN 41 H GLN 41 8.766 3.662 8.515 303 HA GLN 41 HA GLN 41 7.305 3.010 6.235 304 1HB GLN 41 2HB GLN 41 9.017 1.108 6.001 305 2HB GLN 41 1HB GLN 41 9.584 2.767 5.995 306 1HG GLN 41 2HG GLN 41 10.997 2.278 7.592 307 2HG GLN 41 1HG GLN 41 9.650 1.914 8.672 308 1HE2 GLN 41 1HE2 GLN 41 8.802 -0.350 8.501 309 2HE2 GLN 41 2HE2 GLN 41 9.942 -1.612 8.235 310 H LEU 42 H LEU 42 7.764 1.149 9.197 311 HA LEU 42 HA LEU 42 6.453 -1.174 8.301 312 1HB LEU 42 2HB LEU 42 7.905 -1.155 10.265 313 2HB LEU 42 1HB LEU 42 6.777 -0.108 11.106 314 HG LEU 42 HG LEU 42 5.071 -2.011 10.800 315 1HD1 LEU 42 1HD1 LEU 42 7.133 -4.025 10.879 316 2HD1 LEU 42 2HD1 LEU 42 7.181 -3.126 9.363 317 3HD1 LEU 42 3HD1 LEU 42 5.693 -3.926 9.867 318 1HD2 LEU 42 1HD2 LEU 42 6.301 -3.300 12.730 319 2HD2 LEU 42 2HD2 LEU 42 5.676 -1.669 12.983 320 3HD2 LEU 42 3HD2 LEU 42 7.394 -1.917 12.663 321 H ALA 43 H ALA 43 5.250 1.440 10.390 322 HA ALA 43 HA ALA 43 2.581 0.473 10.369 323 1HB ALA 43 1HB ALA 43 2.159 2.097 11.868 324 2HB ALA 43 2HB ALA 43 3.031 3.324 10.950 325 3HB ALA 43 3HB ALA 43 3.918 2.173 11.949 326 H GLN 44 H GLN 44 4.409 2.479 8.210 327 HA GLN 44 HA GLN 44 2.335 3.969 7.051 328 1HB GLN 44 2HB GLN 44 4.625 4.525 6.565 329 2HB GLN 44 1HB GLN 44 4.919 2.935 5.877 330 1HG GLN 44 2HG GLN 44 4.303 3.638 3.874 331 2HG GLN 44 1HG GLN 44 2.745 4.176 4.499 332 1HE2 GLN 44 1HE2 GLN 44 2.613 6.321 5.379 333 2HE2 GLN 44 2HE2 GLN 44 3.670 7.558 4.799 334 H LEU 45 H LEU 45 3.746 0.866 6.026 335 HA LEU 45 HA LEU 45 1.694 0.452 4.054 336 1HB LEU 45 2HB LEU 45 3.949 -1.245 5.091 337 2HB LEU 45 1HB LEU 45 2.792 -1.840 3.915 338 1HD1 LEU 45 1HD1 LEU 45 5.826 0.529 4.098 339 2HD1 LEU 45 2HD1 LEU 45 6.184 -0.344 2.607 340 3HD1 LEU 45 3HD1 LEU 45 5.829 -1.234 4.087 341 1HD2 LEU 45 1HD2 LEU 45 4.808 -1.261 1.351 342 2HD2 LEU 45 2HD2 LEU 45 3.227 -0.488 1.219 343 3HD2 LEU 45 3HD2 LEU 45 3.387 -2.030 2.060 344 H LYS 46 H LYS 46 2.651 -1.293 6.997 345 HA LYS 46 HA LYS 46 0.558 -3.085 7.139 346 1HB LYS 46 2HB LYS 46 2.699 -2.474 8.728 347 2HB LYS 46 1HB LYS 46 1.353 -1.990 9.748 348 1HG LYS 46 2HG LYS 46 0.458 -4.385 8.960 349 2HG LYS 46 1HG LYS 46 2.197 -4.674 8.863 350 1HD LYS 46 2HD LYS 46 2.500 -4.126 11.156 351 2HD LYS 46 1HD LYS 46 0.859 -3.494 11.289 352 1HE LYS 46 2HE LYS 46 0.081 -5.505 11.822 353 2HE LYS 46 1HE LYS 46 0.769 -6.199 10.354 354 1HZ LYS 46 1HZ LYS 46 2.761 -6.701 11.450 355 2HZ LYS 46 2HZ LYS 46 1.548 -7.161 12.537 356 3HZ LYS 46 3HZ LYS 46 2.396 -5.718 12.779 357 H ALA 47 H ALA 47 0.490 0.324 7.729 358 HA ALA 47 HA ALA 47 -1.526 0.757 9.490 359 1HB ALA 47 1HB ALA 47 -0.764 2.737 8.701 360 2HB ALA 47 2HB ALA 47 -2.207 2.616 7.694 361 3HB ALA 47 3HB ALA 47 -0.634 2.154 7.042 362 H ASP 48 H ASP 48 -1.842 -0.558 6.267 363 HA ASP 48 HA ASP 48 -4.717 -0.938 6.767 364 1HB ASP 48 2HB ASP 48 -3.629 0.611 4.733 365 2HB ASP 48 1HB ASP 48 -4.004 -0.915 3.938 366 HA PRO 49 HA PRO 49 -3.520 -5.207 6.259 367 1HB PRO 49 2HB PRO 49 -5.968 -6.312 6.491 368 2HB PRO 49 1HB PRO 49 -5.107 -5.636 7.879 369 1HG PRO 49 2HG PRO 49 -7.281 -4.412 6.221 370 2HG PRO 49 1HG PRO 49 -7.091 -4.422 7.985 371 1HD PRO 49 2HD PRO 49 -6.402 -2.297 6.436 372 2HD PRO 49 1HD PRO 49 -5.578 -2.689 7.958 373 H ARG 50 H ARG 50 -2.984 -4.590 3.967 374 HA ARG 50 HA ARG 50 -4.700 -6.107 2.169 375 1HB ARG 50 2HB ARG 50 -4.981 -3.398 2.216 376 2HB ARG 50 1HB ARG 50 -3.745 -3.586 0.981 377 1HG ARG 50 2HG ARG 50 -5.327 -4.064 -0.489 378 2HG ARG 50 1HG ARG 50 -5.722 -5.514 0.436 379 1HD ARG 50 2HD ARG 50 -7.163 -4.030 1.893 380 2HD ARG 50 1HD ARG 50 -6.928 -2.768 0.684 381 HE ARG 50 HE ARG 50 -7.822 -4.850 -0.783 382 1HH1 ARG 50 1HH1 ARG 50 -9.007 -3.312 2.118 383 2HH1 ARG 50 2HH1 ARG 50 -10.667 -3.670 1.779 384 1HH2 ARG 50 1HH2 ARG 50 -10.005 -5.321 -1.230 385 2HH2 ARG 50 2HH2 ARG 50 -11.235 -4.811 -0.122 386 H LEU 51 H LEU 51 -1.702 -4.226 2.505 387 HA LEU 51 HA LEU 51 -0.409 -6.115 0.652 388 1HB LEU 51 2HB LEU 51 0.781 -3.484 1.457 389 2HB LEU 51 1HB LEU 51 1.139 -4.462 0.050 390 HG LEU 51 HG LEU 51 -0.024 -2.698 -0.873 391 1HD1 LEU 51 1HD1 LEU 51 -1.268 -5.140 -0.904 392 2HD1 LEU 51 2HD1 LEU 51 -1.668 -3.766 -1.934 393 3HD1 LEU 51 3HD1 LEU 51 -2.571 -4.045 -0.446 394 1HD2 LEU 51 1HD2 LEU 51 -1.217 -2.520 1.770 395 2HD2 LEU 51 2HD2 LEU 51 -2.378 -2.224 0.476 396 3HD2 LEU 51 3HD2 LEU 51 -0.905 -1.261 0.577 397 H VAL 52 H VAL 52 0.995 -7.508 1.463 398 HA VAL 52 HA VAL 52 1.584 -7.664 4.216 399 HB VAL 52 HB VAL 52 3.202 -8.976 2.058 400 1HG1 VAL 52 1HG1 VAL 52 3.280 -10.824 3.754 401 2HG1 VAL 52 2HG1 VAL 52 2.545 -9.703 4.899 402 3HG1 VAL 52 3HG1 VAL 52 4.128 -9.346 4.206 403 1HG2 VAL 52 1HG2 VAL 52 1.221 -9.740 1.283 404 2HG2 VAL 52 2HG2 VAL 52 0.382 -9.407 2.798 405 3HG2 VAL 52 3HG2 VAL 52 1.371 -10.859 2.637 406 H VAL 53 H VAL 53 2.747 -6.134 5.193 407 HA VAL 53 HA VAL 53 5.177 -5.101 3.914 408 HB VAL 53 HB VAL 53 3.750 -3.360 4.712 409 1HG1 VAL 53 1HG1 VAL 53 3.689 -3.597 7.502 410 2HG1 VAL 53 2HG1 VAL 53 3.235 -5.179 6.871 411 3HG1 VAL 53 3HG1 VAL 53 2.337 -3.743 6.380 412 1HG2 VAL 53 1HG2 VAL 53 6.121 -2.954 5.042 413 2HG2 VAL 53 2HG2 VAL 53 6.045 -3.707 6.634 414 3HG2 VAL 53 3HG2 VAL 53 5.181 -2.199 6.331 415 H GLN 54 H GLN 54 7.091 -5.849 4.492 416 HA GLN 54 HA GLN 54 7.367 -7.131 7.137 417 1HB GLN 54 2HB GLN 54 9.009 -8.699 6.017 418 2HB GLN 54 1HB GLN 54 7.315 -8.932 5.609 419 1HG GLN 54 2HG GLN 54 7.662 -7.687 3.524 420 2HG GLN 54 1HG GLN 54 9.368 -7.507 3.931 421 1HE2 GLN 54 1HE2 GLN 54 7.573 -9.045 1.878 422 2HE2 GLN 54 2HE2 GLN 54 8.346 -10.587 1.798 423 H ILE 55 H ILE 55 9.209 -6.785 8.274 424 HA ILE 55 HA ILE 55 11.008 -4.703 7.253 425 HB ILE 55 HB ILE 55 11.742 -4.496 9.627 426 1HG1 ILE 55 2HG1 ILE 55 9.439 -5.731 10.823 427 2HG1 ILE 55 1HG1 ILE 55 10.324 -6.929 9.884 428 1HG2 ILE 55 1HG2 ILE 55 8.951 -4.011 10.055 429 2HG2 ILE 55 2HG2 ILE 55 9.389 -3.583 8.402 430 3HG2 ILE 55 3HG2 ILE 55 10.252 -2.860 9.759 431 1HD1 ILE 55 1HD1 ILE 55 11.277 -7.085 11.980 432 2HD1 ILE 55 2HD1 ILE 55 11.229 -5.342 12.245 433 3HD1 ILE 55 3HD1 ILE 55 12.397 -6.031 11.118 434 H THR 56 H THR 56 12.814 -5.429 6.340 435 HA THR 56 HA THR 56 14.177 -7.724 7.585 436 HB THR 56 HB THR 56 13.349 -8.468 5.468 437 HG1 THR 56 1HG THR 56 16.061 -7.741 5.086 438 1HG2 THR 56 1HG2 THR 56 14.563 -7.049 3.471 439 2HG2 THR 56 2HG2 THR 56 14.021 -5.785 4.576 440 3HG2 THR 56 3HG2 THR 56 12.863 -6.946 3.926 441 H GLU 57 H GLU 57 15.777 -6.824 8.727 442 HA GLU 57 HA GLU 57 17.310 -4.617 7.564 443 1HB GLU 57 2HB GLU 57 18.270 -4.365 9.821 444 2HB GLU 57 1HB GLU 57 16.514 -4.272 9.835 445 1HG GLU 57 2HG GLU 57 16.310 -6.066 11.142 446 2HG GLU 57 1HG GLU 57 17.544 -6.967 10.263 447 H THR 58 H THR 58 18.006 -6.523 6.054 448 HA THR 58 HA THR 58 20.716 -7.141 6.750 449 HB THR 58 HB THR 58 20.257 -9.667 6.243 450 HG1 THR 58 1HG THR 58 18.235 -10.147 6.144 451 1HG2 THR 58 1HG2 THR 58 19.317 -8.790 8.941 452 2HG2 THR 58 2HG2 THR 58 21.001 -8.598 8.453 453 3HG2 THR 58 3HG2 THR 58 20.272 -10.204 8.495 454 H GLY 59 H GLY 59 21.672 -8.640 4.949 455 1HA GLY 59 2HA GLY 59 21.563 -9.318 2.646 456 2HA GLY 59 1HA GLY 59 20.364 -8.063 2.376 457 H SER 60 H SER 60 22.511 -8.321 0.686 458 HA SER 60 HA SER 60 23.966 -5.835 1.247 459 1HB SER 60 2HB SER 60 25.352 -8.152 -0.080 460 2HB SER 60 1HB SER 60 26.063 -6.731 0.685 461 HG SER 60 HG SER 60 25.091 -7.627 2.687 462 H GLN 61 H GLN 61 22.353 -4.939 -0.188 463 HA GLN 61 HA GLN 61 23.228 -5.041 -2.946 464 1HB GLN 61 2HB GLN 61 21.281 -6.775 -2.390 465 2HB GLN 61 1HB GLN 61 20.286 -5.339 -2.591 466 1HG GLN 61 2HG GLN 61 20.724 -5.172 -4.821 467 2HG GLN 61 1HG GLN 61 22.302 -5.947 -4.681 468 1HE2 GLN 61 1HE2 GLN 61 22.468 -8.008 -5.244 469 2HE2 GLN 61 2HE2 GLN 61 21.145 -9.081 -5.535 470 H GLU 62 H GLU 62 22.839 -3.160 -4.049 471 HA GLU 62 HA GLU 62 21.677 -0.983 -2.460 472 1HB GLU 62 2HB GLU 62 23.480 -0.835 -4.883 473 2HB GLU 62 1HB GLU 62 22.931 0.529 -3.921 474 1HG GLU 62 2HG GLU 62 24.840 0.300 -2.807 475 2HG GLU 62 1HG GLU 62 24.080 -1.094 -2.041 476 H GLY 63 H GLY 63 19.678 -0.383 -2.945 477 1HA GLY 63 2HA GLY 63 18.835 -0.487 -5.773 478 2HA GLY 63 1HA GLY 63 17.787 -1.078 -4.492 479 H GLY 64 H GLY 64 16.641 0.723 -6.002 480 1HA GLY 64 2HA GLY 64 16.548 3.087 -4.271 481 2HA GLY 64 1HA GLY 64 16.816 3.334 -5.988 482 H GLU 65 H GLU 65 15.141 1.846 -7.307 483 HA GLU 65 HA GLU 65 12.988 1.641 -8.006 484 1HB GLU 65 2HB GLU 65 12.909 0.251 -5.888 485 2HB GLU 65 1HB GLU 65 12.225 1.659 -5.087 486 1HG GLU 65 2HG GLU 65 10.235 0.903 -5.695 487 2HG GLU 65 1HG GLU 65 10.659 1.355 -7.345 488 H GLY 66 H GLY 66 14.134 4.290 -7.576 489 1HA GLY 66 2HA GLY 66 12.575 6.122 -8.423 490 2HA GLY 66 1HA GLY 66 11.706 5.834 -6.924 491 H LEU 67 H LEU 67 14.989 6.586 -8.082 492 HA LEU 67 HA LEU 67 15.352 8.249 -5.680 493 1HB LEU 67 2HB LEU 67 17.158 6.511 -7.241 494 2HB LEU 67 1HB LEU 67 17.849 8.030 -6.701 495 HG LEU 67 HG LEU 67 16.408 6.441 -4.656 496 1HD1 LEU 67 1HD1 LEU 67 17.962 4.952 -6.214 497 2HD1 LEU 67 2HD1 LEU 67 17.876 4.721 -4.467 498 3HD1 LEU 67 3HD1 LEU 67 19.211 5.634 -5.171 499 1HD2 LEU 67 1HD2 LEU 67 19.076 7.837 -4.601 500 2HD2 LEU 67 2HD2 LEU 67 18.112 7.306 -3.223 501 3HD2 LEU 67 3HD2 LEU 67 17.541 8.627 -4.242 502 H SER 68 H SER 68 14.022 8.958 -8.266 503 HA SER 68 HA SER 68 15.186 11.547 -8.556 504 1HB SER 68 2HB SER 68 15.236 9.882 -11.068 505 2HB SER 68 1HB SER 68 15.988 11.450 -10.776 506 HG SER 68 HG SER 68 17.314 9.385 -10.700 507 H LYS 69 H LYS 69 14.067 12.692 -10.532 508 HA LYS 69 HA LYS 69 11.234 11.879 -10.503 509 1HB LYS 69 2HB LYS 69 12.505 14.612 -10.528 510 2HB LYS 69 1HB LYS 69 10.822 14.361 -10.970 511 1HG LYS 69 2HG LYS 69 11.738 13.228 -8.390 512 2HG LYS 69 1HG LYS 69 11.569 14.981 -8.505 513 1HD LYS 69 2HD LYS 69 9.391 13.087 -9.354 514 2HD LYS 69 1HD LYS 69 9.535 13.686 -7.700 515 1HE LYS 69 2HE LYS 69 9.169 15.915 -8.367 516 2HE LYS 69 1HE LYS 69 9.439 15.535 -10.067 517 1HZ LYS 69 1HZ LYS 69 7.050 15.207 -8.450 518 2HZ LYS 69 2HZ LYS 69 7.376 13.948 -9.530 519 3HZ LYS 69 3HZ LYS 69 7.204 15.529 -10.104 520 H GLU 70 H GLU 70 13.853 13.221 -12.446 521 HA GLU 70 HA GLU 70 12.829 12.004 -14.819 522 1HB GLU 70 2HB GLU 70 12.473 14.038 -16.119 523 2HB GLU 70 1HB GLU 70 11.383 13.986 -14.741 524 1HG GLU 70 2HG GLU 70 13.981 15.466 -14.606 525 2HG GLU 70 1HG GLU 70 12.539 16.199 -15.308 526 HA PRO 71 HA PRO 71 17.152 11.897 -15.736 527 1HB PRO 71 2HB PRO 71 16.284 12.276 -18.560 528 2HB PRO 71 1HB PRO 71 17.323 11.030 -17.858 529 1HG PRO 71 2HG PRO 71 14.812 10.474 -18.547 530 2HG PRO 71 1HG PRO 71 15.528 9.787 -17.076 531 1HD PRO 71 2HD PRO 71 13.575 12.027 -17.369 532 2HD PRO 71 1HD PRO 71 13.684 10.779 -16.110 533 H ALA 72 H ALA 72 15.542 14.065 -18.070 534 HA ALA 72 HA ALA 72 17.206 16.279 -17.121 535 1HB ALA 72 1HB ALA 72 16.952 15.924 -20.068 536 2HB ALA 72 2HB ALA 72 18.156 14.978 -19.193 537 3HB ALA 72 3HB ALA 72 18.205 16.741 -19.134 538 H GLY 73 H GLY 73 14.631 15.290 -19.368 539 1HA GLY 73 2HA GLY 73 12.432 16.389 -18.827 540 2HA GLY 73 1HA GLY 73 13.333 17.897 -18.870 541 H SER 74 H SER 74 14.116 18.674 -20.878 542 HA SER 74 HA SER 74 13.778 19.258 -23.056 543 1HB SER 74 2HB SER 74 13.968 17.331 -24.676 544 2HB SER 74 1HB SER 74 15.266 17.430 -23.486 545 HG SER 74 HG SER 74 12.980 15.755 -23.298 546 H ASP 75 H ASP 75 11.711 20.155 -22.867 547 HA ASP 75 HA ASP 75 9.527 20.443 -23.427 548 1HB ASP 75 2HB ASP 75 10.455 18.328 -25.262 549 2HB ASP 75 1HB ASP 75 8.710 18.402 -25.037 550 H GLU 76 H GLU 76 7.637 20.016 -22.426 551 HA GLU 76 HA GLU 76 7.411 17.431 -21.028 552 1HB GLU 76 2HB GLU 76 6.090 18.669 -19.304 553 2HB GLU 76 1HB GLU 76 7.778 19.155 -19.402 554 1HG GLU 76 2HG GLU 76 5.678 20.663 -20.900 555 2HG GLU 76 1HG GLU 76 5.947 20.959 -19.183 556 H GLN 77 H GLN 77 5.708 19.977 -22.763 557 HA GLN 77 HA GLN 77 3.409 18.155 -23.045 558 1HB GLN 77 2HB GLN 77 3.518 21.150 -22.792 559 2HB GLN 77 1HB GLN 77 2.134 20.347 -23.524 560 1HG GLN 77 2HG GLN 77 2.271 18.929 -21.281 561 2HG GLN 77 1HG GLN 77 3.022 20.415 -20.703 562 1HE2 GLN 77 1HE2 GLN 77 0.148 19.095 -22.241 563 2HE2 GLN 77 2HE2 GLN 77 -0.934 20.329 -21.699 564 H LYS 78 H LYS 78 2.038 19.024 -25.061 565 HA LYS 78 HA LYS 78 3.630 19.914 -27.281 566 1HB LYS 78 2HB LYS 78 3.075 17.039 -26.856 567 2HB LYS 78 1HB LYS 78 2.772 17.641 -28.479 568 1HG LYS 78 2HG LYS 78 4.929 17.353 -28.891 569 2HG LYS 78 1HG LYS 78 5.246 18.702 -27.799 570 1HD LYS 78 2HD LYS 78 5.372 17.121 -25.916 571 2HD LYS 78 1HD LYS 78 5.108 15.785 -27.038 572 1HE LYS 78 2HE LYS 78 7.194 17.096 -28.210 573 2HE LYS 78 1HE LYS 78 7.528 17.348 -26.496 574 1HZ LYS 78 1HZ LYS 78 8.557 15.358 -26.852 575 2HZ LYS 78 2HZ LYS 78 7.454 14.849 -28.028 576 3HZ LYS 78 3HZ LYS 78 7.027 14.801 -26.392 577 H GLN 79 H GLN 79 1.556 21.228 -26.400 578 HA GLN 79 HA GLN 79 -0.429 22.164 -26.994 579 1HB GLN 79 2HB GLN 79 0.428 20.748 -29.452 580 2HB GLN 79 1HB GLN 79 -1.266 21.213 -29.373 581 1HG GLN 79 2HG GLN 79 -0.094 23.510 -28.588 582 2HG GLN 79 1HG GLN 79 1.142 22.868 -29.669 583 1HE2 GLN 79 1HE2 GLN 79 -1.614 24.690 -29.488 584 2HE2 GLN 79 2HE2 GLN 79 -2.082 24.655 -31.151 585 H LEU 80 H LEU 80 -2.600 21.789 -26.691 586 HA LEU 80 HA LEU 80 -3.608 19.061 -26.813 587 1HB LEU 80 2HB LEU 80 -3.091 20.559 -24.314 588 2HB LEU 80 1HB LEU 80 -4.633 19.729 -24.409 589 HG LEU 80 HG LEU 80 -2.002 18.344 -24.898 590 1HD1 LEU 80 1HD1 LEU 80 -2.568 19.438 -22.526 591 2HD1 LEU 80 2HD1 LEU 80 -1.729 17.897 -22.698 592 3HD1 LEU 80 3HD1 LEU 80 -3.460 17.926 -22.363 593 1HD2 LEU 80 1HD2 LEU 80 -4.029 17.283 -25.817 594 2HD2 LEU 80 2HD2 LEU 80 -4.734 17.276 -24.200 595 3HD2 LEU 80 3HD2 LEU 80 -3.285 16.327 -24.535 596 H ARG 81 H ARG 81 -4.784 20.099 -28.561 597 HA ARG 81 HA ARG 81 -7.137 21.557 -27.559 598 1HB ARG 81 2HB ARG 81 -5.210 22.605 -29.266 599 2HB ARG 81 1HB ARG 81 -6.511 22.128 -30.346 600 1HG ARG 81 2HG ARG 81 -7.849 23.782 -29.660 601 2HG ARG 81 1HG ARG 81 -7.418 23.557 -27.963 602 1HD ARG 81 2HD ARG 81 -5.219 24.676 -28.506 603 2HD ARG 81 1HD ARG 81 -5.918 25.102 -30.067 604 HE ARG 81 HE ARG 81 -7.144 26.731 -29.032 605 1HH1 ARG 81 1HH1 ARG 81 -5.932 24.531 -26.610 606 2HH1 ARG 81 2HH1 ARG 81 -6.456 25.507 -25.280 607 1HH2 ARG 81 1HH2 ARG 81 -7.835 28.018 -27.283 608 2HH2 ARG 81 2HH2 ARG 81 -7.538 27.487 -25.662 609 H ALA 82 H ALA 82 -9.112 21.108 -28.585 610 HA ALA 82 HA ALA 82 -9.434 19.443 -30.820 611 1HB ALA 82 1HB ALA 82 -8.524 17.932 -28.788 612 2HB ALA 82 2HB ALA 82 -9.594 17.327 -30.053 613 3HB ALA 82 3HB ALA 82 -10.260 17.826 -28.497 614 H ASP 83 H ASP 83 -10.754 20.482 -27.719 615 HA ASP 83 HA ASP 83 -12.766 21.399 -27.171 616 1HB ASP 83 2HB ASP 83 -12.404 22.342 -29.647 617 2HB ASP 83 1HB ASP 83 -13.806 21.322 -29.959 618 HA PRO 84 HA PRO 84 -14.261 16.974 -27.124 619 1HB PRO 84 2HB PRO 84 -15.645 17.756 -24.741 620 2HB PRO 84 1HB PRO 84 -14.249 16.689 -24.891 621 1HG PRO 84 2HG PRO 84 -14.364 19.542 -24.162 622 2HG PRO 84 1HG PRO 84 -13.120 18.335 -23.798 623 1HD PRO 84 2HD PRO 84 -12.734 20.320 -25.588 624 2HD PRO 84 1HD PRO 84 -11.995 18.715 -25.777 625 HA PRO 85 HA PRO 85 -18.809 18.679 -26.789 626 1HB PRO 85 2HB PRO 85 -18.989 21.436 -26.906 627 2HB PRO 85 1HB PRO 85 -19.102 20.477 -25.428 628 1HG PRO 85 2HG PRO 85 -16.772 21.971 -26.547 629 2HG PRO 85 1HG PRO 85 -17.288 21.792 -24.860 630 1HD PRO 85 2HD PRO 85 -15.228 20.393 -25.869 631 2HD PRO 85 1HD PRO 85 -16.320 19.701 -24.654 632 H SER 86 H SER 86 -17.257 21.465 -28.363 633 HA SER 86 HA SER 86 -17.189 22.157 -30.528 634 1HB SER 86 2HB SER 86 -16.129 19.846 -30.781 635 2HB SER 86 1HB SER 86 -17.705 19.301 -31.354 636 HG SER 86 HG SER 86 -16.026 21.275 -32.500 637 H THR 87 H THR 87 -18.670 23.180 -31.725 638 HA THR 87 HA THR 87 -20.683 23.827 -32.562 639 HB THR 87 HB THR 87 -21.317 20.870 -32.585 640 HG1 THR 87 1HG THR 87 -19.876 22.491 -34.395 641 1HG2 THR 87 1HG2 THR 87 -22.429 23.187 -34.135 642 2HG2 THR 87 2HG2 THR 87 -23.293 22.041 -33.110 643 3HG2 THR 87 3HG2 THR 87 -22.605 21.508 -34.645 644 H ASP 88 H ASP 88 -23.006 23.987 -32.090 645 HA ASP 88 HA ASP 88 -24.717 24.337 -30.632 646 1HB ASP 88 2HB ASP 88 -23.721 21.623 -29.944 647 2HB ASP 88 1HB ASP 88 -24.805 22.390 -28.787 648 H LEU 89 H LEU 89 -25.264 24.772 -28.317 649 HA LEU 89 HA LEU 89 -24.868 25.735 -26.303 650 1HB LEU 89 2HB LEU 89 -22.429 24.125 -26.703 651 2HB LEU 89 1HB LEU 89 -22.278 25.448 -25.564 652 HG LEU 89 HG LEU 89 -22.844 23.499 -24.321 653 1HD1 LEU 89 1HD1 LEU 89 -25.562 24.606 -24.373 654 2HD1 LEU 89 2HD1 LEU 89 -24.275 25.794 -24.167 655 3HD1 LEU 89 3HD1 LEU 89 -24.422 24.448 -23.037 656 1HD2 LEU 89 1HD2 LEU 89 -24.700 22.071 -24.797 657 2HD2 LEU 89 2HD2 LEU 89 -23.752 22.239 -26.275 658 3HD2 LEU 89 3HD2 LEU 89 -25.258 23.138 -26.087 659 H ASN 90 H ASN 90 -22.168 26.268 -28.578 660 HA ASN 90 HA ASN 90 -21.167 28.628 -27.626 661 1HB ASN 90 2HB ASN 90 -21.267 27.299 -30.232 662 2HB ASN 90 1HB ASN 90 -21.126 29.051 -30.352 663 1HD2 ASN 90 1HD2 ASN 90 -19.154 27.227 -31.164 664 2HD2 ASN 90 2HD2 ASN 90 -17.761 27.462 -30.169 665 H THR 91 H THR 91 -24.002 28.230 -29.751 666 HA THR 91 HA THR 91 -24.532 30.964 -30.107 667 HB THR 91 HB THR 91 -26.978 29.992 -30.393 668 HG1 THR 91 1HG THR 91 -26.830 27.764 -30.948 669 1HG2 THR 91 1HG2 THR 91 -24.783 29.149 -32.266 670 2HG2 THR 91 2HG2 THR 91 -25.532 30.744 -32.240 671 3HG2 THR 91 3HG2 THR 91 -26.496 29.324 -32.645 672 H PHE 92 H PHE 92 -24.829 29.094 -27.269 673 HA PHE 92 HA PHE 92 -26.955 30.715 -26.131 674 1HB PHE 92 2HB PHE 92 -25.333 28.419 -25.021 675 2HB PHE 92 1HB PHE 92 -26.592 29.252 -24.133 676 HD1 PHE 92 1HD PHE 92 -26.151 27.654 -27.475 677 HD2 PHE 92 2HD PHE 92 -28.643 28.232 -24.074 678 HE1 PHE 92 1HE PHE 92 -27.831 26.148 -28.454 679 HE2 PHE 92 2HE PHE 92 -30.326 26.725 -25.047 680 HZ PHE 92 HZ PHE 92 -29.921 25.680 -27.240 681 H THR 93 H THR 93 -26.484 32.639 -25.295 682 HA THR 93 HA THR 93 -23.762 33.210 -24.448 683 HB THR 93 HB THR 93 -26.150 35.041 -24.737 684 HG1 THR 93 1HG THR 93 -23.974 34.420 -26.424 685 1HG2 THR 93 1HG2 THR 93 -24.967 36.729 -23.936 686 2HG2 THR 93 2HG2 THR 93 -23.583 36.314 -24.948 687 3HG2 THR 93 3HG2 THR 93 -23.782 35.552 -23.369 688 H VAL 94 H VAL 94 -26.116 35.120 -22.835 689 HA VAL 94 HA VAL 94 -25.860 33.522 -20.391 690 HB VAL 94 HB VAL 94 -25.530 35.683 -19.116 691 1HG1 VAL 94 1HG1 VAL 94 -23.597 34.507 -19.062 692 2HG1 VAL 94 2HG1 VAL 94 -23.038 35.829 -20.088 693 3HG1 VAL 94 3HG1 VAL 94 -23.545 34.303 -20.813 694 1HG2 VAL 94 1HG2 VAL 94 -25.123 36.678 -21.918 695 2HG2 VAL 94 2HG2 VAL 94 -24.355 37.463 -20.538 696 3HG2 VAL 94 3HG2 VAL 94 -26.114 37.368 -20.631 697 H GLU 95 H GLU 95 -27.592 35.957 -22.210 698 HA GLU 95 HA GLU 95 -29.707 36.158 -20.250 699 1HB GLU 95 2HB GLU 95 -30.756 37.687 -21.824 700 2HB GLU 95 1HB GLU 95 -29.062 38.108 -21.617 701 1HG GLU 95 2HG GLU 95 -28.588 36.840 -23.725 702 2HG GLU 95 1HG GLU 95 -30.330 36.703 -23.951 703 H GLN 96 H GLN 96 -28.940 34.173 -22.943 704 HA GLN 96 HA GLN 96 -31.644 33.482 -23.604 705 1HB GLN 96 2HB GLN 96 -29.052 33.150 -24.761 706 2HB GLN 96 1HB GLN 96 -29.824 31.572 -24.661 707 1HG GLN 96 2HG GLN 96 -31.568 32.194 -26.054 708 2HG GLN 96 1HG GLN 96 -31.305 33.916 -25.780 709 1HE2 GLN 96 1HE2 GLN 96 -31.036 34.574 -27.841 710 2HE2 GLN 96 2HE2 GLN 96 -29.755 34.046 -28.874 711 H LEU 97 H LEU 97 -29.130 32.065 -21.602 712 HA LEU 97 HA LEU 97 -30.568 29.594 -21.368 713 1HB LEU 97 2HB LEU 97 -28.845 29.589 -19.220 714 2HB LEU 97 1HB LEU 97 -28.559 28.877 -20.781 715 HG LEU 97 HG LEU 97 -26.633 30.127 -20.088 716 1HD1 LEU 97 1HD1 LEU 97 -26.266 30.673 -22.187 717 2HD1 LEU 97 2HD1 LEU 97 -27.262 32.113 -22.008 718 3HD1 LEU 97 3HD1 LEU 97 -27.996 30.591 -22.513 719 1HD2 LEU 97 1HD2 LEU 97 -28.209 32.641 -20.101 720 2HD2 LEU 97 2HD2 LEU 97 -26.634 32.317 -19.382 721 3HD2 LEU 97 3HD2 LEU 97 -28.093 31.660 -18.646 722 H LYS 98 H LYS 98 -29.943 32.342 -19.231 723 HA LYS 98 HA LYS 98 -31.532 31.458 -17.094 724 1HB LYS 98 2HB LYS 98 -31.528 33.827 -16.378 725 2HB LYS 98 1HB LYS 98 -29.928 33.238 -16.795 726 1HG LYS 98 2HG LYS 98 -30.242 34.298 -19.052 727 2HG LYS 98 1HG LYS 98 -31.693 35.061 -18.398 728 1HD LYS 98 2HD LYS 98 -29.683 36.517 -18.297 729 2HD LYS 98 1HD LYS 98 -30.400 36.201 -16.717 730 1HE LYS 98 2HE LYS 98 -28.541 35.217 -15.968 731 2HE LYS 98 1HE LYS 98 -28.392 34.226 -17.421 732 1HZ LYS 98 1HZ LYS 98 -27.499 36.308 -18.514 733 2HZ LYS 98 2HZ LYS 98 -26.492 35.568 -17.374 734 3HZ LYS 98 3HZ LYS 98 -27.358 36.961 -16.960 735 H ALA 99 H ALA 99 -32.367 33.014 -20.122 736 HA ALA 99 HA ALA 99 -35.026 33.688 -19.214 737 1HB ALA 99 1HB ALA 99 -35.382 34.623 -21.393 738 2HB ALA 99 2HB ALA 99 -33.934 33.827 -22.010 739 3HB ALA 99 3HB ALA 99 -33.789 35.119 -20.818 740 H GLN 100 H GLN 100 -33.507 31.167 -20.980 741 HA GLN 100 HA GLN 100 -36.032 30.033 -21.843 742 1HB GLN 100 2HB GLN 100 -33.687 29.972 -23.063 743 2HB GLN 100 1HB GLN 100 -33.468 28.530 -22.085 744 1HG GLN 100 2HG GLN 100 -35.978 28.182 -23.142 745 2HG GLN 100 1HG GLN 100 -35.092 28.956 -24.456 746 1HE2 GLN 100 1HE2 GLN 100 -32.969 27.977 -24.983 747 2HE2 GLN 100 2HE2 GLN 100 -32.833 26.257 -24.908 748 H LEU 101 H LEU 101 -33.712 29.613 -19.283 749 HA LEU 101 HA LEU 101 -34.462 27.013 -18.476 750 1HB LEU 101 2HB LEU 101 -33.031 29.303 -17.233 751 2HB LEU 101 1HB LEU 101 -33.695 28.109 -16.138 752 HG LEU 101 HG LEU 101 -31.516 27.793 -18.170 753 1HD1 LEU 101 1HD1 LEU 101 -30.548 28.306 -16.170 754 2HD1 LEU 101 2HD1 LEU 101 -30.604 26.548 -16.058 755 3HD1 LEU 101 3HD1 LEU 101 -31.815 27.523 -15.228 756 1HD2 LEU 101 1HD2 LEU 101 -33.475 25.764 -17.381 757 2HD2 LEU 101 2HD2 LEU 101 -31.796 25.281 -17.146 758 3HD2 LEU 101 3HD2 LEU 101 -32.352 25.786 -18.740 759 H THR 102 H THR 102 -35.507 30.233 -17.458 760 HA THR 102 HA THR 102 -37.435 29.292 -15.593 761 HB THR 102 HB THR 102 -38.275 31.820 -16.370 762 HG1 THR 102 1HG THR 102 -36.484 32.071 -17.719 763 1HG2 THR 102 1HG2 THR 102 -36.892 32.620 -14.431 764 2HG2 THR 102 2HG2 THR 102 -36.316 30.959 -14.274 765 3HG2 THR 102 3HG2 THR 102 -38.033 31.319 -14.091 766 H GLU 103 H GLU 103 -37.445 30.106 -18.995 767 HA GLU 103 HA GLU 103 -40.268 29.999 -19.280 768 1HB GLU 103 2HB GLU 103 -37.948 30.277 -21.079 769 2HB GLU 103 1HB GLU 103 -39.376 29.548 -21.800 770 1HG GLU 103 2HG GLU 103 -40.057 31.895 -20.265 771 2HG GLU 103 1HG GLU 103 -38.845 32.253 -21.494 772 H ARG 104 H ARG 104 -37.956 27.620 -18.841 773 HA ARG 104 HA ARG 104 -39.701 25.579 -20.054 774 1HB ARG 104 2HB ARG 104 -37.799 24.114 -20.206 775 2HB ARG 104 1HB ARG 104 -37.376 25.658 -20.932 776 1HG ARG 104 2HG ARG 104 -36.191 26.281 -18.878 777 2HG ARG 104 1HG ARG 104 -36.579 24.704 -18.190 778 1HD ARG 104 2HD ARG 104 -34.981 25.174 -20.705 779 2HD ARG 104 1HD ARG 104 -34.301 24.794 -19.124 780 HE ARG 104 HE ARG 104 -35.565 22.969 -20.961 781 1HH1 ARG 104 1HH1 ARG 104 -34.658 23.537 -17.639 782 2HH1 ARG 104 2HH1 ARG 104 -34.639 21.855 -17.226 783 1HH2 ARG 104 1HH2 ARG 104 -35.537 20.757 -20.420 784 2HH2 ARG 104 2HH2 ARG 104 -35.136 20.277 -18.805 785 H GLY 105 H GLY 105 -38.597 26.862 -17.106 786 1HA GLY 105 2HA GLY 105 -39.324 26.323 -14.974 787 2HA GLY 105 1HA GLY 105 -40.109 24.898 -15.635 788 H ILE 106 H ILE 106 -37.032 26.223 -14.533 789 HA ILE 106 HA ILE 106 -36.162 23.465 -13.966 790 HB ILE 106 HB ILE 106 -34.877 24.434 -15.854 791 1HG1 ILE 106 2HG1 ILE 106 -32.668 23.855 -14.984 792 2HG1 ILE 106 1HG1 ILE 106 -33.246 24.052 -13.332 793 1HG2 ILE 106 1HG2 ILE 106 -34.956 26.775 -15.191 794 2HG2 ILE 106 2HG2 ILE 106 -33.291 26.245 -15.419 795 3HG2 ILE 106 3HG2 ILE 106 -33.940 26.426 -13.792 796 1HD1 ILE 106 1HD1 ILE 106 -34.675 22.151 -13.540 797 2HD1 ILE 106 2HD1 ILE 106 -33.061 21.696 -14.084 798 3HD1 ILE 106 3HD1 ILE 106 -34.331 22.020 -15.264 799 H THR 107 H THR 107 -35.935 26.877 -13.045 800 HA THR 107 HA THR 107 -35.772 27.862 -10.994 801 HB THR 107 HB THR 107 -35.548 25.309 -9.494 802 HG1 THR 107 1HG THR 107 -37.875 26.064 -10.923 803 1HG2 THR 107 1HG2 THR 107 -37.241 26.345 -8.073 804 2HG2 THR 107 2HG2 THR 107 -37.312 27.724 -9.169 805 3HG2 THR 107 3HG2 THR 107 -35.830 27.382 -8.276 806 H PHE 108 H PHE 108 -33.729 28.647 -11.465 807 HA PHE 108 HA PHE 108 -31.480 27.073 -10.397 808 1HB PHE 108 2HB PHE 108 -30.021 28.201 -11.958 809 2HB PHE 108 1HB PHE 108 -31.374 27.509 -12.844 810 HD1 PHE 108 2HD PHE 108 -33.367 29.118 -13.308 811 HD2 PHE 108 1HD PHE 108 -29.434 30.402 -12.305 812 HE1 PHE 108 2HE PHE 108 -33.837 31.319 -14.301 813 HE2 PHE 108 1HE PHE 108 -29.898 32.605 -13.295 814 HZ PHE 108 HZ PHE 108 -32.101 33.066 -14.295 815 H LYS 109 H LYS 109 -30.121 27.982 -8.934 816 HA LYS 109 HA LYS 109 -30.013 30.779 -8.404 817 1HB LYS 109 2HB LYS 109 -32.047 29.275 -7.061 818 2HB LYS 109 1HB LYS 109 -30.849 29.782 -5.880 819 1HG LYS 109 2HG LYS 109 -31.160 32.091 -7.194 820 2HG LYS 109 1HG LYS 109 -32.756 31.386 -7.459 821 1HD LYS 109 2HD LYS 109 -33.112 32.473 -5.471 822 2HD LYS 109 1HD LYS 109 -32.603 30.890 -4.879 823 1HE LYS 109 2HE LYS 109 -30.210 32.118 -5.119 824 2HE LYS 109 1HE LYS 109 -31.239 33.499 -4.742 825 1HZ LYS 109 1HZ LYS 109 -30.146 31.949 -2.891 826 2HZ LYS 109 2HZ LYS 109 -31.615 31.136 -3.094 827 3HZ LYS 109 3HZ LYS 109 -31.608 32.770 -2.658 828 H GLN 110 H GLN 110 -29.492 27.525 -7.107 829 HA GLN 110 HA GLN 110 -26.795 28.378 -6.290 830 1HB GLN 110 2HB GLN 110 -28.284 28.093 -4.322 831 2HB GLN 110 1HB GLN 110 -28.555 26.422 -4.799 832 1HG GLN 110 2HG GLN 110 -25.735 27.044 -4.613 833 2HG GLN 110 1HG GLN 110 -26.586 27.368 -3.104 834 1HE2 GLN 110 1HE2 GLN 110 -24.856 25.116 -4.626 835 2HE2 GLN 110 2HE2 GLN 110 -25.527 23.679 -3.942 836 H SER 111 H SER 111 -27.815 27.046 -8.732 837 HA SER 111 HA SER 111 -25.821 24.996 -8.880 838 1HB SER 111 2HB SER 111 -27.751 23.364 -9.764 839 2HB SER 111 1HB SER 111 -27.246 23.392 -8.074 840 HG SER 111 HG SER 111 -29.608 23.589 -8.650 841 H ALA 112 H ALA 112 -26.563 27.489 -10.208 842 HA ALA 112 HA ALA 112 -25.985 26.799 -12.853 843 1HB ALA 112 1HB ALA 112 -28.479 27.856 -13.463 844 2HB ALA 112 2HB ALA 112 -28.795 26.677 -12.190 845 3HB ALA 112 3HB ALA 112 -27.960 26.182 -13.662 846 H THR 113 H THR 113 -24.694 28.553 -11.517 847 HA THR 113 HA THR 113 -25.664 31.163 -11.315 848 HB THR 113 HB THR 113 -22.971 31.495 -11.786 849 HG1 THR 113 1HG THR 113 -22.096 29.603 -11.723 850 1HG2 THR 113 1HG2 THR 113 -22.909 32.084 -9.643 851 2HG2 THR 113 2HG2 THR 113 -23.532 30.526 -9.097 852 3HG2 THR 113 3HG2 THR 113 -24.644 31.774 -9.660 853 H LYS 114 H LYS 114 -23.043 30.480 -13.606 854 HA LYS 114 HA LYS 114 -24.644 31.657 -15.739 855 1HB LYS 114 2HB LYS 114 -22.567 33.027 -16.382 856 2HB LYS 114 1HB LYS 114 -23.551 33.601 -15.043 857 1HG LYS 114 2HG LYS 114 -21.960 32.518 -13.477 858 2HG LYS 114 1HG LYS 114 -20.943 32.110 -14.860 859 1HD LYS 114 2HD LYS 114 -20.041 34.098 -13.958 860 2HD LYS 114 1HD LYS 114 -20.925 34.582 -15.406 861 1HE LYS 114 2HE LYS 114 -22.892 34.892 -13.672 862 2HE LYS 114 1HE LYS 114 -21.554 35.065 -12.537 863 1HZ LYS 114 1HZ LYS 114 -22.562 37.087 -13.931 864 2HZ LYS 114 2HZ LYS 114 -21.343 36.598 -14.997 865 3HZ LYS 114 3HZ LYS 114 -20.953 37.036 -13.410 866 H ALA 115 H ALA 115 -21.603 30.075 -14.892 867 HA ALA 115 HA ALA 115 -21.173 29.235 -17.613 868 1HB ALA 115 1HB ALA 115 -19.361 29.709 -15.869 869 2HB ALA 115 2HB ALA 115 -19.168 28.269 -16.868 870 3HB ALA 115 3HB ALA 115 -19.755 28.120 -15.211 871 H GLU 116 H GLU 116 -22.767 28.048 -14.805 872 HA GLU 116 HA GLU 116 -22.877 25.315 -15.758 873 1HB GLU 116 2HB GLU 116 -24.247 26.596 -13.397 874 2HB GLU 116 1HB GLU 116 -24.172 24.874 -13.731 875 1HG GLU 116 2HG GLU 116 -21.609 26.344 -13.532 876 2HG GLU 116 1HG GLU 116 -22.522 26.081 -12.048 877 H LEU 117 H LEU 117 -25.030 28.117 -15.557 878 HA LEU 117 HA LEU 117 -27.296 26.581 -16.438 879 1HB LEU 117 2HB LEU 117 -28.583 28.374 -15.968 880 2HB LEU 117 1HB LEU 117 -27.207 28.785 -14.991 881 HG LEU 117 HG LEU 117 -28.156 30.059 -17.525 882 1HD1 LEU 117 1HD1 LEU 117 -29.022 31.199 -15.749 883 2HD1 LEU 117 2HD1 LEU 117 -27.488 32.046 -15.941 884 3HD1 LEU 117 3HD1 LEU 117 -27.663 30.815 -14.693 885 1HD2 LEU 117 1HD2 LEU 117 -25.887 31.403 -17.044 886 2HD2 LEU 117 2HD2 LEU 117 -26.007 30.097 -18.217 887 3HD2 LEU 117 3HD2 LEU 117 -25.369 29.776 -16.604 888 H ILE 118 H ILE 118 -24.721 28.211 -18.009 889 HA ILE 118 HA ILE 118 -26.175 28.402 -20.511 890 HB ILE 118 HB ILE 118 -24.483 30.101 -20.024 891 1HG1 ILE 118 2HG1 ILE 118 -25.055 29.221 -22.384 892 2HG1 ILE 118 1HG1 ILE 118 -23.650 30.262 -22.198 893 1HG2 ILE 118 1HG2 ILE 118 -22.913 28.651 -18.767 894 2HG2 ILE 118 2HG2 ILE 118 -22.135 29.659 -19.983 895 3HG2 ILE 118 3HG2 ILE 118 -22.399 27.948 -20.302 896 1HD1 ILE 118 1HD1 ILE 118 -23.775 27.747 -23.402 897 2HD1 ILE 118 2HD1 ILE 118 -22.890 27.511 -21.894 898 3HD1 ILE 118 3HD1 ILE 118 -22.336 28.708 -23.064 899 H ALA 119 H ALA 119 -24.078 26.196 -18.856 900 HA ALA 119 HA ALA 119 -23.568 24.590 -21.219 901 1HB ALA 119 1HB ALA 119 -22.646 23.076 -19.189 902 2HB ALA 119 2HB ALA 119 -22.563 24.675 -18.451 903 3HB ALA 119 3HB ALA 119 -21.710 24.357 -19.961 904 H LEU 120 H LEU 120 -25.587 24.568 -18.359 905 HA LEU 120 HA LEU 120 -26.455 21.974 -18.237 906 1HB LEU 120 2HB LEU 120 -27.234 24.406 -17.131 907 2HB LEU 120 1HB LEU 120 -28.683 23.794 -17.901 908 HG LEU 120 HG LEU 120 -28.198 21.603 -16.641 909 1HD1 LEU 120 1HD1 LEU 120 -26.638 21.519 -15.017 910 2HD1 LEU 120 2HD1 LEU 120 -26.848 23.214 -14.578 911 3HD1 LEU 120 3HD1 LEU 120 -25.871 22.782 -15.981 912 1HD2 LEU 120 1HD2 LEU 120 -29.815 23.686 -16.121 913 2HD2 LEU 120 2HD2 LEU 120 -28.838 23.684 -14.653 914 3HD2 LEU 120 3HD2 LEU 120 -29.736 22.238 -15.116 915 H PHE 121 H PHE 121 -27.774 24.542 -20.324 916 HA PHE 121 HA PHE 121 -29.895 23.125 -21.414 917 1HB PHE 121 2HB PHE 121 -28.162 25.317 -22.513 918 2HB PHE 121 1HB PHE 121 -29.448 24.606 -23.487 919 HD1 PHE 121 2HD PHE 121 -31.795 24.848 -22.810 920 HD2 PHE 121 1HD PHE 121 -28.641 26.728 -20.672 921 HE1 PHE 121 2HE PHE 121 -33.423 26.317 -21.707 922 HE2 PHE 121 1HE PHE 121 -30.261 28.190 -19.562 923 HZ PHE 121 HZ PHE 121 -32.652 27.992 -20.081 924 H ALA 122 H ALA 122 -29.267 20.975 -21.715 925 HA ALA 122 HA ALA 122 -27.687 20.513 -24.158 926 1HB ALA 122 1HB ALA 122 -27.548 19.071 -21.533 927 2HB ALA 122 2HB ALA 122 -26.239 19.762 -22.489 928 3HB ALA 122 3HB ALA 122 -27.049 18.294 -23.035 929 HA PRO 123 HA PRO 123 -31.133 18.240 -25.697 930 1HB PRO 123 2HB PRO 123 -29.881 16.241 -27.079 931 2HB PRO 123 1HB PRO 123 -30.013 17.902 -27.665 932 1HG PRO 123 2HG PRO 123 -27.718 16.552 -26.297 933 2HG PRO 123 1HG PRO 123 -27.703 17.654 -27.686 934 1HD PRO 123 2HD PRO 123 -27.076 18.486 -25.202 935 2HD PRO 123 1HD PRO 123 -27.926 19.535 -26.357 936 H ALA 124 H ALA 124 -31.964 17.454 -23.720 937 HA ALA 124 HA ALA 124 -31.344 14.620 -23.223 938 1HB ALA 124 1HB ALA 124 -31.429 16.875 -21.291 939 2HB ALA 124 2HB ALA 124 -30.375 15.462 -21.337 940 3HB ALA 124 3HB ALA 124 -32.036 15.304 -20.765 941 H ASP 125 H ASP 125 -33.063 13.289 -22.927 942 HA ASP 125 HA ASP 125 -35.212 12.549 -22.986 943 1HB ASP 125 2HB ASP 125 -35.178 14.081 -20.867 944 2HB ASP 125 1HB ASP 125 -36.159 15.160 -21.854 945 H GLY 126 H GLY 126 -37.324 12.860 -24.022 946 1HA GLY 126 2HA GLY 126 -38.383 14.852 -25.426 947 2HA GLY 126 1HA GLY 126 -37.011 14.449 -26.447 948 H GLU 127 H GLU 127 -39.170 12.334 -24.582 949 HA GLU 127 HA GLU 127 -39.494 10.607 -26.867 950 1HB GLU 127 2HB GLU 127 -40.818 10.467 -24.152 951 2HB GLU 127 1HB GLU 127 -40.786 9.189 -25.358 952 1HG GLU 127 2HG GLU 127 -38.217 10.293 -24.331 953 2HG GLU 127 1HG GLU 127 -39.136 9.157 -23.344 954 H LYS 128 H LYS 128 -41.775 9.784 -27.352 955 HA LYS 128 HA LYS 128 -43.898 11.718 -27.048 956 1HB LYS 128 2HB LYS 128 -42.344 12.320 -29.091 957 2HB LYS 128 1HB LYS 128 -43.239 11.029 -29.881 958 1HG LYS 128 2HG LYS 128 -44.554 12.775 -30.467 959 2HG LYS 128 1HG LYS 128 -45.304 12.386 -28.916 960 1HD LYS 128 2HD LYS 128 -43.420 14.062 -28.049 961 2HD LYS 128 1HD LYS 128 -43.605 14.692 -29.687 962 1HE LYS 128 2HE LYS 128 -46.013 14.940 -29.314 963 2HE LYS 128 1HE LYS 128 -45.822 14.314 -27.676 964 1HZ LYS 128 1HZ LYS 128 -44.074 16.293 -27.612 965 2HZ LYS 128 2HZ LYS 128 -45.705 16.507 -27.218 966 3HZ LYS 128 3HZ LYS 128 -45.145 16.932 -28.756 967 H SER 129 H SER 129 -42.846 8.885 -28.933 968 HA SER 129 HA SER 129 -45.425 7.807 -29.294 969 1HB SER 129 2HB SER 129 -43.073 5.979 -29.136 970 2HB SER 129 1HB SER 129 -44.372 6.039 -30.326 971 HG SER 129 HG SER 129 -43.370 8.072 -31.023 972 H GLU 130 H GLU 130 -46.750 6.919 -27.866 973 HA GLU 130 HA GLU 130 -45.707 5.268 -25.716 974 1HB GLU 130 2HB GLU 130 -46.294 7.941 -25.210 975 2HB GLU 130 1HB GLU 130 -47.722 7.079 -24.654 976 1HG GLU 130 2HG GLU 130 -46.302 5.651 -23.256 977 2HG GLU 130 1HG GLU 130 -44.887 6.555 -23.792 978 H ALA 131 H ALA 131 -46.754 3.490 -26.483 979 HA ALA 131 HA ALA 131 -49.672 3.665 -26.818 980 1HB ALA 131 1HB ALA 131 -49.560 2.134 -28.471 981 2HB ALA 131 2HB ALA 131 -48.280 1.215 -27.680 982 3HB ALA 131 3HB ALA 131 -47.886 2.681 -28.577 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 8.023 7.542 24.267 2 2H GLY 1 2HT GLY 1 7.120 8.712 23.444 3 3H GLY 1 3HT GLY 1 7.800 9.074 24.951 4 1HA GLY 1 1HA GLY 1 8.962 9.959 22.864 5 2HA GLY 1 2HA GLY 1 9.934 9.234 24.136 6 H SER 2 H SER 2 11.603 8.607 22.790 7 HA SER 2 HA SER 2 10.932 6.606 20.738 8 1HB SER 2 2HB SER 2 13.140 8.621 20.964 9 2HB SER 2 1HB SER 2 13.402 7.148 20.030 10 HG SER 2 HG SER 2 11.157 8.822 19.629 11 H HIS 3 H HIS 3 11.067 4.638 21.621 12 HA HIS 3 HA HIS 3 13.339 4.052 23.395 13 1HB HIS 3 2HB HIS 3 11.920 2.003 24.000 14 2HB HIS 3 1HB HIS 3 11.363 3.570 24.577 15 HD1 HIS 3 1HD HIS 3 10.320 0.667 22.619 16 HD2 HIS 3 2HD HIS 3 9.133 4.627 23.036 17 HE1 HIS 3 1HE HIS 3 8.016 0.786 21.621 18 HE2 HIS 3 2HE HIS 3 7.278 3.169 21.976 19 H MET 4 H MET 4 14.328 1.925 23.207 20 HA MET 4 HA MET 4 15.632 0.552 21.922 21 1HB MET 4 2HB MET 4 14.274 -1.080 20.579 22 2HB MET 4 1HB MET 4 13.786 -0.910 22.258 23 1HG MET 4 2HG MET 4 11.959 0.579 21.548 24 2HG MET 4 1HG MET 4 12.428 0.320 19.870 25 1HE MET 4 1HE MET 4 11.633 -3.428 19.298 26 2HE MET 4 2HE MET 4 13.186 -2.876 19.928 27 3HE MET 4 3HE MET 4 12.368 -1.954 18.667 28 H ASP 5 H ASP 5 16.811 2.056 20.720 29 HA ASP 5 HA ASP 5 15.855 3.121 18.248 30 1HB ASP 5 2HB ASP 5 17.925 3.736 19.954 31 2HB ASP 5 1HB ASP 5 18.769 3.024 18.581 32 H LYS 6 H LYS 6 15.483 1.859 16.545 33 HA LYS 6 HA LYS 6 17.616 0.164 15.552 34 1HB LYS 6 2HB LYS 6 15.516 -0.960 17.051 35 2HB LYS 6 1HB LYS 6 15.164 -1.346 15.372 36 1HG LYS 6 2HG LYS 6 17.475 -2.252 15.166 37 2HG LYS 6 1HG LYS 6 17.669 -2.004 16.903 38 1HD LYS 6 2HD LYS 6 15.218 -3.411 16.372 39 2HD LYS 6 1HD LYS 6 16.571 -4.236 15.597 40 1HE LYS 6 2HE LYS 6 17.696 -3.770 17.959 41 2HE LYS 6 1HE LYS 6 16.011 -3.782 18.475 42 1HZ LYS 6 1HZ LYS 6 17.226 -5.960 16.871 43 2HZ LYS 6 2HZ LYS 6 15.738 -5.975 17.676 44 3HZ LYS 6 3HZ LYS 6 17.179 -5.975 18.563 45 H THR 7 H THR 7 17.798 1.289 13.685 46 HA THR 7 HA THR 7 15.455 2.026 12.150 47 HB THR 7 HB THR 7 17.853 2.417 10.657 48 HG1 THR 7 1HG THR 7 19.250 3.119 12.064 49 1HG2 THR 7 1HG2 THR 7 16.745 4.677 12.171 50 2HG2 THR 7 2HG2 THR 7 15.623 3.818 11.115 51 3HG2 THR 7 3HG2 THR 7 17.102 4.515 10.451 52 H PHE 8 H PHE 8 14.718 1.043 10.344 53 HA PHE 8 HA PHE 8 16.315 -1.064 9.110 54 1HB PHE 8 2HB PHE 8 14.158 -2.509 9.116 55 2HB PHE 8 1HB PHE 8 15.181 -2.478 10.546 56 HD1 PHE 8 1HD PHE 8 13.057 0.415 9.808 57 HD2 PHE 8 2HD PHE 8 13.334 -3.291 11.889 58 HE1 PHE 8 1HE PHE 8 11.126 1.045 11.185 59 HE2 PHE 8 2HE PHE 8 11.400 -2.662 13.270 60 HZ PHE 8 HZ PHE 8 10.294 -0.492 12.920 61 H CYS 9 H CYS 9 15.806 -1.564 7.010 62 HA CYS 9 HA CYS 9 14.047 0.358 5.662 63 1HB CYS 9 2HB CYS 9 15.164 -0.492 3.582 64 2HB CYS 9 1HB CYS 9 16.278 0.242 4.729 65 HG CYS 9 HG CYS 9 16.402 -2.596 3.736 66 H VAL 10 H VAL 10 12.036 -0.328 5.161 67 HA VAL 10 HA VAL 10 11.573 -3.233 4.998 68 HB VAL 10 HB VAL 10 10.288 -1.365 6.564 69 1HG1 VAL 10 1HG1 VAL 10 7.955 -1.310 5.747 70 2HG1 VAL 10 2HG1 VAL 10 8.498 -1.996 4.221 71 3HG1 VAL 10 3HG1 VAL 10 9.065 -0.403 4.720 72 1HG2 VAL 10 1HG2 VAL 10 9.406 -3.199 7.475 73 2HG2 VAL 10 2HG2 VAL 10 10.351 -4.069 6.272 74 3HG2 VAL 10 3HG2 VAL 10 8.655 -3.702 5.962 75 H VAL 11 H VAL 11 10.185 -4.070 3.410 76 HA VAL 11 HA VAL 11 9.572 -2.284 1.180 77 HB VAL 11 HB VAL 11 11.640 -3.336 0.599 78 1HG1 VAL 11 1HG1 VAL 11 11.800 -5.806 0.395 79 2HG1 VAL 11 2HG1 VAL 11 10.249 -5.924 1.225 80 3HG1 VAL 11 3HG1 VAL 11 11.641 -5.218 2.050 81 1HG2 VAL 11 1HG2 VAL 11 9.224 -3.687 -0.891 82 2HG2 VAL 11 2HG2 VAL 11 10.309 -5.041 -1.209 83 3HG2 VAL 11 3HG2 VAL 11 10.858 -3.388 -1.481 84 H VAL 12 H VAL 12 7.562 -2.475 0.498 85 HA VAL 12 HA VAL 12 5.924 -4.677 1.502 86 HB VAL 12 HB VAL 12 4.024 -3.259 0.599 87 1HG1 VAL 12 1HG1 VAL 12 4.472 -1.443 2.414 88 2HG1 VAL 12 2HG1 VAL 12 5.880 -2.437 2.784 89 3HG1 VAL 12 3HG1 VAL 12 4.262 -3.129 2.887 90 1HG2 VAL 12 1HG2 VAL 12 4.372 -1.319 -0.465 91 2HG2 VAL 12 2HG2 VAL 12 6.004 -1.929 -0.740 92 3HG2 VAL 12 3HG2 VAL 12 5.683 -0.850 0.618 93 H GLN 13 H GLN 13 5.990 -6.423 0.198 94 HA GLN 13 HA GLN 13 5.961 -6.099 -2.696 95 1HB GLN 13 2HB GLN 13 7.277 -7.887 -1.268 96 2HB GLN 13 1HB GLN 13 5.752 -8.761 -1.345 97 1HG GLN 13 2HG GLN 13 5.932 -9.167 -3.574 98 2HG GLN 13 1HG GLN 13 6.860 -7.699 -3.881 99 1HE2 GLN 13 1HE2 GLN 13 9.068 -7.731 -3.689 100 2HE2 GLN 13 2HE2 GLN 13 9.977 -9.189 -3.500 101 H ASN 14 H ASN 14 4.005 -5.592 -3.506 102 HA ASN 14 HA ASN 14 1.629 -6.825 -2.325 103 1HB ASN 14 2HB ASN 14 0.502 -5.198 -4.073 104 2HB ASN 14 1HB ASN 14 1.088 -4.598 -2.530 105 1HD2 ASN 14 1HD2 ASN 14 1.079 -4.126 -5.790 106 2HD2 ASN 14 2HD2 ASN 14 2.463 -3.104 -5.938 107 H ARG 15 H ARG 15 0.176 -7.998 -3.423 108 HA ARG 15 HA ARG 15 0.683 -8.673 -6.223 109 1HB ARG 15 2HB ARG 15 1.532 -10.380 -4.277 110 2HB ARG 15 1HB ARG 15 -0.117 -10.946 -4.501 111 1HG ARG 15 2HG ARG 15 0.300 -11.307 -6.862 112 2HG ARG 15 1HG ARG 15 1.936 -10.670 -6.687 113 1HD ARG 15 2HD ARG 15 2.717 -12.583 -5.807 114 2HD ARG 15 1HD ARG 15 1.273 -12.836 -4.826 115 HE ARG 15 HE ARG 15 1.812 -13.915 -7.438 116 1HH1 ARG 15 1HH1 ARG 15 -0.677 -13.072 -5.141 117 2HH1 ARG 15 2HH1 ARG 15 -1.835 -14.176 -5.802 118 1HH2 ARG 15 1HH2 ARG 15 0.289 -15.368 -8.309 119 2HH2 ARG 15 2HH2 ARG 15 -1.288 -15.479 -7.600 120 H ILE 16 H ILE 16 -1.177 -6.965 -4.965 121 HA ILE 16 HA ILE 16 -3.687 -8.275 -4.633 122 HB ILE 16 HB ILE 16 -3.159 -5.326 -4.987 123 1HG1 ILE 16 2HG1 ILE 16 -3.586 -5.859 -2.289 124 2HG1 ILE 16 1HG1 ILE 16 -2.517 -7.155 -2.815 125 1HG2 ILE 16 1HG2 ILE 16 -5.547 -6.590 -4.997 126 2HG2 ILE 16 2HG2 ILE 16 -5.293 -4.942 -4.423 127 3HG2 ILE 16 3HG2 ILE 16 -5.340 -6.277 -3.274 128 1HD1 ILE 16 1HD1 ILE 16 -0.829 -5.753 -2.552 129 2HD1 ILE 16 2HD1 ILE 16 -1.927 -4.400 -2.277 130 3HD1 ILE 16 3HD1 ILE 16 -1.451 -4.829 -3.920 131 H LYS 17 H LYS 17 -2.662 -5.826 -7.078 132 HA LYS 17 HA LYS 17 -3.606 -7.236 -9.293 133 1HB LYS 17 2HB LYS 17 -5.717 -5.814 -9.682 134 2HB LYS 17 1HB LYS 17 -5.819 -7.158 -8.551 135 1HG LYS 17 2HG LYS 17 -5.471 -5.564 -6.695 136 2HG LYS 17 1HG LYS 17 -5.514 -4.246 -7.868 137 1HD LYS 17 2HD LYS 17 -7.705 -4.274 -7.161 138 2HD LYS 17 1HD LYS 17 -7.791 -5.345 -8.561 139 1HE LYS 17 2HE LYS 17 -7.638 -7.288 -7.114 140 2HE LYS 17 1HE LYS 17 -7.459 -6.247 -5.702 141 1HZ LYS 17 1HZ LYS 17 -9.812 -5.779 -7.342 142 2HZ LYS 17 2HZ LYS 17 -9.648 -5.782 -5.658 143 3HZ LYS 17 3HZ LYS 17 -9.785 -7.244 -6.496 144 H GLU 18 H GLU 18 -1.523 -5.330 -8.524 145 HA GLU 18 HA GLU 18 -0.403 -3.518 -9.332 146 1HB GLU 18 2HB GLU 18 -1.779 -3.568 -11.945 147 2HB GLU 18 1HB GLU 18 -0.063 -3.591 -11.578 148 1HG GLU 18 2HG GLU 18 -1.087 -6.070 -10.732 149 2HG GLU 18 1HG GLU 18 -1.791 -5.744 -12.313 150 H GLY 19 H GLY 19 -3.088 -3.062 -8.127 151 1HA GLY 19 2HA GLY 19 -3.246 -0.285 -8.545 152 2HA GLY 19 1HA GLY 19 -4.496 -1.065 -9.502 153 H TYR 20 H TYR 20 -3.221 -0.763 -6.216 154 HA TYR 20 HA TYR 20 -5.937 -0.745 -5.193 155 1HB TYR 20 2HB TYR 20 -5.150 -3.156 -5.227 156 2HB TYR 20 1HB TYR 20 -3.938 -2.690 -4.038 157 HD1 TYR 20 2HD TYR 20 -7.585 -2.920 -4.639 158 HD2 TYR 20 1HD TYR 20 -4.493 -2.495 -1.747 159 HE1 TYR 20 2HE TYR 20 -9.225 -3.274 -2.841 160 HE2 TYR 20 1HE TYR 20 -6.125 -2.849 0.059 161 HH TYR 20 HH TYR 20 -9.285 -3.993 -0.517 162 H ARG 21 H ARG 21 -3.819 1.189 -5.427 163 HA ARG 21 HA ARG 21 -2.871 2.868 -4.222 164 1HB ARG 21 2HB ARG 21 -4.706 1.786 -2.086 165 2HB ARG 21 1HB ARG 21 -3.805 3.288 -1.943 166 1HG ARG 21 2HG ARG 21 -6.112 2.631 -3.720 167 2HG ARG 21 1HG ARG 21 -5.917 3.967 -2.587 168 1HD ARG 21 2HD ARG 21 -4.066 4.800 -4.107 169 2HD ARG 21 1HD ARG 21 -4.627 3.610 -5.282 170 HE ARG 21 HE ARG 21 -5.831 6.121 -4.682 171 1HH1 ARG 21 1HH1 ARG 21 -6.554 2.847 -5.650 172 2HH1 ARG 21 2HH1 ARG 21 -8.025 3.278 -6.455 173 1HH2 ARG 21 1HH2 ARG 21 -7.764 6.689 -5.740 174 2HH2 ARG 21 2HH2 ARG 21 -8.712 5.459 -6.506 175 H ARG 22 H ARG 22 -1.598 3.364 -2.182 176 HA ARG 22 HA ARG 22 -0.579 1.394 -0.521 177 1HB ARG 22 2HB ARG 22 0.346 0.824 -2.968 178 2HB ARG 22 1HB ARG 22 1.574 1.984 -2.482 179 1HG ARG 22 2HG ARG 22 0.823 -0.364 -0.773 180 2HG ARG 22 1HG ARG 22 2.060 -0.458 -2.028 181 1HD ARG 22 2HD ARG 22 2.113 1.608 0.155 182 2HD ARG 22 1HD ARG 22 2.864 0.023 0.329 183 HE ARG 22 HE ARG 22 3.892 0.992 -1.996 184 1HH1 ARG 22 1HH1 ARG 22 3.726 2.191 1.278 185 2HH1 ARG 22 2HH1 ARG 22 5.202 3.090 1.157 186 1HH2 ARG 22 1HH2 ARG 22 5.832 2.175 -2.158 187 2HH2 ARG 22 2HH2 ARG 22 6.397 3.082 -0.795 188 H ALA 23 H ALA 23 1.142 3.869 -2.421 189 HA ALA 23 HA ALA 23 1.785 5.240 0.102 190 1HB ALA 23 1HB ALA 23 3.144 5.787 -2.513 191 2HB ALA 23 2HB ALA 23 3.601 4.396 -1.527 192 3HB ALA 23 3HB ALA 23 3.748 6.027 -0.872 193 H GLY 24 H GLY 24 -0.622 5.418 -1.900 194 1HA GLY 24 2HA GLY 24 -2.077 7.360 -1.788 195 2HA GLY 24 1HA GLY 24 -0.645 8.369 -1.957 196 H PHE 25 H PHE 25 -1.098 5.468 -3.810 197 HA PHE 25 HA PHE 25 -2.286 6.642 -6.096 198 1HB PHE 25 2HB PHE 25 -0.444 6.919 -7.544 199 2HB PHE 25 1HB PHE 25 0.063 7.670 -6.037 200 HD1 PHE 25 1HD PHE 25 0.652 4.998 -4.592 201 HD2 PHE 25 2HD PHE 25 1.733 6.549 -8.408 202 HE1 PHE 25 1HE PHE 25 2.675 3.601 -4.584 203 HE2 PHE 25 2HE PHE 25 3.757 5.152 -8.405 204 HZ PHE 25 HZ PHE 25 4.230 3.676 -6.492 205 H SER 26 H SER 26 -2.290 5.118 -7.953 206 HA SER 26 HA SER 26 -2.835 2.491 -7.100 207 1HB SER 26 2HB SER 26 -2.551 2.165 -9.769 208 2HB SER 26 1HB SER 26 -3.990 2.870 -9.029 209 HG SER 26 HG SER 26 -3.506 4.464 -10.333 210 H PHE 27 H PHE 27 -0.866 1.941 -5.954 211 HA PHE 27 HA PHE 27 1.653 1.786 -7.163 212 1HB PHE 27 2HB PHE 27 1.128 1.595 -4.684 213 2HB PHE 27 1HB PHE 27 0.679 -0.078 -4.997 214 HD1 PHE 27 2HD PHE 27 3.468 1.812 -6.538 215 HD2 PHE 27 1HD PHE 27 2.332 -1.242 -3.794 216 HE1 PHE 27 2HE PHE 27 5.822 1.144 -6.313 217 HE2 PHE 27 1HE PHE 27 4.688 -1.913 -3.569 218 HZ PHE 27 HZ PHE 27 6.435 -0.721 -4.828 219 H HIS 28 H HIS 28 2.525 0.415 -8.586 220 HA HIS 28 HA HIS 28 0.935 -1.558 -9.860 221 1HB HIS 28 2HB HIS 28 3.869 -0.873 -10.050 222 2HB HIS 28 1HB HIS 28 3.112 -2.123 -11.032 223 HD1 HIS 28 1HD HIS 28 2.118 1.473 -10.238 224 HD2 HIS 28 2HD HIS 28 2.662 -1.075 -13.475 225 HE1 HIS 28 1HE HIS 28 1.523 2.831 -12.270 226 HE2 HIS 28 2HE HIS 28 1.938 1.292 -14.222 227 H LEU 29 H LEU 29 1.382 -3.823 -10.008 228 HA LEU 29 HA LEU 29 1.746 -5.050 -7.495 229 1HB LEU 29 2HB LEU 29 0.603 -5.838 -9.786 230 2HB LEU 29 1HB LEU 29 2.135 -6.675 -9.946 231 HG LEU 29 HG LEU 29 0.831 -7.002 -7.328 232 1HD1 LEU 29 1HD1 LEU 29 -1.218 -7.240 -8.305 233 2HD1 LEU 29 2HD1 LEU 29 -0.594 -8.875 -8.520 234 3HD1 LEU 29 3HD1 LEU 29 -0.543 -7.732 -9.859 235 1HD2 LEU 29 1HD2 LEU 29 2.406 -8.589 -9.282 236 2HD2 LEU 29 2HD2 LEU 29 1.368 -9.456 -8.150 237 3HD2 LEU 29 3HD2 LEU 29 2.630 -8.382 -7.545 238 H GLY 30 H GLY 30 3.679 -4.579 -6.595 239 1HA GLY 30 2HA GLY 30 5.934 -6.148 -7.399 240 2HA GLY 30 1HA GLY 30 6.178 -4.436 -7.708 241 H ASP 31 H ASP 31 7.568 -3.783 -6.192 242 HA ASP 31 HA ASP 31 6.696 -3.790 -3.449 243 1HB ASP 31 2HB ASP 31 8.702 -4.867 -2.542 244 2HB ASP 31 1HB ASP 31 7.803 -5.969 -3.577 245 H ASN 32 H ASN 32 7.577 -2.165 -2.236 246 HA ASN 32 HA ASN 32 9.603 -0.482 -3.574 247 1HB ASN 32 2HB ASN 32 7.036 0.287 -3.199 248 2HB ASN 32 1HB ASN 32 7.734 0.813 -1.672 249 1HD2 ASN 32 1HD2 ASN 32 6.715 2.228 -4.131 250 2HD2 ASN 32 2HD2 ASN 32 7.980 3.332 -4.540 251 H SER 33 H SER 33 11.325 0.170 -2.337 252 HA SER 33 HA SER 33 11.555 -1.070 0.272 253 1HB SER 33 2HB SER 33 13.904 0.149 0.069 254 2HB SER 33 1HB SER 33 13.569 -1.367 -0.771 255 HG SER 33 HG SER 33 13.159 1.179 -1.947 256 H LEU 34 H LEU 34 11.932 -0.068 2.167 257 HA LEU 34 HA LEU 34 11.271 2.800 2.266 258 1HB LEU 34 2HB LEU 34 9.549 1.536 3.332 259 2HB LEU 34 1HB LEU 34 10.702 0.535 4.182 260 HG LEU 34 HG LEU 34 9.368 2.338 5.445 261 1HD1 LEU 34 1HD1 LEU 34 11.428 2.647 6.915 262 2HD1 LEU 34 2HD1 LEU 34 12.276 1.682 5.701 263 3HD1 LEU 34 3HD1 LEU 34 10.906 0.998 6.569 264 1HD2 LEU 34 1HD2 LEU 34 11.592 4.178 5.179 265 2HD2 LEU 34 2HD2 LEU 34 9.858 4.490 5.189 266 3HD2 LEU 34 3HD2 LEU 34 10.660 4.030 3.689 267 H ALA 35 H ALA 35 12.564 4.162 3.453 268 HA ALA 35 HA ALA 35 15.263 3.424 3.844 269 1HB ALA 35 1HB ALA 35 14.344 5.710 3.208 270 2HB ALA 35 2HB ALA 35 15.645 5.667 4.398 271 3HB ALA 35 3HB ALA 35 13.979 5.910 4.922 272 H ALA 36 H ALA 36 16.433 3.599 5.857 273 HA ALA 36 HA ALA 36 15.169 2.101 7.898 274 1HB ALA 36 1HB ALA 36 17.735 2.455 7.189 275 2HB ALA 36 2HB ALA 36 17.235 1.816 8.755 276 3HB ALA 36 3HB ALA 36 17.654 3.521 8.592 277 H VAL 37 H VAL 37 13.714 2.842 9.195 278 HA VAL 37 HA VAL 37 14.065 5.473 10.469 279 HB VAL 37 HB VAL 37 11.369 4.284 9.838 280 1HG1 VAL 37 1HG1 VAL 37 10.970 6.918 9.886 281 2HG1 VAL 37 2HG1 VAL 37 12.370 6.832 10.955 282 3HG1 VAL 37 3HG1 VAL 37 10.912 5.915 11.336 283 1HG2 VAL 37 1HG2 VAL 37 11.758 4.658 7.673 284 2HG2 VAL 37 2HG2 VAL 37 13.240 5.556 8.005 285 3HG2 VAL 37 3HG2 VAL 37 11.679 6.374 8.073 286 H SER 38 H SER 38 12.691 5.630 12.513 287 HA SER 38 HA SER 38 13.474 3.723 14.357 288 1HB SER 38 2HB SER 38 12.836 5.878 15.148 289 2HB SER 38 1HB SER 38 11.227 5.736 14.439 290 HG SER 38 HG SER 38 10.824 5.173 16.461 291 H GLU 39 H GLU 39 10.120 4.193 13.208 292 HA GLU 39 HA GLU 39 9.693 1.380 12.917 293 1HB GLU 39 2HB GLU 39 9.615 1.746 15.417 294 2HB GLU 39 1HB GLU 39 8.164 2.702 15.150 295 1HG GLU 39 2HG GLU 39 7.680 0.343 13.782 296 2HG GLU 39 1HG GLU 39 8.501 -0.166 15.257 297 H SER 40 H SER 40 8.662 4.631 12.632 298 HA SER 40 HA SER 40 6.019 4.620 12.095 299 1HB SER 40 2HB SER 40 8.125 6.344 11.569 300 2HB SER 40 1HB SER 40 7.432 6.037 9.977 301 HG SER 40 HG SER 40 6.360 7.360 12.161 302 H GLN 41 H GLN 41 8.529 3.561 9.800 303 HA GLN 41 HA GLN 41 6.944 3.114 7.576 304 1HB GLN 41 2HB GLN 41 8.621 1.473 6.871 305 2HB GLN 41 1HB GLN 41 9.343 2.953 7.464 306 1HG GLN 41 2HG GLN 41 10.688 1.373 8.417 307 2HG GLN 41 1HG GLN 41 9.529 1.670 9.707 308 1HE2 GLN 41 1HE2 GLN 41 8.072 -0.075 7.217 309 2HE2 GLN 41 2HE2 GLN 41 8.251 -1.652 7.885 310 H LEU 42 H LEU 42 7.652 0.871 10.227 311 HA LEU 42 HA LEU 42 6.302 -1.341 9.216 312 1HB LEU 42 2HB LEU 42 7.815 -1.393 11.161 313 2HB LEU 42 1HB LEU 42 6.614 -0.535 12.108 314 HG LEU 42 HG LEU 42 5.093 -2.588 11.439 315 1HD1 LEU 42 1HD1 LEU 42 6.855 -3.549 9.966 316 2HD1 LEU 42 2HD1 LEU 42 6.287 -4.648 11.223 317 3HD1 LEU 42 3HD1 LEU 42 7.837 -3.828 11.404 318 1HD2 LEU 42 1HD2 LEU 42 6.300 -3.788 13.482 319 2HD2 LEU 42 2HD2 LEU 42 5.306 -2.345 13.687 320 3HD2 LEU 42 3HD2 LEU 42 7.063 -2.205 13.618 321 H ALA 43 H ALA 43 5.081 1.248 11.313 322 HA ALA 43 HA ALA 43 2.437 0.137 11.381 323 1HB ALA 43 1HB ALA 43 2.041 2.602 12.300 324 2HB ALA 43 2HB ALA 43 3.790 2.507 12.508 325 3HB ALA 43 3HB ALA 43 2.744 1.316 13.281 326 H GLN 44 H GLN 44 4.127 2.464 9.400 327 HA GLN 44 HA GLN 44 1.881 3.788 8.327 328 1HB GLN 44 2HB GLN 44 4.724 3.713 7.850 329 2HB GLN 44 1HB GLN 44 3.857 3.705 6.321 330 1HG GLN 44 2HG GLN 44 3.461 5.713 8.527 331 2HG GLN 44 1HG GLN 44 4.435 5.964 7.079 332 1HE2 GLN 44 1HE2 GLN 44 3.462 7.027 5.523 333 2HE2 GLN 44 2HE2 GLN 44 1.761 7.082 5.225 334 H LEU 45 H LEU 45 3.778 1.044 7.095 335 HA LEU 45 HA LEU 45 1.966 0.604 4.908 336 1HB LEU 45 2HB LEU 45 4.124 -1.235 5.913 337 2HB LEU 45 1HB LEU 45 3.400 -1.217 4.316 338 1HD1 LEU 45 1HD1 LEU 45 6.921 0.080 4.620 339 2HD1 LEU 45 2HD1 LEU 45 6.101 -0.449 3.153 340 3HD1 LEU 45 3HD1 LEU 45 6.001 -1.424 4.620 341 1HD2 LEU 45 1HD2 LEU 45 3.313 1.605 3.785 342 2HD2 LEU 45 2HD2 LEU 45 4.203 0.621 2.623 343 3HD2 LEU 45 3HD2 LEU 45 4.968 2.033 3.351 344 H LYS 46 H LYS 46 2.488 -0.762 8.092 345 HA LYS 46 HA LYS 46 0.706 -2.979 7.682 346 1HB LYS 46 2HB LYS 46 2.641 -2.915 9.326 347 2HB LYS 46 1HB LYS 46 1.634 -1.887 10.335 348 1HG LYS 46 2HG LYS 46 0.118 -3.597 10.776 349 2HG LYS 46 1HG LYS 46 0.663 -4.560 9.401 350 1HD LYS 46 2HD LYS 46 2.839 -4.055 11.227 351 2HD LYS 46 1HD LYS 46 1.476 -4.793 12.069 352 1HE LYS 46 2HE LYS 46 1.535 -6.705 10.750 353 2HE LYS 46 1HE LYS 46 2.426 -5.904 9.458 354 1HZ LYS 46 1HZ LYS 46 4.326 -6.568 10.351 355 2HZ LYS 46 2HZ LYS 46 3.461 -7.460 11.499 356 3HZ LYS 46 3HZ LYS 46 3.941 -5.877 11.847 357 H ALA 47 H ALA 47 0.223 0.304 8.225 358 HA ALA 47 HA ALA 47 -1.897 0.437 10.000 359 1HB ALA 47 1HB ALA 47 -2.601 2.444 8.540 360 2HB ALA 47 2HB ALA 47 -1.136 2.092 7.623 361 3HB ALA 47 3HB ALA 47 -1.029 2.488 9.338 362 H ASP 48 H ASP 48 -1.971 -0.164 6.501 363 HA ASP 48 HA ASP 48 -4.843 -0.650 6.621 364 1HB ASP 48 2HB ASP 48 -3.325 0.545 4.715 365 2HB ASP 48 1HB ASP 48 -3.409 -1.094 4.076 366 HA PRO 49 HA PRO 49 -4.038 -5.033 6.932 367 1HB PRO 49 2HB PRO 49 -6.577 -5.882 7.032 368 2HB PRO 49 1HB PRO 49 -5.844 -5.001 8.378 369 1HG PRO 49 2HG PRO 49 -7.682 -4.001 6.239 370 2HG PRO 49 1HG PRO 49 -7.696 -3.654 7.978 371 1HD PRO 49 2HD PRO 49 -6.622 -1.979 6.088 372 2HD PRO 49 1HD PRO 49 -6.105 -2.020 7.785 373 H ARG 50 H ARG 50 -3.126 -5.125 4.763 374 HA ARG 50 HA ARG 50 -4.619 -6.837 3.051 375 1HB ARG 50 2HB ARG 50 -5.113 -4.155 2.608 376 2HB ARG 50 1HB ARG 50 -3.867 -4.527 1.424 377 1HG ARG 50 2HG ARG 50 -5.874 -4.910 0.306 378 2HG ARG 50 1HG ARG 50 -5.321 -6.519 0.773 379 1HD ARG 50 2HD ARG 50 -6.925 -6.732 2.429 380 2HD ARG 50 1HD ARG 50 -7.159 -4.989 2.566 381 HE ARG 50 HE ARG 50 -7.960 -5.775 0.008 382 1HH1 ARG 50 1HH1 ARG 50 -8.937 -6.220 3.329 383 2HH1 ARG 50 2HH1 ARG 50 -10.611 -6.428 2.939 384 1HH2 ARG 50 1HH2 ARG 50 -10.161 -6.047 -0.506 385 2HH2 ARG 50 2HH2 ARG 50 -11.306 -6.329 0.762 386 H LEU 51 H LEU 51 -2.128 -4.388 2.336 387 HA LEU 51 HA LEU 51 -0.474 -6.211 0.960 388 1HB LEU 51 2HB LEU 51 0.014 -3.477 2.116 389 2HB LEU 51 1HB LEU 51 1.279 -4.374 1.296 390 HG LEU 51 HG LEU 51 -0.495 -4.521 -0.639 391 1HD1 LEU 51 1HD1 LEU 51 -2.385 -3.550 0.330 392 2HD1 LEU 51 2HD1 LEU 51 -1.719 -2.277 -0.692 393 3HD1 LEU 51 3HD1 LEU 51 -1.454 -2.237 1.050 394 1HD2 LEU 51 1HD2 LEU 51 0.395 -2.335 -1.503 395 2HD2 LEU 51 2HD2 LEU 51 1.617 -3.489 -0.966 396 3HD2 LEU 51 3HD2 LEU 51 1.182 -2.123 0.062 397 H VAL 52 H VAL 52 1.912 -6.510 1.645 398 HA VAL 52 HA VAL 52 1.930 -7.392 4.459 399 HB VAL 52 HB VAL 52 3.671 -8.538 2.309 400 1HG1 VAL 52 1HG1 VAL 52 2.808 -9.486 5.027 401 2HG1 VAL 52 2HG1 VAL 52 4.436 -9.062 4.489 402 3HG1 VAL 52 3HG1 VAL 52 3.645 -10.507 3.857 403 1HG2 VAL 52 1HG2 VAL 52 1.311 -8.783 1.625 404 2HG2 VAL 52 2HG2 VAL 52 0.981 -9.606 3.151 405 3HG2 VAL 52 3HG2 VAL 52 2.081 -10.330 1.978 406 H VAL 53 H VAL 53 3.042 -5.939 5.599 407 HA VAL 53 HA VAL 53 5.553 -4.880 4.497 408 HB VAL 53 HB VAL 53 4.277 -3.046 5.146 409 1HG1 VAL 53 1HG1 VAL 53 2.439 -3.909 6.273 410 2HG1 VAL 53 2HG1 VAL 53 3.257 -2.951 7.508 411 3HG1 VAL 53 3HG1 VAL 53 3.438 -4.705 7.490 412 1HG2 VAL 53 1HG2 VAL 53 6.525 -2.869 6.044 413 2HG2 VAL 53 2HG2 VAL 53 6.014 -3.666 7.532 414 3HG2 VAL 53 3HG2 VAL 53 5.373 -2.077 7.120 415 H GLN 54 H GLN 54 7.252 -6.033 5.048 416 HA GLN 54 HA GLN 54 7.452 -7.019 7.819 417 1HB GLN 54 2HB GLN 54 7.781 -8.468 5.263 418 2HB GLN 54 1HB GLN 54 8.987 -8.810 6.496 419 1HG GLN 54 2HG GLN 54 6.222 -8.831 7.459 420 2HG GLN 54 1HG GLN 54 6.597 -10.068 6.261 421 1HE2 GLN 54 1HE2 GLN 54 6.874 -11.897 7.327 422 2HE2 GLN 54 2HE2 GLN 54 7.870 -12.115 8.723 423 H ILE 55 H ILE 55 9.282 -6.580 8.880 424 HA ILE 55 HA ILE 55 11.290 -4.940 7.559 425 HB ILE 55 HB ILE 55 12.202 -4.581 9.801 426 1HG1 ILE 55 2HG1 ILE 55 10.448 -5.522 11.631 427 2HG1 ILE 55 1HG1 ILE 55 10.371 -6.822 10.446 428 1HG2 ILE 55 1HG2 ILE 55 10.516 -3.055 9.127 429 2HG2 ILE 55 2HG2 ILE 55 10.169 -3.488 10.801 430 3HG2 ILE 55 3HG2 ILE 55 9.233 -4.208 9.491 431 1HD1 ILE 55 1HD1 ILE 55 12.386 -6.252 12.401 432 2HD1 ILE 55 2HD1 ILE 55 13.087 -6.283 10.783 433 3HD1 ILE 55 3HD1 ILE 55 12.182 -7.674 11.378 434 H THR 56 H THR 56 13.302 -5.567 7.050 435 HA THR 56 HA THR 56 14.175 -8.242 7.919 436 HB THR 56 HB THR 56 15.173 -8.623 5.780 437 HG1 THR 56 1HG THR 56 15.886 -6.950 4.761 438 1HG2 THR 56 1HG2 THR 56 13.223 -8.118 4.169 439 2HG2 THR 56 2HG2 THR 56 12.382 -7.582 5.625 440 3HG2 THR 56 3HG2 THR 56 12.970 -9.240 5.506 441 H GLU 57 H GLU 57 15.648 -7.842 9.448 442 HA GLU 57 HA GLU 57 17.643 -5.737 8.985 443 1HB GLU 57 2HB GLU 57 16.163 -6.144 11.188 444 2HB GLU 57 1HB GLU 57 17.531 -7.176 11.580 445 1HG GLU 57 2HG GLU 57 18.406 -4.610 10.593 446 2HG GLU 57 1HG GLU 57 17.324 -4.436 11.973 447 H THR 58 H THR 58 17.564 -8.991 10.453 448 HA THR 58 HA THR 58 19.845 -9.801 8.865 449 HB THR 58 HB THR 58 21.054 -8.782 10.643 450 HG1 THR 58 1HG THR 58 21.785 -10.877 10.122 451 1HG2 THR 58 1HG2 THR 58 19.137 -8.679 12.254 452 2HG2 THR 58 2HG2 THR 58 20.700 -9.103 12.953 453 3HG2 THR 58 3HG2 THR 58 19.493 -10.356 12.664 454 H GLY 59 H GLY 59 17.717 -10.623 11.591 455 1HA GLY 59 2HA GLY 59 16.288 -12.479 11.693 456 2HA GLY 59 1HA GLY 59 17.122 -13.171 10.310 457 H SER 60 H SER 60 17.035 -15.162 11.568 458 HA SER 60 HA SER 60 18.697 -15.315 13.936 459 1HB SER 60 2HB SER 60 16.499 -16.704 13.188 460 2HB SER 60 1HB SER 60 17.759 -17.812 12.647 461 HG SER 60 HG SER 60 18.644 -17.490 14.854 462 H GLN 61 H GLN 61 18.839 -16.260 10.551 463 HA GLN 61 HA GLN 61 21.654 -16.254 10.482 464 1HB GLN 61 2HB GLN 61 20.730 -18.561 11.638 465 2HB GLN 61 1HB GLN 61 20.870 -19.036 9.951 466 1HG GLN 61 2HG GLN 61 23.154 -18.736 9.915 467 2HG GLN 61 1HG GLN 61 23.135 -17.626 11.284 468 1HE2 GLN 61 1HE2 GLN 61 24.621 -20.163 10.704 469 2HE2 GLN 61 2HE2 GLN 61 24.349 -21.154 12.092 470 H GLU 62 H GLU 62 19.048 -18.189 8.994 471 HA GLU 62 HA GLU 62 18.964 -16.705 6.607 472 1HB GLU 62 2HB GLU 62 21.215 -17.679 6.291 473 2HB GLU 62 1HB GLU 62 20.522 -19.290 6.415 474 1HG GLU 62 2HG GLU 62 19.007 -18.115 4.446 475 2HG GLU 62 1HG GLU 62 20.620 -17.464 4.157 476 H GLY 63 H GLY 63 18.824 -20.130 7.612 477 1HA GLY 63 2HA GLY 63 16.827 -21.358 7.915 478 2HA GLY 63 1HA GLY 63 15.962 -20.135 6.998 479 H GLY 64 H GLY 64 16.064 -23.101 6.748 480 1HA GLY 64 2HA GLY 64 16.194 -23.186 3.885 481 2HA GLY 64 1HA GLY 64 17.521 -24.060 4.634 482 H GLU 65 H GLU 65 14.097 -23.747 5.549 483 HA GLU 65 HA GLU 65 13.843 -26.665 5.242 484 1HB GLU 65 2HB GLU 65 12.284 -26.577 7.226 485 2HB GLU 65 1HB GLU 65 13.983 -26.306 7.587 486 1HG GLU 65 2HG GLU 65 12.661 -23.815 7.029 487 2HG GLU 65 1HG GLU 65 11.813 -24.703 8.294 488 H GLY 66 H GLY 66 13.145 -24.858 3.246 489 1HA GLY 66 2HA GLY 66 10.983 -25.497 2.040 490 2HA GLY 66 1HA GLY 66 10.203 -24.738 3.420 491 H LEU 67 H LEU 67 12.326 -22.667 3.571 492 HA LEU 67 HA LEU 67 11.228 -20.926 1.497 493 1HB LEU 67 2HB LEU 67 11.421 -20.424 4.071 494 2HB LEU 67 1HB LEU 67 13.063 -19.971 3.652 495 HG LEU 67 HG LEU 67 10.654 -18.780 2.289 496 1HD1 LEU 67 1HD1 LEU 67 10.406 -17.209 3.886 497 2HD1 LEU 67 2HD1 LEU 67 12.121 -17.202 4.301 498 3HD1 LEU 67 3HD1 LEU 67 11.068 -18.472 4.924 499 1HD2 LEU 67 1HD2 LEU 67 12.618 -16.939 2.185 500 2HD2 LEU 67 2HD2 LEU 67 12.341 -18.148 0.933 501 3HD2 LEU 67 3HD2 LEU 67 13.575 -18.419 2.162 502 H SER 68 H SER 68 12.326 -20.788 -0.340 503 HA SER 68 HA SER 68 15.262 -20.965 -0.247 504 1HB SER 68 2HB SER 68 13.255 -22.087 -2.056 505 2HB SER 68 1HB SER 68 14.557 -21.254 -2.906 506 HG SER 68 HG SER 68 15.938 -22.732 -2.264 507 H LYS 69 H LYS 69 13.041 -19.652 -2.688 508 HA LYS 69 HA LYS 69 14.027 -16.958 -2.226 509 1HB LYS 69 2HB LYS 69 14.486 -18.451 -4.811 510 2HB LYS 69 1HB LYS 69 14.600 -16.701 -4.669 511 1HG LYS 69 2HG LYS 69 16.249 -18.611 -3.032 512 2HG LYS 69 1HG LYS 69 16.777 -17.924 -4.569 513 1HD LYS 69 2HD LYS 69 15.797 -16.067 -2.461 514 2HD LYS 69 1HD LYS 69 17.392 -16.794 -2.256 515 1HE LYS 69 2HE LYS 69 16.479 -15.264 -4.689 516 2HE LYS 69 1HE LYS 69 17.474 -14.604 -3.392 517 1HZ LYS 69 1HZ LYS 69 18.614 -17.005 -4.349 518 2HZ LYS 69 2HZ LYS 69 19.270 -15.446 -4.348 519 3HZ LYS 69 3HZ LYS 69 18.328 -15.963 -5.652 520 H GLU 70 H GLU 70 12.105 -19.045 -4.367 521 HA GLU 70 HA GLU 70 10.062 -16.923 -4.452 522 1HB GLU 70 2HB GLU 70 11.321 -17.725 -6.618 523 2HB GLU 70 1HB GLU 70 10.191 -19.068 -6.530 524 1HG GLU 70 2HG GLU 70 8.320 -17.587 -6.690 525 2HG GLU 70 1HG GLU 70 9.367 -16.176 -6.559 526 HA PRO 71 HA PRO 71 7.779 -20.150 -2.282 527 1HB PRO 71 2HB PRO 71 5.748 -18.607 -1.441 528 2HB PRO 71 1HB PRO 71 7.351 -18.524 -0.700 529 1HG PRO 71 2HG PRO 71 6.109 -16.712 -2.734 530 2HG PRO 71 1HG PRO 71 7.062 -16.295 -1.299 531 1HD PRO 71 2HD PRO 71 8.094 -16.373 -3.830 532 2HD PRO 71 1HD PRO 71 9.058 -16.659 -2.367 533 H ALA 72 H ALA 72 7.094 -18.605 -5.166 534 HA ALA 72 HA ALA 72 4.407 -19.024 -5.653 535 1HB ALA 72 1HB ALA 72 5.375 -19.521 -8.086 536 2HB ALA 72 2HB ALA 72 6.831 -18.858 -7.344 537 3HB ALA 72 3HB ALA 72 5.348 -17.903 -7.386 538 H GLY 73 H GLY 73 6.837 -21.195 -7.081 539 1HA GLY 73 2HA GLY 73 6.529 -23.598 -6.122 540 2HA GLY 73 1HA GLY 73 4.916 -23.394 -6.790 541 H SER 74 H SER 74 5.245 -22.278 -9.176 542 HA SER 74 HA SER 74 5.764 -22.704 -11.348 543 1HB SER 74 2HB SER 74 8.235 -22.674 -9.951 544 2HB SER 74 1HB SER 74 8.312 -23.993 -11.118 545 HG SER 74 HG SER 74 7.508 -22.371 -12.669 546 H ASP 75 H ASP 75 4.391 -24.709 -9.780 547 HA ASP 75 HA ASP 75 5.275 -27.169 -11.137 548 1HB ASP 75 2HB ASP 75 4.491 -26.659 -8.426 549 2HB ASP 75 1HB ASP 75 3.347 -27.786 -9.149 550 H GLU 76 H GLU 76 2.372 -25.368 -10.150 551 HA GLU 76 HA GLU 76 0.669 -26.923 -11.880 552 1HB GLU 76 2HB GLU 76 0.102 -24.382 -10.340 553 2HB GLU 76 1HB GLU 76 -1.103 -25.377 -11.145 554 1HG GLU 76 2HG GLU 76 0.244 -27.149 -9.502 555 2HG GLU 76 1HG GLU 76 0.113 -25.678 -8.539 556 H GLN 77 H GLN 77 -0.638 -25.968 -13.587 557 HA GLN 77 HA GLN 77 0.454 -23.557 -14.824 558 1HB GLN 77 2HB GLN 77 0.132 -26.135 -16.366 559 2HB GLN 77 1HB GLN 77 0.747 -24.606 -16.980 560 1HG GLN 77 2HG GLN 77 2.470 -25.020 -14.961 561 2HG GLN 77 1HG GLN 77 2.084 -26.688 -15.384 562 1HE2 GLN 77 1HE2 GLN 77 4.449 -26.578 -15.888 563 2HE2 GLN 77 2HE2 GLN 77 4.894 -26.116 -17.492 564 H LYS 78 H LYS 78 -1.934 -26.175 -15.130 565 HA LYS 78 HA LYS 78 -3.971 -24.144 -15.711 566 1HB LYS 78 2HB LYS 78 -4.977 -25.710 -17.388 567 2HB LYS 78 1HB LYS 78 -3.434 -25.021 -17.871 568 1HG LYS 78 2HG LYS 78 -2.305 -27.026 -17.604 569 2HG LYS 78 1HG LYS 78 -3.543 -27.693 -16.538 570 1HD LYS 78 2HD LYS 78 -3.979 -28.830 -18.492 571 2HD LYS 78 1HD LYS 78 -5.067 -27.451 -18.653 572 1HE LYS 78 2HE LYS 78 -2.322 -27.123 -19.709 573 2HE LYS 78 1HE LYS 78 -3.385 -28.221 -20.587 574 1HZ LYS 78 1HZ LYS 78 -3.300 -25.600 -21.016 575 2HZ LYS 78 2HZ LYS 78 -4.534 -25.655 -19.862 576 3HZ LYS 78 3HZ LYS 78 -4.680 -26.540 -21.295 577 H GLN 79 H GLN 79 -6.228 -25.272 -15.672 578 HA GLN 79 HA GLN 79 -7.835 -26.275 -14.414 579 1HB GLN 79 2HB GLN 79 -5.952 -28.256 -15.009 580 2HB GLN 79 1HB GLN 79 -6.271 -28.443 -13.290 581 1HG GLN 79 2HG GLN 79 -8.326 -29.244 -13.633 582 2HG GLN 79 1HG GLN 79 -8.674 -28.083 -14.913 583 1HE2 GLN 79 1HE2 GLN 79 -8.432 -31.251 -14.303 584 2HE2 GLN 79 2HE2 GLN 79 -7.973 -31.837 -15.861 585 H LEU 80 H LEU 80 -8.326 -25.004 -12.731 586 HA LEU 80 HA LEU 80 -6.660 -25.229 -10.310 587 1HB LEU 80 2HB LEU 80 -7.166 -22.948 -11.736 588 2HB LEU 80 1HB LEU 80 -8.420 -22.887 -10.511 589 HG LEU 80 HG LEU 80 -6.511 -21.641 -9.743 590 1HD1 LEU 80 1HD1 LEU 80 -6.402 -22.489 -7.618 591 2HD1 LEU 80 2HD1 LEU 80 -6.258 -24.158 -8.171 592 3HD1 LEU 80 3HD1 LEU 80 -7.819 -23.339 -8.232 593 1HD2 LEU 80 1HD2 LEU 80 -4.396 -23.124 -9.260 594 2HD2 LEU 80 2HD2 LEU 80 -4.634 -22.368 -10.836 595 3HD2 LEU 80 3HD2 LEU 80 -5.026 -24.073 -10.608 596 H ARG 81 H ARG 81 -7.657 -25.567 -8.359 597 HA ARG 81 HA ARG 81 -10.104 -26.937 -8.343 598 1HB ARG 81 2HB ARG 81 -8.037 -26.567 -6.558 599 2HB ARG 81 1HB ARG 81 -9.368 -25.722 -5.781 600 1HG ARG 81 2HG ARG 81 -10.714 -27.870 -6.244 601 2HG ARG 81 1HG ARG 81 -9.134 -28.617 -6.491 602 1HD ARG 81 2HD ARG 81 -8.452 -27.827 -4.250 603 2HD ARG 81 1HD ARG 81 -10.077 -27.187 -4.010 604 HE ARG 81 HE ARG 81 -10.825 -29.315 -3.602 605 1HH1 ARG 81 1HH1 ARG 81 -7.641 -29.479 -5.022 606 2HH1 ARG 81 2HH1 ARG 81 -7.466 -31.177 -4.741 607 1HH2 ARG 81 1HH2 ARG 81 -10.597 -31.550 -3.231 608 2HH2 ARG 81 2HH2 ARG 81 -9.145 -32.354 -3.726 609 H ALA 82 H ALA 82 -11.733 -26.136 -6.431 610 HA ALA 82 HA ALA 82 -12.866 -23.672 -7.512 611 1HB ALA 82 1HB ALA 82 -14.223 -25.398 -5.480 612 2HB ALA 82 2HB ALA 82 -14.144 -25.894 -7.170 613 3HB ALA 82 3HB ALA 82 -14.932 -24.378 -6.732 614 H ASP 83 H ASP 83 -14.061 -22.279 -5.844 615 HA ASP 83 HA ASP 83 -12.382 -21.952 -3.446 616 1HB ASP 83 2HB ASP 83 -12.368 -20.215 -5.537 617 2HB ASP 83 1HB ASP 83 -13.643 -19.516 -4.544 618 HA PRO 84 HA PRO 84 -15.996 -22.211 -0.933 619 1HB PRO 84 2HB PRO 84 -14.911 -19.798 0.442 620 2HB PRO 84 1HB PRO 84 -15.436 -21.343 1.125 621 1HG PRO 84 2HG PRO 84 -12.846 -20.775 0.894 622 2HG PRO 84 1HG PRO 84 -13.452 -22.411 0.571 623 1HD PRO 84 2HD PRO 84 -12.584 -20.296 -1.346 624 2HD PRO 84 1HD PRO 84 -12.401 -22.059 -1.449 625 HA PRO 85 HA PRO 85 -18.265 -18.983 -3.244 626 1HB PRO 85 2HB PRO 85 -20.550 -20.741 -2.632 627 2HB PRO 85 1HB PRO 85 -19.963 -20.167 -4.195 628 1HG PRO 85 2HG PRO 85 -19.666 -22.723 -3.437 629 2HG PRO 85 1HG PRO 85 -18.436 -21.887 -4.403 630 1HD PRO 85 2HD PRO 85 -18.465 -22.466 -1.463 631 2HD PRO 85 1HD PRO 85 -17.124 -22.595 -2.621 632 H SER 86 H SER 86 -17.669 -17.910 -1.049 633 HA SER 86 HA SER 86 -20.135 -16.987 0.109 634 1HB SER 86 2HB SER 86 -19.150 -17.446 2.489 635 2HB SER 86 1HB SER 86 -20.005 -18.736 1.642 636 HG SER 86 HG SER 86 -18.128 -19.741 1.236 637 H THR 87 H THR 87 -19.802 -14.877 -0.127 638 HA THR 87 HA THR 87 -17.473 -13.681 1.161 639 HB THR 87 HB THR 87 -18.253 -13.028 -1.687 640 HG1 THR 87 1HG THR 87 -15.949 -14.353 -0.700 641 1HG2 THR 87 1HG2 THR 87 -16.468 -11.542 -1.790 642 2HG2 THR 87 2HG2 THR 87 -15.762 -12.140 -0.289 643 3HG2 THR 87 3HG2 THR 87 -17.243 -11.183 -0.248 644 H ASP 88 H ASP 88 -20.473 -13.072 -0.640 645 HA ASP 88 HA ASP 88 -21.211 -11.090 1.382 646 1HB ASP 88 2HB ASP 88 -20.653 -10.546 -1.454 647 2HB ASP 88 1HB ASP 88 -22.192 -9.909 -0.885 648 H LEU 89 H LEU 89 -22.253 -12.879 -1.504 649 HA LEU 89 HA LEU 89 -25.014 -12.611 -1.080 650 1HB LEU 89 2HB LEU 89 -23.558 -13.561 -3.098 651 2HB LEU 89 1HB LEU 89 -23.972 -15.089 -2.345 652 HG LEU 89 HG LEU 89 -26.337 -14.635 -2.604 653 1HD1 LEU 89 1HD1 LEU 89 -26.845 -12.443 -2.452 654 2HD1 LEU 89 2HD1 LEU 89 -26.708 -12.514 -4.209 655 3HD1 LEU 89 3HD1 LEU 89 -25.354 -11.930 -3.242 656 1HD2 LEU 89 1HD2 LEU 89 -24.502 -14.567 -4.920 657 2HD2 LEU 89 2HD2 LEU 89 -26.193 -14.180 -5.239 658 3HD2 LEU 89 3HD2 LEU 89 -25.766 -15.725 -4.503 659 H ASN 90 H ASN 90 -22.684 -14.525 0.552 660 HA ASN 90 HA ASN 90 -24.040 -16.780 1.329 661 1HB ASN 90 2HB ASN 90 -21.659 -15.889 1.959 662 2HB ASN 90 1HB ASN 90 -22.481 -15.246 3.378 663 1HD2 ASN 90 1HD2 ASN 90 -22.599 -16.526 5.069 664 2HD2 ASN 90 2HD2 ASN 90 -22.443 -18.246 5.057 665 H THR 91 H THR 91 -24.160 -13.594 2.931 666 HA THR 91 HA THR 91 -26.003 -14.321 4.924 667 HB THR 91 HB THR 91 -25.973 -11.532 3.874 668 HG1 THR 91 1HG THR 91 -23.941 -11.228 4.897 669 1HG2 THR 91 1HG2 THR 91 -26.074 -10.879 6.099 670 2HG2 THR 91 2HG2 THR 91 -25.480 -12.435 6.682 671 3HG2 THR 91 3HG2 THR 91 -27.113 -12.302 6.028 672 H PHE 92 H PHE 92 -26.561 -14.022 1.594 673 HA PHE 92 HA PHE 92 -29.305 -13.118 1.851 674 1HB PHE 92 2HB PHE 92 -27.663 -13.987 -0.535 675 2HB PHE 92 1HB PHE 92 -29.325 -13.436 -0.641 676 HD1 PHE 92 1HD PHE 92 -26.126 -12.281 0.906 677 HD2 PHE 92 2HD PHE 92 -29.619 -11.265 -1.301 678 HE1 PHE 92 1HE PHE 92 -25.338 -9.958 0.737 679 HE2 PHE 92 2HE PHE 92 -28.837 -8.940 -1.473 680 HZ PHE 92 HZ PHE 92 -26.694 -8.283 -0.454 681 H THR 93 H THR 93 -30.937 -14.481 2.271 682 HA THR 93 HA THR 93 -30.715 -17.245 1.314 683 HB THR 93 HB THR 93 -30.228 -17.716 3.496 684 HG1 THR 93 1HG THR 93 -32.143 -18.799 3.152 685 1HG2 THR 93 1HG2 THR 93 -31.481 -15.145 4.088 686 2HG2 THR 93 2HG2 THR 93 -30.102 -15.945 4.843 687 3HG2 THR 93 3HG2 THR 93 -31.744 -16.388 5.311 688 H VAL 94 H VAL 94 -33.300 -16.070 3.397 689 HA VAL 94 HA VAL 94 -35.099 -16.007 1.068 690 HB VAL 94 HB VAL 94 -35.839 -17.244 3.715 691 1HG1 VAL 94 1HG1 VAL 94 -37.218 -17.422 1.042 692 2HG1 VAL 94 2HG1 VAL 94 -37.660 -16.275 2.308 693 3HG1 VAL 94 3HG1 VAL 94 -37.809 -18.009 2.596 694 1HG2 VAL 94 1HG2 VAL 94 -35.834 -19.358 2.137 695 2HG2 VAL 94 2HG2 VAL 94 -34.373 -18.836 2.977 696 3HG2 VAL 94 3HG2 VAL 94 -34.608 -18.425 1.278 697 H GLU 95 H GLU 95 -34.698 -15.147 4.477 698 HA GLU 95 HA GLU 95 -36.836 -13.219 4.365 699 1HB GLU 95 2HB GLU 95 -36.290 -12.769 6.695 700 2HB GLU 95 1HB GLU 95 -36.410 -14.499 6.413 701 1HG GLU 95 2HG GLU 95 -33.821 -14.310 6.073 702 2HG GLU 95 1HG GLU 95 -34.020 -12.837 7.021 703 H GLN 96 H GLN 96 -33.446 -13.175 3.755 704 HA GLN 96 HA GLN 96 -33.175 -10.363 4.329 705 1HB GLN 96 2HB GLN 96 -31.347 -12.560 3.511 706 2HB GLN 96 1HB GLN 96 -30.864 -10.918 3.108 707 1HG GLN 96 2HG GLN 96 -31.659 -11.730 5.887 708 2HG GLN 96 1HG GLN 96 -30.005 -11.862 5.291 709 1HE2 GLN 96 1HE2 GLN 96 -32.570 -9.689 6.183 710 2HE2 GLN 96 2HE2 GLN 96 -31.602 -8.263 6.281 711 H LEU 97 H LEU 97 -33.733 -12.323 1.501 712 HA LEU 97 HA LEU 97 -33.137 -10.089 -0.244 713 1HB LEU 97 2HB LEU 97 -34.527 -12.021 -1.739 714 2HB LEU 97 1HB LEU 97 -32.824 -11.653 -1.768 715 HG LEU 97 HG LEU 97 -33.015 -13.980 -1.532 716 1HD1 LEU 97 1HD1 LEU 97 -32.541 -13.720 1.295 717 2HD1 LEU 97 2HD1 LEU 97 -31.711 -12.459 0.385 718 3HD1 LEU 97 3HD1 LEU 97 -31.433 -14.157 0.001 719 1HD2 LEU 97 1HD2 LEU 97 -34.573 -15.090 -0.380 720 2HD2 LEU 97 2HD2 LEU 97 -35.432 -13.555 -0.490 721 3HD2 LEU 97 3HD2 LEU 97 -34.532 -13.960 0.968 722 H LYS 98 H LYS 98 -35.974 -12.061 0.533 723 HA LYS 98 HA LYS 98 -37.894 -10.525 -0.755 724 1HB LYS 98 2HB LYS 98 -37.823 -12.678 1.129 725 2HB LYS 98 1HB LYS 98 -39.025 -11.510 1.659 726 1HG LYS 98 2HG LYS 98 -40.446 -12.084 0.044 727 2HG LYS 98 1HG LYS 98 -39.184 -12.079 -1.188 728 1HD LYS 98 2HD LYS 98 -39.806 -14.306 0.751 729 2HD LYS 98 1HD LYS 98 -40.116 -14.302 -0.986 730 1HE LYS 98 2HE LYS 98 -37.530 -13.851 -1.116 731 2HE LYS 98 1HE LYS 98 -37.538 -14.571 0.480 732 1HZ LYS 98 1HZ LYS 98 -38.587 -16.537 -0.422 733 2HZ LYS 98 2HZ LYS 98 -37.146 -16.219 -1.248 734 3HZ LYS 98 3HZ LYS 98 -38.632 -15.842 -1.964 735 H ALA 99 H ALA 99 -36.302 -10.026 2.367 736 HA ALA 99 HA ALA 99 -38.110 -7.875 3.059 737 1HB ALA 99 1HB ALA 99 -35.586 -8.656 4.488 738 2HB ALA 99 2HB ALA 99 -37.146 -9.430 4.761 739 3HB ALA 99 3HB ALA 99 -36.937 -7.717 5.125 740 H GLN 100 H GLN 100 -35.085 -8.225 1.531 741 HA GLN 100 HA GLN 100 -34.371 -5.436 1.871 742 1HB GLN 100 2HB GLN 100 -33.046 -7.772 0.531 743 2HB GLN 100 1HB GLN 100 -32.491 -6.133 0.225 744 1HG GLN 100 2HG GLN 100 -31.899 -5.806 2.489 745 2HG GLN 100 1HG GLN 100 -32.731 -7.276 2.990 746 1HE2 GLN 100 1HE2 GLN 100 -30.362 -7.252 3.921 747 2HE2 GLN 100 2HE2 GLN 100 -29.237 -8.195 3.008 748 H LEU 101 H LEU 101 -35.369 -7.587 -0.776 749 HA LEU 101 HA LEU 101 -35.224 -5.825 -2.889 750 1HB LEU 101 2HB LEU 101 -36.898 -8.186 -2.256 751 2HB LEU 101 1HB LEU 101 -37.507 -7.139 -3.520 752 HG LEU 101 HG LEU 101 -35.048 -8.845 -3.500 753 1HD1 LEU 101 1HD1 LEU 101 -37.180 -8.344 -5.567 754 2HD1 LEU 101 2HD1 LEU 101 -37.156 -9.691 -4.429 755 3HD1 LEU 101 3HD1 LEU 101 -35.893 -9.549 -5.651 756 1HD2 LEU 101 1HD2 LEU 101 -35.324 -6.205 -4.783 757 2HD2 LEU 101 2HD2 LEU 101 -34.740 -7.508 -5.818 758 3HD2 LEU 101 3HD2 LEU 101 -33.876 -7.106 -4.335 759 H THR 102 H THR 102 -37.930 -6.306 -0.650 760 HA THR 102 HA THR 102 -39.567 -4.294 -1.785 761 HB THR 102 HB THR 102 -40.336 -4.478 0.872 762 HG1 THR 102 1HG THR 102 -40.019 -6.531 1.511 763 1HG2 THR 102 1HG2 THR 102 -42.060 -4.749 -0.573 764 2HG2 THR 102 2HG2 THR 102 -41.803 -6.428 -0.097 765 3HG2 THR 102 3HG2 THR 102 -41.157 -5.835 -1.627 766 H GLU 103 H GLU 103 -37.170 -4.333 0.786 767 HA GLU 103 HA GLU 103 -37.666 -1.619 1.539 768 1HB GLU 103 2HB GLU 103 -35.605 -3.659 2.283 769 2HB GLU 103 1HB GLU 103 -35.380 -1.977 2.742 770 1HG GLU 103 2HG GLU 103 -38.026 -3.035 3.380 771 2HG GLU 103 1HG GLU 103 -36.701 -3.854 4.207 772 H ARG 104 H ARG 104 -36.195 -2.960 -1.089 773 HA ARG 104 HA ARG 104 -34.289 -0.747 -1.405 774 1HB ARG 104 2HB ARG 104 -33.813 -3.354 -1.778 775 2HB ARG 104 1HB ARG 104 -34.396 -2.956 -3.388 776 1HG ARG 104 2HG ARG 104 -32.580 -1.696 -3.886 777 2HG ARG 104 1HG ARG 104 -32.352 -1.165 -2.218 778 1HD ARG 104 2HD ARG 104 -31.806 -3.975 -3.148 779 2HD ARG 104 1HD ARG 104 -30.579 -2.710 -3.131 780 HE ARG 104 HE ARG 104 -31.587 -4.169 -0.884 781 1HH1 ARG 104 1HH1 ARG 104 -30.179 -1.138 -1.887 782 2HH1 ARG 104 2HH1 ARG 104 -29.516 -0.785 -0.327 783 1HH2 ARG 104 1HH2 ARG 104 -30.718 -3.706 1.170 784 2HH2 ARG 104 2HH2 ARG 104 -29.824 -2.243 1.410 785 H GLY 105 H GLY 105 -37.353 -1.825 -2.421 786 1HA GLY 105 2HA GLY 105 -38.859 -0.566 -3.700 787 2HA GLY 105 1HA GLY 105 -37.513 0.382 -4.311 788 H ILE 106 H ILE 106 -38.105 -3.127 -4.329 789 HA ILE 106 HA ILE 106 -38.157 -3.029 -7.268 790 HB ILE 106 HB ILE 106 -36.670 -5.149 -5.725 791 1HG1 ILE 106 2HG1 ILE 106 -35.589 -2.936 -5.449 792 2HG1 ILE 106 1HG1 ILE 106 -34.604 -4.050 -6.391 793 1HG2 ILE 106 1HG2 ILE 106 -35.646 -5.196 -8.200 794 2HG2 ILE 106 2HG2 ILE 106 -37.277 -4.635 -8.568 795 3HG2 ILE 106 3HG2 ILE 106 -37.040 -6.160 -7.713 796 1HD1 ILE 106 1HD1 ILE 106 -34.446 -2.495 -7.949 797 2HD1 ILE 106 2HD1 ILE 106 -35.589 -1.461 -7.092 798 3HD1 ILE 106 3HD1 ILE 106 -36.177 -2.661 -8.242 799 H THR 107 H THR 107 -40.388 -3.379 -7.289 800 HA THR 107 HA THR 107 -41.817 -5.230 -5.798 801 HB THR 107 HB THR 107 -43.560 -5.025 -7.435 802 HG1 THR 107 1HG THR 107 -41.639 -3.912 -9.195 803 1HG2 THR 107 1HG2 THR 107 -42.120 -2.686 -6.568 804 2HG2 THR 107 2HG2 THR 107 -43.857 -2.957 -6.711 805 3HG2 THR 107 3HG2 THR 107 -42.931 -2.412 -8.110 806 H PHE 108 H PHE 108 -41.687 -7.364 -5.676 807 HA PHE 108 HA PHE 108 -40.742 -8.850 -8.037 808 1HB PHE 108 2HB PHE 108 -39.806 -10.520 -6.506 809 2HB PHE 108 1HB PHE 108 -39.120 -8.929 -6.200 810 HD1 PHE 108 2HD PHE 108 -40.228 -7.554 -4.303 811 HD2 PHE 108 1HD PHE 108 -40.657 -11.763 -4.757 812 HE1 PHE 108 2HE PHE 108 -40.848 -7.743 -1.931 813 HE2 PHE 108 1HE PHE 108 -41.280 -11.960 -2.385 814 HZ PHE 108 HZ PHE 108 -41.377 -9.947 -0.969 815 H LYS 109 H LYS 109 -43.055 -8.818 -8.624 816 HA LYS 109 HA LYS 109 -44.405 -11.135 -7.439 817 1HB LYS 109 2HB LYS 109 -45.377 -8.355 -7.516 818 2HB LYS 109 1HB LYS 109 -46.535 -9.551 -8.081 819 1HG LYS 109 2HG LYS 109 -45.220 -10.344 -5.613 820 2HG LYS 109 1HG LYS 109 -46.099 -8.821 -5.469 821 1HD LYS 109 2HD LYS 109 -47.918 -10.276 -6.813 822 2HD LYS 109 1HD LYS 109 -47.104 -11.563 -5.920 823 1HE LYS 109 2HE LYS 109 -47.962 -9.077 -4.501 824 2HE LYS 109 1HE LYS 109 -49.147 -10.329 -4.866 825 1HZ LYS 109 1HZ LYS 109 -48.224 -11.762 -3.396 826 2HZ LYS 109 2HZ LYS 109 -47.743 -10.325 -2.646 827 3HZ LYS 109 3HZ LYS 109 -46.651 -11.177 -3.614 828 H GLN 110 H GLN 110 -42.876 -11.063 -9.788 829 HA GLN 110 HA GLN 110 -44.962 -11.397 -11.842 830 1HB GLN 110 2HB GLN 110 -43.241 -10.846 -13.531 831 2HB GLN 110 1HB GLN 110 -43.557 -9.515 -12.427 832 1HG GLN 110 2HG GLN 110 -41.518 -10.571 -11.128 833 2HG GLN 110 1HG GLN 110 -41.134 -11.198 -12.730 834 1HE2 GLN 110 1HE2 GLN 110 -39.475 -9.434 -11.406 835 2HE2 GLN 110 2HE2 GLN 110 -39.467 -7.923 -12.243 836 H SER 111 H SER 111 -41.761 -12.508 -10.763 837 HA SER 111 HA SER 111 -42.459 -15.243 -11.107 838 1HB SER 111 2HB SER 111 -41.826 -14.153 -13.487 839 2HB SER 111 1HB SER 111 -40.211 -14.588 -12.930 840 HG SER 111 HG SER 111 -41.215 -16.723 -12.481 841 H ALA 112 H ALA 112 -41.349 -13.525 -9.080 842 HA ALA 112 HA ALA 112 -38.703 -14.775 -8.728 843 1HB ALA 112 1HB ALA 112 -38.124 -12.878 -7.275 844 2HB ALA 112 2HB ALA 112 -39.693 -12.150 -7.623 845 3HB ALA 112 3HB ALA 112 -38.514 -12.364 -8.916 846 H THR 113 H THR 113 -39.483 -16.632 -7.715 847 HA THR 113 HA THR 113 -41.251 -16.481 -5.468 848 HB THR 113 HB THR 113 -39.749 -18.955 -5.600 849 HG1 THR 113 1HG THR 113 -39.397 -18.650 -7.724 850 1HG2 THR 113 1HG2 THR 113 -42.417 -19.144 -6.618 851 2HG2 THR 113 2HG2 THR 113 -42.382 -18.142 -5.166 852 3HG2 THR 113 3HG2 THR 113 -41.735 -19.782 -5.121 853 H LYS 114 H LYS 114 -38.044 -18.031 -5.502 854 HA LYS 114 HA LYS 114 -37.225 -16.413 -3.238 855 1HB LYS 114 2HB LYS 114 -36.543 -18.549 -2.001 856 2HB LYS 114 1HB LYS 114 -38.247 -18.116 -1.990 857 1HG LYS 114 2HG LYS 114 -37.757 -19.759 -4.257 858 2HG LYS 114 1HG LYS 114 -37.046 -20.531 -2.838 859 1HD LYS 114 2HD LYS 114 -39.227 -20.184 -1.660 860 2HD LYS 114 1HD LYS 114 -39.902 -19.628 -3.192 861 1HE LYS 114 2HE LYS 114 -38.517 -22.145 -3.509 862 2HE LYS 114 1HE LYS 114 -39.761 -22.255 -2.265 863 1HZ LYS 114 1HZ LYS 114 -41.338 -21.301 -3.889 864 2HZ LYS 114 2HZ LYS 114 -40.717 -22.799 -4.371 865 3HZ LYS 114 3HZ LYS 114 -40.134 -21.376 -5.076 866 H ALA 115 H ALA 115 -36.399 -18.976 -5.513 867 HA ALA 115 HA ALA 115 -33.581 -18.674 -5.053 868 1HB ALA 115 1HB ALA 115 -33.682 -20.005 -7.391 869 2HB ALA 115 2HB ALA 115 -35.297 -20.349 -6.771 870 3HB ALA 115 3HB ALA 115 -33.876 -20.782 -5.820 871 H GLU 116 H GLU 116 -35.955 -17.158 -7.015 872 HA GLU 116 HA GLU 116 -34.046 -16.100 -8.911 873 1HB GLU 116 2HB GLU 116 -37.003 -15.651 -8.531 874 2HB GLU 116 1HB GLU 116 -36.056 -14.849 -9.775 875 1HG GLU 116 2HG GLU 116 -35.927 -17.808 -9.616 876 2HG GLU 116 1HG GLU 116 -37.397 -17.069 -10.249 877 H LEU 117 H LEU 117 -35.873 -14.914 -6.108 878 HA LEU 117 HA LEU 117 -34.854 -12.249 -6.549 879 1HB LEU 117 2HB LEU 117 -36.231 -11.472 -4.881 880 2HB LEU 117 1HB LEU 117 -37.146 -12.760 -5.586 881 HG LEU 117 HG LEU 117 -36.153 -12.416 -2.843 882 1HD1 LEU 117 1HD1 LEU 117 -38.538 -13.346 -4.321 883 2HD1 LEU 117 2HD1 LEU 117 -38.407 -12.285 -2.923 884 3HD1 LEU 117 3HD1 LEU 117 -38.276 -14.025 -2.721 885 1HD2 LEU 117 1HD2 LEU 117 -34.851 -14.300 -3.089 886 2HD2 LEU 117 2HD2 LEU 117 -35.939 -15.032 -4.269 887 3HD2 LEU 117 3HD2 LEU 117 -36.392 -14.967 -2.566 888 H ILE 118 H ILE 118 -33.795 -15.037 -4.911 889 HA ILE 118 HA ILE 118 -32.052 -13.546 -3.143 890 HB ILE 118 HB ILE 118 -33.019 -15.727 -2.436 891 1HG1 ILE 118 2HG1 ILE 118 -30.766 -14.634 -1.670 892 2HG1 ILE 118 1HG1 ILE 118 -31.188 -16.251 -1.122 893 1HG2 ILE 118 1HG2 ILE 118 -31.075 -16.951 -4.388 894 2HG2 ILE 118 2HG2 ILE 118 -32.828 -16.917 -4.580 895 3HG2 ILE 118 3HG2 ILE 118 -32.106 -17.811 -3.248 896 1HD1 ILE 118 1HD1 ILE 118 -29.447 -17.179 -2.174 897 2HD1 ILE 118 2HD1 ILE 118 -28.809 -15.536 -2.207 898 3HD1 ILE 118 3HD1 ILE 118 -29.654 -16.183 -3.614 899 H ALA 119 H ALA 119 -31.975 -14.966 -6.299 900 HA ALA 119 HA ALA 119 -29.078 -14.946 -6.464 901 1HB ALA 119 1HB ALA 119 -29.903 -15.401 -9.004 902 2HB ALA 119 2HB ALA 119 -31.291 -15.992 -8.089 903 3HB ALA 119 3HB ALA 119 -29.686 -16.658 -7.787 904 H LEU 120 H LEU 120 -31.811 -13.045 -7.568 905 HA LEU 120 HA LEU 120 -30.476 -11.426 -9.430 906 1HB LEU 120 2HB LEU 120 -33.056 -11.673 -8.522 907 2HB LEU 120 1HB LEU 120 -32.602 -10.089 -7.924 908 HG LEU 120 HG LEU 120 -32.057 -10.724 -10.786 909 1HD1 LEU 120 1HD1 LEU 120 -34.228 -11.402 -10.943 910 2HD1 LEU 120 2HD1 LEU 120 -34.454 -9.659 -11.087 911 3HD1 LEU 120 3HD1 LEU 120 -34.740 -10.460 -9.542 912 1HD2 LEU 120 1HD2 LEU 120 -32.806 -8.282 -10.913 913 2HD2 LEU 120 2HD2 LEU 120 -31.268 -8.625 -10.122 914 3HD2 LEU 120 3HD2 LEU 120 -32.702 -8.291 -9.152 915 H PHE 121 H PHE 121 -30.748 -11.223 -5.943 916 HA PHE 121 HA PHE 121 -29.899 -8.583 -5.584 917 1HB PHE 121 2HB PHE 121 -30.242 -10.955 -3.934 918 2HB PHE 121 1HB PHE 121 -28.882 -9.970 -3.404 919 HD1 PHE 121 1HD PHE 121 -29.387 -7.392 -3.260 920 HD2 PHE 121 2HD PHE 121 -32.328 -10.458 -3.145 921 HE1 PHE 121 1HE PHE 121 -30.939 -5.854 -2.137 922 HE2 PHE 121 2HE PHE 121 -33.884 -8.935 -2.019 923 HZ PHE 121 HZ PHE 121 -33.194 -6.622 -1.519 924 H ALA 122 H ALA 122 -28.231 -8.251 -7.125 925 HA ALA 122 HA ALA 122 -25.788 -9.721 -7.051 926 1HB ALA 122 1HB ALA 122 -25.754 -6.991 -8.169 927 2HB ALA 122 2HB ALA 122 -26.907 -8.114 -8.889 928 3HB ALA 122 3HB ALA 122 -25.189 -8.511 -8.863 929 HA PRO 123 HA PRO 123 -24.094 -7.688 -3.449 930 1HB PRO 123 2HB PRO 123 -21.530 -8.583 -3.735 931 2HB PRO 123 1HB PRO 123 -22.838 -9.564 -3.066 932 1HG PRO 123 2HG PRO 123 -21.708 -9.548 -5.838 933 2HG PRO 123 1HG PRO 123 -22.173 -10.929 -4.826 934 1HD PRO 123 2HD PRO 123 -23.756 -10.010 -6.804 935 2HD PRO 123 1HD PRO 123 -24.422 -10.680 -5.301 936 H ALA 124 H ALA 124 -22.798 -5.915 -2.970 937 HA ALA 124 HA ALA 124 -21.913 -4.383 -5.307 938 1HB ALA 124 1HB ALA 124 -21.973 -2.437 -3.809 939 2HB ALA 124 2HB ALA 124 -22.461 -3.489 -2.479 940 3HB ALA 124 3HB ALA 124 -23.524 -3.274 -3.870 941 H ASP 125 H ASP 125 -19.841 -3.746 -5.600 942 HA ASP 125 HA ASP 125 -17.871 -3.575 -3.611 943 1HB ASP 125 2HB ASP 125 -16.477 -5.560 -4.376 944 2HB ASP 125 1HB ASP 125 -17.893 -5.941 -3.401 945 H GLY 126 H GLY 126 -18.534 -4.301 -7.006 946 1HA GLY 126 2HA GLY 126 -16.206 -2.646 -7.751 947 2HA GLY 126 1HA GLY 126 -16.919 -3.886 -8.771 948 H GLU 127 H GLU 127 -18.275 -3.245 -10.307 949 HA GLU 127 HA GLU 127 -19.360 -1.788 -11.698 950 1HB GLU 127 2HB GLU 127 -21.381 -0.774 -10.660 951 2HB GLU 127 1HB GLU 127 -21.195 -2.487 -10.311 952 1HG GLU 127 2HG GLU 127 -20.430 -2.022 -8.096 953 2HG GLU 127 1HG GLU 127 -20.361 -0.292 -8.432 954 H LYS 128 H LYS 128 -17.117 -0.602 -11.497 955 HA LYS 128 HA LYS 128 -17.458 2.078 -10.376 956 1HB LYS 128 2HB LYS 128 -15.264 0.334 -10.586 957 2HB LYS 128 1HB LYS 128 -14.920 1.659 -11.689 958 1HG LYS 128 2HG LYS 128 -15.492 3.206 -9.748 959 2HG LYS 128 1HG LYS 128 -15.387 1.768 -8.731 960 1HD LYS 128 2HD LYS 128 -13.104 1.430 -9.299 961 2HD LYS 128 1HD LYS 128 -13.180 2.635 -10.586 962 1HE LYS 128 2HE LYS 128 -13.101 4.400 -9.125 963 2HE LYS 128 1HE LYS 128 -13.827 3.480 -7.808 964 1HZ LYS 128 1HZ LYS 128 -11.245 4.079 -7.923 965 2HZ LYS 128 2HZ LYS 128 -11.214 2.580 -8.707 966 3HZ LYS 128 3HZ LYS 128 -11.837 2.700 -7.139 967 H SER 129 H SER 129 -18.920 2.934 -11.883 968 HA SER 129 HA SER 129 -17.664 3.774 -14.381 969 1HB SER 129 2HB SER 129 -19.293 1.665 -14.552 970 2HB SER 129 1HB SER 129 -20.516 2.935 -14.584 971 HG SER 129 HG SER 129 -19.538 3.800 -16.395 972 H GLU 130 H GLU 130 -17.592 5.902 -13.924 973 HA GLU 130 HA GLU 130 -20.143 7.220 -13.257 974 1HB GLU 130 2HB GLU 130 -18.222 7.167 -11.489 975 2HB GLU 130 1HB GLU 130 -17.492 8.404 -12.503 976 1HG GLU 130 2HG GLU 130 -19.219 9.920 -12.104 977 2HG GLU 130 1HG GLU 130 -20.305 8.663 -11.510 978 H ALA 131 H ALA 131 -20.857 8.427 -14.873 979 HA ALA 131 HA ALA 131 -19.186 9.159 -17.080 980 1HB ALA 131 1HB ALA 131 -21.826 10.445 -16.824 981 2HB ALA 131 2HB ALA 131 -21.825 8.682 -16.854 982 3HB ALA 131 3HB ALA 131 -21.106 9.586 -18.186 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 19.067 2.578 30.020 2 2H GLY 1 2HT GLY 1 19.323 0.921 30.251 3 3H GLY 1 3HT GLY 1 18.402 1.460 28.937 4 1HA GLY 1 1HA GLY 1 21.089 2.536 29.082 5 2HA GLY 1 2HA GLY 1 20.989 0.808 28.780 6 H SER 2 H SER 2 21.729 3.245 27.108 7 HA SER 2 HA SER 2 19.733 3.197 25.006 8 1HB SER 2 2HB SER 2 21.010 4.926 23.960 9 2HB SER 2 1HB SER 2 21.012 5.276 25.689 10 HG SER 2 HG SER 2 23.088 4.064 25.673 11 H HIS 3 H HIS 3 20.367 2.779 22.748 12 HA HIS 3 HA HIS 3 22.616 0.949 22.405 13 1HB HIS 3 2HB HIS 3 20.225 -0.165 22.911 14 2HB HIS 3 1HB HIS 3 20.065 0.058 21.171 15 HD1 HIS 3 1HD HIS 3 21.364 -2.244 23.624 16 HD2 HIS 3 2HD HIS 3 22.315 -1.214 19.714 17 HE1 HIS 3 1HE HIS 3 22.769 -4.138 22.754 18 HE2 HIS 3 2HE HIS 3 23.251 -3.538 20.354 19 H MET 4 H MET 4 23.133 0.547 20.147 20 HA MET 4 HA MET 4 22.405 2.847 18.482 21 1HB MET 4 2HB MET 4 24.863 1.702 19.072 22 2HB MET 4 1HB MET 4 24.519 1.124 17.448 23 1HG MET 4 2HG MET 4 24.050 3.533 16.835 24 2HG MET 4 1HG MET 4 24.752 3.962 18.395 25 1HE MET 4 1HE MET 4 26.956 4.124 18.979 26 2HE MET 4 2HE MET 4 27.119 5.283 17.659 27 3HE MET 4 3HE MET 4 28.353 4.047 17.904 28 H ASP 5 H ASP 5 22.470 2.324 16.046 29 HA ASP 5 HA ASP 5 21.482 1.334 14.257 30 1HB ASP 5 2HB ASP 5 22.123 -1.097 15.918 31 2HB ASP 5 1HB ASP 5 21.341 -1.225 14.345 32 H LYS 6 H LYS 6 19.567 2.537 15.036 33 HA LYS 6 HA LYS 6 17.395 0.682 15.763 34 1HB LYS 6 2HB LYS 6 17.580 3.615 16.475 35 2HB LYS 6 1HB LYS 6 16.280 2.517 16.920 36 1HG LYS 6 2HG LYS 6 18.541 1.259 17.877 37 2HG LYS 6 1HG LYS 6 18.852 2.969 18.182 38 1HD LYS 6 2HD LYS 6 16.137 2.074 18.854 39 2HD LYS 6 1HD LYS 6 17.416 1.335 19.818 40 1HE LYS 6 2HE LYS 6 17.341 3.173 21.079 41 2HE LYS 6 1HE LYS 6 18.133 3.997 19.738 42 1HZ LYS 6 1HZ LYS 6 15.195 3.795 20.114 43 2HZ LYS 6 2HZ LYS 6 15.988 4.646 18.885 44 3HZ LYS 6 3HZ LYS 6 16.131 5.153 20.492 45 H THR 7 H THR 7 17.567 0.542 13.299 46 HA THR 7 HA THR 7 15.382 2.002 12.173 47 HB THR 7 HB THR 7 17.340 2.575 10.261 48 HG1 THR 7 1HG THR 7 18.953 3.581 11.335 49 1HG2 THR 7 1HG2 THR 7 16.809 4.834 10.610 50 2HG2 THR 7 2HG2 THR 7 16.330 4.540 12.282 51 3HG2 THR 7 3HG2 THR 7 15.340 3.923 10.960 52 H PHE 8 H PHE 8 14.628 1.050 10.241 53 HA PHE 8 HA PHE 8 16.194 -1.148 9.134 54 1HB PHE 8 2HB PHE 8 14.014 -2.554 9.188 55 2HB PHE 8 1HB PHE 8 15.030 -2.475 10.620 56 HD1 PHE 8 1HD PHE 8 12.951 0.423 9.773 57 HD2 PHE 8 2HD PHE 8 13.157 -3.227 11.962 58 HE1 PHE 8 1HE PHE 8 11.016 1.119 11.120 59 HE2 PHE 8 2HE PHE 8 11.222 -2.532 13.308 60 HZ PHE 8 HZ PHE 8 10.149 -0.358 12.889 61 H CYS 9 H CYS 9 15.943 -1.468 7.019 62 HA CYS 9 HA CYS 9 14.089 0.277 5.588 63 1HB CYS 9 2HB CYS 9 15.889 -1.624 4.144 64 2HB CYS 9 1HB CYS 9 15.436 0.026 3.728 65 HG CYS 9 HG CYS 9 17.440 0.871 4.868 66 H VAL 10 H VAL 10 12.128 -0.496 5.039 67 HA VAL 10 HA VAL 10 11.773 -3.420 4.962 68 HB VAL 10 HB VAL 10 10.408 -1.551 6.438 69 1HG1 VAL 10 1HG1 VAL 10 8.344 -2.419 4.478 70 2HG1 VAL 10 2HG1 VAL 10 9.304 -0.985 4.120 71 3HG1 VAL 10 3HG1 VAL 10 8.345 -1.053 5.592 72 1HG2 VAL 10 1HG2 VAL 10 10.490 -4.281 6.142 73 2HG2 VAL 10 2HG2 VAL 10 8.788 -3.891 5.894 74 3HG2 VAL 10 3HG2 VAL 10 9.603 -3.394 7.377 75 H VAL 11 H VAL 11 10.314 -4.320 3.392 76 HA VAL 11 HA VAL 11 9.755 -2.634 1.079 77 HB VAL 11 HB VAL 11 11.810 -3.620 0.472 78 1HG1 VAL 11 1HG1 VAL 11 12.127 -6.100 0.490 79 2HG1 VAL 11 2HG1 VAL 11 10.649 -6.210 1.447 80 3HG1 VAL 11 3HG1 VAL 11 12.046 -5.334 2.077 81 1HG2 VAL 11 1HG2 VAL 11 10.059 -5.569 -0.912 82 2HG2 VAL 11 2HG2 VAL 11 11.235 -4.432 -1.574 83 3HG2 VAL 11 3HG2 VAL 11 9.644 -3.861 -1.068 84 H VAL 12 H VAL 12 7.686 -2.779 0.658 85 HA VAL 12 HA VAL 12 6.151 -5.084 1.568 86 HB VAL 12 HB VAL 12 4.181 -3.714 0.985 87 1HG1 VAL 12 1HG1 VAL 12 4.591 -3.319 3.172 88 2HG1 VAL 12 2HG1 VAL 12 4.991 -1.708 2.579 89 3HG1 VAL 12 3HG1 VAL 12 6.274 -2.878 2.887 90 1HG2 VAL 12 1HG2 VAL 12 6.153 -2.197 -0.461 91 2HG2 VAL 12 2HG2 VAL 12 5.284 -1.159 0.668 92 3HG2 VAL 12 3HG2 VAL 12 4.394 -2.098 -0.528 93 H GLN 13 H GLN 13 6.010 -6.750 0.196 94 HA GLN 13 HA GLN 13 5.953 -6.273 -2.684 95 1HB GLN 13 2HB GLN 13 7.166 -8.225 -1.231 96 2HB GLN 13 1HB GLN 13 5.664 -9.033 -1.664 97 1HG GLN 13 2HG GLN 13 6.247 -8.174 -4.064 98 2HG GLN 13 1HG GLN 13 7.880 -8.081 -3.410 99 1HE2 GLN 13 1HE2 GLN 13 8.767 -10.043 -2.469 100 2HE2 GLN 13 2HE2 GLN 13 8.299 -11.573 -3.121 101 H ASN 14 H ASN 14 4.018 -5.814 -3.531 102 HA ASN 14 HA ASN 14 1.620 -6.908 -2.265 103 1HB ASN 14 2HB ASN 14 0.962 -5.232 -4.491 104 2HB ASN 14 1HB ASN 14 0.651 -4.963 -2.782 105 1HD2 ASN 14 1HD2 ASN 14 2.113 -3.767 -5.469 106 2HD2 ASN 14 2HD2 ASN 14 3.248 -2.696 -4.732 107 H ARG 15 H ARG 15 0.104 -8.103 -3.297 108 HA ARG 15 HA ARG 15 0.568 -8.938 -6.053 109 1HB ARG 15 2HB ARG 15 1.136 -10.578 -3.750 110 2HB ARG 15 1HB ARG 15 -0.172 -11.293 -4.681 111 1HG ARG 15 2HG ARG 15 2.363 -10.395 -5.998 112 2HG ARG 15 1HG ARG 15 2.227 -11.979 -5.236 113 1HD ARG 15 2HD ARG 15 0.114 -12.263 -6.664 114 2HD ARG 15 1HD ARG 15 0.715 -10.887 -7.587 115 HE ARG 15 HE ARG 15 2.299 -12.249 -8.522 116 1HH1 ARG 15 1HH1 ARG 15 0.946 -13.844 -5.729 117 2HH1 ARG 15 2HH1 ARG 15 1.741 -15.349 -6.048 118 1HH2 ARG 15 1HH2 ARG 15 3.345 -14.228 -8.943 119 2HH2 ARG 15 2HH2 ARG 15 3.103 -15.567 -7.872 120 H ILE 16 H ILE 16 -1.356 -7.231 -4.804 121 HA ILE 16 HA ILE 16 -3.820 -8.806 -4.813 122 HB ILE 16 HB ILE 16 -3.457 -5.896 -4.090 123 1HG1 ILE 16 2HG1 ILE 16 -4.030 -7.285 -1.770 124 2HG1 ILE 16 1HG1 ILE 16 -2.911 -8.356 -2.606 125 1HG2 ILE 16 1HG2 ILE 16 -5.641 -5.918 -3.282 126 2HG2 ILE 16 2HG2 ILE 16 -5.723 -7.680 -3.282 127 3HG2 ILE 16 3HG2 ILE 16 -5.744 -6.796 -4.808 128 1HD1 ILE 16 1HD1 ILE 16 -1.201 -6.769 -2.581 129 2HD1 ILE 16 2HD1 ILE 16 -1.942 -6.652 -0.986 130 3HD1 ILE 16 3HD1 ILE 16 -2.311 -5.448 -2.221 131 H LYS 17 H LYS 17 -2.696 -5.683 -6.171 132 HA LYS 17 HA LYS 17 -3.944 -6.347 -8.700 133 1HB LYS 17 2HB LYS 17 -4.728 -3.691 -7.583 134 2HB LYS 17 1HB LYS 17 -5.551 -4.691 -8.771 135 1HG LYS 17 2HG LYS 17 -6.132 -6.267 -6.915 136 2HG LYS 17 1HG LYS 17 -5.483 -5.073 -5.789 137 1HD LYS 17 2HD LYS 17 -7.306 -3.783 -5.944 138 2HD LYS 17 1HD LYS 17 -7.370 -3.935 -7.700 139 1HE LYS 17 2HE LYS 17 -8.707 -5.807 -7.624 140 2HE LYS 17 1HE LYS 17 -8.158 -6.263 -6.013 141 1HZ LYS 17 1HZ LYS 17 -9.358 -3.976 -5.456 142 2HZ LYS 17 2HZ LYS 17 -10.178 -5.455 -5.465 143 3HZ LYS 17 3HZ LYS 17 -10.275 -4.428 -6.805 144 H GLU 18 H GLU 18 -3.741 -4.149 -10.149 145 HA GLU 18 HA GLU 18 -0.913 -3.400 -9.901 146 1HB GLU 18 2HB GLU 18 -1.216 -2.683 -12.321 147 2HB GLU 18 1HB GLU 18 -1.310 -4.410 -12.003 148 1HG GLU 18 2HG GLU 18 -3.439 -4.543 -12.670 149 2HG GLU 18 1HG GLU 18 -3.885 -3.031 -11.881 150 H GLY 19 H GLY 19 -2.818 -2.121 -8.253 151 1HA GLY 19 2HA GLY 19 -2.124 0.527 -8.441 152 2HA GLY 19 1HA GLY 19 -3.600 0.388 -9.386 153 H TYR 20 H TYR 20 -2.234 -0.316 -6.187 154 HA TYR 20 HA TYR 20 -4.848 0.355 -5.027 155 1HB TYR 20 2HB TYR 20 -4.365 -2.156 -5.088 156 2HB TYR 20 1HB TYR 20 -3.080 -1.832 -3.930 157 HD1 TYR 20 1HD TYR 20 -6.298 -0.023 -3.889 158 HD2 TYR 20 2HD TYR 20 -4.012 -3.183 -2.185 159 HE1 TYR 20 1HE TYR 20 -7.917 -0.194 -2.049 160 HE2 TYR 20 2HE TYR 20 -5.626 -3.361 -0.340 161 HH TYR 20 HH TYR 20 -7.307 -2.057 0.770 162 H ARG 21 H ARG 21 -4.338 2.304 -4.310 163 HA ARG 21 HA ARG 21 -3.332 3.983 -3.180 164 1HB ARG 21 2HB ARG 21 -2.924 3.512 -0.827 165 2HB ARG 21 1HB ARG 21 -4.422 2.789 -1.395 166 1HG ARG 21 2HG ARG 21 -3.319 1.260 0.078 167 2HG ARG 21 1HG ARG 21 -3.272 0.613 -1.559 168 1HD ARG 21 2HD ARG 21 -0.999 0.983 -1.779 169 2HD ARG 21 1HD ARG 21 -0.990 2.252 -0.558 170 HE ARG 21 HE ARG 21 -0.804 -0.609 -0.115 171 1HH1 ARG 21 1HH1 ARG 21 -1.305 2.545 1.302 172 2HH1 ARG 21 2HH1 ARG 21 -0.834 2.041 2.890 173 1HH2 ARG 21 1HH2 ARG 21 -0.185 -1.268 1.973 174 2HH2 ARG 21 2HH2 ARG 21 -0.199 -0.122 3.271 175 H ARG 22 H ARG 22 -1.345 4.594 -1.758 176 HA ARG 22 HA ARG 22 0.887 4.909 -1.590 177 1HB ARG 22 2HB ARG 22 0.935 2.114 -2.708 178 2HB ARG 22 1HB ARG 22 2.420 3.026 -2.485 179 1HG ARG 22 2HG ARG 22 0.851 3.167 -0.100 180 2HG ARG 22 1HG ARG 22 1.032 1.484 -0.595 181 1HD ARG 22 2HD ARG 22 3.554 2.334 -0.950 182 2HD ARG 22 1HD ARG 22 3.056 3.416 0.350 183 HE ARG 22 HE ARG 22 3.252 1.650 1.765 184 1HH1 ARG 22 1HH1 ARG 22 2.615 0.406 -1.431 185 2HH1 ARG 22 2HH1 ARG 22 2.663 -1.250 -0.934 186 1HH2 ARG 22 1HH2 ARG 22 3.301 -0.532 2.427 187 2HH2 ARG 22 2HH2 ARG 22 3.049 -1.784 1.258 188 H ALA 23 H ALA 23 2.977 4.909 -3.176 189 HA ALA 23 HA ALA 23 3.866 5.870 -5.046 190 1HB ALA 23 1HB ALA 23 3.309 4.912 -7.028 191 2HB ALA 23 2HB ALA 23 1.577 5.127 -6.769 192 3HB ALA 23 3HB ALA 23 2.431 3.804 -5.973 193 H GLY 24 H GLY 24 1.424 7.062 -3.440 194 1HA GLY 24 2HA GLY 24 0.671 9.256 -3.363 195 2HA GLY 24 1HA GLY 24 1.346 9.518 -4.964 196 H PHE 25 H PHE 25 -0.584 6.707 -4.737 197 HA PHE 25 HA PHE 25 -3.165 7.709 -5.012 198 1HB PHE 25 2HB PHE 25 -3.530 7.697 -7.412 199 2HB PHE 25 1HB PHE 25 -2.268 8.849 -7.006 200 HD1 PHE 25 1HD PHE 25 0.130 7.243 -6.801 201 HD2 PHE 25 2HD PHE 25 -3.133 6.902 -9.517 202 HE1 PHE 25 1HE PHE 25 1.618 6.194 -8.454 203 HE2 PHE 25 2HE PHE 25 -1.650 5.844 -11.168 204 HZ PHE 25 HZ PHE 25 0.728 5.488 -10.638 205 H SER 26 H SER 26 -0.983 5.291 -6.424 206 HA SER 26 HA SER 26 -2.104 3.068 -5.263 207 1HB SER 26 2HB SER 26 -3.098 2.371 -7.758 208 2HB SER 26 1HB SER 26 -4.053 2.782 -6.333 209 HG SER 26 HG SER 26 -3.204 4.534 -8.399 210 H PHE 27 H PHE 27 -0.430 1.727 -5.322 211 HA PHE 27 HA PHE 27 1.546 1.949 -7.423 212 1HB PHE 27 2HB PHE 27 1.833 1.530 -4.805 213 2HB PHE 27 1HB PHE 27 1.750 -0.151 -5.322 214 HD1 PHE 27 2HD PHE 27 3.384 -0.936 -7.094 215 HD2 PHE 27 1HD PHE 27 3.804 2.755 -5.019 216 HE1 PHE 27 2HE PHE 27 5.763 -0.861 -7.716 217 HE2 PHE 27 1HE PHE 27 6.184 2.837 -5.638 218 HZ PHE 27 HZ PHE 27 7.166 1.027 -6.987 219 H HIS 28 H HIS 28 2.360 0.117 -8.605 220 HA HIS 28 HA HIS 28 0.224 -1.586 -9.561 221 1HB HIS 28 2HB HIS 28 3.092 -1.621 -10.487 222 2HB HIS 28 1HB HIS 28 1.655 -2.102 -11.382 223 HD1 HIS 28 1HD HIS 28 0.541 -0.350 -12.785 224 HD2 HIS 28 2HD HIS 28 3.331 1.252 -10.156 225 HE1 HIS 28 1HE HIS 28 0.755 2.071 -13.426 226 HE2 HIS 28 2HE HIS 28 2.510 3.001 -11.876 227 H LEU 29 H LEU 29 1.009 -3.925 -10.175 228 HA LEU 29 HA LEU 29 1.385 -5.318 -7.745 229 1HB LEU 29 2HB LEU 29 1.134 -6.043 -10.606 230 2HB LEU 29 1HB LEU 29 1.928 -7.218 -9.576 231 HG LEU 29 HG LEU 29 -0.879 -6.168 -9.327 232 1HD1 LEU 29 1HD1 LEU 29 -1.466 -8.538 -9.564 233 2HD1 LEU 29 2HD1 LEU 29 0.241 -8.927 -9.776 234 3HD1 LEU 29 3HD1 LEU 29 -0.589 -7.926 -10.967 235 1HD2 LEU 29 1HD2 LEU 29 -0.641 -6.412 -7.118 236 2HD2 LEU 29 2HD2 LEU 29 0.892 -7.266 -7.287 237 3HD2 LEU 29 3HD2 LEU 29 -0.629 -8.145 -7.448 238 H GLY 30 H GLY 30 3.268 -4.737 -6.762 239 1HA GLY 30 2HA GLY 30 5.627 -6.111 -7.610 240 2HA GLY 30 1HA GLY 30 5.769 -4.377 -7.848 241 H ASP 31 H ASP 31 7.240 -3.865 -6.328 242 HA ASP 31 HA ASP 31 6.361 -3.966 -3.568 243 1HB ASP 31 2HB ASP 31 8.419 -5.005 -2.738 244 2HB ASP 31 1HB ASP 31 7.568 -6.094 -3.830 245 H ASN 32 H ASN 32 7.333 -2.419 -2.253 246 HA ASN 32 HA ASN 32 9.194 -0.579 -3.612 247 1HB ASN 32 2HB ASN 32 6.600 0.041 -3.030 248 2HB ASN 32 1HB ASN 32 7.417 0.600 -1.573 249 1HD2 ASN 32 1HD2 ASN 32 7.977 0.649 -5.081 250 2HD2 ASN 32 2HD2 ASN 32 8.422 2.316 -5.156 251 H SER 33 H SER 33 10.950 0.058 -2.452 252 HA SER 33 HA SER 33 11.355 -1.240 0.111 253 1HB SER 33 2HB SER 33 13.248 0.463 -1.519 254 2HB SER 33 1HB SER 33 13.665 -0.418 -0.046 255 HG SER 33 HG SER 33 13.471 -1.319 -2.600 256 H LEU 34 H LEU 34 11.798 -0.244 2.004 257 HA LEU 34 HA LEU 34 11.065 2.601 2.163 258 1HB LEU 34 2HB LEU 34 9.402 1.225 3.235 259 2HB LEU 34 1HB LEU 34 10.623 0.325 4.105 260 HG LEU 34 HG LEU 34 9.179 2.115 5.294 261 1HD1 LEU 34 1HD1 LEU 34 10.704 0.861 6.503 262 2HD1 LEU 34 2HD1 LEU 34 11.257 2.516 6.759 263 3HD1 LEU 34 3HD1 LEU 34 12.080 1.475 5.591 264 1HD2 LEU 34 1HD2 LEU 34 11.388 3.984 5.000 265 2HD2 LEU 34 2HD2 LEU 34 9.651 4.277 5.029 266 3HD2 LEU 34 3HD2 LEU 34 10.438 3.805 3.525 267 H ALA 35 H ALA 35 12.378 3.968 3.304 268 HA ALA 35 HA ALA 35 15.084 3.234 3.664 269 1HB ALA 35 1HB ALA 35 13.584 5.636 3.524 270 2HB ALA 35 2HB ALA 35 15.334 5.423 3.454 271 3HB ALA 35 3HB ALA 35 14.537 5.670 5.008 272 H ALA 36 H ALA 36 16.269 3.412 5.668 273 HA ALA 36 HA ALA 36 15.024 1.897 7.704 274 1HB ALA 36 1HB ALA 36 17.587 2.298 6.974 275 2HB ALA 36 2HB ALA 36 17.103 1.601 8.519 276 3HB ALA 36 3HB ALA 36 17.503 3.315 8.412 277 H VAL 37 H VAL 37 13.472 2.695 8.866 278 HA VAL 37 HA VAL 37 13.843 5.281 10.230 279 HB VAL 37 HB VAL 37 11.151 4.135 9.508 280 1HG1 VAL 37 1HG1 VAL 37 10.797 6.780 9.574 281 2HG1 VAL 37 2HG1 VAL 37 12.156 6.649 10.689 282 3HG1 VAL 37 3HG1 VAL 37 10.667 5.757 11.004 283 1HG2 VAL 37 1HG2 VAL 37 11.557 4.550 7.361 284 2HG2 VAL 37 2HG2 VAL 37 13.086 5.351 7.727 285 3HG2 VAL 37 3HG2 VAL 37 11.576 6.262 7.785 286 H SER 38 H SER 38 12.445 5.434 12.237 287 HA SER 38 HA SER 38 13.128 3.463 14.062 288 1HB SER 38 2HB SER 38 11.056 4.571 15.342 289 2HB SER 38 1HB SER 38 12.597 5.404 15.152 290 HG SER 38 HG SER 38 10.144 5.932 14.007 291 H GLU 39 H GLU 39 9.790 4.131 12.965 292 HA GLU 39 HA GLU 39 9.251 1.330 12.613 293 1HB GLU 39 2HB GLU 39 9.034 2.136 15.177 294 2HB GLU 39 1HB GLU 39 7.410 2.495 14.608 295 1HG GLU 39 2HG GLU 39 7.442 0.092 13.684 296 2HG GLU 39 1HG GLU 39 8.808 -0.142 14.775 297 H SER 40 H SER 40 8.395 4.625 12.261 298 HA SER 40 HA SER 40 5.772 4.742 11.645 299 1HB SER 40 2HB SER 40 8.079 5.997 10.155 300 2HB SER 40 1HB SER 40 6.394 6.427 9.868 301 HG SER 40 HG SER 40 8.000 6.895 12.117 302 H GLN 41 H GLN 41 8.274 3.315 9.596 303 HA GLN 41 HA GLN 41 6.691 2.937 7.298 304 1HB GLN 41 2HB GLN 41 8.362 1.170 6.715 305 2HB GLN 41 1HB GLN 41 9.034 2.748 7.077 306 1HG GLN 41 2HG GLN 41 10.466 1.608 8.329 307 2HG GLN 41 1HG GLN 41 9.163 1.588 9.511 308 1HE2 GLN 41 1HE2 GLN 41 7.800 -0.350 7.441 309 2HE2 GLN 41 2HE2 GLN 41 8.503 -1.865 7.853 310 H LEU 42 H LEU 42 7.519 0.655 9.897 311 HA LEU 42 HA LEU 42 6.013 -1.492 8.967 312 1HB LEU 42 2HB LEU 42 7.662 -1.753 10.714 313 2HB LEU 42 1HB LEU 42 6.741 -0.719 11.790 314 HG LEU 42 HG LEU 42 4.891 -2.608 11.343 315 1HD1 LEU 42 1HD1 LEU 42 6.154 -3.996 9.894 316 2HD1 LEU 42 2HD1 LEU 42 6.089 -4.813 11.456 317 3HD1 LEU 42 3HD1 LEU 42 7.552 -3.958 10.970 318 1HD2 LEU 42 1HD2 LEU 42 6.046 -3.770 13.407 319 2HD2 LEU 42 2HD2 LEU 42 5.307 -2.174 13.546 320 3HD2 LEU 42 3HD2 LEU 42 7.055 -2.325 13.362 321 H ALA 43 H ALA 43 5.014 1.369 10.669 322 HA ALA 43 HA ALA 43 2.390 0.267 11.252 323 1HB ALA 43 1HB ALA 43 2.892 1.592 13.010 324 2HB ALA 43 2HB ALA 43 2.140 2.819 11.992 325 3HB ALA 43 3HB ALA 43 3.897 2.676 12.049 326 H GLN 44 H GLN 44 3.842 2.724 9.153 327 HA GLN 44 HA GLN 44 1.440 3.759 8.120 328 1HB GLN 44 2HB GLN 44 3.877 4.627 7.884 329 2HB GLN 44 1HB GLN 44 3.948 3.572 6.479 330 1HG GLN 44 2HG GLN 44 1.698 5.508 6.741 331 2HG GLN 44 1HG GLN 44 3.285 6.080 6.230 332 1HE2 GLN 44 1HE2 GLN 44 0.771 5.981 4.758 333 2HE2 GLN 44 2HE2 GLN 44 1.079 5.035 3.345 334 H LEU 45 H LEU 45 3.468 1.060 7.091 335 HA LEU 45 HA LEU 45 1.864 0.495 4.774 336 1HB LEU 45 2HB LEU 45 3.780 -1.439 6.013 337 2HB LEU 45 1HB LEU 45 3.368 -1.229 4.322 338 1HD1 LEU 45 1HD1 LEU 45 6.746 -0.235 4.286 339 2HD1 LEU 45 2HD1 LEU 45 5.799 -1.672 4.670 340 3HD1 LEU 45 3HD1 LEU 45 6.507 -0.712 5.966 341 1HD2 LEU 45 1HD2 LEU 45 3.620 1.344 3.706 342 2HD2 LEU 45 2HD2 LEU 45 4.940 0.459 2.940 343 3HD2 LEU 45 3HD2 LEU 45 5.283 1.901 3.895 344 H LYS 46 H LYS 46 2.202 -0.819 8.023 345 HA LYS 46 HA LYS 46 0.510 -3.053 7.665 346 1HB LYS 46 2HB LYS 46 2.103 -2.866 9.523 347 2HB LYS 46 1HB LYS 46 1.166 -1.541 10.199 348 1HG LYS 46 2HG LYS 46 -0.545 -3.793 9.775 349 2HG LYS 46 1HG LYS 46 0.883 -4.294 10.683 350 1HD LYS 46 2HD LYS 46 -0.692 -1.846 11.429 351 2HD LYS 46 1HD LYS 46 -1.133 -3.451 12.015 352 1HE LYS 46 2HE LYS 46 1.591 -2.212 12.367 353 2HE LYS 46 1HE LYS 46 0.309 -2.136 13.575 354 1HZ LYS 46 1HZ LYS 46 0.370 -4.742 13.134 355 2HZ LYS 46 2HZ LYS 46 1.339 -3.991 14.300 356 3HZ LYS 46 3HZ LYS 46 1.987 -4.379 12.787 357 H ALA 47 H ALA 47 -0.217 0.253 7.802 358 HA ALA 47 HA ALA 47 -2.556 0.495 9.194 359 1HB ALA 47 1HB ALA 47 -2.181 1.710 6.469 360 2HB ALA 47 2HB ALA 47 -1.329 2.282 7.902 361 3HB ALA 47 3HB ALA 47 -3.090 2.355 7.836 362 H ASP 48 H ASP 48 -2.045 -1.204 6.194 363 HA ASP 48 HA ASP 48 -4.873 -2.012 6.234 364 1HB ASP 48 2HB ASP 48 -4.669 -2.176 3.693 365 2HB ASP 48 1HB ASP 48 -4.775 -0.557 4.377 366 HA PRO 49 HA PRO 49 -2.808 -5.984 6.830 367 1HB PRO 49 2HB PRO 49 -5.615 -6.823 6.264 368 2HB PRO 49 1HB PRO 49 -4.521 -7.349 7.550 369 1HG PRO 49 2HG PRO 49 -6.488 -5.647 8.080 370 2HG PRO 49 1HG PRO 49 -4.889 -5.436 8.820 371 1HD PRO 49 2HD PRO 49 -6.151 -3.937 6.568 372 2HD PRO 49 1HD PRO 49 -5.078 -3.350 7.855 373 H ARG 50 H ARG 50 -4.751 -4.926 4.132 374 HA ARG 50 HA ARG 50 -4.747 -7.033 2.403 375 1HB ARG 50 2HB ARG 50 -4.228 -4.121 1.799 376 2HB ARG 50 1HB ARG 50 -4.549 -5.329 0.563 377 1HG ARG 50 2HG ARG 50 -6.458 -4.876 2.826 378 2HG ARG 50 1HG ARG 50 -6.493 -3.876 1.373 379 1HD ARG 50 2HD ARG 50 -7.950 -5.479 0.701 380 2HD ARG 50 1HD ARG 50 -6.455 -6.278 0.217 381 HE ARG 50 HE ARG 50 -6.929 -7.903 1.733 382 1HH1 ARG 50 1HH1 ARG 50 -8.569 -4.989 2.730 383 2HH1 ARG 50 2HH1 ARG 50 -9.354 -5.742 4.078 384 1HH2 ARG 50 1HH2 ARG 50 -7.961 -8.896 3.504 385 2HH2 ARG 50 2HH2 ARG 50 -9.008 -7.960 4.517 386 H LEU 51 H LEU 51 -2.176 -4.553 2.377 387 HA LEU 51 HA LEU 51 -0.432 -6.254 0.858 388 1HB LEU 51 2HB LEU 51 -0.067 -3.566 2.165 389 2HB LEU 51 1HB LEU 51 1.235 -4.389 1.326 390 HG LEU 51 HG LEU 51 -0.364 -4.447 -0.694 391 1HD1 LEU 51 1HD1 LEU 51 -2.398 -3.825 0.465 392 2HD1 LEU 51 2HD1 LEU 51 -1.989 -2.604 -0.742 393 3HD1 LEU 51 3HD1 LEU 51 -1.672 -2.297 0.967 394 1HD2 LEU 51 1HD2 LEU 51 0.234 -2.035 -1.228 395 2HD2 LEU 51 2HD2 LEU 51 1.568 -3.115 -0.825 396 3HD2 LEU 51 3HD2 LEU 51 0.963 -1.974 0.377 397 H VAL 52 H VAL 52 1.909 -6.527 1.662 398 HA VAL 52 HA VAL 52 1.834 -7.434 4.470 399 HB VAL 52 HB VAL 52 3.627 -8.653 2.409 400 1HG1 VAL 52 1HG1 VAL 52 3.362 -10.632 3.945 401 2HG1 VAL 52 2HG1 VAL 52 2.545 -9.542 5.064 402 3HG1 VAL 52 3HG1 VAL 52 4.225 -9.246 4.610 403 1HG2 VAL 52 1HG2 VAL 52 1.675 -10.493 2.552 404 2HG2 VAL 52 2HG2 VAL 52 1.758 -9.261 1.292 405 3HG2 VAL 52 3HG2 VAL 52 0.716 -9.020 2.695 406 H VAL 53 H VAL 53 2.983 -6.036 5.636 407 HA VAL 53 HA VAL 53 5.517 -5.010 4.545 408 HB VAL 53 HB VAL 53 4.205 -3.176 5.154 409 1HG1 VAL 53 1HG1 VAL 53 2.394 -3.920 6.350 410 2HG1 VAL 53 2HG1 VAL 53 3.299 -3.084 7.612 411 3HG1 VAL 53 3HG1 VAL 53 3.384 -4.841 7.482 412 1HG2 VAL 53 1HG2 VAL 53 5.364 -2.112 6.992 413 2HG2 VAL 53 2HG2 VAL 53 6.503 -3.040 6.015 414 3HG2 VAL 53 3HG2 VAL 53 5.943 -3.677 7.561 415 H GLN 54 H GLN 54 7.200 -6.174 5.137 416 HA GLN 54 HA GLN 54 7.365 -7.106 7.929 417 1HB GLN 54 2HB GLN 54 7.921 -8.593 5.391 418 2HB GLN 54 1HB GLN 54 8.806 -9.006 6.852 419 1HG GLN 54 2HG GLN 54 6.416 -9.112 7.906 420 2HG GLN 54 1HG GLN 54 5.913 -9.325 6.230 421 1HE2 GLN 54 1HE2 GLN 54 6.746 -11.128 5.060 422 2HE2 GLN 54 2HE2 GLN 54 7.252 -12.552 5.894 423 H ILE 55 H ILE 55 9.162 -6.577 9.000 424 HA ILE 55 HA ILE 55 11.228 -5.051 7.625 425 HB ILE 55 HB ILE 55 12.080 -4.533 9.844 426 1HG1 ILE 55 2HG1 ILE 55 10.415 -5.379 11.754 427 2HG1 ILE 55 1HG1 ILE 55 10.226 -6.727 10.638 428 1HG2 ILE 55 1HG2 ILE 55 10.399 -3.059 9.130 429 2HG2 ILE 55 2HG2 ILE 55 9.975 -3.473 10.790 430 3HG2 ILE 55 3HG2 ILE 55 9.119 -4.229 9.446 431 1HD1 ILE 55 1HD1 ILE 55 12.332 -6.195 12.483 432 2HD1 ILE 55 2HD1 ILE 55 12.985 -6.242 10.845 433 3HD1 ILE 55 3HD1 ILE 55 12.068 -7.614 11.468 434 H THR 56 H THR 56 13.397 -5.587 7.560 435 HA THR 56 HA THR 56 14.069 -8.346 8.342 436 HB THR 56 HB THR 56 15.683 -8.281 6.383 437 HG1 THR 56 1HG THR 56 15.495 -5.955 6.127 438 1HG2 THR 56 1HG2 THR 56 14.209 -9.311 5.061 439 2HG2 THR 56 2HG2 THR 56 13.078 -7.958 5.092 440 3HG2 THR 56 3HG2 THR 56 13.111 -9.112 6.427 441 H GLU 57 H GLU 57 15.262 -8.101 10.128 442 HA GLU 57 HA GLU 57 16.997 -5.879 10.569 443 1HB GLU 57 2HB GLU 57 15.809 -7.787 12.173 444 2HB GLU 57 1HB GLU 57 17.505 -8.241 12.219 445 1HG GLU 57 2HG GLU 57 17.761 -6.723 13.809 446 2HG GLU 57 1HG GLU 57 17.537 -5.496 12.564 447 H THR 58 H THR 58 18.375 -5.936 8.744 448 HA THR 58 HA THR 58 19.889 -7.999 7.776 449 HB THR 58 HB THR 58 21.527 -6.295 7.052 450 HG1 THR 58 1HG THR 58 21.130 -4.124 7.690 451 1HG2 THR 58 1HG2 THR 58 19.867 -4.657 6.009 452 2HG2 THR 58 2HG2 THR 58 18.621 -5.655 6.759 453 3HG2 THR 58 3HG2 THR 58 19.730 -6.362 5.584 454 H GLY 59 H GLY 59 20.694 -9.438 9.256 455 1HA GLY 59 2HA GLY 59 23.207 -9.361 10.179 456 2HA GLY 59 1HA GLY 59 22.351 -8.504 11.452 457 H SER 60 H SER 60 20.261 -9.734 12.152 458 HA SER 60 HA SER 60 19.365 -11.525 13.225 459 1HB SER 60 2HB SER 60 19.131 -12.584 11.092 460 2HB SER 60 1HB SER 60 20.845 -12.994 11.037 461 HG SER 60 HG SER 60 19.054 -14.587 11.811 462 H GLN 61 H GLN 61 22.387 -13.133 12.298 463 HA GLN 61 HA GLN 61 23.103 -13.235 15.156 464 1HB GLN 61 2HB GLN 61 22.482 -15.383 13.591 465 2HB GLN 61 1HB GLN 61 24.230 -15.319 13.405 466 1HG GLN 61 2HG GLN 61 24.259 -15.163 15.983 467 2HG GLN 61 1HG GLN 61 22.608 -15.772 15.872 468 1HE2 GLN 61 1HE2 GLN 61 24.044 -17.387 17.214 469 2HE2 GLN 61 2HE2 GLN 61 24.613 -18.743 16.308 470 H GLU 62 H GLU 62 25.502 -13.680 15.477 471 HA GLU 62 HA GLU 62 26.968 -11.653 14.055 472 1HB GLU 62 2HB GLU 62 28.096 -13.585 16.073 473 2HB GLU 62 1HB GLU 62 28.689 -11.983 15.658 474 1HG GLU 62 2HG GLU 62 26.155 -11.441 16.505 475 2HG GLU 62 1HG GLU 62 26.613 -12.791 17.545 476 H GLY 63 H GLY 63 26.928 -12.606 11.929 477 1HA GLY 63 2HA GLY 63 28.414 -13.446 10.302 478 2HA GLY 63 1HA GLY 63 29.190 -14.416 11.544 479 H GLY 64 H GLY 64 27.993 -15.018 8.820 480 1HA GLY 64 2HA GLY 64 27.393 -17.559 8.831 481 2HA GLY 64 1HA GLY 64 25.927 -16.956 9.587 482 H GLU 65 H GLU 65 24.611 -17.681 7.909 483 HA GLU 65 HA GLU 65 23.444 -17.512 5.965 484 1HB GLU 65 2HB GLU 65 24.698 -14.804 6.184 485 2HB GLU 65 1HB GLU 65 23.835 -15.235 4.713 486 1HG GLU 65 2HG GLU 65 22.183 -14.225 5.934 487 2HG GLU 65 1HG GLU 65 21.937 -15.920 6.353 488 H GLY 66 H GLY 66 23.985 -18.849 4.379 489 1HA GLY 66 2HA GLY 66 25.673 -18.149 2.258 490 2HA GLY 66 1HA GLY 66 26.594 -19.158 3.364 491 H LEU 67 H LEU 67 24.379 -20.796 4.189 492 HA LEU 67 HA LEU 67 24.513 -22.806 2.236 493 1HB LEU 67 2HB LEU 67 23.154 -22.391 4.796 494 2HB LEU 67 1HB LEU 67 22.262 -23.423 3.695 495 HG LEU 67 HG LEU 67 25.146 -24.022 4.086 496 1HD1 LEU 67 1HD1 LEU 67 23.050 -24.770 6.118 497 2HD1 LEU 67 2HD1 LEU 67 24.307 -23.557 6.362 498 3HD1 LEU 67 3HD1 LEU 67 24.749 -25.247 6.121 499 1HD2 LEU 67 1HD2 LEU 67 22.650 -25.413 3.326 500 2HD2 LEU 67 2HD2 LEU 67 23.847 -26.355 4.215 501 3HD2 LEU 67 3HD2 LEU 67 24.286 -25.586 2.691 502 H SER 68 H SER 68 22.244 -20.202 2.752 503 HA SER 68 HA SER 68 20.492 -19.420 1.529 504 1HB SER 68 2HB SER 68 21.985 -21.004 -0.550 505 2HB SER 68 1HB SER 68 20.471 -20.189 -0.943 506 HG SER 68 HG SER 68 21.522 -18.253 -0.058 507 H LYS 69 H LYS 69 18.596 -20.252 0.020 508 HA LYS 69 HA LYS 69 17.275 -22.285 1.519 509 1HB LYS 69 2HB LYS 69 16.413 -20.200 0.014 510 2HB LYS 69 1HB LYS 69 16.141 -21.529 -1.101 511 1HG LYS 69 2HG LYS 69 14.277 -22.060 -0.043 512 2HG LYS 69 1HG LYS 69 15.180 -22.315 1.451 513 1HD LYS 69 2HD LYS 69 14.739 -19.495 0.817 514 2HD LYS 69 1HD LYS 69 13.248 -20.407 1.060 515 1HE LYS 69 2HE LYS 69 15.338 -20.966 3.036 516 2HE LYS 69 1HE LYS 69 14.760 -19.300 3.046 517 1HZ LYS 69 1HZ LYS 69 13.575 -21.285 4.364 518 2HZ LYS 69 2HZ LYS 69 12.703 -21.342 2.916 519 3HZ LYS 69 3HZ LYS 69 12.753 -19.911 3.815 520 H GLU 70 H GLU 70 17.701 -22.187 -2.026 521 HA GLU 70 HA GLU 70 19.162 -24.486 -2.378 522 1HB GLU 70 2HB GLU 70 16.455 -25.069 -1.534 523 2HB GLU 70 1HB GLU 70 16.769 -25.741 -3.128 524 1HG GLU 70 2HG GLU 70 18.518 -27.081 -2.344 525 2HG GLU 70 1HG GLU 70 18.655 -26.171 -0.840 526 HA PRO 71 HA PRO 71 16.568 -23.647 -6.431 527 1HB PRO 71 2HB PRO 71 15.084 -21.210 -5.655 528 2HB PRO 71 1HB PRO 71 14.532 -22.623 -6.558 529 1HG PRO 71 2HG PRO 71 13.747 -22.199 -4.038 530 2HG PRO 71 1HG PRO 71 14.073 -23.835 -4.641 531 1HD PRO 71 2HD PRO 71 15.779 -22.070 -2.926 532 2HD PRO 71 1HD PRO 71 15.488 -23.817 -2.805 533 H ALA 72 H ALA 72 16.827 -21.930 -8.095 534 HA ALA 72 HA ALA 72 18.915 -20.006 -7.296 535 1HB ALA 72 1HB ALA 72 18.597 -21.341 -9.981 536 2HB ALA 72 2HB ALA 72 19.742 -21.832 -8.733 537 3HB ALA 72 3HB ALA 72 19.893 -20.248 -9.493 538 H GLY 73 H GLY 73 16.102 -20.567 -9.355 539 1HA GLY 73 2HA GLY 73 16.083 -17.804 -10.258 540 2HA GLY 73 1HA GLY 73 14.948 -19.062 -10.723 541 H SER 74 H SER 74 14.135 -16.479 -10.077 542 HA SER 74 HA SER 74 13.047 -16.653 -7.368 543 1HB SER 74 2HB SER 74 13.514 -14.456 -9.314 544 2HB SER 74 1HB SER 74 12.128 -14.283 -8.238 545 HG SER 74 HG SER 74 13.731 -13.459 -7.059 546 H ASP 75 H ASP 75 11.531 -18.325 -7.761 547 HA ASP 75 HA ASP 75 9.238 -17.521 -9.429 548 1HB ASP 75 2HB ASP 75 8.691 -19.936 -9.568 549 2HB ASP 75 1HB ASP 75 10.268 -19.560 -10.258 550 H GLU 76 H GLU 76 10.246 -18.868 -6.337 551 HA GLU 76 HA GLU 76 9.212 -19.010 -4.318 552 1HB GLU 76 2HB GLU 76 8.233 -16.616 -5.535 553 2HB GLU 76 1HB GLU 76 6.914 -17.367 -4.648 554 1HG GLU 76 2HG GLU 76 9.577 -17.057 -3.344 555 2HG GLU 76 1HG GLU 76 8.499 -15.669 -3.475 556 H GLN 77 H GLN 77 6.613 -19.039 -3.491 557 HA GLN 77 HA GLN 77 4.785 -20.383 -3.326 558 1HB GLN 77 2HB GLN 77 4.992 -20.763 -6.312 559 2HB GLN 77 1HB GLN 77 3.553 -20.883 -5.309 560 1HG GLN 77 2HG GLN 77 3.647 -18.494 -4.862 561 2HG GLN 77 1HG GLN 77 5.113 -18.364 -5.834 562 1HE2 GLN 77 1HE2 GLN 77 1.786 -18.141 -5.840 563 2HE2 GLN 77 2HE2 GLN 77 1.521 -18.147 -7.548 564 H LYS 78 H LYS 78 3.958 -22.664 -3.846 565 HA LYS 78 HA LYS 78 6.143 -24.485 -3.379 566 1HB LYS 78 2HB LYS 78 3.245 -24.491 -3.039 567 2HB LYS 78 1HB LYS 78 3.853 -26.022 -3.654 568 1HG LYS 78 2HG LYS 78 4.509 -26.596 -1.624 569 2HG LYS 78 1HG LYS 78 5.556 -25.178 -1.543 570 1HD LYS 78 2HD LYS 78 4.238 -24.589 0.182 571 2HD LYS 78 1HD LYS 78 3.124 -24.062 -1.081 572 1HE LYS 78 2HE LYS 78 2.490 -26.688 -0.906 573 2HE LYS 78 1HE LYS 78 2.958 -26.351 0.760 574 1HZ LYS 78 1HZ LYS 78 0.823 -25.706 0.909 575 2HZ LYS 78 2HZ LYS 78 0.665 -25.403 -0.748 576 3HZ LYS 78 3HZ LYS 78 1.402 -24.258 0.255 577 H GLN 79 H GLN 79 5.956 -26.710 -4.534 578 HA GLN 79 HA GLN 79 6.319 -26.190 -7.348 579 1HB GLN 79 2HB GLN 79 7.570 -27.858 -5.646 580 2HB GLN 79 1HB GLN 79 6.394 -28.974 -6.327 581 1HG GLN 79 2HG GLN 79 7.458 -29.089 -8.284 582 2HG GLN 79 1HG GLN 79 7.767 -27.354 -8.328 583 1HE2 GLN 79 1HE2 GLN 79 9.840 -26.928 -8.442 584 2HE2 GLN 79 2HE2 GLN 79 11.110 -27.790 -7.647 585 H LEU 80 H LEU 80 3.867 -25.584 -7.265 586 HA LEU 80 HA LEU 80 2.490 -27.563 -8.762 587 1HB LEU 80 2HB LEU 80 2.231 -28.336 -6.339 588 2HB LEU 80 1HB LEU 80 1.212 -26.927 -6.114 589 HG LEU 80 HG LEU 80 -0.283 -27.782 -7.917 590 1HD1 LEU 80 1HD1 LEU 80 -0.027 -30.243 -8.426 591 2HD1 LEU 80 2HD1 LEU 80 1.610 -30.112 -7.783 592 3HD1 LEU 80 3HD1 LEU 80 1.138 -29.165 -9.195 593 1HD2 LEU 80 1HD2 LEU 80 -0.289 -28.363 -5.304 594 2HD2 LEU 80 2HD2 LEU 80 -0.152 -29.993 -5.963 595 3HD2 LEU 80 3HD2 LEU 80 -1.507 -28.965 -6.427 596 H ARG 81 H ARG 81 2.088 -26.016 -10.276 597 HA ARG 81 HA ARG 81 -0.098 -24.239 -9.796 598 1HB ARG 81 2HB ARG 81 2.389 -23.196 -9.169 599 2HB ARG 81 1HB ARG 81 2.104 -22.606 -10.801 600 1HG ARG 81 2HG ARG 81 -0.284 -22.260 -9.295 601 2HG ARG 81 1HG ARG 81 1.070 -21.619 -8.362 602 1HD ARG 81 2HD ARG 81 0.257 -20.877 -11.166 603 2HD ARG 81 1HD ARG 81 0.205 -19.857 -9.729 604 HE ARG 81 HE ARG 81 2.827 -20.559 -9.957 605 1HH1 ARG 81 1HH1 ARG 81 0.508 -19.057 -12.089 606 2HH1 ARG 81 2HH1 ARG 81 1.700 -18.127 -12.934 607 1HH2 ARG 81 1HH2 ARG 81 4.396 -19.339 -11.067 608 2HH2 ARG 81 2HH2 ARG 81 3.907 -18.287 -12.355 609 H ALA 82 H ALA 82 -1.161 -23.790 -11.652 610 HA ALA 82 HA ALA 82 0.050 -23.645 -14.208 611 1HB ALA 82 1HB ALA 82 -0.902 -25.685 -15.198 612 2HB ALA 82 2HB ALA 82 -1.426 -26.202 -13.596 613 3HB ALA 82 3HB ALA 82 0.294 -26.044 -13.952 614 H ASP 83 H ASP 83 -3.009 -24.847 -12.815 615 HA ASP 83 HA ASP 83 -4.395 -22.666 -14.222 616 1HB ASP 83 2HB ASP 83 -4.681 -24.957 -15.297 617 2HB ASP 83 1HB ASP 83 -5.575 -25.418 -13.851 618 HA PRO 84 HA PRO 84 -6.019 -21.880 -10.163 619 1HB PRO 84 2HB PRO 84 -7.897 -20.061 -10.791 620 2HB PRO 84 1HB PRO 84 -6.170 -19.696 -10.893 621 1HG PRO 84 2HG PRO 84 -8.080 -20.440 -13.075 622 2HG PRO 84 1HG PRO 84 -6.825 -19.186 -13.067 623 1HD PRO 84 2HD PRO 84 -6.495 -21.637 -14.224 624 2HD PRO 84 1HD PRO 84 -5.156 -20.683 -13.558 625 HA PRO 85 HA PRO 85 -9.543 -24.740 -10.439 626 1HB PRO 85 2HB PRO 85 -9.365 -25.699 -7.937 627 2HB PRO 85 1HB PRO 85 -8.247 -26.209 -9.208 628 1HG PRO 85 2HG PRO 85 -7.845 -24.198 -7.027 629 2HG PRO 85 1HG PRO 85 -6.733 -25.448 -7.614 630 1HD PRO 85 2HD PRO 85 -6.588 -22.818 -8.356 631 2HD PRO 85 1HD PRO 85 -6.019 -24.158 -9.369 632 H SER 86 H SER 86 -8.901 -22.213 -8.109 633 HA SER 86 HA SER 86 -11.263 -22.208 -6.649 634 1HB SER 86 2HB SER 86 -10.152 -19.558 -7.384 635 2HB SER 86 1HB SER 86 -10.537 -20.220 -5.795 636 HG SER 86 HG SER 86 -8.198 -20.430 -7.300 637 H THR 87 H THR 87 -10.529 -20.536 -9.699 638 HA THR 87 HA THR 87 -13.282 -19.637 -9.925 639 HB THR 87 HB THR 87 -11.151 -19.304 -12.024 640 HG1 THR 87 1HG THR 87 -10.298 -18.587 -10.033 641 1HG2 THR 87 1HG2 THR 87 -13.188 -17.270 -11.245 642 2HG2 THR 87 2HG2 THR 87 -13.618 -18.595 -12.328 643 3HG2 THR 87 3HG2 THR 87 -12.330 -17.475 -12.772 644 H ASP 88 H ASP 88 -14.008 -21.938 -9.961 645 HA ASP 88 HA ASP 88 -14.181 -22.845 -12.743 646 1HB ASP 88 2HB ASP 88 -13.084 -24.352 -10.438 647 2HB ASP 88 1HB ASP 88 -14.184 -25.239 -11.490 648 H LEU 89 H LEU 89 -15.349 -23.589 -9.459 649 HA LEU 89 HA LEU 89 -17.888 -24.503 -10.361 650 1HB LEU 89 2HB LEU 89 -16.882 -25.258 -8.260 651 2HB LEU 89 1HB LEU 89 -16.989 -23.631 -7.615 652 HG LEU 89 HG LEU 89 -19.475 -23.780 -7.808 653 1HD1 LEU 89 1HD1 LEU 89 -20.560 -25.581 -8.614 654 2HD1 LEU 89 2HD1 LEU 89 -19.377 -26.717 -7.966 655 3HD1 LEU 89 3HD1 LEU 89 -19.045 -25.861 -9.471 656 1HD2 LEU 89 1HD2 LEU 89 -18.943 -26.071 -6.105 657 2HD2 LEU 89 2HD2 LEU 89 -19.505 -24.453 -5.683 658 3HD2 LEU 89 3HD2 LEU 89 -17.780 -24.768 -5.862 659 H ASN 90 H ASN 90 -16.576 -21.394 -9.811 660 HA ASN 90 HA ASN 90 -18.666 -19.863 -8.912 661 1HB ASN 90 2HB ASN 90 -16.365 -19.370 -10.723 662 2HB ASN 90 1HB ASN 90 -17.648 -18.164 -10.723 663 1HD2 ASN 90 1HD2 ASN 90 -14.805 -18.262 -9.695 664 2HD2 ASN 90 2HD2 ASN 90 -14.927 -17.683 -8.071 665 H THR 91 H THR 91 -18.068 -20.857 -12.284 666 HA THR 91 HA THR 91 -20.257 -19.515 -13.413 667 HB THR 91 HB THR 91 -20.010 -21.331 -15.228 668 HG1 THR 91 1HG THR 91 -17.603 -21.890 -13.871 669 1HG2 THR 91 1HG2 THR 91 -17.682 -20.486 -15.856 670 2HG2 THR 91 2HG2 THR 91 -17.819 -19.459 -14.429 671 3HG2 THR 91 3HG2 THR 91 -18.990 -19.309 -15.739 672 H PHE 92 H PHE 92 -20.333 -22.129 -11.269 673 HA PHE 92 HA PHE 92 -22.859 -23.159 -12.327 674 1HB PHE 92 2HB PHE 92 -21.119 -24.193 -10.081 675 2HB PHE 92 1HB PHE 92 -22.553 -24.979 -10.712 676 HD1 PHE 92 2HD PHE 92 -19.303 -23.630 -11.950 677 HD2 PHE 92 1HD PHE 92 -22.254 -26.685 -12.217 678 HE1 PHE 92 2HE PHE 92 -17.920 -24.817 -13.602 679 HE2 PHE 92 1HE PHE 92 -20.875 -27.878 -13.867 680 HZ PHE 92 HZ PHE 92 -18.705 -26.944 -14.563 681 H THR 93 H THR 93 -24.782 -22.888 -11.268 682 HA THR 93 HA THR 93 -24.688 -21.401 -8.730 683 HB THR 93 HB THR 93 -27.049 -20.575 -9.699 684 HG1 THR 93 1HG THR 93 -26.505 -21.798 -11.693 685 1HG2 THR 93 1HG2 THR 93 -25.301 -19.064 -8.968 686 2HG2 THR 93 2HG2 THR 93 -25.976 -18.546 -10.513 687 3HG2 THR 93 3HG2 THR 93 -24.408 -19.353 -10.460 688 H VAL 94 H VAL 94 -27.705 -22.343 -10.212 689 HA VAL 94 HA VAL 94 -27.940 -24.664 -8.455 690 HB VAL 94 HB VAL 94 -30.268 -23.851 -7.791 691 1HG1 VAL 94 1HG1 VAL 94 -29.461 -22.931 -5.815 692 2HG1 VAL 94 2HG1 VAL 94 -28.110 -22.133 -6.622 693 3HG1 VAL 94 3HG1 VAL 94 -28.096 -23.883 -6.399 694 1HG2 VAL 94 1HG2 VAL 94 -30.311 -21.281 -7.643 695 2HG2 VAL 94 2HG2 VAL 94 -30.702 -22.036 -9.187 696 3HG2 VAL 94 3HG2 VAL 94 -29.107 -21.330 -8.928 697 H GLU 95 H GLU 95 -29.191 -22.751 -11.108 698 HA GLU 95 HA GLU 95 -31.067 -24.784 -11.925 699 1HB GLU 95 2HB GLU 95 -31.588 -23.286 -13.771 700 2HB GLU 95 1HB GLU 95 -31.582 -22.400 -12.253 701 1HG GLU 95 2HG GLU 95 -29.367 -21.529 -12.754 702 2HG GLU 95 1HG GLU 95 -29.341 -22.442 -14.262 703 H GLN 96 H GLN 96 -27.764 -24.026 -12.488 704 HA GLN 96 HA GLN 96 -27.615 -25.296 -15.062 705 1HB GLN 96 2HB GLN 96 -25.720 -23.901 -13.238 706 2HB GLN 96 1HB GLN 96 -25.043 -25.011 -14.422 707 1HG GLN 96 2HG GLN 96 -26.901 -22.752 -15.121 708 2HG GLN 96 1HG GLN 96 -25.142 -22.627 -15.144 709 1HE2 GLN 96 1HE2 GLN 96 -25.353 -22.111 -17.386 710 2HE2 GLN 96 2HE2 GLN 96 -25.570 -23.368 -18.552 711 H LEU 97 H LEU 97 -26.749 -26.197 -11.758 712 HA LEU 97 HA LEU 97 -25.426 -28.577 -12.613 713 1HB LEU 97 2HB LEU 97 -26.074 -29.117 -10.006 714 2HB LEU 97 1HB LEU 97 -24.603 -28.370 -10.566 715 HG LEU 97 HG LEU 97 -25.524 -27.195 -8.662 716 1HD1 LEU 97 1HD1 LEU 97 -24.569 -25.409 -9.534 717 2HD1 LEU 97 2HD1 LEU 97 -26.088 -25.013 -10.332 718 3HD1 LEU 97 3HD1 LEU 97 -24.883 -25.993 -11.166 719 1HD2 LEU 97 1HD2 LEU 97 -27.914 -27.843 -9.428 720 2HD2 LEU 97 2HD2 LEU 97 -27.842 -26.301 -10.272 721 3HD2 LEU 97 3HD2 LEU 97 -27.640 -26.357 -8.523 722 H LYS 98 H LYS 98 -28.596 -27.879 -11.249 723 HA LYS 98 HA LYS 98 -29.550 -30.505 -11.187 724 1HB LYS 98 2HB LYS 98 -30.530 -27.973 -10.569 725 2HB LYS 98 1HB LYS 98 -31.607 -28.550 -11.832 726 1HG LYS 98 2HG LYS 98 -32.291 -30.396 -10.560 727 2HG LYS 98 1HG LYS 98 -30.949 -30.219 -9.430 728 1HD LYS 98 2HD LYS 98 -33.156 -28.192 -9.766 729 2HD LYS 98 1HD LYS 98 -33.159 -29.461 -8.540 730 1HE LYS 98 2HE LYS 98 -31.280 -28.545 -7.445 731 2HE LYS 98 1HE LYS 98 -30.904 -27.486 -8.804 732 1HZ LYS 98 1HZ LYS 98 -33.396 -26.711 -8.151 733 2HZ LYS 98 2HZ LYS 98 -31.984 -25.960 -7.601 734 3HZ LYS 98 3HZ LYS 98 -32.765 -27.105 -6.631 735 H ALA 99 H ALA 99 -29.481 -28.099 -13.790 736 HA ALA 99 HA ALA 99 -30.984 -29.830 -15.553 737 1HB ALA 99 1HB ALA 99 -30.380 -27.971 -17.241 738 2HB ALA 99 2HB ALA 99 -29.836 -27.088 -15.814 739 3HB ALA 99 3HB ALA 99 -31.516 -27.611 -15.942 740 H GLN 100 H GLN 100 -27.714 -29.182 -14.857 741 HA GLN 100 HA GLN 100 -26.758 -30.331 -17.338 742 1HB GLN 100 2HB GLN 100 -25.560 -28.439 -16.292 743 2HB GLN 100 1HB GLN 100 -25.184 -29.460 -14.913 744 1HG GLN 100 2HG GLN 100 -23.846 -30.912 -16.295 745 2HG GLN 100 1HG GLN 100 -24.317 -30.018 -17.740 746 1HE2 GLN 100 1HE2 GLN 100 -21.707 -30.338 -17.301 747 2HE2 GLN 100 2HE2 GLN 100 -20.974 -28.860 -16.786 748 H LEU 101 H LEU 101 -26.818 -31.206 -13.892 749 HA LEU 101 HA LEU 101 -25.381 -33.584 -14.055 750 1HB LEU 101 2HB LEU 101 -27.444 -32.503 -12.220 751 2HB LEU 101 1HB LEU 101 -27.219 -34.238 -12.179 752 HG LEU 101 HG LEU 101 -25.396 -32.062 -11.273 753 1HD1 LEU 101 1HD1 LEU 101 -26.940 -33.650 -9.902 754 2HD1 LEU 101 2HD1 LEU 101 -25.330 -33.232 -9.316 755 3HD1 LEU 101 3HD1 LEU 101 -25.606 -34.786 -10.103 756 1HD2 LEU 101 1HD2 LEU 101 -23.657 -34.068 -11.176 757 2HD2 LEU 101 2HD2 LEU 101 -23.725 -32.950 -12.535 758 3HD2 LEU 101 3HD2 LEU 101 -24.499 -34.527 -12.654 759 H THR 102 H THR 102 -28.851 -33.009 -14.455 760 HA THR 102 HA THR 102 -29.593 -35.674 -14.934 761 HB THR 102 HB THR 102 -31.409 -34.244 -16.397 762 HG1 THR 102 1HG THR 102 -30.729 -32.512 -14.283 763 1HG2 THR 102 1HG2 THR 102 -32.648 -33.977 -14.185 764 2HG2 THR 102 2HG2 THR 102 -31.267 -34.809 -13.468 765 3HG2 THR 102 3HG2 THR 102 -32.228 -35.605 -14.716 766 H GLU 103 H GLU 103 -28.574 -33.075 -17.094 767 HA GLU 103 HA GLU 103 -28.941 -34.613 -19.452 768 1HB GLU 103 2HB GLU 103 -27.929 -31.951 -18.782 769 2HB GLU 103 1HB GLU 103 -27.098 -32.689 -20.144 770 1HG GLU 103 2HG GLU 103 -28.805 -31.556 -21.179 771 2HG GLU 103 1HG GLU 103 -29.487 -33.174 -21.017 772 H ARG 104 H ARG 104 -26.725 -34.851 -17.014 773 HA ARG 104 HA ARG 104 -24.586 -35.864 -18.739 774 1HB ARG 104 2HB ARG 104 -24.323 -34.244 -16.655 775 2HB ARG 104 1HB ARG 104 -24.323 -35.764 -15.770 776 1HG ARG 104 2HG ARG 104 -22.294 -36.381 -16.548 777 2HG ARG 104 1HG ARG 104 -22.536 -35.606 -18.115 778 1HD ARG 104 2HD ARG 104 -22.415 -33.705 -15.911 779 2HD ARG 104 1HD ARG 104 -20.947 -34.671 -16.067 780 HE ARG 104 HE ARG 104 -21.795 -32.581 -17.789 781 1HH1 ARG 104 1HH1 ARG 104 -20.168 -35.669 -17.786 782 2HH1 ARG 104 2HH1 ARG 104 -19.245 -35.324 -19.210 783 1HH2 ARG 104 1HH2 ARG 104 -20.582 -32.127 -19.662 784 2HH2 ARG 104 2HH2 ARG 104 -19.479 -33.313 -20.276 785 H GLY 105 H GLY 105 -27.203 -36.934 -16.840 786 1HA GLY 105 2HA GLY 105 -27.979 -39.142 -16.765 787 2HA GLY 105 1HA GLY 105 -26.388 -39.697 -17.255 788 H ILE 106 H ILE 106 -27.552 -37.731 -14.505 789 HA ILE 106 HA ILE 106 -26.457 -39.781 -12.704 790 HB ILE 106 HB ILE 106 -24.779 -38.060 -12.808 791 1HG1 ILE 106 2HG1 ILE 106 -25.314 -37.065 -10.316 792 2HG1 ILE 106 1HG1 ILE 106 -26.351 -38.486 -10.352 793 1HG2 ILE 106 1HG2 ILE 106 -27.094 -36.302 -12.834 794 2HG2 ILE 106 2HG2 ILE 106 -25.460 -36.039 -13.438 795 3HG2 ILE 106 3HG2 ILE 106 -25.825 -35.763 -11.736 796 1HD1 ILE 106 1HD1 ILE 106 -24.590 -39.935 -10.442 797 2HD1 ILE 106 2HD1 ILE 106 -23.889 -38.627 -9.490 798 3HD1 ILE 106 3HD1 ILE 106 -23.519 -38.763 -11.209 799 H THR 107 H THR 107 -28.569 -40.490 -12.267 800 HA THR 107 HA THR 107 -30.749 -38.897 -11.579 801 HB THR 107 HB THR 107 -31.199 -41.155 -10.122 802 HG1 THR 107 1HG THR 107 -29.313 -42.178 -10.512 803 1HG2 THR 107 1HG2 THR 107 -31.399 -41.045 -13.121 804 2HG2 THR 107 2HG2 THR 107 -32.570 -40.345 -12.002 805 3HG2 THR 107 3HG2 THR 107 -32.310 -42.089 -12.031 806 H PHE 108 H PHE 108 -31.738 -38.519 -9.500 807 HA PHE 108 HA PHE 108 -29.977 -38.664 -7.183 808 1HB PHE 108 2HB PHE 108 -30.775 -36.199 -6.681 809 2HB PHE 108 1HB PHE 108 -29.362 -36.506 -7.680 810 HD1 PHE 108 1HD PHE 108 -32.786 -37.027 -8.923 811 HD2 PHE 108 2HD PHE 108 -29.448 -34.386 -8.786 812 HE1 PHE 108 1HE PHE 108 -33.768 -35.695 -10.741 813 HE2 PHE 108 2HE PHE 108 -30.425 -33.056 -10.605 814 HZ PHE 108 HZ PHE 108 -32.588 -33.706 -11.584 815 H LYS 109 H LYS 109 -32.635 -36.480 -6.937 816 HA LYS 109 HA LYS 109 -34.457 -36.550 -5.574 817 1HB LYS 109 2HB LYS 109 -36.178 -38.040 -6.308 818 2HB LYS 109 1HB LYS 109 -35.257 -37.545 -7.720 819 1HG LYS 109 2HG LYS 109 -34.450 -40.065 -6.385 820 2HG LYS 109 1HG LYS 109 -35.965 -40.061 -7.286 821 1HD LYS 109 2HD LYS 109 -33.759 -38.776 -8.706 822 2HD LYS 109 1HD LYS 109 -33.475 -40.482 -8.357 823 1HE LYS 109 2HE LYS 109 -34.928 -41.125 -9.918 824 2HE LYS 109 1HE LYS 109 -36.170 -40.034 -9.304 825 1HZ LYS 109 1HZ LYS 109 -35.871 -38.949 -11.212 826 2HZ LYS 109 2HZ LYS 109 -34.404 -39.719 -11.548 827 3HZ LYS 109 3HZ LYS 109 -34.434 -38.362 -10.539 828 H GLN 110 H GLN 110 -32.099 -37.727 -4.397 829 HA GLN 110 HA GLN 110 -33.197 -38.821 -2.080 830 1HB GLN 110 2HB GLN 110 -32.387 -41.165 -2.246 831 2HB GLN 110 1HB GLN 110 -33.707 -40.803 -3.350 832 1HG GLN 110 2HG GLN 110 -32.493 -41.494 -5.058 833 2HG GLN 110 1HG GLN 110 -31.261 -40.286 -4.696 834 1HE2 GLN 110 1HE2 GLN 110 -29.775 -40.917 -2.856 835 2HE2 GLN 110 2HE2 GLN 110 -29.214 -42.552 -2.845 836 H SER 111 H SER 111 -30.402 -38.630 -4.206 837 HA SER 111 HA SER 111 -28.666 -38.507 -1.831 838 1HB SER 111 2HB SER 111 -27.896 -40.292 -3.170 839 2HB SER 111 1HB SER 111 -28.129 -39.383 -4.664 840 HG SER 111 HG SER 111 -25.961 -39.353 -4.210 841 H ALA 112 H ALA 112 -29.619 -36.891 -4.788 842 HA ALA 112 HA ALA 112 -27.899 -34.615 -4.048 843 1HB ALA 112 1HB ALA 112 -27.441 -34.199 -6.223 844 2HB ALA 112 2HB ALA 112 -29.032 -34.721 -6.773 845 3HB ALA 112 3HB ALA 112 -27.796 -35.918 -6.387 846 H THR 113 H THR 113 -28.924 -32.931 -3.231 847 HA THR 113 HA THR 113 -31.752 -32.513 -3.943 848 HB THR 113 HB THR 113 -32.130 -31.577 -1.801 849 HG1 THR 113 1HG THR 113 -29.345 -31.694 -1.295 850 1HG2 THR 113 1HG2 THR 113 -30.380 -33.430 -0.532 851 2HG2 THR 113 2HG2 THR 113 -31.056 -34.163 -1.986 852 3HG2 THR 113 3HG2 THR 113 -32.129 -33.512 -0.746 853 H LYS 114 H LYS 114 -28.847 -30.695 -2.932 854 HA LYS 114 HA LYS 114 -29.061 -28.903 -5.114 855 1HB LYS 114 2HB LYS 114 -30.832 -28.230 -3.217 856 2HB LYS 114 1HB LYS 114 -29.420 -27.394 -2.587 857 1HG LYS 114 2HG LYS 114 -29.844 -26.968 -5.441 858 2HG LYS 114 1HG LYS 114 -31.174 -26.401 -4.431 859 1HD LYS 114 2HD LYS 114 -28.275 -25.701 -3.977 860 2HD LYS 114 1HD LYS 114 -29.417 -24.684 -4.860 861 1HE LYS 114 2HE LYS 114 -29.697 -23.743 -2.823 862 2HE LYS 114 1HE LYS 114 -30.823 -25.083 -2.613 863 1HZ LYS 114 1HZ LYS 114 -29.505 -26.059 -1.107 864 2HZ LYS 114 2HZ LYS 114 -28.808 -24.526 -0.941 865 3HZ LYS 114 3HZ LYS 114 -28.076 -25.684 -1.934 866 H ALA 115 H ALA 115 -27.746 -29.463 -1.892 867 HA ALA 115 HA ALA 115 -25.406 -27.872 -2.480 868 1HB ALA 115 1HB ALA 115 -24.685 -28.366 -0.265 869 2HB ALA 115 2HB ALA 115 -25.813 -29.716 -0.134 870 3HB ALA 115 3HB ALA 115 -26.421 -28.061 -0.188 871 H GLU 116 H GLU 116 -26.427 -31.134 -2.806 872 HA GLU 116 HA GLU 116 -23.735 -32.191 -2.983 873 1HB GLU 116 2HB GLU 116 -26.277 -33.632 -3.709 874 2HB GLU 116 1HB GLU 116 -24.734 -34.329 -3.239 875 1HG GLU 116 2HG GLU 116 -25.526 -32.683 -1.111 876 2HG GLU 116 1HG GLU 116 -26.961 -33.578 -1.607 877 H LEU 117 H LEU 117 -26.386 -31.363 -5.173 878 HA LEU 117 HA LEU 117 -24.928 -32.375 -7.444 879 1HB LEU 117 2HB LEU 117 -26.798 -32.017 -8.720 880 2HB LEU 117 1HB LEU 117 -27.479 -32.340 -7.160 881 HG LEU 117 HG LEU 117 -27.630 -29.932 -8.846 882 1HD1 LEU 117 1HD1 LEU 117 -29.851 -29.850 -7.824 883 2HD1 LEU 117 2HD1 LEU 117 -29.410 -31.189 -6.765 884 3HD1 LEU 117 3HD1 LEU 117 -29.500 -31.435 -8.505 885 1HD2 LEU 117 1HD2 LEU 117 -28.275 -28.692 -6.632 886 2HD2 LEU 117 2HD2 LEU 117 -26.623 -28.673 -7.235 887 3HD2 LEU 117 3HD2 LEU 117 -27.073 -29.771 -5.929 888 H ILE 118 H ILE 118 -25.076 -29.416 -5.751 889 HA ILE 118 HA ILE 118 -24.034 -27.900 -7.988 890 HB ILE 118 HB ILE 118 -25.550 -27.051 -5.992 891 1HG1 ILE 118 2HG1 ILE 118 -25.102 -25.572 -7.744 892 2HG1 ILE 118 1HG1 ILE 118 -24.507 -24.732 -6.320 893 1HG2 ILE 118 1HG2 ILE 118 -24.149 -25.734 -4.366 894 2HG2 ILE 118 2HG2 ILE 118 -22.778 -26.716 -4.872 895 3HG2 ILE 118 3HG2 ILE 118 -24.180 -27.477 -4.117 896 1HD1 ILE 118 1HD1 ILE 118 -22.917 -24.423 -8.039 897 2HD1 ILE 118 2HD1 ILE 118 -22.900 -26.144 -8.427 898 3HD1 ILE 118 3HD1 ILE 118 -22.222 -25.577 -6.901 899 H ALA 119 H ALA 119 -22.885 -29.672 -5.227 900 HA ALA 119 HA ALA 119 -20.188 -28.613 -5.421 901 1HB ALA 119 1HB ALA 119 -20.537 -29.043 -3.223 902 2HB ALA 119 2HB ALA 119 -19.912 -30.624 -3.692 903 3HB ALA 119 3HB ALA 119 -21.651 -30.373 -3.545 904 H LEU 120 H LEU 120 -21.991 -31.484 -6.311 905 HA LEU 120 HA LEU 120 -19.923 -33.248 -6.850 906 1HB LEU 120 2HB LEU 120 -22.726 -33.026 -7.488 907 2HB LEU 120 1HB LEU 120 -21.841 -33.687 -8.848 908 HG LEU 120 HG LEU 120 -20.888 -35.414 -7.308 909 1HD1 LEU 120 1HD1 LEU 120 -21.596 -35.672 -5.126 910 2HD1 LEU 120 2HD1 LEU 120 -23.041 -34.691 -5.367 911 3HD1 LEU 120 3HD1 LEU 120 -21.458 -33.920 -5.265 912 1HD2 LEU 120 1HD2 LEU 120 -23.232 -36.537 -6.977 913 2HD2 LEU 120 2HD2 LEU 120 -22.582 -36.275 -8.596 914 3HD2 LEU 120 3HD2 LEU 120 -23.791 -35.169 -7.941 915 H PHE 121 H PHE 121 -21.142 -30.581 -8.779 916 HA PHE 121 HA PHE 121 -19.765 -31.299 -11.162 917 1HB PHE 121 2HB PHE 121 -21.247 -28.925 -10.186 918 2HB PHE 121 1HB PHE 121 -20.106 -28.665 -11.504 919 HD1 PHE 121 1HD PHE 121 -20.319 -30.209 -13.548 920 HD2 PHE 121 2HD PHE 121 -23.361 -29.728 -10.622 921 HE1 PHE 121 1HE PHE 121 -21.987 -31.049 -15.148 922 HE2 PHE 121 2HE PHE 121 -25.033 -30.550 -12.209 923 HZ PHE 121 HZ PHE 121 -24.350 -31.224 -14.477 924 H ALA 122 H ALA 122 -18.839 -29.513 -8.301 925 HA ALA 122 HA ALA 122 -16.715 -28.015 -9.219 926 1HB ALA 122 1HB ALA 122 -16.606 -27.536 -7.060 927 2HB ALA 122 2HB ALA 122 -15.911 -29.123 -6.738 928 3HB ALA 122 3HB ALA 122 -17.659 -28.899 -6.689 929 HA PRO 123 HA PRO 123 -13.708 -31.865 -8.340 930 1HB PRO 123 2HB PRO 123 -15.785 -33.926 -8.936 931 2HB PRO 123 1HB PRO 123 -14.400 -34.010 -7.841 932 1HG PRO 123 2HG PRO 123 -16.867 -33.645 -6.899 933 2HG PRO 123 1HG PRO 123 -15.476 -32.819 -6.174 934 1HD PRO 123 2HD PRO 123 -17.621 -31.733 -7.921 935 2HD PRO 123 1HD PRO 123 -16.694 -30.938 -6.636 936 H ALA 124 H ALA 124 -12.934 -33.539 -9.994 937 HA ALA 124 HA ALA 124 -13.987 -32.920 -12.673 938 1HB ALA 124 1HB ALA 124 -11.950 -31.603 -12.240 939 2HB ALA 124 2HB ALA 124 -11.737 -32.762 -13.552 940 3HB ALA 124 3HB ALA 124 -11.063 -33.101 -11.958 941 H ASP 125 H ASP 125 -11.539 -35.017 -11.135 942 HA ASP 125 HA ASP 125 -11.704 -37.107 -12.967 943 1HB ASP 125 2HB ASP 125 -9.987 -36.719 -11.094 944 2HB ASP 125 1HB ASP 125 -11.134 -37.540 -10.041 945 H GLY 126 H GLY 126 -12.775 -39.109 -12.945 946 1HA GLY 126 2HA GLY 126 -14.844 -39.603 -10.975 947 2HA GLY 126 1HA GLY 126 -15.438 -39.215 -12.582 948 H GLU 127 H GLU 127 -12.885 -41.279 -11.186 949 HA GLU 127 HA GLU 127 -13.600 -43.355 -13.127 950 1HB GLU 127 2HB GLU 127 -11.143 -42.398 -12.247 951 2HB GLU 127 1HB GLU 127 -11.314 -43.941 -11.421 952 1HG GLU 127 2HG GLU 127 -12.070 -44.589 -13.953 953 2HG GLU 127 1HG GLU 127 -10.846 -43.354 -14.246 954 H LYS 128 H LYS 128 -14.972 -44.866 -12.482 955 HA LYS 128 HA LYS 128 -14.708 -45.966 -9.780 956 1HB LYS 128 2HB LYS 128 -17.198 -46.018 -9.569 957 2HB LYS 128 1HB LYS 128 -16.510 -44.400 -9.544 958 1HG LYS 128 2HG LYS 128 -17.636 -43.777 -11.360 959 2HG LYS 128 1HG LYS 128 -17.240 -45.265 -12.222 960 1HD LYS 128 2HD LYS 128 -19.166 -46.286 -11.613 961 2HD LYS 128 1HD LYS 128 -19.186 -45.529 -10.019 962 1HE LYS 128 2HE LYS 128 -21.047 -44.680 -11.252 963 2HE LYS 128 1HE LYS 128 -19.849 -43.391 -11.127 964 1HZ LYS 128 1HZ LYS 128 -20.736 -44.884 -13.473 965 2HZ LYS 128 2HZ LYS 128 -19.105 -44.439 -13.419 966 3HZ LYS 128 3HZ LYS 128 -20.307 -43.254 -13.325 967 H SER 129 H SER 129 -13.802 -47.023 -12.242 968 HA SER 129 HA SER 129 -15.627 -49.308 -12.602 969 1HB SER 129 2HB SER 129 -14.853 -47.620 -14.568 970 2HB SER 129 1HB SER 129 -13.553 -48.808 -14.658 971 HG SER 129 HG SER 129 -16.310 -49.471 -14.673 972 H GLU 130 H GLU 130 -14.860 -50.811 -11.222 973 HA GLU 130 HA GLU 130 -12.067 -51.190 -10.726 974 1HB GLU 130 2HB GLU 130 -14.000 -51.678 -9.127 975 2HB GLU 130 1HB GLU 130 -14.261 -53.145 -10.059 976 1HG GLU 130 2HG GLU 130 -11.912 -53.798 -9.570 977 2HG GLU 130 1HG GLU 130 -11.794 -52.395 -8.510 978 H ALA 131 H ALA 131 -14.490 -53.461 -12.038 979 HA ALA 131 HA ALA 131 -12.515 -54.346 -14.015 980 1HB ALA 131 1HB ALA 131 -12.362 -55.849 -12.050 981 2HB ALA 131 2HB ALA 131 -12.873 -56.676 -13.522 982 3HB ALA 131 3HB ALA 131 -14.059 -56.271 -12.281 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 23.579 2.068 21.711 2 2H GLY 1 2HT GLY 1 23.870 2.892 23.158 3 3H GLY 1 3HT GLY 1 22.424 2.042 22.946 4 1HA GLY 1 1HA GLY 1 24.511 1.062 24.267 5 2HA GLY 1 2HA GLY 1 23.318 0.065 23.451 6 H SER 2 H SER 2 25.065 -1.512 23.337 7 HA SER 2 HA SER 2 27.434 -1.058 21.878 8 1HB SER 2 2HB SER 2 26.525 -3.096 23.422 9 2HB SER 2 1HB SER 2 26.318 -3.797 21.817 10 HG SER 2 HG SER 2 28.722 -2.625 22.768 11 H HIS 3 H HIS 3 24.195 -1.953 20.920 12 HA HIS 3 HA HIS 3 24.873 -1.448 18.148 13 1HB HIS 3 2HB HIS 3 23.984 -3.559 17.315 14 2HB HIS 3 1HB HIS 3 25.328 -3.861 18.411 15 HD1 HIS 3 1HD HIS 3 24.063 -3.939 21.105 16 HD2 HIS 3 2HD HIS 3 22.215 -5.547 17.750 17 HE1 HIS 3 1HE HIS 3 22.423 -5.627 21.987 18 HE2 HIS 3 2HE HIS 3 21.376 -6.647 19.935 19 H MET 4 H MET 4 23.427 0.275 19.381 20 HA MET 4 HA MET 4 20.615 -0.386 19.416 21 1HB MET 4 2HB MET 4 21.827 1.248 20.985 22 2HB MET 4 1HB MET 4 21.774 2.382 19.643 23 1HG MET 4 2HG MET 4 19.278 2.021 19.601 24 2HG MET 4 1HG MET 4 19.468 1.172 21.134 25 1HE MET 4 1HE MET 4 18.522 5.347 20.616 26 2HE MET 4 2HE MET 4 18.430 3.979 19.507 27 3HE MET 4 3HE MET 4 19.861 5.010 19.519 28 H ASP 5 H ASP 5 19.541 -0.557 17.572 29 HA ASP 5 HA ASP 5 19.873 1.544 15.551 30 1HB ASP 5 2HB ASP 5 20.837 -1.027 15.191 31 2HB ASP 5 1HB ASP 5 19.271 -1.071 14.388 32 H LYS 6 H LYS 6 17.994 2.173 14.528 33 HA LYS 6 HA LYS 6 15.555 0.655 15.048 34 1HB LYS 6 2HB LYS 6 16.065 2.567 16.791 35 2HB LYS 6 1HB LYS 6 15.444 3.602 15.513 36 1HG LYS 6 2HG LYS 6 13.521 3.203 16.657 37 2HG LYS 6 1HG LYS 6 13.473 1.853 15.522 38 1HD LYS 6 2HD LYS 6 14.947 0.828 17.594 39 2HD LYS 6 1HD LYS 6 13.782 1.856 18.431 40 1HE LYS 6 2HE LYS 6 12.331 0.178 18.244 41 2HE LYS 6 1HE LYS 6 12.271 0.533 16.518 42 1HZ LYS 6 1HZ LYS 6 13.573 -1.651 17.917 43 2HZ LYS 6 2HZ LYS 6 14.457 -0.979 16.641 44 3HZ LYS 6 3HZ LYS 6 12.909 -1.602 16.360 45 H THR 7 H THR 7 17.286 1.458 12.687 46 HA THR 7 HA THR 7 15.099 2.615 11.083 47 HB THR 7 HB THR 7 16.969 4.205 11.468 48 HG1 THR 7 1HG THR 7 16.325 4.913 9.631 49 1HG2 THR 7 1HG2 THR 7 19.103 3.740 11.105 50 2HG2 THR 7 2HG2 THR 7 18.752 3.038 9.526 51 3HG2 THR 7 3HG2 THR 7 18.615 2.048 10.980 52 H PHE 8 H PHE 8 14.502 1.451 9.393 53 HA PHE 8 HA PHE 8 16.363 -0.413 8.135 54 1HB PHE 8 2HB PHE 8 14.187 -2.037 8.267 55 2HB PHE 8 1HB PHE 8 15.549 -2.110 9.383 56 HD1 PHE 8 1HD PHE 8 15.396 -1.014 11.586 57 HD2 PHE 8 2HD PHE 8 12.044 -1.319 8.965 58 HE1 PHE 8 1HE PHE 8 13.885 -0.555 13.475 59 HE2 PHE 8 2HE PHE 8 10.533 -0.863 10.862 60 HZ PHE 8 HZ PHE 8 11.449 -0.478 13.111 61 H CYS 9 H CYS 9 15.848 -0.995 6.028 62 HA CYS 9 HA CYS 9 13.849 0.704 4.743 63 1HB CYS 9 2HB CYS 9 15.420 -1.228 3.119 64 2HB CYS 9 1HB CYS 9 15.031 0.456 2.794 65 HG CYS 9 HG CYS 9 17.664 -0.182 3.389 66 H VAL 10 H VAL 10 11.861 -0.076 4.257 67 HA VAL 10 HA VAL 10 11.467 -2.986 4.428 68 HB VAL 10 HB VAL 10 10.171 -0.952 5.794 69 1HG1 VAL 10 1HG1 VAL 10 8.011 -0.674 5.073 70 2HG1 VAL 10 2HG1 VAL 10 8.026 -2.148 4.107 71 3HG1 VAL 10 3HG1 VAL 10 8.869 -0.711 3.536 72 1HG2 VAL 10 1HG2 VAL 10 9.382 -2.667 7.000 73 2HG2 VAL 10 2HG2 VAL 10 10.427 -3.627 5.959 74 3HG2 VAL 10 3HG2 VAL 10 8.710 -3.483 5.589 75 H VAL 11 H VAL 11 9.987 -4.015 3.026 76 HA VAL 11 HA VAL 11 9.250 -2.525 0.630 77 HB VAL 11 HB VAL 11 11.324 -3.496 0.028 78 1HG1 VAL 11 1HG1 VAL 11 10.229 -6.035 1.187 79 2HG1 VAL 11 2HG1 VAL 11 11.665 -5.133 1.673 80 3HG1 VAL 11 3HG1 VAL 11 11.642 -5.990 0.132 81 1HG2 VAL 11 1HG2 VAL 11 10.551 -4.066 -1.980 82 2HG2 VAL 11 2HG2 VAL 11 8.928 -4.107 -1.290 83 3HG2 VAL 11 3HG2 VAL 11 9.898 -5.579 -1.350 84 H VAL 12 H VAL 12 7.205 -2.852 0.129 85 HA VAL 12 HA VAL 12 5.752 -5.051 1.380 86 HB VAL 12 HB VAL 12 3.727 -3.878 0.629 87 1HG1 VAL 12 1HG1 VAL 12 3.803 -2.210 2.239 88 2HG1 VAL 12 2HG1 VAL 12 5.484 -1.810 1.886 89 3HG1 VAL 12 3HG1 VAL 12 5.094 -3.298 2.748 90 1HG2 VAL 12 1HG2 VAL 12 5.649 -2.447 -1.021 91 2HG2 VAL 12 2HG2 VAL 12 4.569 -1.366 -0.141 92 3HG2 VAL 12 3HG2 VAL 12 3.902 -2.608 -1.200 93 H GLN 13 H GLN 13 5.739 -6.910 0.273 94 HA GLN 13 HA GLN 13 5.716 -6.875 -2.641 95 1HB GLN 13 2HB GLN 13 6.363 -8.853 -0.548 96 2HB GLN 13 1HB GLN 13 5.573 -9.511 -1.976 97 1HG GLN 13 2HG GLN 13 7.308 -8.837 -3.389 98 2HG GLN 13 1HG GLN 13 7.965 -7.721 -2.194 99 1HE2 GLN 13 1HE2 GLN 13 9.827 -8.396 -1.443 100 2HE2 GLN 13 2HE2 GLN 13 10.262 -10.032 -1.099 101 H ASN 14 H ASN 14 3.779 -6.493 -3.506 102 HA ASN 14 HA ASN 14 1.392 -7.624 -2.250 103 1HB ASN 14 2HB ASN 14 0.955 -6.014 -4.654 104 2HB ASN 14 1HB ASN 14 0.247 -5.856 -3.052 105 1HD2 ASN 14 1HD2 ASN 14 2.207 -4.435 -5.296 106 2HD2 ASN 14 2HD2 ASN 14 3.030 -3.309 -4.281 107 H ARG 15 H ARG 15 -0.061 -8.932 -3.327 108 HA ARG 15 HA ARG 15 0.719 -9.942 -5.965 109 1HB ARG 15 2HB ARG 15 -0.077 -11.784 -3.709 110 2HB ARG 15 1HB ARG 15 0.502 -12.236 -5.307 111 1HG ARG 15 2HG ARG 15 2.484 -12.471 -4.315 112 2HG ARG 15 1HG ARG 15 2.562 -10.708 -4.372 113 1HD ARG 15 2HD ARG 15 1.762 -10.521 -2.139 114 2HD ARG 15 1HD ARG 15 1.344 -12.233 -2.079 115 HE ARG 15 HE ARG 15 4.133 -11.774 -2.557 116 1HH1 ARG 15 1HH1 ARG 15 1.677 -12.018 -0.089 117 2HH1 ARG 15 2HH1 ARG 15 2.796 -12.457 1.157 118 1HH2 ARG 15 1HH2 ARG 15 5.606 -12.352 -0.919 119 2HH2 ARG 15 2HH2 ARG 15 5.026 -12.646 0.687 120 H ILE 16 H ILE 16 -1.378 -8.144 -5.032 121 HA ILE 16 HA ILE 16 -3.814 -9.727 -5.341 122 HB ILE 16 HB ILE 16 -3.596 -6.761 -4.836 123 1HG1 ILE 16 2HG1 ILE 16 -4.433 -7.937 -2.480 124 2HG1 ILE 16 1HG1 ILE 16 -3.191 -9.047 -3.052 125 1HG2 ILE 16 1HG2 ILE 16 -5.920 -8.336 -3.934 126 2HG2 ILE 16 2HG2 ILE 16 -5.748 -8.131 -5.676 127 3HG2 ILE 16 3HG2 ILE 16 -5.843 -6.716 -4.627 128 1HD1 ILE 16 1HD1 ILE 16 -2.385 -7.260 -1.518 129 2HD1 ILE 16 2HD1 ILE 16 -2.776 -6.085 -2.774 130 3HD1 ILE 16 3HD1 ILE 16 -1.556 -7.323 -3.073 131 H LYS 17 H LYS 17 -2.354 -6.792 -6.764 132 HA LYS 17 HA LYS 17 -2.894 -7.557 -9.417 133 1HB LYS 17 2HB LYS 17 -4.698 -5.981 -9.964 134 2HB LYS 17 1HB LYS 17 -5.225 -7.179 -8.789 135 1HG LYS 17 2HG LYS 17 -4.912 -5.550 -6.993 136 2HG LYS 17 1HG LYS 17 -4.403 -4.350 -8.182 137 1HD LYS 17 2HD LYS 17 -6.641 -4.713 -9.310 138 2HD LYS 17 1HD LYS 17 -7.112 -5.625 -7.874 139 1HE LYS 17 2HE LYS 17 -7.384 -3.771 -6.645 140 2HE LYS 17 1HE LYS 17 -5.926 -3.016 -7.287 141 1HZ LYS 17 1HZ LYS 17 -8.667 -2.960 -8.372 142 2HZ LYS 17 2HZ LYS 17 -7.341 -2.689 -9.387 143 3HZ LYS 17 3HZ LYS 17 -7.616 -1.669 -8.065 144 H GLU 18 H GLU 18 -3.005 -5.297 -10.820 145 HA GLU 18 HA GLU 18 -0.757 -3.698 -9.791 146 1HB GLU 18 2HB GLU 18 -0.166 -3.252 -12.120 147 2HB GLU 18 1HB GLU 18 -0.213 -4.982 -11.810 148 1HG GLU 18 2HG GLU 18 -1.903 -5.325 -13.242 149 2HG GLU 18 1HG GLU 18 -2.730 -3.836 -12.785 150 H GLY 19 H GLY 19 -3.215 -2.983 -8.887 151 1HA GLY 19 2HA GLY 19 -3.434 -0.302 -9.862 152 2HA GLY 19 1HA GLY 19 -4.806 -1.287 -10.347 153 H TYR 20 H TYR 20 -3.121 -1.776 -7.314 154 HA TYR 20 HA TYR 20 -5.573 -1.041 -5.915 155 1HB TYR 20 2HB TYR 20 -4.042 -3.247 -5.617 156 2HB TYR 20 1HB TYR 20 -3.300 -2.206 -4.407 157 HD1 TYR 20 1HD TYR 20 -6.891 -2.338 -5.363 158 HD2 TYR 20 2HD TYR 20 -3.964 -3.237 -2.408 159 HE1 TYR 20 1HE TYR 20 -8.678 -2.914 -3.779 160 HE2 TYR 20 2HE TYR 20 -5.744 -3.818 -0.816 161 HH TYR 20 HH TYR 20 -8.710 -4.564 -1.564 162 H ARG 21 H ARG 21 -2.187 -0.230 -6.144 163 HA ARG 21 HA ARG 21 -1.018 1.580 -5.411 164 1HB ARG 21 2HB ARG 21 -3.743 2.838 -5.173 165 2HB ARG 21 1HB ARG 21 -2.209 3.675 -5.410 166 1HG ARG 21 2HG ARG 21 -2.124 3.167 -7.623 167 2HG ARG 21 1HG ARG 21 -2.998 1.648 -7.416 168 1HD ARG 21 2HD ARG 21 -4.879 2.626 -8.045 169 2HD ARG 21 1HD ARG 21 -4.743 3.776 -6.715 170 HE ARG 21 HE ARG 21 -3.096 4.841 -8.545 171 1HH1 ARG 21 1HH1 ARG 21 -6.373 3.658 -8.785 172 2HH1 ARG 21 2HH1 ARG 21 -6.802 4.745 -10.062 173 1HH2 ARG 21 1HH2 ARG 21 -3.661 6.268 -10.223 174 2HH2 ARG 21 2HH2 ARG 21 -5.264 6.226 -10.879 175 H ARG 22 H ARG 22 -1.176 3.460 -3.640 176 HA ARG 22 HA ARG 22 -2.463 2.878 -1.221 177 1HB ARG 22 2HB ARG 22 -0.122 1.336 -1.689 178 2HB ARG 22 1HB ARG 22 0.258 2.500 -0.428 179 1HG ARG 22 2HG ARG 22 -2.317 1.266 0.016 180 2HG ARG 22 1HG ARG 22 -1.033 0.064 -0.124 181 1HD ARG 22 2HD ARG 22 -0.316 0.542 1.922 182 2HD ARG 22 1HD ARG 22 -0.112 2.238 1.487 183 HE ARG 22 HE ARG 22 -2.832 1.528 2.066 184 1HH1 ARG 22 1HH1 ARG 22 0.213 2.520 3.454 185 2HH1 ARG 22 2HH1 ARG 22 -0.512 3.203 4.870 186 1HH2 ARG 22 1HH2 ARG 22 -3.787 2.428 3.928 187 2HH2 ARG 22 2HH2 ARG 22 -2.782 3.151 5.139 188 H ALA 23 H ALA 23 -0.655 3.941 0.616 189 HA ALA 23 HA ALA 23 -0.729 6.722 -0.159 190 1HB ALA 23 1HB ALA 23 0.519 5.899 2.401 191 2HB ALA 23 2HB ALA 23 -1.197 5.558 2.184 192 3HB ALA 23 3HB ALA 23 -0.604 7.214 2.056 193 H GLY 24 H GLY 24 0.887 6.327 -1.921 194 1HA GLY 24 2HA GLY 24 2.981 6.776 -2.753 195 2HA GLY 24 1HA GLY 24 3.409 7.360 -1.153 196 H PHE 25 H PHE 25 2.235 4.171 -1.140 197 HA PHE 25 HA PHE 25 4.985 3.165 -0.883 198 1HB PHE 25 2HB PHE 25 2.391 2.145 0.285 199 2HB PHE 25 1HB PHE 25 3.925 1.289 0.405 200 HD1 PHE 25 1HD PHE 25 5.907 2.740 1.375 201 HD2 PHE 25 2HD PHE 25 1.773 3.525 2.010 202 HE1 PHE 25 1HE PHE 25 6.466 4.023 3.399 203 HE2 PHE 25 2HE PHE 25 2.325 4.810 4.034 204 HZ PHE 25 HZ PHE 25 4.674 5.061 4.731 205 H SER 26 H SER 26 1.767 2.089 -1.958 206 HA SER 26 HA SER 26 3.105 0.403 -3.968 207 1HB SER 26 2HB SER 26 1.667 -0.698 -2.121 208 2HB SER 26 1HB SER 26 0.288 -0.051 -3.009 209 HG SER 26 HG SER 26 2.248 -1.506 -4.392 210 H PHE 27 H PHE 27 2.259 0.334 -6.062 211 HA PHE 27 HA PHE 27 -0.002 1.896 -6.847 212 1HB PHE 27 2HB PHE 27 2.333 3.345 -6.557 213 2HB PHE 27 1HB PHE 27 2.306 2.971 -8.278 214 HD1 PHE 27 2HD PHE 27 -0.265 3.937 -5.732 215 HD2 PHE 27 1HD PHE 27 1.488 4.686 -9.541 216 HE1 PHE 27 2HE PHE 27 -1.863 5.768 -6.107 217 HE2 PHE 27 1HE PHE 27 -0.109 6.519 -9.918 218 HZ PHE 27 HZ PHE 27 -1.787 7.061 -8.200 219 H HIS 28 H HIS 28 1.048 -0.800 -7.114 220 HA HIS 28 HA HIS 28 0.260 -1.442 -9.680 221 1HB HIS 28 2HB HIS 28 2.765 -0.251 -9.812 222 2HB HIS 28 1HB HIS 28 3.127 -1.973 -9.847 223 HD1 HIS 28 1HD HIS 28 3.351 -2.751 -12.170 224 HD2 HIS 28 2HD HIS 28 0.434 0.186 -11.816 225 HE1 HIS 28 1HE HIS 28 2.418 -2.447 -14.485 226 HE2 HIS 28 2HE HIS 28 0.716 -0.604 -14.263 227 H LEU 29 H LEU 29 1.625 -3.683 -10.319 228 HA LEU 29 HA LEU 29 1.197 -5.345 -7.949 229 1HB LEU 29 2HB LEU 29 0.022 -5.891 -10.082 230 2HB LEU 29 1HB LEU 29 1.583 -6.212 -10.814 231 HG LEU 29 HG LEU 29 0.260 -8.229 -10.031 232 1HD1 LEU 29 1HD1 LEU 29 2.809 -8.007 -10.425 233 2HD1 LEU 29 2HD1 LEU 29 2.183 -9.429 -9.591 234 3HD1 LEU 29 3HD1 LEU 29 2.915 -8.117 -8.668 235 1HD2 LEU 29 1HD2 LEU 29 -0.188 -8.616 -7.855 236 2HD2 LEU 29 2HD2 LEU 29 -0.101 -6.860 -7.740 237 3HD2 LEU 29 3HD2 LEU 29 1.296 -7.841 -7.299 238 H GLY 30 H GLY 30 2.966 -5.513 -6.754 239 1HA GLY 30 2HA GLY 30 5.129 -7.057 -7.295 240 2HA GLY 30 1HA GLY 30 5.611 -5.483 -7.908 241 H ASP 31 H ASP 31 7.137 -4.900 -6.462 242 HA ASP 31 HA ASP 31 6.208 -4.370 -3.745 243 1HB ASP 31 2HB ASP 31 8.174 -5.357 -2.721 244 2HB ASP 31 1HB ASP 31 7.337 -6.570 -3.678 245 H ASN 32 H ASN 32 7.150 -2.631 -2.753 246 HA ASN 32 HA ASN 32 9.127 -1.124 -4.342 247 1HB ASN 32 2HB ASN 32 6.614 -0.206 -2.990 248 2HB ASN 32 1HB ASN 32 7.971 0.907 -3.136 249 1HD2 ASN 32 1HD2 ASN 32 6.172 -1.412 -5.133 250 2HD2 ASN 32 2HD2 ASN 32 6.103 -0.407 -6.537 251 H SER 33 H SER 33 10.755 -0.046 -3.187 252 HA SER 33 HA SER 33 11.246 -1.159 -0.558 253 1HB SER 33 2HB SER 33 13.403 0.348 -0.897 254 2HB SER 33 1HB SER 33 13.235 -1.221 -1.686 255 HG SER 33 HG SER 33 12.740 -0.226 -3.581 256 H LEU 34 H LEU 34 11.561 -0.054 1.294 257 HA LEU 34 HA LEU 34 10.574 2.723 1.359 258 1HB LEU 34 2HB LEU 34 9.015 1.334 2.512 259 2HB LEU 34 1HB LEU 34 10.286 0.437 3.312 260 HG LEU 34 HG LEU 34 8.890 2.102 4.664 261 1HD1 LEU 34 1HD1 LEU 34 10.917 2.598 6.033 262 2HD1 LEU 34 2HD1 LEU 34 11.887 1.923 4.722 263 3HD1 LEU 34 3HD1 LEU 34 10.729 0.909 5.567 264 1HD2 LEU 34 1HD2 LEU 34 10.846 4.190 4.248 265 2HD2 LEU 34 2HD2 LEU 34 9.087 4.291 4.312 266 3HD2 LEU 34 3HD2 LEU 34 9.891 3.902 2.793 267 H ALA 35 H ALA 35 11.810 4.247 2.449 268 HA ALA 35 HA ALA 35 14.554 3.656 2.862 269 1HB ALA 35 1HB ALA 35 14.564 6.033 3.792 270 2HB ALA 35 2HB ALA 35 12.872 6.094 3.301 271 3HB ALA 35 3HB ALA 35 14.130 5.816 2.098 272 H ALA 36 H ALA 36 15.717 3.921 4.832 273 HA ALA 36 HA ALA 36 14.488 2.549 6.988 274 1HB ALA 36 1HB ALA 36 17.082 3.981 7.305 275 2HB ALA 36 2HB ALA 36 16.969 2.600 6.214 276 3HB ALA 36 3HB ALA 36 16.584 2.405 7.923 277 H VAL 37 H VAL 37 13.130 3.371 8.375 278 HA VAL 37 HA VAL 37 13.596 6.086 9.404 279 HB VAL 37 HB VAL 37 11.418 6.735 9.173 280 1HG1 VAL 37 1HG1 VAL 37 10.881 6.475 6.999 281 2HG1 VAL 37 2HG1 VAL 37 10.948 4.714 7.081 282 3HG1 VAL 37 3HG1 VAL 37 12.437 5.649 6.937 283 1HG2 VAL 37 1HG2 VAL 37 10.141 5.337 10.457 284 2HG2 VAL 37 2HG2 VAL 37 10.759 3.878 9.685 285 3HG2 VAL 37 3HG2 VAL 37 9.567 4.878 8.854 286 H SER 38 H SER 38 11.758 6.234 11.386 287 HA SER 38 HA SER 38 12.845 4.347 13.309 288 1HB SER 38 2HB SER 38 11.503 6.997 13.457 289 2HB SER 38 1HB SER 38 11.332 5.924 14.846 290 HG SER 38 HG SER 38 13.566 7.241 13.880 291 H GLU 39 H GLU 39 11.357 2.776 11.874 292 HA GLU 39 HA GLU 39 9.792 1.134 12.160 293 1HB GLU 39 2HB GLU 39 10.065 1.742 14.641 294 2HB GLU 39 1HB GLU 39 8.566 2.641 14.449 295 1HG GLU 39 2HG GLU 39 7.850 0.273 13.380 296 2HG GLU 39 1HG GLU 39 9.036 -0.256 14.574 297 H SER 40 H SER 40 8.977 4.431 11.765 298 HA SER 40 HA SER 40 6.234 4.426 11.521 299 1HB SER 40 2HB SER 40 8.155 6.281 11.134 300 2HB SER 40 1HB SER 40 7.690 5.971 9.460 301 HG SER 40 HG SER 40 6.471 7.646 10.611 302 H GLN 41 H GLN 41 8.523 2.875 9.456 303 HA GLN 41 HA GLN 41 6.802 2.763 7.151 304 1HB GLN 41 2HB GLN 41 8.545 0.970 6.460 305 2HB GLN 41 1HB GLN 41 8.973 2.670 6.494 306 1HG GLN 41 2HG GLN 41 10.716 1.192 7.426 307 2HG GLN 41 1HG GLN 41 10.144 2.406 8.564 308 1HE2 GLN 41 1HE2 GLN 41 10.122 -0.973 7.717 309 2HE2 GLN 41 2HE2 GLN 41 9.588 -1.558 9.251 310 H LEU 42 H LEU 42 7.390 0.750 9.919 311 HA LEU 42 HA LEU 42 6.097 -1.553 8.747 312 1HB LEU 42 2HB LEU 42 7.921 -1.861 10.334 313 2HB LEU 42 1HB LEU 42 7.022 -1.000 11.567 314 HG LEU 42 HG LEU 42 5.261 -2.966 10.978 315 1HD1 LEU 42 1HD1 LEU 42 7.937 -3.880 10.123 316 2HD1 LEU 42 2HD1 LEU 42 6.335 -4.394 9.593 317 3HD1 LEU 42 3HD1 LEU 42 6.998 -5.001 11.111 318 1HD2 LEU 42 1HD2 LEU 42 7.485 -3.520 12.901 319 2HD2 LEU 42 2HD2 LEU 42 5.756 -3.819 13.073 320 3HD2 LEU 42 3HD2 LEU 42 6.380 -2.173 13.174 321 H ALA 43 H ALA 43 5.278 1.093 10.853 322 HA ALA 43 HA ALA 43 2.705 -0.041 11.544 323 1HB ALA 43 1HB ALA 43 2.406 2.183 12.700 324 2HB ALA 43 2HB ALA 43 4.066 2.547 12.226 325 3HB ALA 43 3HB ALA 43 3.731 1.174 13.281 326 H GLN 44 H GLN 44 4.049 2.253 9.265 327 HA GLN 44 HA GLN 44 1.599 3.527 8.583 328 1HB GLN 44 2HB GLN 44 4.308 3.327 7.337 329 2HB GLN 44 1HB GLN 44 2.974 3.915 6.355 330 1HG GLN 44 2HG GLN 44 2.590 5.742 7.827 331 2HG GLN 44 1HG GLN 44 3.709 5.089 9.022 332 1HE2 GLN 44 1HE2 GLN 44 3.803 7.686 7.882 333 2HE2 GLN 44 2HE2 GLN 44 5.290 7.824 7.013 334 H LEU 45 H LEU 45 3.340 0.729 7.361 335 HA LEU 45 HA LEU 45 1.461 0.211 5.251 336 1HB LEU 45 2HB LEU 45 3.554 -1.633 6.382 337 2HB LEU 45 1HB LEU 45 2.775 -1.752 4.814 338 1HD1 LEU 45 1HD1 LEU 45 6.179 -1.140 5.274 339 2HD1 LEU 45 2HD1 LEU 45 5.841 -0.775 3.583 340 3HD1 LEU 45 3HD1 LEU 45 5.055 -2.146 4.365 341 1HD2 LEU 45 1HD2 LEU 45 3.605 -0.077 2.909 342 2HD2 LEU 45 2HD2 LEU 45 4.469 1.338 3.507 343 3HD2 LEU 45 3HD2 LEU 45 2.812 1.031 4.029 344 H LYS 46 H LYS 46 2.116 -1.041 8.473 345 HA LYS 46 HA LYS 46 0.370 -3.231 8.439 346 1HB LYS 46 2HB LYS 46 1.670 -1.582 10.535 347 2HB LYS 46 1HB LYS 46 0.284 -2.543 11.035 348 1HG LYS 46 2HG LYS 46 1.424 -4.538 10.037 349 2HG LYS 46 1HG LYS 46 2.851 -3.524 9.817 350 1HD LYS 46 2HD LYS 46 3.396 -4.289 11.867 351 2HD LYS 46 1HD LYS 46 2.289 -3.029 12.414 352 1HE LYS 46 2HE LYS 46 1.002 -4.571 13.358 353 2HE LYS 46 1HE LYS 46 0.744 -5.321 11.784 354 1HZ LYS 46 1HZ LYS 46 3.160 -6.256 12.392 355 2HZ LYS 46 2HZ LYS 46 1.726 -7.061 12.787 356 3HZ LYS 46 3HZ LYS 46 2.509 -6.112 13.948 357 H ALA 47 H ALA 47 -0.227 0.175 8.815 358 HA ALA 47 HA ALA 47 -2.670 0.224 10.100 359 1HB ALA 47 1HB ALA 47 -1.323 2.206 9.416 360 2HB ALA 47 2HB ALA 47 -3.048 2.355 9.079 361 3HB ALA 47 3HB ALA 47 -1.923 1.985 7.773 362 H ASP 48 H ASP 48 -1.929 -0.759 6.836 363 HA ASP 48 HA ASP 48 -4.800 -1.160 6.320 364 1HB ASP 48 2HB ASP 48 -2.831 0.078 4.746 365 2HB ASP 48 1HB ASP 48 -3.143 -1.472 3.970 366 HA PRO 49 HA PRO 49 -3.597 -5.482 6.576 367 1HB PRO 49 2HB PRO 49 -6.034 -6.507 6.905 368 2HB PRO 49 1HB PRO 49 -5.267 -5.558 8.186 369 1HG PRO 49 2HG PRO 49 -7.375 -4.749 6.228 370 2HG PRO 49 1HG PRO 49 -7.231 -4.350 7.948 371 1HD PRO 49 2HD PRO 49 -6.464 -2.697 5.851 372 2HD PRO 49 1HD PRO 49 -5.895 -2.555 7.525 373 H ARG 50 H ARG 50 -3.690 -4.281 3.972 374 HA ARG 50 HA ARG 50 -5.042 -6.411 2.450 375 1HB ARG 50 2HB ARG 50 -4.378 -3.823 1.127 376 2HB ARG 50 1HB ARG 50 -5.697 -4.938 0.810 377 1HG ARG 50 2HG ARG 50 -6.608 -4.177 3.094 378 2HG ARG 50 1HG ARG 50 -5.486 -2.827 2.919 379 1HD ARG 50 2HD ARG 50 -7.344 -1.919 1.949 380 2HD ARG 50 1HD ARG 50 -6.599 -2.661 0.534 381 HE ARG 50 HE ARG 50 -8.345 -4.144 0.429 382 1HH1 ARG 50 1HH1 ARG 50 -8.408 -2.527 3.522 383 2HH1 ARG 50 2HH1 ARG 50 -9.959 -3.159 3.960 384 1HH2 ARG 50 1HH2 ARG 50 -10.384 -4.977 1.005 385 2HH2 ARG 50 2HH2 ARG 50 -11.081 -4.551 2.532 386 H LEU 51 H LEU 51 -2.199 -4.339 2.707 387 HA LEU 51 HA LEU 51 -0.807 -6.020 0.744 388 1HB LEU 51 2HB LEU 51 0.355 -3.542 1.977 389 2HB LEU 51 1HB LEU 51 0.749 -4.294 0.444 390 HG LEU 51 HG LEU 51 -0.377 -2.335 -0.142 391 1HD1 LEU 51 1HD1 LEU 51 -2.848 -3.900 -0.244 392 2HD1 LEU 51 2HD1 LEU 51 -1.425 -4.744 -0.853 393 3HD1 LEU 51 3HD1 LEU 51 -1.894 -3.192 -1.547 394 1HD2 LEU 51 1HD2 LEU 51 -2.877 -2.597 1.277 395 2HD2 LEU 51 2HD2 LEU 51 -1.761 -1.235 1.200 396 3HD2 LEU 51 3HD2 LEU 51 -1.512 -2.512 2.391 397 H VAL 52 H VAL 52 1.732 -6.056 1.427 398 HA VAL 52 HA VAL 52 1.772 -7.128 4.174 399 HB VAL 52 HB VAL 52 3.317 -8.810 3.518 400 1HG1 VAL 52 1HG1 VAL 52 1.986 -10.151 2.162 401 2HG1 VAL 52 2HG1 VAL 52 1.419 -8.783 1.203 402 3HG1 VAL 52 3HG1 VAL 52 0.839 -9.004 2.853 403 1HG2 VAL 52 1HG2 VAL 52 3.588 -7.190 1.021 404 2HG2 VAL 52 2HG2 VAL 52 3.918 -8.922 0.978 405 3HG2 VAL 52 3HG2 VAL 52 4.841 -7.875 2.056 406 H VAL 53 H VAL 53 3.378 -6.512 5.535 407 HA VAL 53 HA VAL 53 5.500 -4.795 4.417 408 HB VAL 53 HB VAL 53 3.979 -3.331 5.511 409 1HG1 VAL 53 1HG1 VAL 53 3.326 -3.537 7.848 410 2HG1 VAL 53 2HG1 VAL 53 4.233 -5.045 7.972 411 3HG1 VAL 53 3HG1 VAL 53 2.819 -4.951 6.922 412 1HG2 VAL 53 1HG2 VAL 53 5.438 -2.146 6.843 413 2HG2 VAL 53 2HG2 VAL 53 6.534 -3.181 5.926 414 3HG2 VAL 53 3HG2 VAL 53 6.105 -3.602 7.584 415 H GLN 54 H GLN 54 7.358 -5.780 4.626 416 HA GLN 54 HA GLN 54 7.938 -7.217 7.133 417 1HB GLN 54 2HB GLN 54 8.457 -8.072 4.299 418 2HB GLN 54 1HB GLN 54 9.426 -8.698 5.626 419 1HG GLN 54 2HG GLN 54 7.864 -10.173 6.143 420 2HG GLN 54 1HG GLN 54 6.647 -8.905 6.279 421 1HE2 GLN 54 1HE2 GLN 54 4.936 -9.527 5.168 422 2HE2 GLN 54 2HE2 GLN 54 4.947 -10.173 3.566 423 H ILE 55 H ILE 55 9.854 -6.797 8.080 424 HA ILE 55 HA ILE 55 11.485 -4.678 6.941 425 HB ILE 55 HB ILE 55 12.643 -4.682 9.114 426 1HG1 ILE 55 2HG1 ILE 55 10.915 -6.215 10.715 427 2HG1 ILE 55 1HG1 ILE 55 11.319 -7.243 9.344 428 1HG2 ILE 55 1HG2 ILE 55 10.422 -3.478 8.593 429 2HG2 ILE 55 2HG2 ILE 55 10.954 -3.585 10.271 430 3HG2 ILE 55 3HG2 ILE 55 9.702 -4.673 9.672 431 1HD1 ILE 55 1HD1 ILE 55 12.937 -7.729 10.944 432 2HD1 ILE 55 2HD1 ILE 55 13.147 -6.033 11.381 433 3HD1 ILE 55 3HD1 ILE 55 13.748 -6.627 9.832 434 H THR 56 H THR 56 13.095 -5.175 5.624 435 HA THR 56 HA THR 56 14.702 -7.570 6.216 436 HB THR 56 HB THR 56 15.158 -7.191 3.568 437 HG1 THR 56 1HG THR 56 13.157 -6.757 2.599 438 1HG2 THR 56 1HG2 THR 56 14.589 -9.329 3.805 439 2HG2 THR 56 2HG2 THR 56 12.952 -8.787 3.433 440 3HG2 THR 56 3HG2 THR 56 13.457 -8.982 5.112 441 H GLU 57 H GLU 57 16.479 -6.779 7.165 442 HA GLU 57 HA GLU 57 17.892 -4.577 5.806 443 1HB GLU 57 2HB GLU 57 18.906 -4.154 8.117 444 2HB GLU 57 1HB GLU 57 17.231 -3.675 7.872 445 1HG GLU 57 2HG GLU 57 16.483 -5.715 8.983 446 2HG GLU 57 1HG GLU 57 18.161 -6.196 9.229 447 H THR 58 H THR 58 19.231 -5.831 4.551 448 HA THR 58 HA THR 58 21.461 -7.048 5.930 449 HB THR 58 HB THR 58 21.108 -9.087 4.238 450 HG1 THR 58 1HG THR 58 18.465 -8.350 4.947 451 1HG2 THR 58 1HG2 THR 58 19.707 -8.902 6.893 452 2HG2 THR 58 2HG2 THR 58 21.386 -9.372 6.632 453 3HG2 THR 58 3HG2 THR 58 20.080 -10.387 6.019 454 H GLY 59 H GLY 59 21.083 -4.764 4.213 455 1HA GLY 59 2HA GLY 59 23.324 -4.916 2.600 456 2HA GLY 59 1HA GLY 59 21.969 -5.354 1.570 457 H SER 60 H SER 60 23.643 -3.092 1.203 458 HA SER 60 HA SER 60 21.816 -0.874 1.846 459 1HB SER 60 2HB SER 60 24.708 -0.650 0.994 460 2HB SER 60 1HB SER 60 23.684 0.625 1.652 461 HG SER 60 HG SER 60 25.059 -0.234 3.248 462 H GLN 61 H GLN 61 20.862 0.251 0.249 463 HA GLN 61 HA GLN 61 21.872 0.133 -2.466 464 1HB GLN 61 2HB GLN 61 19.564 -0.549 -3.310 465 2HB GLN 61 1HB GLN 61 20.553 -1.816 -2.598 466 1HG GLN 61 2HG GLN 61 19.082 -2.205 -0.977 467 2HG GLN 61 1HG GLN 61 18.853 -0.488 -0.650 468 1HE2 GLN 61 1HE2 GLN 61 16.807 -2.418 -0.621 469 2HE2 GLN 61 2HE2 GLN 61 15.692 -2.039 -1.885 470 H GLU 62 H GLU 62 20.932 1.709 -3.855 471 HA GLU 62 HA GLU 62 19.259 3.713 -2.497 472 1HB GLU 62 2HB GLU 62 21.855 4.176 -2.847 473 2HB GLU 62 1HB GLU 62 21.309 4.632 -4.456 474 1HG GLU 62 2HG GLU 62 20.343 5.799 -1.856 475 2HG GLU 62 1HG GLU 62 21.443 6.564 -3.001 476 H GLY 63 H GLY 63 20.661 3.072 -5.721 477 1HA GLY 63 2HA GLY 63 19.177 2.328 -7.519 478 2HA GLY 63 1HA GLY 63 17.938 3.366 -6.830 479 H GLY 64 H GLY 64 21.327 3.727 -7.902 480 1HA GLY 64 2HA GLY 64 20.832 5.354 -10.094 481 2HA GLY 64 1HA GLY 64 20.971 6.427 -8.709 482 H GLU 65 H GLU 65 22.647 4.219 -10.818 483 HA GLU 65 HA GLU 65 24.852 3.909 -11.281 484 1HB GLU 65 2HB GLU 65 24.797 6.672 -10.149 485 2HB GLU 65 1HB GLU 65 26.355 5.909 -10.433 486 1HG GLU 65 2HG GLU 65 26.072 6.968 -12.421 487 2HG GLU 65 1HG GLU 65 25.313 5.423 -12.797 488 H GLY 66 H GLY 66 23.768 2.804 -8.849 489 1HA GLY 66 2HA GLY 66 26.061 2.953 -7.013 490 2HA GLY 66 1HA GLY 66 24.466 2.341 -6.603 491 H LEU 67 H LEU 67 24.953 0.323 -5.918 492 HA LEU 67 HA LEU 67 26.155 -1.478 -7.910 493 1HB LEU 67 2HB LEU 67 27.338 -0.755 -5.509 494 2HB LEU 67 1HB LEU 67 26.600 -2.304 -5.150 495 HG LEU 67 HG LEU 67 27.791 -3.172 -7.244 496 1HD1 LEU 67 1HD1 LEU 67 28.852 -0.422 -7.056 497 2HD1 LEU 67 2HD1 LEU 67 28.630 -1.463 -8.463 498 3HD1 LEU 67 3HD1 LEU 67 30.018 -1.699 -7.401 499 1HD2 LEU 67 1HD2 LEU 67 29.378 -2.291 -4.836 500 2HD2 LEU 67 2HD2 LEU 67 29.895 -3.503 -6.007 501 3HD2 LEU 67 3HD2 LEU 67 28.472 -3.794 -5.007 502 H SER 68 H SER 68 24.297 -2.437 -8.591 503 HA SER 68 HA SER 68 22.758 -3.900 -6.550 504 1HB SER 68 2HB SER 68 21.667 -2.612 -9.063 505 2HB SER 68 1HB SER 68 20.734 -3.574 -7.916 506 HG SER 68 HG SER 68 21.493 -1.946 -6.321 507 H LYS 69 H LYS 69 23.339 -5.965 -6.768 508 HA LYS 69 HA LYS 69 22.777 -7.355 -9.207 509 1HB LYS 69 2HB LYS 69 25.517 -6.525 -8.616 510 2HB LYS 69 1HB LYS 69 25.369 -8.260 -8.860 511 1HG LYS 69 2HG LYS 69 24.396 -6.160 -10.786 512 2HG LYS 69 1HG LYS 69 25.920 -7.038 -10.921 513 1HD LYS 69 2HD LYS 69 24.902 -8.985 -11.541 514 2HD LYS 69 1HD LYS 69 23.436 -8.635 -10.623 515 1HE LYS 69 2HE LYS 69 24.262 -7.382 -13.239 516 2HE LYS 69 1HE LYS 69 22.972 -8.560 -13.001 517 1HZ LYS 69 1HZ LYS 69 21.765 -6.656 -12.969 518 2HZ LYS 69 2HZ LYS 69 23.028 -5.710 -12.360 519 3HZ LYS 69 3HZ LYS 69 22.154 -6.722 -11.324 520 H GLU 70 H GLU 70 21.479 -7.856 -7.044 521 HA GLU 70 HA GLU 70 21.967 -10.531 -6.420 522 1HB GLU 70 2HB GLU 70 23.617 -8.799 -4.936 523 2HB GLU 70 1HB GLU 70 22.361 -9.332 -3.827 524 1HG GLU 70 2HG GLU 70 23.043 -11.673 -5.016 525 2HG GLU 70 1HG GLU 70 24.585 -10.817 -5.020 526 HA PRO 71 HA PRO 71 18.541 -8.899 -3.398 527 1HB PRO 71 2HB PRO 71 18.047 -6.206 -3.499 528 2HB PRO 71 1HB PRO 71 19.110 -6.970 -2.313 529 1HG PRO 71 2HG PRO 71 19.812 -5.561 -4.858 530 2HG PRO 71 1HG PRO 71 20.604 -5.473 -3.273 531 1HD PRO 71 2HD PRO 71 21.609 -6.953 -5.278 532 2HD PRO 71 1HD PRO 71 21.729 -7.471 -3.585 533 H ALA 72 H ALA 72 16.352 -7.584 -3.798 534 HA ALA 72 HA ALA 72 14.511 -7.332 -5.111 535 1HB ALA 72 1HB ALA 72 15.107 -6.714 -7.605 536 2HB ALA 72 2HB ALA 72 16.712 -6.471 -6.917 537 3HB ALA 72 3HB ALA 72 15.338 -5.559 -6.293 538 H GLY 73 H GLY 73 14.257 -9.674 -4.741 539 1HA GLY 73 2HA GLY 73 13.199 -11.137 -6.654 540 2HA GLY 73 1HA GLY 73 14.898 -11.365 -7.042 541 H SER 74 H SER 74 16.028 -11.586 -4.548 542 HA SER 74 HA SER 74 16.485 -13.105 -2.920 543 1HB SER 74 2HB SER 74 13.864 -12.340 -2.514 544 2HB SER 74 1HB SER 74 13.753 -14.100 -2.548 545 HG SER 74 HG SER 74 15.602 -13.992 -1.017 546 H ASP 75 H ASP 75 15.797 -15.541 -2.244 547 HA ASP 75 HA ASP 75 16.231 -17.077 -4.686 548 1HB ASP 75 2HB ASP 75 17.582 -17.270 -2.451 549 2HB ASP 75 1HB ASP 75 16.230 -18.274 -1.935 550 H GLU 76 H GLU 76 15.138 -19.219 -4.870 551 HA GLU 76 HA GLU 76 12.331 -19.006 -4.000 552 1HB GLU 76 2HB GLU 76 13.566 -19.689 -6.594 553 2HB GLU 76 1HB GLU 76 12.209 -20.701 -6.117 554 1HG GLU 76 2HG GLU 76 11.202 -19.025 -7.340 555 2HG GLU 76 1HG GLU 76 10.989 -18.478 -5.678 556 H GLN 77 H GLN 77 11.363 -20.737 -3.055 557 HA GLN 77 HA GLN 77 12.623 -23.341 -3.069 558 1HB GLN 77 2HB GLN 77 13.306 -21.574 -1.033 559 2HB GLN 77 1HB GLN 77 12.068 -22.592 -0.310 560 1HG GLN 77 2HG GLN 77 13.330 -24.514 -0.531 561 2HG GLN 77 1HG GLN 77 14.338 -23.828 -1.803 562 1HE2 GLN 77 1HE2 GLN 77 15.150 -25.148 0.641 563 2HE2 GLN 77 2HE2 GLN 77 16.112 -24.011 1.518 564 H LYS 78 H LYS 78 11.307 -24.859 -1.552 565 HA LYS 78 HA LYS 78 8.637 -24.841 -2.459 566 1HB LYS 78 2HB LYS 78 8.336 -26.744 -0.864 567 2HB LYS 78 1HB LYS 78 9.693 -26.935 -1.966 568 1HG LYS 78 2HG LYS 78 11.218 -26.882 -0.312 569 2HG LYS 78 1HG LYS 78 10.325 -25.677 0.618 570 1HD LYS 78 2HD LYS 78 8.842 -27.333 1.482 571 2HD LYS 78 1HD LYS 78 9.473 -28.557 0.378 572 1HE LYS 78 2HE LYS 78 11.297 -28.955 1.652 573 2HE LYS 78 1HE LYS 78 11.454 -27.269 2.141 574 1HZ LYS 78 1HZ LYS 78 9.284 -27.839 3.465 575 2HZ LYS 78 2HZ LYS 78 10.809 -28.212 4.095 576 3HZ LYS 78 3HZ LYS 78 9.882 -29.418 3.358 577 H GLN 79 H GLN 79 6.876 -25.361 -0.616 578 HA GLN 79 HA GLN 79 6.252 -22.897 0.557 579 1HB GLN 79 2HB GLN 79 5.208 -25.669 1.159 580 2HB GLN 79 1HB GLN 79 4.506 -24.193 1.808 581 1HG GLN 79 2HG GLN 79 4.817 -24.175 -1.096 582 2HG GLN 79 1HG GLN 79 3.740 -25.434 -0.494 583 1HE2 GLN 79 1HE2 GLN 79 2.031 -24.727 0.999 584 2HE2 GLN 79 2HE2 GLN 79 1.304 -23.181 0.741 585 H LEU 80 H LEU 80 7.038 -21.932 2.299 586 HA LEU 80 HA LEU 80 7.473 -23.253 4.765 587 1HB LEU 80 2HB LEU 80 9.579 -23.568 3.015 588 2HB LEU 80 1HB LEU 80 10.077 -22.186 3.970 589 HG LEU 80 HG LEU 80 10.976 -24.183 4.959 590 1HD1 LEU 80 1HD1 LEU 80 9.709 -22.285 6.336 591 2HD1 LEU 80 2HD1 LEU 80 10.487 -23.666 7.110 592 3HD1 LEU 80 3HD1 LEU 80 8.745 -23.676 6.834 593 1HD2 LEU 80 1HD2 LEU 80 8.127 -25.167 4.985 594 2HD2 LEU 80 2HD2 LEU 80 9.460 -25.946 5.838 595 3HD2 LEU 80 3HD2 LEU 80 9.480 -25.840 4.077 596 H ARG 81 H ARG 81 7.733 -21.817 6.455 597 HA ARG 81 HA ARG 81 7.609 -19.837 7.564 598 1HB ARG 81 2HB ARG 81 9.394 -19.244 5.270 599 2HB ARG 81 1HB ARG 81 8.727 -17.860 6.125 600 1HG ARG 81 2HG ARG 81 10.164 -20.105 7.513 601 2HG ARG 81 1HG ARG 81 10.976 -18.659 6.910 602 1HD ARG 81 2HD ARG 81 8.875 -18.861 9.051 603 2HD ARG 81 1HD ARG 81 10.527 -18.261 9.197 604 HE ARG 81 HE ARG 81 8.231 -16.789 8.344 605 1HH1 ARG 81 1HH1 ARG 81 11.695 -17.048 8.008 606 2HH1 ARG 81 2HH1 ARG 81 11.903 -15.384 7.576 607 1HH2 ARG 81 1HH2 ARG 81 8.502 -14.601 7.774 608 2HH2 ARG 81 2HH2 ARG 81 10.091 -13.994 7.443 609 H ALA 82 H ALA 82 5.347 -20.574 6.166 610 HA ALA 82 HA ALA 82 4.363 -18.322 4.649 611 1HB ALA 82 1HB ALA 82 2.435 -19.599 4.247 612 2HB ALA 82 2HB ALA 82 2.702 -20.606 5.671 613 3HB ALA 82 3HB ALA 82 3.755 -20.768 4.265 614 H ASP 83 H ASP 83 2.202 -17.361 5.255 615 HA ASP 83 HA ASP 83 2.376 -16.412 7.991 616 1HB ASP 83 2HB ASP 83 1.264 -15.429 5.483 617 2HB ASP 83 1HB ASP 83 0.151 -15.212 6.830 618 HA PRO 84 HA PRO 84 -2.161 -18.231 7.914 619 1HB PRO 84 2HB PRO 84 -1.921 -20.246 5.765 620 2HB PRO 84 1HB PRO 84 -3.234 -19.115 6.106 621 1HG PRO 84 2HG PRO 84 -1.607 -18.764 4.011 622 2HG PRO 84 1HG PRO 84 -2.234 -17.389 4.940 623 1HD PRO 84 2HD PRO 84 0.473 -18.666 5.033 624 2HD PRO 84 1HD PRO 84 0.033 -16.947 5.104 625 HA PRO 85 HA PRO 85 0.034 -21.566 10.089 626 1HB PRO 85 2HB PRO 85 -1.401 -21.449 12.360 627 2HB PRO 85 1HB PRO 85 -0.146 -20.261 11.986 628 1HG PRO 85 2HG PRO 85 -3.117 -20.037 11.688 629 2HG PRO 85 1HG PRO 85 -1.963 -18.846 12.315 630 1HD PRO 85 2HD PRO 85 -2.958 -18.789 9.771 631 2HD PRO 85 1HD PRO 85 -1.370 -18.136 10.216 632 H SER 86 H SER 86 -0.418 -23.708 10.238 633 HA SER 86 HA SER 86 -1.517 -25.678 9.959 634 1HB SER 86 2HB SER 86 -2.760 -24.513 11.990 635 2HB SER 86 1HB SER 86 -4.101 -24.467 10.846 636 HG SER 86 HG SER 86 -4.310 -26.564 11.000 637 H THR 87 H THR 87 -1.250 -24.367 7.642 638 HA THR 87 HA THR 87 -2.022 -24.214 5.510 639 HB THR 87 HB THR 87 -3.457 -25.906 4.734 640 HG1 THR 87 1HG THR 87 -5.104 -26.726 5.860 641 1HG2 THR 87 1HG2 THR 87 -1.420 -26.794 5.911 642 2HG2 THR 87 2HG2 THR 87 -2.762 -27.924 5.726 643 3HG2 THR 87 3HG2 THR 87 -2.472 -27.145 7.282 644 H ASP 88 H ASP 88 -3.788 -23.401 4.143 645 HA ASP 88 HA ASP 88 -6.227 -22.455 5.117 646 1HB ASP 88 2HB ASP 88 -4.098 -20.926 6.095 647 2HB ASP 88 1HB ASP 88 -4.768 -19.971 4.775 648 H LEU 89 H LEU 89 -3.528 -21.837 2.933 649 HA LEU 89 HA LEU 89 -5.445 -21.048 0.847 650 1HB LEU 89 2HB LEU 89 -3.604 -19.459 1.422 651 2HB LEU 89 1HB LEU 89 -2.455 -20.661 0.868 652 HG LEU 89 HG LEU 89 -3.316 -20.519 -1.389 653 1HD1 LEU 89 1HD1 LEU 89 -5.320 -18.609 -0.205 654 2HD1 LEU 89 2HD1 LEU 89 -5.641 -20.145 -1.013 655 3HD1 LEU 89 3HD1 LEU 89 -5.020 -18.777 -1.936 656 1HD2 LEU 89 1HD2 LEU 89 -2.766 -17.822 -0.159 657 2HD2 LEU 89 2HD2 LEU 89 -2.728 -18.169 -1.888 658 3HD2 LEU 89 3HD2 LEU 89 -1.577 -18.953 -0.806 659 H ASN 90 H ASN 90 -2.536 -23.029 1.368 660 HA ASN 90 HA ASN 90 -2.321 -24.248 -1.081 661 1HB ASN 90 2HB ASN 90 -1.482 -26.280 0.282 662 2HB ASN 90 1HB ASN 90 -0.617 -24.754 0.433 663 1HD2 ASN 90 1HD2 ASN 90 -0.226 -24.055 2.402 664 2HD2 ASN 90 2HD2 ASN 90 -1.038 -24.563 3.839 665 H THR 91 H THR 91 -4.477 -25.189 1.588 666 HA THR 91 HA THR 91 -5.461 -27.541 0.424 667 HB THR 91 HB THR 91 -6.913 -25.668 2.296 668 HG1 THR 91 1HG THR 91 -6.002 -26.977 3.916 669 1HG2 THR 91 1HG2 THR 91 -8.509 -27.224 1.628 670 2HG2 THR 91 2HG2 THR 91 -7.861 -27.880 3.131 671 3HG2 THR 91 3HG2 THR 91 -7.338 -28.543 1.582 672 H PHE 92 H PHE 92 -6.022 -24.289 -0.509 673 HA PHE 92 HA PHE 92 -8.562 -24.925 -1.792 674 1HB PHE 92 2HB PHE 92 -7.021 -22.342 -1.464 675 2HB PHE 92 1HB PHE 92 -8.487 -22.464 -2.426 676 HD1 PHE 92 1HD PHE 92 -7.195 -23.143 0.995 677 HD2 PHE 92 2HD PHE 92 -10.543 -22.130 -1.428 678 HE1 PHE 92 1HE PHE 92 -8.550 -22.793 3.019 679 HE2 PHE 92 2HE PHE 92 -11.903 -21.777 0.591 680 HZ PHE 92 HZ PHE 92 -10.907 -22.108 2.818 681 H THR 93 H THR 93 -7.939 -26.330 -3.417 682 HA THR 93 HA THR 93 -5.767 -25.913 -5.161 683 HB THR 93 HB THR 93 -7.073 -27.591 -6.626 684 HG1 THR 93 1HG THR 93 -8.955 -28.204 -5.951 685 1HG2 THR 93 1HG2 THR 93 -6.692 -29.467 -5.045 686 2HG2 THR 93 2HG2 THR 93 -6.289 -28.276 -3.809 687 3HG2 THR 93 3HG2 THR 93 -5.301 -28.406 -5.263 688 H VAL 94 H VAL 94 -8.643 -26.417 -6.998 689 HA VAL 94 HA VAL 94 -8.572 -23.642 -7.952 690 HB VAL 94 HB VAL 94 -8.777 -26.000 -9.816 691 1HG1 VAL 94 1HG1 VAL 94 -8.986 -24.520 -11.502 692 2HG1 VAL 94 2HG1 VAL 94 -7.893 -23.354 -10.754 693 3HG1 VAL 94 3HG1 VAL 94 -9.573 -23.453 -10.226 694 1HG2 VAL 94 1HG2 VAL 94 -6.384 -24.409 -8.943 695 2HG2 VAL 94 2HG2 VAL 94 -6.433 -25.246 -10.494 696 3HG2 VAL 94 3HG2 VAL 94 -6.585 -26.160 -8.993 697 H GLU 95 H GLU 95 -10.345 -26.696 -8.377 698 HA GLU 95 HA GLU 95 -12.792 -25.482 -9.091 699 1HB GLU 95 2HB GLU 95 -13.772 -27.719 -8.652 700 2HB GLU 95 1HB GLU 95 -12.348 -27.783 -9.682 701 1HG GLU 95 2HG GLU 95 -10.992 -28.492 -7.798 702 2HG GLU 95 1HG GLU 95 -12.392 -28.377 -6.732 703 H GLN 96 H GLN 96 -11.243 -25.913 -6.076 704 HA GLN 96 HA GLN 96 -13.646 -25.829 -4.482 705 1HB GLN 96 2HB GLN 96 -11.066 -26.701 -4.028 706 2HB GLN 96 1HB GLN 96 -11.121 -25.188 -3.135 707 1HG GLN 96 2HG GLN 96 -12.424 -26.043 -1.544 708 2HG GLN 96 1HG GLN 96 -13.466 -26.863 -2.707 709 1HE2 GLN 96 1HE2 GLN 96 -10.273 -27.069 -1.197 710 2HE2 GLN 96 2HE2 GLN 96 -10.212 -28.795 -1.148 711 H LEU 97 H LEU 97 -11.481 -23.634 -5.943 712 HA LEU 97 HA LEU 97 -11.950 -21.413 -4.204 713 1HB LEU 97 2HB LEU 97 -11.005 -21.434 -7.077 714 2HB LEU 97 1HB LEU 97 -10.917 -20.092 -5.981 715 HG LEU 97 HG LEU 97 -9.052 -20.884 -4.924 716 1HD1 LEU 97 1HD1 LEU 97 -9.682 -23.699 -5.798 717 2HD1 LEU 97 2HD1 LEU 97 -10.056 -23.033 -4.208 718 3HD1 LEU 97 3HD1 LEU 97 -8.380 -23.186 -4.732 719 1HD2 LEU 97 1HD2 LEU 97 -8.965 -22.135 -7.653 720 2HD2 LEU 97 2HD2 LEU 97 -7.561 -21.844 -6.631 721 3HD2 LEU 97 3HD2 LEU 97 -8.516 -20.494 -7.231 722 H LYS 98 H LYS 98 -12.884 -22.159 -7.525 723 HA LYS 98 HA LYS 98 -14.788 -20.134 -7.839 724 1HB LYS 98 2HB LYS 98 -15.605 -21.470 -9.747 725 2HB LYS 98 1HB LYS 98 -13.854 -21.326 -9.732 726 1HG LYS 98 2HG LYS 98 -13.972 -23.610 -8.472 727 2HG LYS 98 1HG LYS 98 -15.562 -23.709 -9.231 728 1HD LYS 98 2HD LYS 98 -13.855 -24.788 -10.609 729 2HD LYS 98 1HD LYS 98 -14.541 -23.382 -11.425 730 1HE LYS 98 2HE LYS 98 -12.588 -22.270 -11.416 731 2HE LYS 98 1HE LYS 98 -12.180 -22.800 -9.784 732 1HZ LYS 98 1HZ LYS 98 -12.067 -24.763 -11.959 733 2HZ LYS 98 2HZ LYS 98 -11.132 -24.658 -10.554 734 3HZ LYS 98 3HZ LYS 98 -10.827 -23.618 -11.851 735 H ALA 99 H ALA 99 -15.050 -23.296 -6.354 736 HA ALA 99 HA ALA 99 -17.934 -23.192 -6.285 737 1HB ALA 99 1HB ALA 99 -17.493 -25.262 -4.732 738 2HB ALA 99 2HB ALA 99 -15.883 -25.168 -5.445 739 3HB ALA 99 3HB ALA 99 -17.295 -25.381 -6.481 740 H GLN 100 H GLN 100 -15.331 -22.332 -4.259 741 HA GLN 100 HA GLN 100 -16.986 -22.124 -1.886 742 1HB GLN 100 2HB GLN 100 -14.078 -21.615 -2.451 743 2HB GLN 100 1HB GLN 100 -14.817 -21.055 -0.959 744 1HG GLN 100 2HG GLN 100 -15.372 -23.856 -1.575 745 2HG GLN 100 1HG GLN 100 -13.663 -23.494 -1.335 746 1HE2 GLN 100 1HE2 GLN 100 -12.971 -23.629 0.667 747 2HE2 GLN 100 2HE2 GLN 100 -13.928 -23.451 2.094 748 H LEU 101 H LEU 101 -15.521 -20.035 -4.302 749 HA LEU 101 HA LEU 101 -15.949 -17.566 -3.075 750 1HB LEU 101 2HB LEU 101 -15.582 -18.511 -5.864 751 2HB LEU 101 1HB LEU 101 -16.290 -16.920 -5.671 752 HG LEU 101 HG LEU 101 -13.562 -17.853 -4.805 753 1HD1 LEU 101 1HD1 LEU 101 -12.841 -15.941 -6.182 754 2HD1 LEU 101 2HD1 LEU 101 -14.524 -15.656 -6.624 755 3HD1 LEU 101 3HD1 LEU 101 -13.729 -17.153 -7.106 756 1HD2 LEU 101 1HD2 LEU 101 -15.235 -15.814 -3.593 757 2HD2 LEU 101 2HD2 LEU 101 -13.720 -15.158 -4.209 758 3HD2 LEU 101 3HD2 LEU 101 -13.698 -16.485 -3.049 759 H THR 102 H THR 102 -18.018 -19.420 -5.271 760 HA THR 102 HA THR 102 -20.166 -17.569 -5.244 761 HB THR 102 HB THR 102 -21.313 -20.024 -5.795 762 HG1 THR 102 1HG THR 102 -18.741 -20.085 -6.957 763 1HG2 THR 102 1HG2 THR 102 -20.729 -19.441 -8.217 764 2HG2 THR 102 2HG2 THR 102 -20.007 -17.981 -7.534 765 3HG2 THR 102 3HG2 THR 102 -21.723 -18.315 -7.291 766 H GLU 103 H GLU 103 -19.336 -20.401 -3.336 767 HA GLU 103 HA GLU 103 -21.789 -20.339 -1.861 768 1HB GLU 103 2HB GLU 103 -19.218 -21.837 -1.347 769 2HB GLU 103 1HB GLU 103 -20.706 -22.067 -0.438 770 1HG GLU 103 2HG GLU 103 -20.580 -22.440 -3.412 771 2HG GLU 103 1HG GLU 103 -20.188 -23.735 -2.280 772 H ARG 104 H ARG 104 -19.100 -18.435 -1.808 773 HA ARG 104 HA ARG 104 -19.282 -17.889 1.069 774 1HB ARG 104 2HB ARG 104 -17.035 -18.330 0.061 775 2HB ARG 104 1HB ARG 104 -17.228 -16.867 -0.894 776 1HG ARG 104 2HG ARG 104 -16.807 -15.506 0.853 777 2HG ARG 104 1HG ARG 104 -17.605 -16.569 2.014 778 1HD ARG 104 2HD ARG 104 -15.133 -17.626 0.816 779 2HD ARG 104 1HD ARG 104 -14.926 -16.218 1.855 780 HE ARG 104 HE ARG 104 -15.633 -18.881 2.664 781 1HH1 ARG 104 1HH1 ARG 104 -15.809 -15.500 3.508 782 2HH1 ARG 104 2HH1 ARG 104 -15.982 -15.804 5.204 783 1HH2 ARG 104 1HH2 ARG 104 -15.862 -19.283 4.894 784 2HH2 ARG 104 2HH2 ARG 104 -16.012 -17.951 5.991 785 H GLY 105 H GLY 105 -20.280 -16.677 -1.954 786 1HA GLY 105 2HA GLY 105 -21.881 -14.922 -2.097 787 2HA GLY 105 1HA GLY 105 -21.199 -14.220 -0.638 788 H ILE 106 H ILE 106 -19.388 -15.305 -3.471 789 HA ILE 106 HA ILE 106 -18.912 -12.522 -4.245 790 HB ILE 106 HB ILE 106 -16.636 -14.461 -3.851 791 1HG1 ILE 106 2HG1 ILE 106 -16.172 -12.497 -2.048 792 2HG1 ILE 106 1HG1 ILE 106 -17.931 -12.551 -1.998 793 1HG2 ILE 106 1HG2 ILE 106 -15.534 -12.005 -3.902 794 2HG2 ILE 106 2HG2 ILE 106 -16.911 -11.753 -4.973 795 3HG2 ILE 106 3HG2 ILE 106 -15.736 -13.018 -5.330 796 1HD1 ILE 106 1HD1 ILE 106 -17.906 -14.397 -0.779 797 2HD1 ILE 106 2HD1 ILE 106 -16.163 -14.181 -0.620 798 3HD1 ILE 106 3HD1 ILE 106 -16.812 -15.202 -1.903 799 H THR 107 H THR 107 -20.063 -12.890 -6.152 800 HA THR 107 HA THR 107 -19.741 -15.081 -7.862 801 HB THR 107 HB THR 107 -21.637 -13.586 -8.069 802 HG1 THR 107 1HG THR 107 -20.806 -14.661 -9.977 803 1HG2 THR 107 1HG2 THR 107 -19.696 -11.495 -9.022 804 2HG2 THR 107 2HG2 THR 107 -20.588 -11.464 -7.502 805 3HG2 THR 107 3HG2 THR 107 -21.455 -11.366 -9.035 806 H PHE 108 H PHE 108 -18.753 -15.114 -10.005 807 HA PHE 108 HA PHE 108 -16.542 -13.289 -10.468 808 1HB PHE 108 2HB PHE 108 -14.915 -15.172 -10.717 809 2HB PHE 108 1HB PHE 108 -15.456 -14.919 -9.060 810 HD1 PHE 108 2HD PHE 108 -17.647 -16.345 -8.459 811 HD2 PHE 108 1HD PHE 108 -14.782 -17.336 -11.447 812 HE1 PHE 108 2HE PHE 108 -18.326 -18.705 -8.321 813 HE2 PHE 108 1HE PHE 108 -15.458 -19.699 -11.314 814 HZ PHE 108 HZ PHE 108 -17.232 -20.385 -9.750 815 H LYS 109 H LYS 109 -18.177 -12.891 -12.189 816 HA LYS 109 HA LYS 109 -18.735 -14.821 -14.173 817 1HB LYS 109 2HB LYS 109 -19.971 -12.638 -13.718 818 2HB LYS 109 1HB LYS 109 -18.688 -11.841 -14.617 819 1HG LYS 109 2HG LYS 109 -19.283 -13.597 -16.456 820 2HG LYS 109 1HG LYS 109 -20.814 -13.689 -15.583 821 1HD LYS 109 2HD LYS 109 -21.305 -11.431 -15.982 822 2HD LYS 109 1HD LYS 109 -19.638 -11.056 -16.419 823 1HE LYS 109 2HE LYS 109 -19.897 -11.769 -18.546 824 2HE LYS 109 1HE LYS 109 -20.967 -13.091 -18.083 825 1HZ LYS 109 1HZ LYS 109 -22.299 -11.624 -19.287 826 2HZ LYS 109 2HZ LYS 109 -21.655 -10.253 -18.537 827 3HZ LYS 109 3HZ LYS 109 -22.680 -11.283 -17.674 828 H GLN 110 H GLN 110 -16.720 -11.899 -14.554 829 HA GLN 110 HA GLN 110 -14.760 -13.495 -16.029 830 1HB GLN 110 2HB GLN 110 -16.619 -12.063 -17.403 831 2HB GLN 110 1HB GLN 110 -15.343 -10.865 -17.231 832 1HG GLN 110 2HG GLN 110 -14.793 -11.853 -19.224 833 2HG GLN 110 1HG GLN 110 -13.801 -12.766 -18.089 834 1HE2 GLN 110 1HE2 GLN 110 -13.711 -14.477 -19.590 835 2HE2 GLN 110 2HE2 GLN 110 -15.045 -15.552 -19.806 836 H SER 111 H SER 111 -14.732 -12.301 -13.396 837 HA SER 111 HA SER 111 -12.680 -10.221 -13.760 838 1HB SER 111 2HB SER 111 -14.748 -10.676 -11.645 839 2HB SER 111 1HB SER 111 -13.237 -9.880 -11.200 840 HG SER 111 HG SER 111 -13.705 -8.218 -12.525 841 H ALA 112 H ALA 112 -13.465 -13.252 -12.183 842 HA ALA 112 HA ALA 112 -10.646 -13.482 -11.352 843 1HB ALA 112 1HB ALA 112 -12.417 -13.339 -9.514 844 2HB ALA 112 2HB ALA 112 -11.260 -14.666 -9.426 845 3HB ALA 112 3HB ALA 112 -12.894 -14.960 -10.020 846 H THR 113 H THR 113 -10.094 -14.417 -13.370 847 HA THR 113 HA THR 113 -11.388 -16.607 -14.532 848 HB THR 113 HB THR 113 -8.714 -16.896 -15.233 849 HG1 THR 113 1HG THR 113 -8.120 -15.052 -14.114 850 1HG2 THR 113 1HG2 THR 113 -9.335 -16.146 -17.292 851 2HG2 THR 113 2HG2 THR 113 -10.367 -14.873 -16.641 852 3HG2 THR 113 3HG2 THR 113 -10.908 -16.552 -16.606 853 H LYS 114 H LYS 114 -8.075 -17.047 -13.354 854 HA LYS 114 HA LYS 114 -8.996 -19.221 -11.652 855 1HB LYS 114 2HB LYS 114 -7.454 -20.835 -12.581 856 2HB LYS 114 1HB LYS 114 -8.510 -20.232 -13.848 857 1HG LYS 114 2HG LYS 114 -5.918 -18.852 -13.500 858 2HG LYS 114 1HG LYS 114 -5.880 -20.489 -14.150 859 1HD LYS 114 2HD LYS 114 -7.793 -19.573 -15.701 860 2HD LYS 114 1HD LYS 114 -7.073 -18.011 -15.302 861 1HE LYS 114 2HE LYS 114 -5.164 -18.441 -16.454 862 2HE LYS 114 1HE LYS 114 -5.220 -20.171 -16.113 863 1HZ LYS 114 1HZ LYS 114 -7.286 -19.083 -17.866 864 2HZ LYS 114 2HZ LYS 114 -6.500 -20.580 -17.920 865 3HZ LYS 114 3HZ LYS 114 -5.721 -19.195 -18.498 866 H ALA 115 H ALA 115 -6.348 -17.130 -12.635 867 HA ALA 115 HA ALA 115 -4.772 -17.857 -10.325 868 1HB ALA 115 1HB ALA 115 -3.281 -17.291 -11.932 869 2HB ALA 115 2HB ALA 115 -3.517 -15.675 -11.264 870 3HB ALA 115 3HB ALA 115 -4.390 -16.167 -12.717 871 H GLU 116 H GLU 116 -7.153 -15.527 -11.185 872 HA GLU 116 HA GLU 116 -6.497 -13.729 -9.011 873 1HB GLU 116 2HB GLU 116 -8.754 -13.747 -11.013 874 2HB GLU 116 1HB GLU 116 -8.560 -12.518 -9.770 875 1HG GLU 116 2HG GLU 116 -6.099 -12.765 -11.159 876 2HG GLU 116 1HG GLU 116 -7.395 -12.636 -12.348 877 H LEU 117 H LEU 117 -8.903 -16.199 -9.751 878 HA LEU 117 HA LEU 117 -10.374 -15.655 -7.332 879 1HB LEU 117 2HB LEU 117 -11.999 -17.000 -8.139 880 2HB LEU 117 1HB LEU 117 -11.197 -16.654 -9.644 881 HG LEU 117 HG LEU 117 -11.215 -19.207 -8.072 882 1HD1 LEU 117 1HD1 LEU 117 -12.953 -19.003 -9.669 883 2HD1 LEU 117 2HD1 LEU 117 -11.736 -20.059 -10.383 884 3HD1 LEU 117 3HD1 LEU 117 -11.852 -18.376 -10.894 885 1HD2 LEU 117 1HD2 LEU 117 -8.988 -19.307 -8.513 886 2HD2 LEU 117 2HD2 LEU 117 -9.087 -18.186 -9.868 887 3HD2 LEU 117 3HD2 LEU 117 -9.597 -19.862 -10.065 888 H ILE 118 H ILE 118 -7.647 -17.533 -8.169 889 HA ILE 118 HA ILE 118 -7.971 -19.327 -5.917 890 HB ILE 118 HB ILE 118 -6.809 -20.149 -7.925 891 1HG1 ILE 118 2HG1 ILE 118 -6.280 -20.904 -5.520 892 2HG1 ILE 118 1HG1 ILE 118 -5.168 -21.380 -6.797 893 1HG2 ILE 118 1HG2 ILE 118 -4.588 -18.227 -7.275 894 2HG2 ILE 118 2HG2 ILE 118 -5.735 -18.037 -8.604 895 3HG2 ILE 118 3HG2 ILE 118 -4.628 -19.405 -8.583 896 1HD1 ILE 118 1HD1 ILE 118 -3.496 -20.458 -5.691 897 2HD1 ILE 118 2HD1 ILE 118 -4.609 -20.012 -4.398 898 3HD1 ILE 118 3HD1 ILE 118 -4.303 -18.891 -5.723 899 H ALA 119 H ALA 119 -6.464 -16.287 -6.683 900 HA ALA 119 HA ALA 119 -4.853 -16.236 -4.271 901 1HB ALA 119 1HB ALA 119 -4.571 -15.066 -6.737 902 2HB ALA 119 2HB ALA 119 -3.674 -14.629 -5.284 903 3HB ALA 119 3HB ALA 119 -5.120 -13.725 -5.732 904 H LEU 120 H LEU 120 -7.847 -14.917 -5.517 905 HA LEU 120 HA LEU 120 -8.374 -12.859 -3.783 906 1HB LEU 120 2HB LEU 120 -9.787 -14.100 -5.710 907 2HB LEU 120 1HB LEU 120 -10.641 -14.687 -4.297 908 HG LEU 120 HG LEU 120 -10.968 -12.310 -3.587 909 1HD1 LEU 120 1HD1 LEU 120 -10.326 -10.522 -4.849 910 2HD1 LEU 120 2HD1 LEU 120 -10.328 -11.440 -6.355 911 3HD1 LEU 120 3HD1 LEU 120 -9.002 -11.631 -5.208 912 1HD2 LEU 120 1HD2 LEU 120 -12.108 -12.670 -6.327 913 2HD2 LEU 120 2HD2 LEU 120 -12.873 -12.038 -4.869 914 3HD2 LEU 120 3HD2 LEU 120 -12.562 -13.766 -5.022 915 H PHE 121 H PHE 121 -8.804 -16.325 -3.209 916 HA PHE 121 HA PHE 121 -10.075 -16.065 -0.698 917 1HB PHE 121 2HB PHE 121 -8.615 -18.254 -2.108 918 2HB PHE 121 1HB PHE 121 -8.967 -18.443 -0.393 919 HD1 PHE 121 2HD PHE 121 -11.395 -18.174 0.348 920 HD2 PHE 121 1HD PHE 121 -10.224 -18.718 -3.703 921 HE1 PHE 121 2HE PHE 121 -13.670 -18.917 -0.204 922 HE2 PHE 121 1HE PHE 121 -12.493 -19.458 -4.263 923 HZ PHE 121 HZ PHE 121 -14.217 -19.558 -2.513 924 H ALA 122 H ALA 122 -8.782 -14.326 0.267 925 HA ALA 122 HA ALA 122 -6.879 -15.369 2.105 926 1HB ALA 122 1HB ALA 122 -4.984 -15.096 0.996 927 2HB ALA 122 2HB ALA 122 -5.289 -13.359 0.962 928 3HB ALA 122 3HB ALA 122 -5.838 -14.378 -0.369 929 HA PRO 123 HA PRO 123 -7.393 -10.728 3.078 930 1HB PRO 123 2HB PRO 123 -8.666 -9.371 0.847 931 2HB PRO 123 1HB PRO 123 -7.086 -9.067 1.571 932 1HG PRO 123 2HG PRO 123 -7.401 -10.088 -0.929 933 2HG PRO 123 1HG PRO 123 -6.000 -10.447 0.096 934 1HD PRO 123 2HD PRO 123 -8.455 -12.094 -0.400 935 2HD PRO 123 1HD PRO 123 -6.756 -12.604 -0.336 936 H ALA 124 H ALA 124 -9.156 -12.400 3.905 937 HA ALA 124 HA ALA 124 -11.669 -10.920 3.895 938 1HB ALA 124 1HB ALA 124 -13.016 -12.570 3.095 939 2HB ALA 124 2HB ALA 124 -11.947 -13.862 3.642 940 3HB ALA 124 3HB ALA 124 -11.552 -12.948 2.186 941 H ASP 125 H ASP 125 -13.015 -11.361 5.704 942 HA ASP 125 HA ASP 125 -13.422 -11.751 7.906 943 1HB ASP 125 2HB ASP 125 -12.780 -14.180 6.849 944 2HB ASP 125 1HB ASP 125 -11.590 -14.049 8.140 945 H GLY 126 H GLY 126 -12.335 -11.993 10.103 946 1HA GLY 126 2HA GLY 126 -9.545 -11.509 10.347 947 2HA GLY 126 1HA GLY 126 -10.441 -10.000 10.459 948 H GLU 127 H GLU 127 -11.321 -9.444 12.362 949 HA GLU 127 HA GLU 127 -12.223 -11.280 14.313 950 1HB GLU 127 2HB GLU 127 -9.597 -11.363 14.382 951 2HB GLU 127 1HB GLU 127 -9.772 -9.852 15.265 952 1HG GLU 127 2HG GLU 127 -9.638 -11.525 16.897 953 2HG GLU 127 1HG GLU 127 -11.345 -11.091 16.807 954 H LYS 128 H LYS 128 -13.164 -10.253 16.128 955 HA LYS 128 HA LYS 128 -13.585 -7.372 15.729 956 1HB LYS 128 2HB LYS 128 -15.460 -9.299 15.857 957 2HB LYS 128 1HB LYS 128 -15.346 -8.894 17.564 958 1HG LYS 128 2HG LYS 128 -15.504 -6.425 16.471 959 2HG LYS 128 1HG LYS 128 -16.469 -7.363 15.328 960 1HD LYS 128 2HD LYS 128 -17.913 -8.130 17.075 961 2HD LYS 128 1HD LYS 128 -16.867 -7.438 18.315 962 1HE LYS 128 2HE LYS 128 -17.351 -5.191 17.449 963 2HE LYS 128 1HE LYS 128 -18.419 -5.897 16.237 964 1HZ LYS 128 1HZ LYS 128 -20.032 -6.272 17.747 965 2HZ LYS 128 2HZ LYS 128 -19.272 -5.012 18.581 966 3HZ LYS 128 3HZ LYS 128 -18.954 -6.618 19.004 967 H SER 129 H SER 129 -13.601 -5.959 17.527 968 HA SER 129 HA SER 129 -12.201 -7.004 19.901 969 1HB SER 129 2HB SER 129 -11.648 -4.628 18.205 970 2HB SER 129 1HB SER 129 -11.458 -4.419 19.946 971 HG SER 129 HG SER 129 -9.517 -5.138 19.170 972 H GLU 130 H GLU 130 -14.133 -7.290 21.046 973 HA GLU 130 HA GLU 130 -15.294 -4.789 22.040 974 1HB GLU 130 2HB GLU 130 -16.649 -6.454 20.287 975 2HB GLU 130 1HB GLU 130 -17.261 -6.938 21.863 976 1HG GLU 130 2HG GLU 130 -17.358 -4.226 22.048 977 2HG GLU 130 1HG GLU 130 -17.708 -4.485 20.339 978 H ALA 131 H ALA 131 -15.494 -4.728 24.195 979 HA ALA 131 HA ALA 131 -15.882 -7.096 25.778 980 1HB ALA 131 1HB ALA 131 -13.686 -6.301 27.115 981 2HB ALA 131 2HB ALA 131 -13.194 -5.927 25.463 982 3HB ALA 131 3HB ALA 131 -13.678 -7.569 25.889 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 24.516 -4.598 24.664 2 2H GLY 1 2HT GLY 1 24.557 -3.096 23.889 3 3H GLY 1 3HT GLY 1 23.423 -4.260 23.418 4 1HA GLY 1 1HA GLY 1 22.653 -4.116 25.878 5 2HA GLY 1 2HA GLY 1 23.456 -2.555 25.811 6 H SER 2 H SER 2 22.808 -2.191 22.962 7 HA SER 2 HA SER 2 21.201 -1.207 21.689 8 1HB SER 2 2HB SER 2 19.226 -2.848 23.287 9 2HB SER 2 1HB SER 2 18.995 -2.179 21.672 10 HG SER 2 HG SER 2 20.841 -4.199 22.431 11 H HIS 3 H HIS 3 19.573 0.442 21.703 12 HA HIS 3 HA HIS 3 18.843 1.501 24.332 13 1HB HIS 3 2HB HIS 3 20.994 2.550 23.083 14 2HB HIS 3 1HB HIS 3 19.722 3.526 22.356 15 HD1 HIS 3 1HD HIS 3 17.918 4.282 24.524 16 HD2 HIS 3 2HD HIS 3 22.005 3.910 25.175 17 HE1 HIS 3 1HE HIS 3 18.398 5.651 26.579 18 HE2 HIS 3 2HE HIS 3 20.891 5.481 26.901 19 H MET 4 H MET 4 18.652 2.644 20.959 20 HA MET 4 HA MET 4 15.950 2.045 20.557 21 1HB MET 4 2HB MET 4 15.542 3.664 22.350 22 2HB MET 4 1HB MET 4 16.453 4.884 21.471 23 1HG MET 4 2HG MET 4 14.807 4.877 19.697 24 2HG MET 4 1HG MET 4 13.912 3.592 20.506 25 1HE MET 4 1HE MET 4 14.443 6.962 19.751 26 2HE MET 4 2HE MET 4 13.670 7.988 20.960 27 3HE MET 4 3HE MET 4 12.683 7.034 19.852 28 H ASP 5 H ASP 5 18.542 4.358 19.933 29 HA ASP 5 HA ASP 5 17.697 5.270 17.429 30 1HB ASP 5 2HB ASP 5 19.550 6.255 18.786 31 2HB ASP 5 1HB ASP 5 20.559 4.885 18.331 32 H LYS 6 H LYS 6 16.969 3.726 16.035 33 HA LYS 6 HA LYS 6 19.014 1.965 14.900 34 1HB LYS 6 2HB LYS 6 17.006 1.000 16.554 35 2HB LYS 6 1HB LYS 6 16.390 0.697 14.937 36 1HG LYS 6 2HG LYS 6 18.152 -0.717 14.393 37 2HG LYS 6 1HG LYS 6 19.177 -0.093 15.687 38 1HD LYS 6 2HD LYS 6 17.925 -1.217 17.351 39 2HD LYS 6 1HD LYS 6 16.616 -1.576 16.224 40 1HE LYS 6 2HE LYS 6 17.953 -3.563 16.650 41 2HE LYS 6 1HE LYS 6 18.106 -3.055 14.968 42 1HZ LYS 6 1HZ LYS 6 20.138 -1.758 16.238 43 2HZ LYS 6 2HZ LYS 6 20.287 -3.164 15.310 44 3HZ LYS 6 3HZ LYS 6 20.118 -3.274 16.988 45 H THR 7 H THR 7 17.603 0.710 12.969 46 HA THR 7 HA THR 7 15.759 2.289 11.543 47 HB THR 7 HB THR 7 17.916 2.508 9.738 48 HG1 THR 7 1HG THR 7 19.453 2.520 11.275 49 1HG2 THR 7 1HG2 THR 7 15.854 4.005 10.269 50 2HG2 THR 7 2HG2 THR 7 17.327 4.703 9.592 51 3HG2 THR 7 3HG2 THR 7 16.995 4.846 11.318 52 H PHE 8 H PHE 8 14.898 1.161 9.847 53 HA PHE 8 HA PHE 8 16.359 -1.138 8.803 54 1HB PHE 8 2HB PHE 8 14.164 -2.489 9.079 55 2HB PHE 8 1HB PHE 8 15.253 -2.326 10.449 56 HD1 PHE 8 1HD PHE 8 13.161 0.525 9.455 57 HD2 PHE 8 2HD PHE 8 13.472 -2.903 11.967 58 HE1 PHE 8 1HE PHE 8 11.309 1.365 10.834 59 HE2 PHE 8 2HE PHE 8 11.619 -2.062 13.347 60 HZ PHE 8 HZ PHE 8 10.536 0.071 12.783 61 H CYS 9 H CYS 9 15.801 -1.775 6.772 62 HA CYS 9 HA CYS 9 14.004 0.029 5.316 63 1HB CYS 9 2HB CYS 9 15.025 -1.022 3.287 64 2HB CYS 9 1HB CYS 9 16.202 -0.226 4.327 65 HG CYS 9 HG CYS 9 16.068 -3.184 4.916 66 H VAL 10 H VAL 10 11.975 -0.659 4.888 67 HA VAL 10 HA VAL 10 11.449 -3.553 5.041 68 HB VAL 10 HB VAL 10 10.214 -1.517 6.420 69 1HG1 VAL 10 1HG1 VAL 10 8.336 -2.369 4.219 70 2HG1 VAL 10 2HG1 VAL 10 9.029 -0.759 4.411 71 3HG1 VAL 10 3HG1 VAL 10 7.917 -1.390 5.623 72 1HG2 VAL 10 1HG2 VAL 10 8.579 -3.916 5.977 73 2HG2 VAL 10 2HG2 VAL 10 9.199 -3.222 7.474 74 3HG2 VAL 10 3HG2 VAL 10 10.250 -4.201 6.458 75 H VAL 11 H VAL 11 10.059 -4.521 3.533 76 HA VAL 11 HA VAL 11 9.451 -2.939 1.150 77 HB VAL 11 HB VAL 11 11.509 -4.022 0.640 78 1HG1 VAL 11 1HG1 VAL 11 11.719 -6.495 0.703 79 2HG1 VAL 11 2HG1 VAL 11 10.181 -6.553 1.564 80 3HG1 VAL 11 3HG1 VAL 11 11.567 -5.736 2.287 81 1HG2 VAL 11 1HG2 VAL 11 9.553 -4.031 -1.034 82 2HG2 VAL 11 2HG2 VAL 11 9.475 -5.763 -0.713 83 3HG2 VAL 11 3HG2 VAL 11 10.947 -5.054 -1.378 84 H VAL 12 H VAL 12 7.431 -3.166 0.539 85 HA VAL 12 HA VAL 12 5.811 -5.301 1.688 86 HB VAL 12 HB VAL 12 3.904 -3.982 0.672 87 1HG1 VAL 12 1HG1 VAL 12 5.487 -2.195 2.459 88 2HG1 VAL 12 2HG1 VAL 12 4.970 -3.775 3.047 89 3HG1 VAL 12 3HG1 VAL 12 3.771 -2.599 2.509 90 1HG2 VAL 12 1HG2 VAL 12 4.225 -2.108 -0.531 91 2HG2 VAL 12 2HG2 VAL 12 5.830 -2.778 -0.820 92 3HG2 VAL 12 3HG2 VAL 12 5.589 -1.587 0.456 93 H GLN 13 H GLN 13 5.926 -7.146 0.549 94 HA GLN 13 HA GLN 13 5.940 -7.057 -2.369 95 1HB GLN 13 2HB GLN 13 7.276 -8.663 -0.626 96 2HB GLN 13 1HB GLN 13 5.892 -9.678 -1.012 97 1HG GLN 13 2HG GLN 13 6.885 -8.585 -3.435 98 2HG GLN 13 1HG GLN 13 8.246 -9.238 -2.523 99 1HE2 GLN 13 1HE2 GLN 13 8.695 -11.122 -3.439 100 2HE2 GLN 13 2HE2 GLN 13 7.561 -12.388 -3.746 101 H ASN 14 H ASN 14 3.991 -6.830 -3.266 102 HA ASN 14 HA ASN 14 1.821 -8.564 -2.286 103 1HB ASN 14 2HB ASN 14 1.782 -5.877 -1.979 104 2HB ASN 14 1HB ASN 14 1.047 -6.019 -3.573 105 1HD2 ASN 14 1HD2 ASN 14 -1.029 -5.616 -3.180 106 2HD2 ASN 14 2HD2 ASN 14 -2.017 -6.492 -2.068 107 H ARG 15 H ARG 15 0.444 -9.437 -3.820 108 HA ARG 15 HA ARG 15 1.148 -8.980 -6.638 109 1HB ARG 15 2HB ARG 15 0.890 -11.613 -5.198 110 2HB ARG 15 1HB ARG 15 0.705 -11.490 -6.942 111 1HG ARG 15 2HG ARG 15 2.913 -11.106 -7.294 112 2HG ARG 15 1HG ARG 15 3.130 -10.284 -5.747 113 1HD ARG 15 2HD ARG 15 4.117 -12.169 -5.067 114 2HD ARG 15 1HD ARG 15 2.488 -12.842 -4.987 115 HE ARG 15 HE ARG 15 3.680 -13.064 -7.586 116 1HH1 ARG 15 1HH1 ARG 15 3.429 -14.543 -4.436 117 2HH1 ARG 15 2HH1 ARG 15 3.820 -16.129 -5.011 118 1HH2 ARG 15 1HH2 ARG 15 4.195 -15.148 -8.345 119 2HH2 ARG 15 2HH2 ARG 15 4.257 -16.472 -7.231 120 H ILE 16 H ILE 16 -0.951 -7.717 -5.431 121 HA ILE 16 HA ILE 16 -3.358 -9.250 -6.036 122 HB ILE 16 HB ILE 16 -2.882 -6.632 -4.629 123 1HG1 ILE 16 2HG1 ILE 16 -4.081 -7.777 -2.808 124 2HG1 ILE 16 1HG1 ILE 16 -4.283 -9.191 -3.837 125 1HG2 ILE 16 1HG2 ILE 16 -5.432 -7.638 -5.824 126 2HG2 ILE 16 2HG2 ILE 16 -4.775 -6.002 -5.799 127 3HG2 ILE 16 3HG2 ILE 16 -5.460 -6.698 -4.331 128 1HD1 ILE 16 1HD1 ILE 16 -2.195 -9.904 -3.472 129 2HD1 ILE 16 2HD1 ILE 16 -2.289 -8.861 -2.052 130 3HD1 ILE 16 3HD1 ILE 16 -1.518 -8.276 -3.526 131 H LYS 17 H LYS 17 -2.537 -5.823 -6.660 132 HA LYS 17 HA LYS 17 -2.893 -6.171 -9.498 133 1HB LYS 17 2HB LYS 17 -4.811 -4.335 -8.057 134 2HB LYS 17 1HB LYS 17 -4.788 -4.722 -9.771 135 1HG LYS 17 2HG LYS 17 -5.432 -7.007 -9.285 136 2HG LYS 17 1HG LYS 17 -5.401 -6.667 -7.559 137 1HD LYS 17 2HD LYS 17 -7.669 -6.556 -8.218 138 2HD LYS 17 1HD LYS 17 -7.132 -4.891 -7.991 139 1HE LYS 17 2HE LYS 17 -6.768 -5.941 -10.707 140 2HE LYS 17 1HE LYS 17 -8.448 -5.816 -10.186 141 1HZ LYS 17 1HZ LYS 17 -8.342 -3.563 -10.070 142 2HZ LYS 17 2HZ LYS 17 -7.196 -3.804 -11.289 143 3HZ LYS 17 3HZ LYS 17 -6.692 -3.527 -9.699 144 H GLU 18 H GLU 18 -3.156 -3.652 -10.390 145 HA GLU 18 HA GLU 18 -0.683 -2.423 -9.492 146 1HB GLU 18 2HB GLU 18 -2.499 -2.061 -11.848 147 2HB GLU 18 1HB GLU 18 -1.344 -0.800 -11.439 148 1HG GLU 18 2HG GLU 18 0.191 -1.904 -12.578 149 2HG GLU 18 1HG GLU 18 0.099 -3.196 -11.381 150 H GLY 19 H GLY 19 -4.124 -1.848 -9.396 151 1HA GLY 19 2HA GLY 19 -3.642 0.736 -8.058 152 2HA GLY 19 1HA GLY 19 -5.135 0.292 -8.871 153 H TYR 20 H TYR 20 -3.159 -1.463 -6.493 154 HA TYR 20 HA TYR 20 -5.567 -1.960 -4.932 155 1HB TYR 20 2HB TYR 20 -3.739 -3.718 -5.562 156 2HB TYR 20 1HB TYR 20 -2.855 -3.021 -4.206 157 HD1 TYR 20 1HD TYR 20 -6.518 -3.608 -4.531 158 HD2 TYR 20 2HD TYR 20 -2.895 -4.716 -2.594 159 HE1 TYR 20 1HE TYR 20 -7.790 -5.028 -2.979 160 HE2 TYR 20 2HE TYR 20 -4.158 -6.140 -1.037 161 HH TYR 20 HH TYR 20 -7.021 -7.274 -1.489 162 H ARG 21 H ARG 21 -3.755 0.595 -5.078 163 HA ARG 21 HA ARG 21 -3.217 2.291 -3.666 164 1HB ARG 21 2HB ARG 21 -4.965 0.809 -1.705 165 2HB ARG 21 1HB ARG 21 -4.540 2.515 -1.647 166 1HG ARG 21 2HG ARG 21 -6.345 1.101 -3.573 167 2HG ARG 21 1HG ARG 21 -6.730 2.419 -2.469 168 1HD ARG 21 2HD ARG 21 -5.055 3.800 -3.818 169 2HD ARG 21 1HD ARG 21 -5.146 2.511 -5.019 170 HE ARG 21 HE ARG 21 -7.734 3.119 -4.639 171 1HH1 ARG 21 1HH1 ARG 21 -4.942 5.113 -5.280 172 2HH1 ARG 21 2HH1 ARG 21 -5.848 6.330 -6.115 173 1HH2 ARG 21 1HH2 ARG 21 -8.925 4.717 -5.736 174 2HH2 ARG 21 2HH2 ARG 21 -8.109 6.106 -6.374 175 H ARG 22 H ARG 22 -2.410 2.752 -1.332 176 HA ARG 22 HA ARG 22 -1.199 0.770 0.200 177 1HB ARG 22 2HB ARG 22 0.198 0.551 -1.895 178 2HB ARG 22 1HB ARG 22 0.794 2.175 -1.581 179 1HG ARG 22 2HG ARG 22 1.020 0.370 0.706 180 2HG ARG 22 1HG ARG 22 1.949 -0.134 -0.707 181 1HD ARG 22 2HD ARG 22 2.071 2.579 0.605 182 2HD ARG 22 1HD ARG 22 3.264 1.294 0.791 183 HE ARG 22 HE ARG 22 2.792 2.090 -1.937 184 1HH1 ARG 22 1HH1 ARG 22 4.657 2.685 0.953 185 2HH1 ARG 22 2HH1 ARG 22 5.973 3.420 0.102 186 1HH2 ARG 22 1HH2 ARG 22 4.522 3.057 -3.057 187 2HH2 ARG 22 2HH2 ARG 22 5.896 3.633 -2.175 188 H ALA 23 H ALA 23 0.018 3.891 -1.006 189 HA ALA 23 HA ALA 23 -0.030 4.892 1.761 190 1HB ALA 23 1HB ALA 23 2.127 4.838 0.333 191 2HB ALA 23 2HB ALA 23 1.750 6.297 1.249 192 3HB ALA 23 3HB ALA 23 1.427 6.236 -0.485 193 H GLY 24 H GLY 24 -2.152 4.804 -0.528 194 1HA GLY 24 2HA GLY 24 -4.087 6.242 -0.434 195 2HA GLY 24 1HA GLY 24 -3.006 7.601 -0.152 196 H PHE 25 H PHE 25 -2.379 5.117 -2.513 197 HA PHE 25 HA PHE 25 -3.504 6.389 -4.765 198 1HB PHE 25 2HB PHE 25 -1.650 7.468 -5.755 199 2HB PHE 25 1HB PHE 25 -1.635 8.002 -4.079 200 HD1 PHE 25 1HD PHE 25 -0.460 5.325 -3.001 201 HD2 PHE 25 2HD PHE 25 0.645 7.953 -6.167 202 HE1 PHE 25 1HE PHE 25 1.877 4.589 -2.796 203 HE2 PHE 25 2HE PHE 25 2.983 7.216 -5.965 204 HZ PHE 25 HZ PHE 25 3.601 5.532 -4.278 205 H SER 26 H SER 26 -2.611 5.425 -6.840 206 HA SER 26 HA SER 26 -2.543 2.630 -6.647 207 1HB SER 26 2HB SER 26 -1.597 2.865 -9.081 208 2HB SER 26 1HB SER 26 -3.243 3.395 -8.732 209 HG SER 26 HG SER 26 -0.953 4.906 -9.264 210 H PHE 27 H PHE 27 -0.976 1.693 -5.459 211 HA PHE 27 HA PHE 27 1.756 2.606 -5.607 212 1HB PHE 27 2HB PHE 27 2.103 1.449 -3.680 213 2HB PHE 27 1HB PHE 27 0.350 1.562 -3.588 214 HD1 PHE 27 2HD PHE 27 -0.732 -0.456 -5.187 215 HD2 PHE 27 1HD PHE 27 2.889 -0.567 -2.957 216 HE1 PHE 27 2HE PHE 27 -0.873 -2.909 -5.087 217 HE2 PHE 27 1HE PHE 27 2.761 -3.018 -2.858 218 HZ PHE 27 HZ PHE 27 0.875 -4.192 -3.921 219 H HIS 28 H HIS 28 0.133 0.968 -7.805 220 HA HIS 28 HA HIS 28 0.685 -0.437 -9.502 221 1HB HIS 28 2HB HIS 28 3.427 0.191 -8.430 222 2HB HIS 28 1HB HIS 28 3.198 -0.907 -9.785 223 HD1 HIS 28 1HD HIS 28 1.174 0.512 -11.482 224 HD2 HIS 28 2HD HIS 28 4.258 2.508 -9.541 225 HE1 HIS 28 1HE HIS 28 1.488 2.661 -12.750 226 HE2 HIS 28 2HE HIS 28 3.408 3.820 -11.601 227 H LEU 29 H LEU 29 1.668 -2.623 -9.996 228 HA LEU 29 HA LEU 29 1.234 -4.357 -7.679 229 1HB LEU 29 2HB LEU 29 -0.072 -4.716 -9.771 230 2HB LEU 29 1HB LEU 29 1.425 -5.085 -10.602 231 HG LEU 29 HG LEU 29 0.029 -7.066 -9.892 232 1HD1 LEU 29 1HD1 LEU 29 1.879 -8.362 -9.781 233 2HD1 LEU 29 2HD1 LEU 29 2.648 -7.358 -8.550 234 3HD1 LEU 29 3HD1 LEU 29 2.660 -6.848 -10.239 235 1HD2 LEU 29 1HD2 LEU 29 -0.458 -7.498 -7.752 236 2HD2 LEU 29 2HD2 LEU 29 -0.085 -5.799 -7.472 237 3HD2 LEU 29 3HD2 LEU 29 1.148 -7.028 -7.193 238 H GLY 30 H GLY 30 3.045 -4.738 -6.577 239 1HA GLY 30 2HA GLY 30 5.063 -6.387 -7.415 240 2HA GLY 30 1HA GLY 30 5.636 -4.773 -7.808 241 H ASP 31 H ASP 31 7.346 -4.918 -6.333 242 HA ASP 31 HA ASP 31 6.524 -4.814 -3.505 243 1HB ASP 31 2HB ASP 31 8.919 -5.574 -3.045 244 2HB ASP 31 1HB ASP 31 7.824 -6.777 -3.718 245 H ASN 32 H ASN 32 7.095 -3.072 -2.342 246 HA ASN 32 HA ASN 32 8.870 -1.104 -3.639 247 1HB ASN 32 2HB ASN 32 6.638 -0.515 -1.684 248 2HB ASN 32 1HB ASN 32 7.590 0.658 -2.589 249 1HD2 ASN 32 1HD2 ASN 32 7.554 -0.840 -5.059 250 2HD2 ASN 32 2HD2 ASN 32 5.952 -0.712 -5.690 251 H SER 33 H SER 33 10.713 -0.669 -2.595 252 HA SER 33 HA SER 33 11.104 -1.748 0.066 253 1HB SER 33 2HB SER 33 13.061 -0.328 -1.749 254 2HB SER 33 1HB SER 33 13.457 -1.125 -0.223 255 HG SER 33 HG SER 33 13.072 -2.200 -2.700 256 H LEU 34 H LEU 34 11.675 -0.628 1.854 257 HA LEU 34 HA LEU 34 11.114 2.261 1.790 258 1HB LEU 34 2HB LEU 34 9.422 1.137 3.045 259 2HB LEU 34 1HB LEU 34 10.597 0.158 3.891 260 HG LEU 34 HG LEU 34 9.403 2.106 5.090 261 1HD1 LEU 34 1HD1 LEU 34 12.296 1.346 5.238 262 2HD1 LEU 34 2HD1 LEU 34 10.951 0.762 6.212 263 3HD1 LEU 34 3HD1 LEU 34 11.543 2.408 6.431 264 1HD2 LEU 34 1HD2 LEU 34 10.648 3.610 3.151 265 2HD2 LEU 34 2HD2 LEU 34 11.697 3.804 4.556 266 3HD2 LEU 34 3HD2 LEU 34 9.986 4.211 4.668 267 H ALA 35 H ALA 35 12.537 3.650 2.746 268 HA ALA 35 HA ALA 35 15.220 2.823 3.093 269 1HB ALA 35 1HB ALA 35 14.114 5.150 2.408 270 2HB ALA 35 2HB ALA 35 15.728 5.031 3.108 271 3HB ALA 35 3HB ALA 35 14.353 5.452 4.128 272 H ALA 36 H ALA 36 16.479 3.135 5.039 273 HA ALA 36 HA ALA 36 15.229 1.900 7.257 274 1HB ALA 36 1HB ALA 36 17.782 2.074 6.433 275 2HB ALA 36 2HB ALA 36 17.312 1.598 8.065 276 3HB ALA 36 3HB ALA 36 17.794 3.262 7.736 277 H VAL 37 H VAL 37 13.844 2.831 8.504 278 HA VAL 37 HA VAL 37 14.354 5.547 9.521 279 HB VAL 37 HB VAL 37 11.586 4.439 9.091 280 1HG1 VAL 37 1HG1 VAL 37 11.229 6.238 10.397 281 2HG1 VAL 37 2HG1 VAL 37 11.355 7.101 8.864 282 3HG1 VAL 37 3HG1 VAL 37 12.748 7.011 9.942 283 1HG2 VAL 37 1HG2 VAL 37 11.950 6.329 7.111 284 2HG2 VAL 37 2HG2 VAL 37 11.889 4.580 6.888 285 3HG2 VAL 37 3HG2 VAL 37 13.444 5.390 7.072 286 H SER 38 H SER 38 13.063 5.950 11.583 287 HA SER 38 HA SER 38 13.821 4.197 13.575 288 1HB SER 38 2HB SER 38 12.697 6.676 13.531 289 2HB SER 38 1HB SER 38 11.357 5.712 14.150 290 HG SER 38 HG SER 38 12.718 4.973 15.800 291 H GLU 39 H GLU 39 10.400 4.719 12.709 292 HA GLU 39 HA GLU 39 9.908 1.877 12.598 293 1HB GLU 39 2HB GLU 39 9.904 2.519 15.055 294 2HB GLU 39 1HB GLU 39 8.450 3.449 14.712 295 1HG GLU 39 2HG GLU 39 7.929 0.961 13.619 296 2HG GLU 39 1HG GLU 39 8.781 0.605 15.120 297 H SER 40 H SER 40 8.977 5.114 12.007 298 HA SER 40 HA SER 40 6.323 5.139 11.522 299 1HB SER 40 2HB SER 40 6.747 6.758 9.720 300 2HB SER 40 1HB SER 40 7.784 7.062 11.113 301 HG SER 40 HG SER 40 8.547 6.726 8.646 302 H GLN 41 H GLN 41 8.757 3.749 9.327 303 HA GLN 41 HA GLN 41 7.089 3.130 7.193 304 1HB GLN 41 2HB GLN 41 8.722 1.428 6.575 305 2HB GLN 41 1HB GLN 41 9.496 2.933 7.029 306 1HG GLN 41 2HG GLN 41 10.834 1.371 8.039 307 2HG GLN 41 1HG GLN 41 9.754 1.832 9.348 308 1HE2 GLN 41 1HE2 GLN 41 8.167 -0.086 7.046 309 2HE2 GLN 41 2HE2 GLN 41 8.291 -1.592 7.868 310 H LEU 42 H LEU 42 7.872 1.150 10.030 311 HA LEU 42 HA LEU 42 6.595 -1.180 9.363 312 1HB LEU 42 2HB LEU 42 7.919 -0.893 11.398 313 2HB LEU 42 1HB LEU 42 6.672 0.135 12.079 314 HG LEU 42 HG LEU 42 5.179 -2.027 11.665 315 1HD1 LEU 42 1HD1 LEU 42 6.241 -4.011 11.532 316 2HD1 LEU 42 2HD1 LEU 42 7.612 -3.467 12.498 317 3HD1 LEU 42 3HD1 LEU 42 7.511 -3.038 10.790 318 1HD2 LEU 42 1HD2 LEU 42 5.507 -0.908 13.804 319 2HD2 LEU 42 2HD2 LEU 42 7.081 -1.684 13.981 320 3HD2 LEU 42 3HD2 LEU 42 5.611 -2.660 13.987 321 H ALA 43 H ALA 43 5.099 1.523 11.134 322 HA ALA 43 HA ALA 43 2.493 0.362 10.977 323 1HB ALA 43 1HB ALA 43 2.714 3.255 11.466 324 2HB ALA 43 2HB ALA 43 3.592 2.208 12.583 325 3HB ALA 43 3HB ALA 43 1.853 2.008 12.368 326 H GLN 44 H GLN 44 4.352 2.531 8.983 327 HA GLN 44 HA GLN 44 2.303 3.769 7.547 328 1HB GLN 44 2HB GLN 44 5.122 3.604 7.386 329 2HB GLN 44 1HB GLN 44 4.504 3.172 5.799 330 1HG GLN 44 2HG GLN 44 3.337 5.241 5.610 331 2HG GLN 44 1HG GLN 44 3.688 5.654 7.288 332 1HE2 GLN 44 1HE2 GLN 44 4.762 7.531 6.859 333 2HE2 GLN 44 2HE2 GLN 44 6.294 7.593 6.063 334 H LEU 45 H LEU 45 4.090 0.778 6.791 335 HA LEU 45 HA LEU 45 2.353 0.175 4.578 336 1HB LEU 45 2HB LEU 45 4.498 -1.444 5.942 337 2HB LEU 45 1HB LEU 45 3.617 -1.976 4.523 338 1HD1 LEU 45 1HD2 LEU 45 5.069 0.758 2.360 339 2HD1 LEU 45 2HD2 LEU 45 3.692 1.090 3.410 340 3HD1 LEU 45 3HD2 LEU 45 3.727 -0.385 2.442 341 1HD2 LEU 45 1HD1 LEU 45 6.325 0.003 5.786 342 2HD2 LEU 45 2HD1 LEU 45 5.290 1.352 5.317 343 3HD2 LEU 45 3HD1 LEU 45 6.679 0.918 4.321 344 H LYS 46 H LYS 46 2.832 -1.069 7.857 345 HA LYS 46 HA LYS 46 0.933 -3.145 7.714 346 1HB LYS 46 2HB LYS 46 2.748 -2.613 9.518 347 2HB LYS 46 1HB LYS 46 1.467 -1.673 10.269 348 1HG LYS 46 2HG LYS 46 0.178 -4.008 9.799 349 2HG LYS 46 1HG LYS 46 1.823 -4.579 10.086 350 1HD LYS 46 2HD LYS 46 1.733 -4.086 12.274 351 2HD LYS 46 1HD LYS 46 0.931 -2.540 11.987 352 1HE LYS 46 2HE LYS 46 -0.427 -4.177 13.290 353 2HE LYS 46 1HE LYS 46 -1.203 -3.599 11.816 354 1HZ LYS 46 1HZ LYS 46 0.376 -6.042 11.607 355 2HZ LYS 46 2HZ LYS 46 -1.075 -5.622 10.845 356 3HZ LYS 46 3HZ LYS 46 -1.087 -6.151 12.451 357 H ALA 47 H ALA 47 0.531 0.248 7.874 358 HA ALA 47 HA ALA 47 -1.757 0.665 9.313 359 1HB ALA 47 1HB ALA 47 -1.768 2.695 8.362 360 2HB ALA 47 2HB ALA 47 -1.775 2.040 6.725 361 3HB ALA 47 3HB ALA 47 -0.259 2.172 7.616 362 H ASP 48 H ASP 48 -1.842 0.200 5.775 363 HA ASP 48 HA ASP 48 -4.612 -0.634 5.945 364 1HB ASP 48 2HB ASP 48 -2.725 -0.034 3.686 365 2HB ASP 48 1HB ASP 48 -4.246 -0.867 3.379 366 HA PRO 49 HA PRO 49 -3.478 -4.947 5.893 367 1HB PRO 49 2HB PRO 49 -5.925 -6.000 6.017 368 2HB PRO 49 1HB PRO 49 -5.256 -5.091 7.379 369 1HG PRO 49 2HG PRO 49 -7.233 -4.226 5.312 370 2HG PRO 49 1HG PRO 49 -7.208 -3.886 7.051 371 1HD PRO 49 2HD PRO 49 -6.316 -2.157 5.069 372 2HD PRO 49 1HD PRO 49 -5.860 -2.069 6.781 373 H ARG 50 H ARG 50 -3.242 -3.777 3.372 374 HA ARG 50 HA ARG 50 -4.710 -5.635 1.623 375 1HB ARG 50 2HB ARG 50 -3.737 -2.839 1.251 376 2HB ARG 50 1HB ARG 50 -3.792 -3.894 -0.153 377 1HG ARG 50 2HG ARG 50 -5.839 -2.812 -0.207 378 2HG ARG 50 1HG ARG 50 -6.218 -4.363 0.545 379 1HD ARG 50 2HD ARG 50 -5.687 -2.996 2.753 380 2HD ARG 50 1HD ARG 50 -6.147 -1.637 1.727 381 HE ARG 50 HE ARG 50 -8.042 -3.767 1.605 382 1HH1 ARG 50 1HH1 ARG 50 -7.012 -1.036 3.518 383 2HH1 ARG 50 2HH1 ARG 50 -8.566 -0.799 4.244 384 1HH2 ARG 50 1HH2 ARG 50 -10.087 -3.457 2.558 385 2HH2 ARG 50 2HH2 ARG 50 -10.312 -2.173 3.699 386 H LEU 51 H LEU 51 -1.545 -4.272 2.363 387 HA LEU 51 HA LEU 51 -0.323 -6.360 0.683 388 1HB LEU 51 2HB LEU 51 1.331 -4.087 1.622 389 2HB LEU 51 1HB LEU 51 1.386 -4.966 0.107 390 HG LEU 51 HG LEU 51 0.727 -2.780 -0.459 391 1HD1 LEU 51 1HD1 LEU 51 -1.243 -4.898 -0.638 392 2HD1 LEU 51 2HD1 LEU 51 -0.722 -3.728 -1.848 393 3HD1 LEU 51 3HD1 LEU 51 -1.974 -3.294 -0.685 394 1HD2 LEU 51 1HD2 LEU 51 -0.480 -1.370 0.811 395 2HD2 LEU 51 2HD2 LEU 51 -0.096 -2.513 2.097 396 3HD2 LEU 51 3HD2 LEU 51 -1.649 -2.609 1.267 397 H VAL 52 H VAL 52 2.142 -6.595 1.592 398 HA VAL 52 HA VAL 52 1.818 -7.319 4.432 399 HB VAL 52 HB VAL 52 3.138 -9.243 4.132 400 1HG1 VAL 52 1HG1 VAL 52 0.826 -9.318 3.151 401 2HG1 VAL 52 2HG1 VAL 52 1.950 -10.525 2.524 402 3HG1 VAL 52 3HG1 VAL 52 1.571 -9.090 1.569 403 1HG2 VAL 52 1HG2 VAL 52 4.125 -9.679 1.754 404 2HG2 VAL 52 2HG2 VAL 52 4.996 -8.652 2.892 405 3HG2 VAL 52 3HG2 VAL 52 4.037 -7.924 1.604 406 H VAL 53 H VAL 53 3.202 -6.446 5.854 407 HA VAL 53 HA VAL 53 5.615 -5.140 4.768 408 HB VAL 53 HB VAL 53 4.152 -3.456 5.585 409 1HG1 VAL 53 1HG1 VAL 53 4.035 -4.909 8.218 410 2HG1 VAL 53 2HG1 VAL 53 2.750 -4.893 7.011 411 3HG1 VAL 53 3HG1 VAL 53 3.226 -3.396 7.814 412 1HG2 VAL 53 1HG2 VAL 53 6.455 -3.024 6.082 413 2HG2 VAL 53 2HG2 VAL 53 6.360 -3.980 7.561 414 3HG2 VAL 53 3HG2 VAL 53 5.474 -2.460 7.437 415 H GLN 54 H GLN 54 7.397 -6.143 5.276 416 HA GLN 54 HA GLN 54 7.626 -7.420 7.925 417 1HB GLN 54 2HB GLN 54 7.362 -9.007 5.924 418 2HB GLN 54 1HB GLN 54 8.981 -8.500 5.463 419 1HG GLN 54 2HG GLN 54 9.728 -10.146 6.744 420 2HG GLN 54 1HG GLN 54 9.249 -9.161 8.126 421 1HE2 GLN 54 1HE2 GLN 54 6.967 -9.430 8.836 422 2HE2 GLN 54 2HE2 GLN 54 6.297 -11.022 8.793 423 H ILE 55 H ILE 55 9.186 -6.552 9.108 424 HA ILE 55 HA ILE 55 11.221 -4.881 7.866 425 HB ILE 55 HB ILE 55 11.887 -4.442 10.266 426 1HG1 ILE 55 2HG1 ILE 55 9.312 -5.313 11.317 427 2HG1 ILE 55 1HG1 ILE 55 10.290 -6.668 10.763 428 1HG2 ILE 55 1HG2 ILE 55 9.043 -3.825 9.478 429 2HG2 ILE 55 2HG2 ILE 55 10.473 -2.917 8.991 430 3HG2 ILE 55 3HG2 ILE 55 9.991 -2.960 10.687 431 1HD1 ILE 55 1HD1 ILE 55 10.968 -4.632 12.859 432 2HD1 ILE 55 2HD1 ILE 55 12.161 -5.730 12.164 433 3HD1 ILE 55 3HD1 ILE 55 10.776 -6.375 13.044 434 H THR 56 H THR 56 13.375 -5.293 7.816 435 HA THR 56 HA THR 56 14.278 -7.880 8.899 436 HB THR 56 HB THR 56 15.958 -7.771 6.941 437 HG1 THR 56 1HG THR 56 13.936 -6.097 5.878 438 1HG2 THR 56 1HG2 THR 56 14.542 -9.498 6.583 439 2HG2 THR 56 2HG2 THR 56 14.009 -8.437 5.278 440 3HG2 THR 56 3HG2 THR 56 13.099 -8.506 6.788 441 H GLU 57 H GLU 57 15.402 -7.338 10.660 442 HA GLU 57 HA GLU 57 17.779 -5.709 10.323 443 1HB GLU 57 2HB GLU 57 15.540 -4.458 11.273 444 2HB GLU 57 1HB GLU 57 16.310 -4.981 12.765 445 1HG GLU 57 2HG GLU 57 17.671 -3.378 10.612 446 2HG GLU 57 1HG GLU 57 16.933 -2.696 12.061 447 H THR 58 H THR 58 19.181 -7.280 10.874 448 HA THR 58 HA THR 58 18.821 -9.371 12.635 449 HB THR 58 HB THR 58 20.704 -9.459 11.216 450 HG1 THR 58 1HG THR 58 22.412 -9.760 12.678 451 1HG2 THR 58 1HG2 THR 58 21.546 -6.839 12.412 452 2HG2 THR 58 2HG2 THR 58 21.183 -7.203 10.724 453 3HG2 THR 58 3HG2 THR 58 22.629 -7.872 11.481 454 H GLY 59 H GLY 59 17.826 -8.830 14.552 455 1HA GLY 59 2HA GLY 59 19.555 -7.895 16.644 456 2HA GLY 59 1HA GLY 59 18.295 -6.735 16.249 457 H SER 60 H SER 60 18.055 -7.401 18.690 458 HA SER 60 HA SER 60 15.661 -8.977 18.822 459 1HB SER 60 2HB SER 60 18.217 -10.003 20.057 460 2HB SER 60 1HB SER 60 16.626 -10.502 20.631 461 HG SER 60 HG SER 60 16.234 -11.084 18.349 462 H GLN 61 H GLN 61 14.782 -9.036 21.076 463 HA GLN 61 HA GLN 61 15.848 -6.955 22.827 464 1HB GLN 61 2HB GLN 61 13.559 -5.976 23.080 465 2HB GLN 61 1HB GLN 61 14.284 -5.717 21.499 466 1HG GLN 61 2HG GLN 61 12.562 -8.100 21.820 467 2HG GLN 61 1HG GLN 61 11.774 -6.524 21.821 468 1HE2 GLN 61 1HE2 GLN 61 12.751 -9.020 19.918 469 2HE2 GLN 61 2HE2 GLN 61 12.818 -8.212 18.394 470 H GLU 62 H GLU 62 16.190 -9.454 23.508 471 HA GLU 62 HA GLU 62 15.853 -10.980 25.158 472 1HB GLU 62 2HB GLU 62 14.402 -8.587 26.128 473 2HB GLU 62 1HB GLU 62 13.983 -10.109 26.900 474 1HG GLU 62 2HG GLU 62 15.725 -8.904 28.114 475 2HG GLU 62 1HG GLU 62 16.288 -10.468 27.526 476 H GLY 63 H GLY 63 14.753 -12.844 25.141 477 1HA GLY 63 2HA GLY 63 12.084 -12.820 23.893 478 2HA GLY 63 1HA GLY 63 13.190 -14.185 23.890 479 H GLY 64 H GLY 64 11.199 -12.175 26.031 480 1HA GLY 64 2HA GLY 64 11.323 -13.975 28.234 481 2HA GLY 64 1HA GLY 64 10.177 -12.657 28.035 482 H GLU 65 H GLU 65 8.168 -13.377 28.182 483 HA GLU 65 HA GLU 65 7.544 -16.057 27.155 484 1HB GLU 65 2HB GLU 65 5.836 -14.350 28.965 485 2HB GLU 65 1HB GLU 65 5.636 -16.060 28.608 486 1HG GLU 65 2HG GLU 65 8.000 -14.889 30.053 487 2HG GLU 65 1HG GLU 65 6.593 -15.598 30.843 488 H GLY 66 H GLY 66 5.756 -12.986 27.509 489 1HA GLY 66 2HA GLY 66 4.897 -11.733 25.669 490 2HA GLY 66 1HA GLY 66 4.994 -13.180 24.677 491 H LEU 67 H LEU 67 2.780 -12.511 24.090 492 HA LEU 67 HA LEU 67 0.820 -13.428 26.092 493 1HB LEU 67 2HB LEU 67 0.758 -10.987 25.318 494 2HB LEU 67 1HB LEU 67 0.193 -11.611 23.780 495 HG LEU 67 HG LEU 67 -1.752 -12.622 24.922 496 1HD1 LEU 67 1HD1 LEU 67 -0.315 -11.602 27.300 497 2HD1 LEU 67 2HD1 LEU 67 -1.312 -13.044 27.105 498 3HD1 LEU 67 3HD1 LEU 67 -2.073 -11.464 27.298 499 1HD2 LEU 67 1HD2 LEU 67 -2.221 -10.555 23.949 500 2HD2 LEU 67 2HD2 LEU 67 -1.252 -9.674 25.130 501 3HD2 LEU 67 3HD2 LEU 67 -2.796 -10.380 25.607 502 H SER 68 H SER 68 1.022 -13.021 22.551 503 HA SER 68 HA SER 68 0.425 -14.378 20.828 504 1HB SER 68 2HB SER 68 2.028 -15.899 22.281 505 2HB SER 68 1HB SER 68 0.544 -16.804 22.575 506 HG SER 68 HG SER 68 0.327 -16.761 20.191 507 H LYS 69 H LYS 69 -1.708 -13.235 21.481 508 HA LYS 69 HA LYS 69 -3.754 -15.324 21.644 509 1HB LYS 69 2HB LYS 69 -3.320 -13.138 23.565 510 2HB LYS 69 1HB LYS 69 -4.976 -13.280 22.991 511 1HG LYS 69 2HG LYS 69 -5.170 -14.728 24.690 512 2HG LYS 69 1HG LYS 69 -4.441 -15.862 23.550 513 1HD LYS 69 2HD LYS 69 -2.277 -14.549 24.695 514 2HD LYS 69 1HD LYS 69 -3.395 -14.798 26.037 515 1HE LYS 69 2HE LYS 69 -2.489 -16.955 24.134 516 2HE LYS 69 1HE LYS 69 -1.783 -16.661 25.723 517 1HZ LYS 69 1HZ LYS 69 -4.164 -16.951 26.564 518 2HZ LYS 69 2HZ LYS 69 -3.322 -18.339 26.088 519 3HZ LYS 69 3HZ LYS 69 -4.481 -17.660 25.062 520 H GLU 70 H GLU 70 -5.628 -14.905 20.493 521 HA GLU 70 HA GLU 70 -5.914 -12.334 19.153 522 1HB GLU 70 2HB GLU 70 -5.701 -14.946 17.644 523 2HB GLU 70 1HB GLU 70 -6.156 -13.402 16.937 524 1HG GLU 70 2HG GLU 70 -3.877 -12.598 17.888 525 2HG GLU 70 1HG GLU 70 -3.499 -14.320 17.929 526 HA PRO 71 HA PRO 71 -9.957 -13.803 20.803 527 1HB PRO 71 2HB PRO 71 -10.512 -10.988 19.984 528 2HB PRO 71 1HB PRO 71 -10.973 -11.841 21.461 529 1HG PRO 71 2HG PRO 71 -8.981 -10.077 21.483 530 2HG PRO 71 1HG PRO 71 -8.879 -11.576 22.424 531 1HD PRO 71 2HD PRO 71 -7.534 -10.850 19.863 532 2HD PRO 71 1HD PRO 71 -6.940 -11.841 21.210 533 H ALA 72 H ALA 72 -11.078 -15.030 19.430 534 HA ALA 72 HA ALA 72 -11.681 -13.966 16.750 535 1HB ALA 72 1HB ALA 72 -10.986 -16.665 17.731 536 2HB ALA 72 2HB ALA 72 -10.606 -15.880 16.198 537 3HB ALA 72 3HB ALA 72 -12.206 -16.575 16.461 538 H GLY 73 H GLY 73 -13.737 -13.564 16.236 539 1HA GLY 73 2HA GLY 73 -15.854 -14.833 17.853 540 2HA GLY 73 1HA GLY 73 -15.876 -13.105 17.536 541 H SER 74 H SER 74 -16.030 -12.423 15.271 542 HA SER 74 HA SER 74 -16.896 -14.355 13.319 543 1HB SER 74 2HB SER 74 -18.852 -13.209 15.007 544 2HB SER 74 1HB SER 74 -19.020 -12.416 13.441 545 HG SER 74 HG SER 74 -19.215 -15.160 14.068 546 H ASP 75 H ASP 75 -17.089 -13.475 11.210 547 HA ASP 75 HA ASP 75 -15.768 -10.864 10.937 548 1HB ASP 75 2HB ASP 75 -14.703 -12.947 9.940 549 2HB ASP 75 1HB ASP 75 -16.038 -12.971 8.792 550 H GLU 76 H GLU 76 -18.485 -12.798 9.782 551 HA GLU 76 HA GLU 76 -19.639 -10.351 8.612 552 1HB GLU 76 2HB GLU 76 -19.164 -12.839 7.398 553 2HB GLU 76 1HB GLU 76 -20.899 -12.776 7.670 554 1HG GLU 76 2HG GLU 76 -21.152 -11.449 5.924 555 2HG GLU 76 1HG GLU 76 -20.057 -10.264 6.635 556 H GLN 77 H GLN 77 -21.884 -10.000 8.877 557 HA GLN 77 HA GLN 77 -23.130 -11.577 11.029 558 1HB GLN 77 2HB GLN 77 -24.252 -9.373 11.690 559 2HB GLN 77 1HB GLN 77 -22.559 -9.579 12.115 560 1HG GLN 77 2HG GLN 77 -22.750 -8.378 9.528 561 2HG GLN 77 1HG GLN 77 -23.748 -7.483 10.672 562 1HE2 GLN 77 1HE2 GLN 77 -20.524 -8.917 10.354 563 2HE2 GLN 77 2HE2 GLN 77 -19.696 -7.676 11.225 564 H LYS 78 H LYS 78 -23.640 -9.515 8.206 565 HA LYS 78 HA LYS 78 -26.454 -9.922 8.084 566 1HB LYS 78 2HB LYS 78 -24.384 -8.749 6.289 567 2HB LYS 78 1HB LYS 78 -25.932 -9.195 5.582 568 1HG LYS 78 2HG LYS 78 -26.699 -7.819 7.814 569 2HG LYS 78 1HG LYS 78 -25.236 -6.962 7.327 570 1HD LYS 78 2HD LYS 78 -26.190 -6.139 5.456 571 2HD LYS 78 1HD LYS 78 -27.084 -7.625 5.137 572 1HE LYS 78 2HE LYS 78 -27.957 -6.096 7.497 573 2HE LYS 78 1HE LYS 78 -28.222 -5.308 5.942 574 1HZ LYS 78 1HZ LYS 78 -29.140 -8.044 6.644 575 2HZ LYS 78 2HZ LYS 78 -29.443 -7.234 5.191 576 3HZ LYS 78 3HZ LYS 78 -30.117 -6.664 6.633 577 H GLN 79 H GLN 79 -23.756 -11.831 7.173 578 HA GLN 79 HA GLN 79 -23.558 -13.860 6.171 579 1HB GLN 79 2HB GLN 79 -26.500 -13.857 6.805 580 2HB GLN 79 1HB GLN 79 -25.736 -15.214 5.991 581 1HG GLN 79 2HG GLN 79 -24.252 -15.549 7.870 582 2HG GLN 79 1HG GLN 79 -24.923 -14.133 8.679 583 1HE2 GLN 79 1HE2 GLN 79 -24.851 -16.683 9.816 584 2HE2 GLN 79 2HE2 GLN 79 -26.473 -17.242 10.014 585 H LEU 80 H LEU 80 -22.917 -12.768 4.227 586 HA LEU 80 HA LEU 80 -24.953 -12.477 2.156 587 1HB LEU 80 2HB LEU 80 -22.141 -11.559 2.506 588 2HB LEU 80 1HB LEU 80 -22.751 -11.748 0.873 589 HG LEU 80 HG LEU 80 -22.941 -9.433 1.724 590 1HD1 LEU 80 1HD1 LEU 80 -25.113 -9.030 0.884 591 2HD1 LEU 80 2HD1 LEU 80 -25.664 -10.645 1.333 592 3HD1 LEU 80 3HD1 LEU 80 -24.503 -10.443 0.021 593 1HD2 LEU 80 1HD2 LEU 80 -25.221 -10.134 3.459 594 2HD2 LEU 80 2HD2 LEU 80 -24.015 -8.858 3.625 595 3HD2 LEU 80 3HD2 LEU 80 -23.618 -10.512 4.090 596 H ARG 81 H ARG 81 -22.131 -14.412 2.951 597 HA ARG 81 HA ARG 81 -22.970 -16.403 1.007 598 1HB ARG 81 2HB ARG 81 -20.588 -14.710 0.693 599 2HB ARG 81 1HB ARG 81 -20.268 -16.432 0.547 600 1HG ARG 81 2HG ARG 81 -20.979 -16.360 -1.543 601 2HG ARG 81 1HG ARG 81 -22.586 -15.919 -0.963 602 1HD ARG 81 2HD ARG 81 -20.706 -13.685 -0.989 603 2HD ARG 81 1HD ARG 81 -20.981 -14.385 -2.583 604 HE ARG 81 HE ARG 81 -23.398 -13.881 -1.113 605 1HH1 ARG 81 1HH1 ARG 81 -21.011 -12.502 -3.254 606 2HH1 ARG 81 2HH1 ARG 81 -22.081 -11.287 -3.867 607 1HH2 ARG 81 1HH2 ARG 81 -24.806 -12.283 -1.918 608 2HH2 ARG 81 2HH2 ARG 81 -24.235 -11.161 -3.107 609 H ALA 82 H ALA 82 -21.872 -18.472 1.302 610 HA ALA 82 HA ALA 82 -21.155 -18.864 4.116 611 1HB ALA 82 1HB ALA 82 -21.518 -21.216 2.377 612 2HB ALA 82 2HB ALA 82 -22.943 -20.204 2.614 613 3HB ALA 82 3HB ALA 82 -22.116 -20.903 4.006 614 H ASP 83 H ASP 83 -19.296 -19.956 4.751 615 HA ASP 83 HA ASP 83 -16.989 -19.516 3.208 616 1HB ASP 83 2HB ASP 83 -17.234 -21.472 5.496 617 2HB ASP 83 1HB ASP 83 -15.783 -20.635 4.954 618 HA PRO 84 HA PRO 84 -17.097 -23.120 0.608 619 1HB PRO 84 2HB PRO 84 -14.623 -22.958 -0.440 620 2HB PRO 84 1HB PRO 84 -15.901 -21.817 -0.878 621 1HG PRO 84 2HG PRO 84 -13.643 -21.481 1.058 622 2HG PRO 84 1HG PRO 84 -14.266 -20.335 -0.142 623 1HD PRO 84 2HD PRO 84 -14.906 -20.230 2.509 624 2HD PRO 84 1HD PRO 84 -15.979 -19.648 1.222 625 HA PRO 85 HA PRO 85 -15.177 -26.308 3.027 626 1HB PRO 85 2HB PRO 85 -15.326 -28.370 1.294 627 2HB PRO 85 1HB PRO 85 -16.757 -27.704 2.090 628 1HG PRO 85 2HG PRO 85 -15.724 -27.207 -0.677 629 2HG PRO 85 1HG PRO 85 -17.391 -27.488 -0.138 630 1HD PRO 85 2HD PRO 85 -16.392 -25.009 -0.665 631 2HD PRO 85 1HD PRO 85 -17.675 -25.307 0.524 632 H SER 86 H SER 86 -13.607 -28.344 2.309 633 HA SER 86 HA SER 86 -11.468 -28.950 1.842 634 1HB SER 86 2HB SER 86 -10.641 -28.489 -0.284 635 2HB SER 86 1HB SER 86 -12.371 -28.230 -0.506 636 HG SER 86 HG SER 86 -12.054 -26.057 -0.471 637 H THR 87 H THR 87 -9.875 -28.492 3.190 638 HA THR 87 HA THR 87 -8.963 -25.700 3.405 639 HB THR 87 HB THR 87 -8.364 -26.593 5.861 640 HG1 THR 87 1HG THR 87 -9.992 -27.918 6.618 641 1HG2 THR 87 1HG2 THR 87 -11.038 -25.513 5.012 642 2HG2 THR 87 2HG2 THR 87 -9.632 -24.595 5.554 643 3HG2 THR 87 3HG2 THR 87 -10.495 -25.637 6.685 644 H ASP 88 H ASP 88 -6.784 -25.868 4.885 645 HA ASP 88 HA ASP 88 -5.121 -28.109 4.184 646 1HB ASP 88 2HB ASP 88 -4.946 -25.520 2.707 647 2HB ASP 88 1HB ASP 88 -3.450 -26.368 3.086 648 H LEU 89 H LEU 89 -5.039 -24.689 5.172 649 HA LEU 89 HA LEU 89 -2.915 -25.303 7.085 650 1HB LEU 89 2HB LEU 89 -4.131 -22.667 6.257 651 2HB LEU 89 1HB LEU 89 -2.808 -22.849 7.392 652 HG LEU 89 HG LEU 89 -1.871 -22.203 5.300 653 1HD1 LEU 89 1HD1 LEU 89 -1.312 -25.101 5.117 654 2HD1 LEU 89 2HD1 LEU 89 -0.997 -24.320 6.667 655 3HD1 LEU 89 3HD1 LEU 89 -0.205 -23.731 5.206 656 1HD2 LEU 89 1HD2 LEU 89 -3.093 -24.589 3.954 657 2HD2 LEU 89 2HD2 LEU 89 -2.345 -23.169 3.225 658 3HD2 LEU 89 3HD2 LEU 89 -3.919 -23.031 4.008 659 H ASN 90 H ASN 90 -6.303 -24.600 6.944 660 HA ASN 90 HA ASN 90 -6.876 -23.554 9.412 661 1HB ASN 90 2HB ASN 90 -8.315 -24.936 7.360 662 2HB ASN 90 1HB ASN 90 -8.837 -25.549 8.926 663 1HD2 ASN 90 1HD2 ASN 90 -10.877 -24.567 8.350 664 2HD2 ASN 90 2HD2 ASN 90 -11.123 -22.884 8.649 665 H THR 91 H THR 91 -6.389 -26.998 8.630 666 HA THR 91 HA THR 91 -6.943 -27.998 11.190 667 HB THR 91 HB THR 91 -4.997 -29.681 10.041 668 HG1 THR 91 1HG THR 91 -6.807 -28.826 8.047 669 1HG2 THR 91 1HG2 THR 91 -7.380 -30.660 9.122 670 2HG2 THR 91 2HG2 THR 91 -7.861 -29.719 10.534 671 3HG2 THR 91 3HG2 THR 91 -6.659 -31.000 10.694 672 H PHE 92 H PHE 92 -4.264 -26.133 10.179 673 HA PHE 92 HA PHE 92 -2.624 -27.117 12.408 674 1HB PHE 92 2HB PHE 92 -1.805 -25.348 10.098 675 2HB PHE 92 1HB PHE 92 -0.746 -26.036 11.320 676 HD1 PHE 92 2HD PHE 92 -3.167 -27.048 8.684 677 HD2 PHE 92 1HD PHE 92 0.326 -28.036 10.907 678 HE1 PHE 92 2HE PHE 92 -2.839 -29.040 7.276 679 HE2 PHE 92 1HE PHE 92 0.660 -30.029 9.502 680 HZ PHE 92 HZ PHE 92 -0.923 -30.533 7.685 681 H THR 93 H THR 93 -1.869 -25.720 13.980 682 HA THR 93 HA THR 93 -3.364 -23.218 14.180 683 HB THR 93 HB THR 93 -3.770 -24.421 16.116 684 HG1 THR 93 1HG THR 93 -2.828 -22.313 16.559 685 1HG2 THR 93 1HG2 THR 93 -1.019 -25.450 15.806 686 2HG2 THR 93 2HG2 THR 93 -2.507 -26.285 16.258 687 3HG2 THR 93 3HG2 THR 93 -1.652 -25.301 17.446 688 H VAL 94 H VAL 94 -0.525 -23.452 16.130 689 HA VAL 94 HA VAL 94 1.066 -21.891 14.253 690 HB VAL 94 HB VAL 94 1.609 -20.268 16.164 691 1HG1 VAL 94 1HG1 VAL 94 0.322 -19.764 14.078 692 2HG1 VAL 94 2HG1 VAL 94 -0.083 -18.749 15.461 693 3HG1 VAL 94 3HG1 VAL 94 -1.156 -20.067 14.991 694 1HG2 VAL 94 1HG2 VAL 94 -0.534 -19.905 17.583 695 2HG2 VAL 94 2HG2 VAL 94 0.624 -21.140 18.070 696 3HG2 VAL 94 3HG2 VAL 94 -0.852 -21.600 17.223 697 H GLU 95 H GLU 95 0.832 -23.505 17.384 698 HA GLU 95 HA GLU 95 3.691 -23.619 17.717 699 1HB GLU 95 2HB GLU 95 3.194 -24.891 19.748 700 2HB GLU 95 1HB GLU 95 2.237 -23.417 19.673 701 1HG GLU 95 2HG GLU 95 0.305 -24.694 18.925 702 2HG GLU 95 1HG GLU 95 1.260 -26.175 18.966 703 H GLN 96 H GLN 96 1.271 -25.557 16.229 704 HA GLN 96 HA GLN 96 2.606 -28.064 16.421 705 1HB GLN 96 2HB GLN 96 0.192 -27.011 15.204 706 2HB GLN 96 1HB GLN 96 1.031 -28.086 14.092 707 1HG GLN 96 2HG GLN 96 -0.058 -29.722 15.131 708 2HG GLN 96 1HG GLN 96 1.120 -29.501 16.424 709 1HE2 GLN 96 1HE2 GLN 96 0.479 -28.667 18.345 710 2HE2 GLN 96 2HE2 GLN 96 -1.160 -28.277 18.730 711 H LEU 97 H LEU 97 2.282 -25.681 13.850 712 HA LEU 97 HA LEU 97 3.892 -26.823 11.919 713 1HB LEU 97 2HB LEU 97 4.484 -24.141 11.686 714 2HB LEU 97 1HB LEU 97 3.153 -24.975 10.923 715 HG LEU 97 HG LEU 97 2.542 -24.067 13.637 716 1HD1 LEU 97 1HD1 LEU 97 3.685 -22.120 13.362 717 2HD1 LEU 97 2HD1 LEU 97 2.187 -21.691 12.534 718 3HD1 LEU 97 3HD1 LEU 97 3.595 -22.197 11.604 719 1HD2 LEU 97 1HD2 LEU 97 0.629 -23.047 12.202 720 2HD2 LEU 97 2HD2 LEU 97 0.712 -24.792 12.448 721 3HD2 LEU 97 3HD2 LEU 97 1.285 -24.086 10.937 722 H LYS 98 H LYS 98 4.863 -24.393 14.297 723 HA LYS 98 HA LYS 98 7.579 -24.354 13.771 724 1HB LYS 98 2HB LYS 98 5.846 -23.184 15.590 725 2HB LYS 98 1HB LYS 98 6.973 -24.072 16.609 726 1HG LYS 98 2HG LYS 98 8.759 -22.779 15.993 727 2HG LYS 98 1HG LYS 98 8.054 -22.362 14.430 728 1HD LYS 98 2HD LYS 98 7.212 -21.310 17.130 729 2HD LYS 98 1HD LYS 98 8.057 -20.415 15.865 730 1HE LYS 98 2HE LYS 98 5.987 -21.085 14.418 731 2HE LYS 98 1HE LYS 98 5.209 -21.317 15.976 732 1HZ LYS 98 1HZ LYS 98 4.746 -19.143 15.714 733 2HZ LYS 98 2HZ LYS 98 6.045 -18.859 14.670 734 3HZ LYS 98 3HZ LYS 98 6.303 -18.928 16.340 735 H ALA 99 H ALA 99 5.742 -26.597 15.808 736 HA ALA 99 HA ALA 99 8.158 -27.882 16.737 737 1HB ALA 99 1HB ALA 99 5.763 -27.595 17.897 738 2HB ALA 99 2HB ALA 99 6.887 -28.891 18.310 739 3HB ALA 99 3HB ALA 99 5.561 -29.198 17.189 740 H GLN 100 H GLN 100 5.962 -28.253 14.178 741 HA GLN 100 HA GLN 100 6.669 -31.016 13.670 742 1HB GLN 100 2HB GLN 100 4.387 -29.729 13.194 743 2HB GLN 100 1HB GLN 100 5.177 -29.415 11.655 744 1HG GLN 100 2HG GLN 100 4.169 -31.352 11.103 745 2HG GLN 100 1HG GLN 100 5.627 -32.036 11.822 746 1HE2 GLN 100 1HE2 GLN 100 5.481 -32.543 14.161 747 2HE2 GLN 100 2HE2 GLN 100 3.990 -33.179 14.756 748 H LEU 101 H LEU 101 7.316 -27.834 12.292 749 HA LEU 101 HA LEU 101 8.651 -28.669 9.977 750 1HB LEU 101 2HB LEU 101 8.582 -26.197 11.615 751 2HB LEU 101 1HB LEU 101 9.981 -26.385 10.583 752 HG LEU 101 HG LEU 101 7.168 -25.793 9.882 753 1HD1 LEU 101 1HD1 LEU 101 8.111 -24.223 8.471 754 2HD1 LEU 101 2HD1 LEU 101 9.635 -25.102 8.348 755 3HD1 LEU 101 3HD1 LEU 101 9.221 -24.258 9.841 756 1HD2 LEU 101 1HD2 LEU 101 8.930 -27.324 7.969 757 2HD2 LEU 101 2HD2 LEU 101 7.326 -26.666 7.634 758 3HD2 LEU 101 3HD2 LEU 101 7.514 -27.990 8.781 759 H THR 102 H THR 102 9.872 -27.912 13.208 760 HA THR 102 HA THR 102 12.584 -28.443 12.646 761 HB THR 102 HB THR 102 12.286 -29.011 15.334 762 HG1 THR 102 1HG THR 102 10.319 -28.426 15.781 763 1HG2 THR 102 1HG2 THR 102 13.880 -27.454 14.919 764 2HG2 THR 102 2HG2 THR 102 12.592 -26.411 15.525 765 3HG2 THR 102 3HG2 THR 102 12.869 -26.553 13.789 766 H GLU 103 H GLU 103 9.941 -30.456 13.818 767 HA GLU 103 HA GLU 103 11.623 -32.744 14.168 768 1HB GLU 103 2HB GLU 103 9.119 -32.038 15.075 769 2HB GLU 103 1HB GLU 103 8.767 -33.295 13.898 770 1HG GLU 103 2HG GLU 103 10.915 -34.254 15.413 771 2HG GLU 103 1HG GLU 103 9.794 -33.528 16.564 772 H ARG 104 H ARG 104 10.438 -31.242 11.489 773 HA ARG 104 HA ARG 104 10.162 -33.707 9.930 774 1HB ARG 104 2HB ARG 104 9.133 -30.963 9.680 775 2HB ARG 104 1HB ARG 104 9.679 -31.671 8.167 776 1HG ARG 104 2HG ARG 104 8.232 -33.693 8.849 777 2HG ARG 104 1HG ARG 104 7.476 -32.566 9.978 778 1HD ARG 104 2HD ARG 104 6.648 -31.218 8.271 779 2HD ARG 104 1HD ARG 104 7.793 -31.848 7.089 780 HE ARG 104 HE ARG 104 6.349 -33.575 6.653 781 1HH1 ARG 104 1HH1 ARG 104 5.356 -31.968 9.587 782 2HH1 ARG 104 2HH1 ARG 104 3.856 -32.828 9.697 783 1HH2 ARG 104 1HH2 ARG 104 4.378 -34.705 6.795 784 2HH2 ARG 104 2HH2 ARG 104 3.301 -34.383 8.113 785 H GLY 105 H GLY 105 12.421 -31.258 10.640 786 1HA GLY 105 2HA GLY 105 14.687 -31.387 9.974 787 2HA GLY 105 1HA GLY 105 14.194 -32.307 8.561 788 H ILE 106 H ILE 106 12.579 -29.360 9.496 789 HA ILE 106 HA ILE 106 13.843 -27.989 7.212 790 HB ILE 106 HB ILE 106 11.000 -27.589 8.143 791 1HG1 ILE 106 2HG1 ILE 106 11.637 -28.844 5.518 792 2HG1 ILE 106 1HG1 ILE 106 11.788 -29.849 6.956 793 1HG2 ILE 106 1HG2 ILE 106 11.592 -25.625 7.090 794 2HG2 ILE 106 2HG2 ILE 106 10.933 -26.563 5.751 795 3HG2 ILE 106 3HG2 ILE 106 12.679 -26.433 5.960 796 1HD1 ILE 106 1HD1 ILE 106 9.478 -29.435 7.524 797 2HD1 ILE 106 2HD1 ILE 106 9.599 -30.057 5.878 798 3HD1 ILE 106 3HD1 ILE 106 9.313 -28.339 6.153 799 H THR 107 H THR 107 15.365 -26.952 8.549 800 HA THR 107 HA THR 107 14.810 -25.573 10.911 801 HB THR 107 HB THR 107 16.916 -24.344 10.465 802 HG1 THR 107 1HG THR 107 16.749 -24.098 8.234 803 1HG2 THR 107 1HG2 THR 107 16.770 -27.288 10.211 804 2HG2 THR 107 2HG2 THR 107 17.559 -26.287 11.431 805 3HG2 THR 107 3HG2 THR 107 18.309 -26.506 9.849 806 H PHE 108 H PHE 108 14.195 -23.507 11.387 807 HA PHE 108 HA PHE 108 13.634 -21.676 9.170 808 1HB PHE 108 2HB PHE 108 11.420 -21.134 10.135 809 2HB PHE 108 1HB PHE 108 11.522 -22.803 9.584 810 HD1 PHE 108 1HD PHE 108 12.074 -24.579 11.367 811 HD2 PHE 108 2HD PHE 108 10.694 -20.659 12.279 812 HE1 PHE 108 1HE PHE 108 11.342 -25.355 13.585 813 HE2 PHE 108 2HE PHE 108 9.963 -21.427 14.498 814 HZ PHE 108 HZ PHE 108 10.287 -23.779 15.153 815 H LYS 109 H LYS 109 15.633 -20.765 10.119 816 HA LYS 109 HA LYS 109 15.473 -19.572 12.733 817 1HB LYS 109 2HB LYS 109 17.540 -20.289 11.037 818 2HB LYS 109 1HB LYS 109 17.562 -18.533 10.975 819 1HG LYS 109 2HG LYS 109 18.402 -18.362 13.032 820 2HG LYS 109 1HG LYS 109 17.292 -19.570 13.681 821 1HD LYS 109 2HD LYS 109 18.705 -21.347 13.089 822 2HD LYS 109 1HD LYS 109 19.647 -20.342 11.985 823 1HE LYS 109 2HE LYS 109 19.548 -19.817 14.942 824 2HE LYS 109 1HE LYS 109 20.711 -20.933 14.226 825 1HZ LYS 109 1HZ LYS 109 21.249 -18.390 14.571 826 2HZ LYS 109 2HZ LYS 109 20.508 -18.264 13.055 827 3HZ LYS 109 3HZ LYS 109 21.863 -19.257 13.254 828 H GLN 110 H GLN 110 16.213 -18.019 9.613 829 HA GLN 110 HA GLN 110 14.438 -15.803 10.407 830 1HB GLN 110 2HB GLN 110 16.955 -15.346 10.471 831 2HB GLN 110 1HB GLN 110 16.911 -15.468 8.718 832 1HG GLN 110 2HG GLN 110 15.392 -13.610 8.576 833 2HG GLN 110 1HG GLN 110 15.266 -13.535 10.333 834 1HE2 GLN 110 1HE2 GLN 110 16.202 -11.585 8.278 835 2HE2 GLN 110 2HE2 GLN 110 17.769 -11.094 8.816 836 H SER 111 H SER 111 13.901 -18.182 8.748 837 HA SER 111 HA SER 111 13.371 -16.868 6.167 838 1HB SER 111 2HB SER 111 14.196 -19.604 6.890 839 2HB SER 111 1HB SER 111 12.918 -19.516 5.678 840 HG SER 111 HG SER 111 14.258 -18.564 4.304 841 H ALA 112 H ALA 112 11.978 -18.638 8.841 842 HA ALA 112 HA ALA 112 9.311 -17.959 7.819 843 1HB ALA 112 1HB ALA 112 9.736 -20.550 9.250 844 2HB ALA 112 2HB ALA 112 10.021 -20.432 7.513 845 3HB ALA 112 3HB ALA 112 8.425 -20.068 8.172 846 H THR 113 H THR 113 8.632 -16.463 9.222 847 HA THR 113 HA THR 113 9.387 -16.527 11.997 848 HB THR 113 HB THR 113 7.838 -14.518 12.128 849 HG1 THR 113 1HG THR 113 7.857 -14.665 9.309 850 1HG2 THR 113 1HG2 THR 113 10.404 -14.718 11.032 851 2HG2 THR 113 2HG2 THR 113 9.627 -13.295 11.726 852 3HG2 THR 113 3HG2 THR 113 9.503 -13.612 9.995 853 H LYS 114 H LYS 114 6.098 -15.983 10.773 854 HA LYS 114 HA LYS 114 5.157 -18.257 12.336 855 1HB LYS 114 2HB LYS 114 3.380 -16.886 13.389 856 2HB LYS 114 1HB LYS 114 4.997 -16.422 13.901 857 1HG LYS 114 2HG LYS 114 4.966 -14.486 12.517 858 2HG LYS 114 1HG LYS 114 3.473 -15.004 11.731 859 1HD LYS 114 2HD LYS 114 2.753 -13.402 13.264 860 2HD LYS 114 1HD LYS 114 2.455 -14.930 14.096 861 1HE LYS 114 2HE LYS 114 5.102 -13.671 14.506 862 2HE LYS 114 1HE LYS 114 3.715 -12.867 15.241 863 1HZ LYS 114 1HZ LYS 114 3.828 -15.735 15.632 864 2HZ LYS 114 2HZ LYS 114 3.451 -14.506 16.730 865 3HZ LYS 114 3HZ LYS 114 5.067 -14.864 16.386 866 H ALA 115 H ALA 115 4.410 -15.744 9.986 867 HA ALA 115 HA ALA 115 1.978 -17.069 9.181 868 1HB ALA 115 1HB ALA 115 3.141 -15.041 7.388 869 2HB ALA 115 2HB ALA 115 2.769 -14.493 9.024 870 3HB ALA 115 3HB ALA 115 1.501 -15.193 8.018 871 H GLU 116 H GLU 116 5.311 -17.212 8.396 872 HA GLU 116 HA GLU 116 4.882 -18.389 5.788 873 1HB GLU 116 2HB GLU 116 7.443 -18.123 7.361 874 2HB GLU 116 1HB GLU 116 7.304 -18.539 5.659 875 1HG GLU 116 2HG GLU 116 6.319 -15.936 6.791 876 2HG GLU 116 1HG GLU 116 7.955 -16.164 6.175 877 H LEU 117 H LEU 117 5.814 -19.484 9.036 878 HA LEU 117 HA LEU 117 6.203 -22.165 8.054 879 1HB LEU 117 2HB LEU 117 6.839 -22.830 10.202 880 2HB LEU 117 1HB LEU 117 7.561 -21.271 9.931 881 HG LEU 117 HG LEU 117 5.688 -22.186 12.002 882 1HD1 LEU 117 1HD1 LEU 117 7.878 -20.151 11.720 883 2HD1 LEU 117 2HD1 LEU 117 7.875 -21.651 12.646 884 3HD1 LEU 117 3HD1 LEU 117 6.899 -20.286 13.179 885 1HD2 LEU 117 1HD2 LEU 117 4.178 -20.677 10.880 886 2HD2 LEU 117 2HD2 LEU 117 5.413 -19.427 10.836 887 3HD2 LEU 117 3HD2 LEU 117 4.751 -19.970 12.380 888 H ILE 118 H ILE 118 3.531 -20.356 9.124 889 HA ILE 118 HA ILE 118 2.015 -22.717 9.844 890 HB ILE 118 HB ILE 118 1.544 -20.587 10.985 891 1HG1 ILE 118 2HG1 ILE 118 -0.177 -22.444 10.577 892 2HG1 ILE 118 1HG1 ILE 118 -0.786 -20.876 11.092 893 1HG2 ILE 118 1HG2 ILE 118 0.428 -19.626 8.356 894 2HG2 ILE 118 2HG2 ILE 118 1.927 -19.060 9.098 895 3HG2 ILE 118 3HG2 ILE 118 0.385 -18.773 9.897 896 1HD1 ILE 118 1HD1 ILE 118 -1.512 -22.393 8.828 897 2HD1 ILE 118 2HD1 ILE 118 -0.724 -20.925 8.250 898 3HD1 ILE 118 3HD1 ILE 118 -2.113 -20.814 9.329 899 H ALA 119 H ALA 119 2.646 -20.737 7.069 900 HA ALA 119 HA ALA 119 0.482 -21.888 5.508 901 1HB ALA 119 1HB ALA 119 2.400 -19.671 5.165 902 2HB ALA 119 2HB ALA 119 0.692 -19.772 4.741 903 3HB ALA 119 3HB ALA 119 1.904 -20.511 3.696 904 H LEU 120 H LEU 120 3.938 -22.167 5.921 905 HA LEU 120 HA LEU 120 4.756 -23.466 3.662 906 1HB LEU 120 2HB LEU 120 6.128 -22.758 5.674 907 2HB LEU 120 1HB LEU 120 5.667 -24.281 6.410 908 HG LEU 120 HG LEU 120 6.717 -25.465 4.475 909 1HD1 LEU 120 1HD1 LEU 120 7.585 -24.402 2.713 910 2HD1 LEU 120 2HD1 LEU 120 8.336 -23.160 3.714 911 3HD1 LEU 120 3HD1 LEU 120 6.640 -23.015 3.253 912 1HD2 LEU 120 1HD2 LEU 120 8.622 -23.627 5.913 913 2HD2 LEU 120 2HD2 LEU 120 8.949 -25.242 5.283 914 3HD2 LEU 120 3HD2 LEU 120 7.864 -25.035 6.657 915 H PHE 121 H PHE 121 3.223 -24.976 6.501 916 HA PHE 121 HA PHE 121 3.473 -27.619 5.496 917 1HB PHE 121 2HB PHE 121 1.589 -26.460 7.553 918 2HB PHE 121 1HB PHE 121 1.717 -28.180 7.197 919 HD1 PHE 121 1HD PHE 121 3.360 -25.291 8.680 920 HD2 PHE 121 2HD PHE 121 3.655 -29.455 7.890 921 HE1 PHE 121 1HE PHE 121 5.216 -25.455 10.271 922 HE2 PHE 121 2HE PHE 121 5.508 -29.631 9.491 923 HZ PHE 121 HZ PHE 121 6.287 -27.625 10.681 924 H ALA 122 H ALA 122 2.747 -27.000 3.237 925 HA ALA 122 HA ALA 122 0.078 -27.951 2.860 926 1HB ALA 122 1HB ALA 122 -1.021 -26.032 2.766 927 2HB ALA 122 2HB ALA 122 -0.060 -25.589 1.355 928 3HB ALA 122 3HB ALA 122 0.473 -25.117 2.968 929 HA PRO 123 HA PRO 123 2.012 -27.342 -1.504 930 1HB PRO 123 2HB PRO 123 4.578 -25.977 -1.062 931 2HB PRO 123 1HB PRO 123 3.289 -25.596 -2.207 932 1HG PRO 123 2HG PRO 123 3.787 -24.046 -0.069 933 2HG PRO 123 1HG PRO 123 2.143 -24.292 -0.687 934 1HD PRO 123 2HD PRO 123 3.498 -25.577 1.655 935 2HD PRO 123 1HD PRO 123 1.845 -24.948 1.519 936 H ALA 124 H ALA 124 2.380 -29.529 -1.432 937 HA ALA 124 HA ALA 124 4.443 -30.814 -0.034 938 1HB ALA 124 1HB ALA 124 2.778 -31.628 -2.397 939 2HB ALA 124 2HB ALA 124 2.650 -32.160 -0.721 940 3HB ALA 124 3HB ALA 124 4.010 -32.688 -1.712 941 H ASP 125 H ASP 125 6.338 -29.583 -0.426 942 HA ASP 125 HA ASP 125 7.775 -30.457 -2.794 943 1HB ASP 125 2HB ASP 125 7.607 -27.515 -2.120 944 2HB ASP 125 1HB ASP 125 8.462 -28.243 -3.475 945 H GLY 126 H GLY 126 10.097 -29.257 -2.640 946 1HA GLY 126 2HA GLY 126 10.996 -28.995 0.106 947 2HA GLY 126 1HA GLY 126 11.586 -30.420 -0.734 948 H GLU 127 H GLU 127 13.716 -29.911 -0.889 949 HA GLU 127 HA GLU 127 14.384 -27.438 -2.347 950 1HB GLU 127 2HB GLU 127 16.672 -27.740 -1.267 951 2HB GLU 127 1HB GLU 127 15.360 -27.241 -0.208 952 1HG GLU 127 2HG GLU 127 15.120 -29.512 0.604 953 2HG GLU 127 1HG GLU 127 16.380 -30.058 -0.501 954 H LYS 128 H LYS 128 15.198 -30.852 -1.908 955 HA LYS 128 HA LYS 128 16.231 -30.877 -4.660 956 1HB LYS 128 2HB LYS 128 17.834 -31.159 -2.429 957 2HB LYS 128 1HB LYS 128 17.513 -32.824 -2.893 958 1HG LYS 128 2HG LYS 128 18.635 -30.693 -4.701 959 2HG LYS 128 1HG LYS 128 19.564 -31.964 -3.903 960 1HD LYS 128 2HD LYS 128 19.194 -33.234 -5.695 961 2HD LYS 128 1HD LYS 128 17.500 -33.306 -5.208 962 1HE LYS 128 2HE LYS 128 16.850 -31.737 -6.739 963 2HE LYS 128 1HE LYS 128 18.417 -30.928 -6.736 964 1HZ LYS 128 1HZ LYS 128 17.625 -33.390 -8.162 965 2HZ LYS 128 2HZ LYS 128 19.251 -33.029 -7.876 966 3HZ LYS 128 3HZ LYS 128 18.302 -31.975 -8.795 967 H SER 129 H SER 129 15.014 -32.820 -1.953 968 HA SER 129 HA SER 129 14.561 -35.210 -3.288 969 1HB SER 129 2HB SER 129 13.498 -33.918 -0.847 970 2HB SER 129 1HB SER 129 12.496 -35.196 -1.533 971 HG SER 129 HG SER 129 14.215 -35.798 0.042 972 H GLU 130 H GLU 130 12.889 -36.059 -4.473 973 HA GLU 130 HA GLU 130 10.611 -34.336 -5.107 974 1HB GLU 130 2HB GLU 130 12.567 -34.157 -6.812 975 2HB GLU 130 1HB GLU 130 12.043 -35.753 -7.333 976 1HG GLU 130 2HG GLU 130 11.101 -33.933 -8.690 977 2HG GLU 130 1HG GLU 130 9.868 -34.914 -7.901 978 H ALA 131 H ALA 131 8.885 -35.520 -6.271 979 HA ALA 131 HA ALA 131 8.198 -37.888 -4.963 980 1HB ALA 131 1HB ALA 131 6.815 -36.122 -6.411 981 2HB ALA 131 2HB ALA 131 6.224 -37.750 -6.072 982 3HB ALA 131 3HB ALA 131 6.992 -37.394 -7.620 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 23.402 1.056 28.506 2 2H GLY 1 2HT GLY 1 24.938 1.705 28.789 3 3H GLY 1 3HT GLY 1 24.782 0.227 27.984 4 1HA GLY 1 1HA GLY 1 23.825 2.844 26.960 5 2HA GLY 1 2HA GLY 1 25.303 2.042 26.450 6 H SER 2 H SER 2 24.095 2.395 24.339 7 HA SER 2 HA SER 2 23.091 1.481 22.516 8 1HB SER 2 2HB SER 2 24.410 -0.537 23.269 9 2HB SER 2 1HB SER 2 22.955 -1.095 24.093 10 HG SER 2 HG SER 2 23.605 -1.394 21.542 11 H HIS 3 H HIS 3 21.077 1.822 21.855 12 HA HIS 3 HA HIS 3 18.907 1.592 23.798 13 1HB HIS 3 2HB HIS 3 19.286 3.710 22.477 14 2HB HIS 3 1HB HIS 3 18.795 2.820 21.041 15 HD1 HIS 3 1HD HIS 3 16.403 3.063 20.488 16 HD2 HIS 3 2HD HIS 3 17.101 3.561 24.554 17 HE1 HIS 3 1HE HIS 3 14.167 3.632 21.489 18 HE2 HIS 3 2HE HIS 3 14.599 3.850 23.961 19 H MET 4 H MET 4 19.142 1.014 20.284 20 HA MET 4 HA MET 4 18.464 -1.699 20.360 21 1HB MET 4 2HB MET 4 16.285 -0.286 21.101 22 2HB MET 4 1HB MET 4 16.064 -0.285 19.357 23 1HG MET 4 2HG MET 4 14.959 -2.192 19.829 24 2HG MET 4 1HG MET 4 16.579 -2.868 19.683 25 1HE MET 4 1HE MET 4 13.814 -3.883 21.294 26 2HE MET 4 2HE MET 4 13.530 -2.267 21.941 27 3HE MET 4 3HE MET 4 13.877 -3.607 23.034 28 H ASP 5 H ASP 5 17.238 0.991 18.366 29 HA ASP 5 HA ASP 5 19.125 0.539 16.277 30 1HB ASP 5 2HB ASP 5 17.149 -1.302 16.214 31 2HB ASP 5 1HB ASP 5 16.396 -0.022 15.269 32 H LYS 6 H LYS 6 18.996 2.095 14.618 33 HA LYS 6 HA LYS 6 16.974 4.195 14.995 34 1HB LYS 6 2HB LYS 6 18.694 5.912 14.670 35 2HB LYS 6 1HB LYS 6 19.031 4.932 16.091 36 1HG LYS 6 2HG LYS 6 20.916 4.053 15.209 37 2HG LYS 6 1HG LYS 6 20.283 4.062 13.562 38 1HD LYS 6 2HD LYS 6 20.751 6.703 14.802 39 2HD LYS 6 1HD LYS 6 22.188 5.749 14.426 40 1HE LYS 6 2HE LYS 6 21.985 6.690 12.394 41 2HE LYS 6 1HE LYS 6 20.767 5.440 12.145 42 1HZ LYS 6 1HZ LYS 6 19.077 6.923 12.304 43 2HZ LYS 6 2HZ LYS 6 20.265 7.980 11.729 44 3HZ LYS 6 3HZ LYS 6 19.896 7.941 13.380 45 H THR 7 H THR 7 17.152 2.043 13.048 46 HA THR 7 HA THR 7 16.677 3.572 10.685 47 HB THR 7 HB THR 7 18.922 3.643 10.189 48 HG1 THR 7 1HG THR 7 18.372 1.039 9.230 49 1HG2 THR 7 1HG2 THR 7 19.115 1.103 11.728 50 2HG2 THR 7 2HG2 THR 7 20.070 2.583 11.868 51 3HG2 THR 7 3HG2 THR 7 20.351 1.477 10.523 52 H PHE 8 H PHE 8 15.229 2.537 9.491 53 HA PHE 8 HA PHE 8 15.160 -0.360 9.467 54 1HB PHE 8 2HB PHE 8 13.425 1.142 11.110 55 2HB PHE 8 1HB PHE 8 12.458 0.526 9.769 56 HD1 PHE 8 1HD PHE 8 14.971 -0.574 12.283 57 HD2 PHE 8 2HD PHE 8 11.654 -1.587 9.809 58 HE1 PHE 8 1HE PHE 8 14.859 -2.790 13.356 59 HE2 PHE 8 2HE PHE 8 11.535 -3.810 10.889 60 HZ PHE 8 HZ PHE 8 13.139 -4.410 12.659 61 H CYS 9 H CYS 9 14.929 -1.037 7.474 62 HA CYS 9 HA CYS 9 13.482 0.674 5.557 63 1HB CYS 9 2HB CYS 9 14.783 -0.737 3.829 64 2HB CYS 9 1HB CYS 9 15.669 0.502 4.713 65 HG CYS 9 HG CYS 9 17.016 -1.774 4.628 66 H VAL 10 H VAL 10 11.645 -0.146 4.757 67 HA VAL 10 HA VAL 10 11.018 -2.964 5.318 68 HB VAL 10 HB VAL 10 9.580 -0.695 5.985 69 1HG1 VAL 10 1HG1 VAL 10 8.914 -0.600 3.531 70 2HG1 VAL 10 2HG1 VAL 10 7.614 -0.561 4.719 71 3HG1 VAL 10 3HG1 VAL 10 7.969 -2.054 3.852 72 1HG2 VAL 10 1HG2 VAL 10 8.004 -3.154 5.749 73 2HG2 VAL 10 2HG2 VAL 10 8.350 -2.156 7.161 74 3HG2 VAL 10 3HG2 VAL 10 9.542 -3.320 6.591 75 H VAL 11 H VAL 11 9.841 -4.175 3.782 76 HA VAL 11 HA VAL 11 9.776 -3.083 1.078 77 HB VAL 11 HB VAL 11 11.818 -4.197 1.027 78 1HG1 VAL 11 1HG1 VAL 11 10.490 -6.412 2.549 79 2HG1 VAL 11 2HG1 VAL 11 11.798 -5.353 3.078 80 3HG1 VAL 11 3HG1 VAL 11 12.089 -6.551 1.815 81 1HG2 VAL 11 1HG2 VAL 11 10.407 -4.760 -0.881 82 2HG2 VAL 11 2HG2 VAL 11 9.772 -6.157 -0.012 83 3HG2 VAL 11 3HG2 VAL 11 11.474 -6.105 -0.475 84 H VAL 12 H VAL 12 7.691 -3.115 0.664 85 HA VAL 12 HA VAL 12 6.008 -5.307 1.587 86 HB VAL 12 HB VAL 12 5.286 -2.748 0.143 87 1HG1 VAL 12 1HG1 VAL 12 2.988 -3.259 0.743 88 2HG1 VAL 12 2HG1 VAL 12 3.506 -4.768 1.492 89 3HG1 VAL 12 3HG1 VAL 12 3.672 -4.547 -0.250 90 1HG2 VAL 12 1HG2 VAL 12 6.179 -2.956 2.694 91 2HG2 VAL 12 2HG2 VAL 12 4.443 -3.160 2.928 92 3HG2 VAL 12 3HG2 VAL 12 5.061 -1.715 2.127 93 H GLN 13 H GLN 13 5.167 -6.839 0.305 94 HA GLN 13 HA GLN 13 5.691 -6.639 -2.589 95 1HB GLN 13 2HB GLN 13 5.842 -9.022 -0.750 96 2HB GLN 13 1HB GLN 13 5.745 -9.186 -2.499 97 1HG GLN 13 2HG GLN 13 7.903 -8.744 -2.752 98 2HG GLN 13 1HG GLN 13 7.810 -7.322 -1.715 99 1HE2 GLN 13 1HE2 GLN 13 7.321 -8.124 0.698 100 2HE2 GLN 13 2HE2 GLN 13 8.474 -9.275 1.272 101 H ASN 14 H ASN 14 3.823 -6.205 -3.559 102 HA ASN 14 HA ASN 14 1.358 -7.430 -2.554 103 1HB ASN 14 2HB ASN 14 1.152 -5.581 -4.840 104 2HB ASN 14 1HB ASN 14 0.226 -5.631 -3.345 105 1HD2 ASN 14 1HD2 ASN 14 2.747 -4.142 -5.058 106 2HD2 ASN 14 2HD2 ASN 14 3.261 -3.047 -3.824 107 H ARG 15 H ARG 15 0.019 -8.682 -3.859 108 HA ARG 15 HA ARG 15 1.130 -9.489 -6.460 109 1HB ARG 15 2HB ARG 15 1.375 -11.090 -4.316 110 2HB ARG 15 1HB ARG 15 -0.231 -11.575 -4.845 111 1HG ARG 15 2HG ARG 15 0.663 -12.097 -7.063 112 2HG ARG 15 1HG ARG 15 2.274 -11.626 -6.517 113 1HD ARG 15 2HD ARG 15 1.974 -14.054 -6.462 114 2HD ARG 15 1HD ARG 15 2.246 -13.397 -4.850 115 HE ARG 15 HE ARG 15 -0.194 -14.602 -5.866 116 1HH1 ARG 15 1HH1 ARG 15 1.336 -12.781 -3.307 117 2HH1 ARG 15 2HH1 ARG 15 0.115 -13.161 -2.141 118 1HH2 ARG 15 1HH2 ARG 15 -1.796 -15.099 -4.332 119 2HH2 ARG 15 2HH2 ARG 15 -1.662 -14.475 -2.722 120 H ILE 16 H ILE 16 -0.971 -7.626 -5.906 121 HA ILE 16 HA ILE 16 -3.369 -9.096 -6.761 122 HB ILE 16 HB ILE 16 -3.234 -6.230 -5.825 123 1HG1 ILE 16 2HG1 ILE 16 -4.471 -7.612 -3.816 124 2HG1 ILE 16 1HG1 ILE 16 -3.239 -8.764 -4.323 125 1HG2 ILE 16 1HG2 ILE 16 -5.295 -6.227 -6.691 126 2HG2 ILE 16 2HG2 ILE 16 -5.738 -7.209 -5.296 127 3HG2 ILE 16 3HG2 ILE 16 -5.339 -7.985 -6.828 128 1HD1 ILE 16 1HD1 ILE 16 -2.458 -5.936 -3.828 129 2HD1 ILE 16 2HD1 ILE 16 -1.515 -7.416 -3.656 130 3HD1 ILE 16 3HD1 ILE 16 -2.745 -7.010 -2.459 131 H LYS 17 H LYS 17 -1.650 -6.045 -7.457 132 HA LYS 17 HA LYS 17 -1.597 -6.412 -10.231 133 1HB LYS 17 2HB LYS 17 -3.290 -4.585 -10.809 134 2HB LYS 17 1HB LYS 17 -3.936 -6.153 -10.349 135 1HG LYS 17 2HG LYS 17 -4.204 -5.239 -8.024 136 2HG LYS 17 1HG LYS 17 -3.822 -3.652 -8.694 137 1HD LYS 17 2HD LYS 17 -5.709 -4.161 -10.379 138 2HD LYS 17 1HD LYS 17 -6.193 -5.409 -9.229 139 1HE LYS 17 2HE LYS 17 -6.880 -3.903 -7.672 140 2HE LYS 17 1HE LYS 17 -5.672 -2.705 -8.141 141 1HZ LYS 17 1HZ LYS 17 -8.258 -2.476 -8.702 142 2HZ LYS 17 2HZ LYS 17 -7.737 -3.261 -10.106 143 3HZ LYS 17 3HZ LYS 17 -7.039 -1.788 -9.655 144 H GLU 18 H GLU 18 -1.533 -3.936 -11.279 145 HA GLU 18 HA GLU 18 0.574 -2.640 -9.714 146 1HB GLU 18 2HB GLU 18 1.070 -1.444 -11.852 147 2HB GLU 18 1HB GLU 18 1.232 -3.192 -11.954 148 1HG GLU 18 2HG GLU 18 -0.722 -3.418 -13.211 149 2HG GLU 18 1HG GLU 18 -1.293 -1.808 -12.777 150 H GLY 19 H GLY 19 -2.311 -2.351 -9.138 151 1HA GLY 19 2HA GLY 19 -2.326 0.504 -8.815 152 2HA GLY 19 1HA GLY 19 -3.522 -0.055 -9.978 153 H TYR 20 H TYR 20 -2.362 -1.269 -6.836 154 HA TYR 20 HA TYR 20 -5.148 -1.665 -6.035 155 1HB TYR 20 2HB TYR 20 -3.556 -3.575 -5.860 156 2HB TYR 20 1HB TYR 20 -2.622 -2.647 -4.691 157 HD1 TYR 20 2HD TYR 20 -6.215 -3.576 -5.199 158 HD2 TYR 20 1HD TYR 20 -2.946 -3.250 -2.497 159 HE1 TYR 20 2HE TYR 20 -7.633 -4.445 -3.389 160 HE2 TYR 20 1HE TYR 20 -4.355 -4.120 -0.679 161 HH TYR 20 HH TYR 20 -6.592 -5.714 -0.685 162 H ARG 21 H ARG 21 -4.035 0.972 -6.114 163 HA ARG 21 HA ARG 21 -4.084 2.872 -4.865 164 1HB ARG 21 2HB ARG 21 -5.333 1.100 -2.763 165 2HB ARG 21 1HB ARG 21 -5.441 2.855 -2.846 166 1HG ARG 21 2HG ARG 21 -7.379 2.484 -3.878 167 2HG ARG 21 1HG ARG 21 -6.384 2.119 -5.289 168 1HD ARG 21 2HD ARG 21 -6.572 -0.179 -4.987 169 2HD ARG 21 1HD ARG 21 -7.047 -0.014 -3.296 170 HE ARG 21 HE ARG 21 -9.081 1.174 -4.613 171 1HH1 ARG 21 1HH1 ARG 21 -7.524 -1.931 -4.958 172 2HH1 ARG 21 2HH1 ARG 21 -8.951 -2.722 -5.537 173 1HH2 ARG 21 1HH2 ARG 21 -10.959 0.135 -5.375 174 2HH2 ARG 21 2HH2 ARG 21 -10.901 -1.550 -5.775 175 H ARG 22 H ARG 22 -3.705 3.469 -2.278 176 HA ARG 22 HA ARG 22 -2.174 3.762 -0.659 177 1HB ARG 22 2HB ARG 22 -1.714 0.899 -1.373 178 2HB ARG 22 1HB ARG 22 -0.560 1.696 -0.315 179 1HG ARG 22 2HG ARG 22 -1.935 0.975 1.301 180 2HG ARG 22 1HG ARG 22 -2.869 2.410 0.875 181 1HD ARG 22 2HD ARG 22 -4.169 1.011 -0.721 182 2HD ARG 22 1HD ARG 22 -3.306 -0.404 -0.118 183 HE ARG 22 HE ARG 22 -4.703 -0.412 1.680 184 1HH1 ARG 22 1HH1 ARG 22 -4.742 2.787 0.285 185 2HH1 ARG 22 2HH1 ARG 22 -5.980 3.370 1.346 186 1HH2 ARG 22 1HH2 ARG 22 -6.331 0.353 3.075 187 2HH2 ARG 22 2HH2 ARG 22 -6.883 1.988 2.931 188 H ALA 23 H ALA 23 0.446 3.313 -0.316 189 HA ALA 23 HA ALA 23 2.558 3.816 -1.030 190 1HB ALA 23 1HB ALA 23 1.787 4.136 -3.878 191 2HB ALA 23 2HB ALA 23 1.659 2.525 -3.172 192 3HB ALA 23 3HB ALA 23 3.208 3.369 -3.167 193 H GLY 24 H GLY 24 -0.086 5.706 -1.099 194 1HA GLY 24 2HA GLY 24 -0.190 8.003 -0.771 195 2HA GLY 24 1HA GLY 24 1.489 8.127 -1.276 196 H PHE 25 H PHE 25 -0.488 6.309 -3.391 197 HA PHE 25 HA PHE 25 -1.672 8.302 -4.936 198 1HB PHE 25 2HB PHE 25 -0.116 8.521 -6.805 199 2HB PHE 25 1HB PHE 25 0.616 9.091 -5.314 200 HD1 PHE 25 2HD PHE 25 1.544 6.595 -4.067 201 HD2 PHE 25 1HD PHE 25 1.609 7.822 -8.145 202 HE1 PHE 25 2HE PHE 25 3.484 5.142 -4.471 203 HE2 PHE 25 1HE PHE 25 3.548 6.366 -8.553 204 HZ PHE 25 HZ PHE 25 4.489 5.025 -6.715 205 H SER 26 H SER 26 0.188 5.290 -5.304 206 HA SER 26 HA SER 26 -1.868 3.595 -5.881 207 1HB SER 26 2HB SER 26 -1.527 3.438 -8.459 208 2HB SER 26 1HB SER 26 -2.588 4.693 -7.818 209 HG SER 26 HG SER 26 -1.049 5.440 -9.402 210 H PHE 27 H PHE 27 -0.516 2.168 -4.828 211 HA PHE 27 HA PHE 27 2.173 1.694 -5.465 212 1HB PHE 27 2HB PHE 27 0.491 0.847 -3.495 213 2HB PHE 27 1HB PHE 27 0.658 -0.623 -4.449 214 HD1 PHE 27 2HD PHE 27 3.274 -0.916 -5.257 215 HD2 PHE 27 1HD PHE 27 1.891 0.953 -1.693 216 HE1 PHE 27 2HE PHE 27 5.440 -1.369 -4.183 217 HE2 PHE 27 1HE PHE 27 4.055 0.504 -0.613 218 HZ PHE 27 HZ PHE 27 5.834 -0.658 -1.858 219 H HIS 28 H HIS 28 3.191 0.306 -6.829 220 HA HIS 28 HA HIS 28 1.620 -0.732 -9.035 221 1HB HIS 28 2HB HIS 28 4.174 0.350 -8.805 222 2HB HIS 28 1HB HIS 28 4.463 -1.361 -9.101 223 HD1 HIS 28 1HD HIS 28 4.608 -1.934 -11.494 224 HD2 HIS 28 2HD HIS 28 2.209 1.398 -10.856 225 HE1 HIS 28 1HE HIS 28 3.901 -1.166 -13.782 226 HE2 HIS 28 2HE HIS 28 2.380 0.798 -13.365 227 H LEU 29 H LEU 29 2.941 -2.905 -9.898 228 HA LEU 29 HA LEU 29 2.339 -4.876 -7.816 229 1HB LEU 29 2HB LEU 29 1.240 -4.955 -10.106 230 2HB LEU 29 1HB LEU 29 2.807 -5.416 -10.741 231 HG LEU 29 HG LEU 29 1.231 -7.319 -10.327 232 1HD1 LEU 29 1HD1 LEU 29 3.500 -7.837 -8.521 233 2HD1 LEU 29 2HD1 LEU 29 3.908 -7.229 -10.125 234 3HD1 LEU 29 3HD1 LEU 29 2.964 -8.709 -9.957 235 1HD2 LEU 29 1HD2 LEU 29 0.315 -7.732 -8.329 236 2HD2 LEU 29 2HD2 LEU 29 0.761 -6.073 -7.929 237 3HD2 LEU 29 3HD2 LEU 29 1.821 -7.406 -7.471 238 H GLY 30 H GLY 30 4.063 -5.380 -6.643 239 1HA GLY 30 2HA GLY 30 6.133 -6.939 -7.356 240 2HA GLY 30 1HA GLY 30 6.727 -5.343 -7.789 241 H ASP 31 H ASP 31 8.329 -5.154 -6.288 242 HA ASP 31 HA ASP 31 7.443 -5.027 -3.488 243 1HB ASP 31 2HB ASP 31 9.814 -5.795 -2.909 244 2HB ASP 31 1HB ASP 31 8.709 -7.013 -3.535 245 H ASN 32 H ASN 32 7.931 -3.207 -2.444 246 HA ASN 32 HA ASN 32 9.941 -1.413 -3.645 247 1HB ASN 32 2HB ASN 32 7.280 -0.877 -3.606 248 2HB ASN 32 1HB ASN 32 7.769 -0.166 -2.071 249 1HD2 ASN 32 1HD2 ASN 32 6.855 1.629 -3.624 250 2HD2 ASN 32 2HD2 ASN 32 8.075 2.541 -4.439 251 H SER 33 H SER 33 11.540 -0.798 -2.322 252 HA SER 33 HA SER 33 11.461 -1.655 0.444 253 1HB SER 33 2HB SER 33 13.657 -0.445 -1.239 254 2HB SER 33 1HB SER 33 13.844 -0.847 0.470 255 HG SER 33 HG SER 33 14.466 -2.681 -0.436 256 H LEU 34 H LEU 34 11.683 -0.360 2.218 257 HA LEU 34 HA LEU 34 10.996 2.462 1.802 258 1HB LEU 34 2HB LEU 34 9.363 1.224 3.112 259 2HB LEU 34 1HB LEU 34 10.601 0.643 4.199 260 HG LEU 34 HG LEU 34 9.121 2.442 5.093 261 1HD1 LEU 34 1HD1 LEU 34 10.921 2.240 6.416 262 2HD1 LEU 34 2HD1 LEU 34 11.322 3.817 5.745 263 3HD1 LEU 34 3HD1 LEU 34 12.051 2.355 5.083 264 1HD2 LEU 34 1HD2 LEU 34 10.498 4.696 4.119 265 2HD2 LEU 34 2HD2 LEU 34 8.796 4.289 3.908 266 3HD2 LEU 34 3HD2 LEU 34 9.978 3.775 2.708 267 H ALA 35 H ALA 35 12.057 4.071 3.094 268 HA ALA 35 HA ALA 35 14.858 3.760 3.238 269 1HB ALA 35 1HB ALA 35 13.230 6.020 4.344 270 2HB ALA 35 2HB ALA 35 13.645 5.847 2.640 271 3HB ALA 35 3HB ALA 35 14.919 6.048 3.842 272 H ALA 36 H ALA 36 16.204 4.200 5.070 273 HA ALA 36 HA ALA 36 15.467 2.633 7.328 274 1HB ALA 36 1HB ALA 36 17.854 4.139 6.456 275 2HB ALA 36 2HB ALA 36 17.712 2.493 7.071 276 3HB ALA 36 3HB ALA 36 17.690 3.857 8.189 277 H VAL 37 H VAL 37 13.925 3.341 8.603 278 HA VAL 37 HA VAL 37 14.006 6.093 9.655 279 HB VAL 37 HB VAL 37 11.545 4.425 9.850 280 1HG1 VAL 37 1HG1 VAL 37 12.164 7.048 10.407 281 2HG1 VAL 37 2HG1 VAL 37 10.543 6.370 10.246 282 3HG1 VAL 37 3HG1 VAL 37 11.314 7.148 8.864 283 1HG2 VAL 37 1HG2 VAL 37 12.786 5.315 7.315 284 2HG2 VAL 37 2HG2 VAL 37 11.041 5.526 7.483 285 3HG2 VAL 37 3HG2 VAL 37 11.757 3.922 7.649 286 H SER 38 H SER 38 12.107 5.595 11.744 287 HA SER 38 HA SER 38 13.770 3.998 13.563 288 1HB SER 38 2HB SER 38 12.055 6.429 13.965 289 2HB SER 38 1HB SER 38 12.407 5.363 15.325 290 HG SER 38 HG SER 38 14.429 6.425 13.655 291 H GLU 39 H GLU 39 11.966 2.663 11.907 292 HA GLU 39 HA GLU 39 10.621 0.824 12.194 293 1HB GLU 39 2HB GLU 39 11.196 1.331 14.795 294 2HB GLU 39 1HB GLU 39 9.458 1.602 14.787 295 1HG GLU 39 2HG GLU 39 9.277 -0.656 13.630 296 2HG GLU 39 1HG GLU 39 10.960 -0.897 14.096 297 H SER 40 H SER 40 9.616 4.085 12.586 298 HA SER 40 HA SER 40 6.866 3.919 12.700 299 1HB SER 40 2HB SER 40 8.541 5.830 11.051 300 2HB SER 40 1HB SER 40 6.834 6.055 11.429 301 HG SER 40 HG SER 40 8.792 5.711 13.440 302 H GLN 41 H GLN 41 9.014 3.300 10.029 303 HA GLN 41 HA GLN 41 7.256 3.253 7.877 304 1HB GLN 41 2HB GLN 41 8.867 1.403 7.025 305 2HB GLN 41 1HB GLN 41 9.448 3.046 7.243 306 1HG GLN 41 2HG GLN 41 11.153 1.878 8.200 307 2HG GLN 41 1HG GLN 41 10.145 2.149 9.615 308 1HE2 GLN 41 1HE2 GLN 41 11.037 -0.177 7.152 309 2HE2 GLN 41 2HE2 GLN 41 10.609 -1.584 8.056 310 H LEU 42 H LEU 42 8.080 0.676 10.152 311 HA LEU 42 HA LEU 42 6.647 -1.393 8.952 312 1HB LEU 42 2HB LEU 42 8.182 -1.886 10.712 313 2HB LEU 42 1HB LEU 42 7.319 -0.859 11.840 314 HG LEU 42 HG LEU 42 5.438 -2.768 11.028 315 1HD1 LEU 42 1HD1 LEU 42 6.530 -4.894 11.501 316 2HD1 LEU 42 2HD1 LEU 42 8.086 -4.074 11.632 317 3HD1 LEU 42 3HD1 LEU 42 7.239 -4.115 10.086 318 1HD2 LEU 42 1HD2 LEU 42 6.216 -1.637 13.324 319 2HD2 LEU 42 2HD2 LEU 42 6.944 -3.230 13.530 320 3HD2 LEU 42 3HD2 LEU 42 5.208 -3.083 13.258 321 H ALA 43 H ALA 43 5.602 0.733 11.611 322 HA ALA 43 HA ALA 43 2.926 -0.232 11.578 323 1HB ALA 43 1HB ALA 43 3.819 0.706 13.592 324 2HB ALA 43 2HB ALA 43 2.467 1.704 13.056 325 3HB ALA 43 3HB ALA 43 4.124 2.247 12.792 326 H GLN 44 H GLN 44 4.623 2.264 9.847 327 HA GLN 44 HA GLN 44 2.504 3.905 9.079 328 1HB GLN 44 2HB GLN 44 4.929 4.357 8.668 329 2HB GLN 44 1HB GLN 44 4.893 3.156 7.385 330 1HG GLN 44 2HG GLN 44 3.430 4.467 6.071 331 2HG GLN 44 1HG GLN 44 3.102 5.566 7.411 332 1HE2 GLN 44 1HE2 GLN 44 4.163 6.031 4.686 333 2HE2 GLN 44 2HE2 GLN 44 5.654 6.875 4.916 334 H LEU 45 H LEU 45 3.845 1.050 7.439 335 HA LEU 45 HA LEU 45 1.755 1.028 5.466 336 1HB LEU 45 2HB LEU 45 4.173 -0.577 6.057 337 2HB LEU 45 1HB LEU 45 2.886 -1.383 5.181 338 1HD1 LEU 45 1HD1 LEU 45 5.849 0.734 4.490 339 2HD1 LEU 45 2HD1 LEU 45 5.569 0.058 2.885 340 3HD1 LEU 45 3HD1 LEU 45 5.577 -0.998 4.298 341 1HD2 LEU 45 1HD2 LEU 45 2.137 0.190 2.775 342 2HD2 LEU 45 2HD2 LEU 45 2.807 -1.406 3.113 343 3HD2 LEU 45 3HD2 LEU 45 3.656 -0.304 2.029 344 H LYS 46 H LYS 46 2.696 -1.119 8.136 345 HA LYS 46 HA LYS 46 0.606 -2.930 7.979 346 1HB LYS 46 2HB LYS 46 2.736 -2.668 9.607 347 2HB LYS 46 1HB LYS 46 1.465 -2.152 10.706 348 1HG LYS 46 2HG LYS 46 0.387 -4.414 9.631 349 2HG LYS 46 1HG LYS 46 2.106 -4.813 9.680 350 1HD LYS 46 2HD LYS 46 2.132 -4.941 11.923 351 2HD LYS 46 1HD LYS 46 1.106 -3.518 12.111 352 1HE LYS 46 2HE LYS 46 -0.804 -5.038 11.317 353 2HE LYS 46 1HE LYS 46 0.298 -6.372 11.654 354 1HZ LYS 46 1HZ LYS 46 0.413 -5.739 13.928 355 2HZ LYS 46 2HZ LYS 46 -1.225 -5.797 13.511 356 3HZ LYS 46 3HZ LYS 46 -0.441 -4.304 13.650 357 H ALA 47 H ALA 47 0.574 0.348 9.083 358 HA ALA 47 HA ALA 47 -1.504 0.492 10.846 359 1HB ALA 47 1HB ALA 47 -0.266 2.299 8.944 360 2HB ALA 47 2HB ALA 47 -0.873 2.611 10.571 361 3HB ALA 47 3HB ALA 47 -1.975 2.661 9.194 362 H ASP 48 H ASP 48 -1.676 -0.200 7.432 363 HA ASP 48 HA ASP 48 -4.609 -0.374 7.650 364 1HB ASP 48 2HB ASP 48 -3.007 0.084 5.126 365 2HB ASP 48 1HB ASP 48 -4.761 0.094 5.277 366 HA PRO 49 HA PRO 49 -3.679 -4.719 7.018 367 1HB PRO 49 2HB PRO 49 -6.171 -5.653 7.422 368 2HB PRO 49 1HB PRO 49 -5.157 -5.086 8.755 369 1HG PRO 49 2HG PRO 49 -7.361 -3.658 7.316 370 2HG PRO 49 1HG PRO 49 -7.034 -3.743 9.058 371 1HD PRO 49 2HD PRO 49 -6.316 -1.621 7.510 372 2HD PRO 49 1HD PRO 49 -5.417 -2.112 8.960 373 H ARG 50 H ARG 50 -3.403 -3.754 4.692 374 HA ARG 50 HA ARG 50 -5.442 -5.022 2.990 375 1HB ARG 50 2HB ARG 50 -4.206 -2.310 2.772 376 2HB ARG 50 1HB ARG 50 -4.630 -3.169 1.297 377 1HG ARG 50 2HG ARG 50 -6.523 -2.512 3.545 378 2HG ARG 50 1HG ARG 50 -6.400 -1.648 2.011 379 1HD ARG 50 2HD ARG 50 -6.700 -4.293 1.258 380 2HD ARG 50 1HD ARG 50 -7.769 -4.131 2.650 381 HE ARG 50 HE ARG 50 -8.102 -2.939 0.055 382 1HH1 ARG 50 1HH1 ARG 50 -8.925 -2.712 3.438 383 2HH1 ARG 50 2HH1 ARG 50 -10.379 -1.815 3.154 384 1HH2 ARG 50 1HH2 ARG 50 -10.013 -1.758 -0.322 385 2HH2 ARG 50 2HH2 ARG 50 -10.998 -1.274 1.019 386 H LEU 51 H LEU 51 -2.073 -3.942 3.238 387 HA LEU 51 HA LEU 51 -1.337 -6.137 1.416 388 1HB LEU 51 2HB LEU 51 -0.038 -3.421 1.632 389 2HB LEU 51 1HB LEU 51 0.549 -4.744 0.642 390 HG LEU 51 HG LEU 51 -2.176 -3.509 0.272 391 1HD1 LEU 51 1HD1 LEU 51 0.441 -2.813 -1.046 392 2HD1 LEU 51 2HD1 LEU 51 -0.605 -1.751 -0.103 393 3HD1 LEU 51 3HD1 LEU 51 -1.140 -2.347 -1.674 394 1HD2 LEU 51 1HD2 LEU 51 -1.443 -4.513 -2.114 395 2HD2 LEU 51 2HD2 LEU 51 -2.354 -5.423 -0.909 396 3HD2 LEU 51 3HD2 LEU 51 -0.607 -5.634 -1.038 397 H VAL 52 H VAL 52 0.426 -7.359 1.939 398 HA VAL 52 HA VAL 52 1.142 -7.536 4.677 399 HB VAL 52 HB VAL 52 2.711 -8.786 2.448 400 1HG1 VAL 52 1HG1 VAL 52 2.814 -10.678 4.104 401 2HG1 VAL 52 2HG1 VAL 52 2.103 -9.577 5.283 402 3HG1 VAL 52 3HG1 VAL 52 3.673 -9.208 4.564 403 1HG2 VAL 52 1HG2 VAL 52 0.730 -9.556 1.676 404 2HG2 VAL 52 2HG2 VAL 52 -0.094 -9.289 3.212 405 3HG2 VAL 52 3HG2 VAL 52 0.923 -10.713 2.992 406 H VAL 53 H VAL 53 2.411 -6.097 5.665 407 HA VAL 53 HA VAL 53 4.619 -4.868 4.184 408 HB VAL 53 HB VAL 53 3.383 -3.183 5.226 409 1HG1 VAL 53 1HG1 VAL 53 2.985 -5.167 7.344 410 2HG1 VAL 53 2HG1 VAL 53 1.906 -3.904 6.749 411 3HG1 VAL 53 3HG1 VAL 53 3.172 -3.507 7.910 412 1HG2 VAL 53 1HG2 VAL 53 5.772 -2.897 5.600 413 2HG2 VAL 53 2HG2 VAL 53 5.652 -3.786 7.118 414 3HG2 VAL 53 3HG2 VAL 53 4.843 -2.229 6.943 415 H GLN 54 H GLN 54 6.543 -5.712 4.357 416 HA GLN 54 HA GLN 54 7.281 -7.109 6.848 417 1HB GLN 54 2HB GLN 54 7.444 -7.957 4.042 418 2HB GLN 54 1HB GLN 54 8.929 -8.204 4.950 419 1HG GLN 54 2HG GLN 54 6.848 -9.105 6.601 420 2HG GLN 54 1HG GLN 54 6.502 -9.720 4.985 421 1HE2 GLN 54 1HE2 GLN 54 9.543 -9.139 6.709 422 2HE2 GLN 54 2HE2 GLN 54 10.134 -10.756 6.568 423 H ILE 55 H ILE 55 9.337 -6.827 7.654 424 HA ILE 55 HA ILE 55 10.835 -4.576 6.496 425 HB ILE 55 HB ILE 55 11.694 -4.093 8.662 426 1HG1 ILE 55 2HG1 ILE 55 10.651 -5.663 10.578 427 2HG1 ILE 55 1HG1 ILE 55 10.754 -6.846 9.278 428 1HG2 ILE 55 1HG2 ILE 55 8.863 -4.265 8.175 429 2HG2 ILE 55 2HG2 ILE 55 9.781 -3.012 9.009 430 3HG2 ILE 55 3HG2 ILE 55 9.206 -4.422 9.897 431 1HD1 ILE 55 1HD1 ILE 55 13.175 -5.249 9.640 432 2HD1 ILE 55 2HD1 ILE 55 12.976 -6.990 9.432 433 3HD1 ILE 55 3HD1 ILE 55 12.748 -6.260 11.021 434 H THR 56 H THR 56 13.040 -4.697 6.186 435 HA THR 56 HA THR 56 14.236 -7.373 6.476 436 HB THR 56 HB THR 56 14.957 -5.421 4.295 437 HG1 THR 56 1HG THR 56 12.954 -7.410 4.324 438 1HG2 THR 56 1HG2 THR 56 16.622 -6.985 4.276 439 2HG2 THR 56 2HG2 THR 56 15.454 -7.725 3.181 440 3HG2 THR 56 3HG2 THR 56 15.568 -8.276 4.853 441 H GLU 57 H GLU 57 15.547 -7.175 8.183 442 HA GLU 57 HA GLU 57 17.176 -4.762 8.477 443 1HB GLU 57 2HB GLU 57 15.776 -6.154 10.335 444 2HB GLU 57 1HB GLU 57 17.358 -6.901 10.509 445 1HG GLU 57 2HG GLU 57 18.265 -4.524 10.691 446 2HG GLU 57 1HG GLU 57 16.587 -4.035 10.921 447 H THR 58 H THR 58 18.732 -5.112 6.888 448 HA THR 58 HA THR 58 20.144 -7.465 6.422 449 HB THR 58 HB THR 58 21.971 -5.839 5.592 450 HG1 THR 58 1HG THR 58 21.608 -3.767 5.773 451 1HG2 THR 58 1HG2 THR 58 19.267 -5.335 4.401 452 2HG2 THR 58 2HG2 THR 58 20.138 -6.852 4.179 453 3HG2 THR 58 3HG2 THR 58 20.839 -5.340 3.602 454 H GLY 59 H GLY 59 20.931 -8.561 8.153 455 1HA GLY 59 2HA GLY 59 23.409 -7.926 9.227 456 2HA GLY 59 1HA GLY 59 22.213 -7.338 10.371 457 H SER 60 H SER 60 20.277 -9.347 10.070 458 HA SER 60 HA SER 60 21.616 -11.870 10.630 459 1HB SER 60 2HB SER 60 20.004 -10.333 12.662 460 2HB SER 60 1HB SER 60 20.198 -12.083 12.763 461 HG SER 60 HG SER 60 21.817 -10.375 13.748 462 H GLN 61 H GLN 61 20.600 -12.829 8.912 463 HA GLN 61 HA GLN 61 17.861 -12.526 8.288 464 1HB GLN 61 2HB GLN 61 20.100 -13.833 7.172 465 2HB GLN 61 1HB GLN 61 18.875 -15.073 7.406 466 1HG GLN 61 2HG GLN 61 17.888 -14.405 5.549 467 2HG GLN 61 1HG GLN 61 17.551 -12.852 6.309 468 1HE2 GLN 61 1HE2 GLN 61 17.937 -11.414 4.759 469 2HE2 GLN 61 2HE2 GLN 61 19.409 -11.278 3.865 470 H GLU 62 H GLU 62 16.084 -13.528 9.016 471 HA GLU 62 HA GLU 62 16.311 -16.016 10.513 472 1HB GLU 62 2HB GLU 62 14.865 -15.071 12.346 473 2HB GLU 62 1HB GLU 62 16.513 -14.458 12.305 474 1HG GLU 62 2HG GLU 62 15.746 -12.424 11.217 475 2HG GLU 62 1HG GLU 62 14.095 -13.041 11.207 476 H GLY 63 H GLY 63 14.470 -17.273 10.463 477 1HA GLY 63 2HA GLY 63 12.534 -16.537 8.434 478 2HA GLY 63 1HA GLY 63 12.662 -18.093 9.240 479 H GLY 64 H GLY 64 10.416 -18.179 9.574 480 1HA GLY 64 2HA GLY 64 9.545 -17.121 12.050 481 2HA GLY 64 1HA GLY 64 8.838 -16.197 10.733 482 H GLU 65 H GLU 65 6.911 -16.863 10.084 483 HA GLU 65 HA GLU 65 6.302 -19.634 9.696 484 1HB GLU 65 2HB GLU 65 4.417 -19.741 11.276 485 2HB GLU 65 1HB GLU 65 5.956 -19.533 12.103 486 1HG GLU 65 2HG GLU 65 4.368 -17.112 11.443 487 2HG GLU 65 1HG GLU 65 3.828 -18.141 12.769 488 H GLY 66 H GLY 66 3.676 -19.710 9.419 489 1HA GLY 66 2HA GLY 66 3.211 -17.927 7.195 490 2HA GLY 66 1HA GLY 66 2.158 -19.228 7.730 491 H LEU 67 H LEU 67 0.280 -18.016 7.622 492 HA LEU 67 HA LEU 67 0.094 -15.782 9.534 493 1HB LEU 67 2HB LEU 67 -1.824 -14.996 8.180 494 2HB LEU 67 1HB LEU 67 -0.305 -14.997 7.304 495 HG LEU 67 HG LEU 67 -2.054 -17.387 7.027 496 1HD1 LEU 67 1HD1 LEU 67 -3.705 -15.701 6.772 497 2HD1 LEU 67 2HD1 LEU 67 -3.242 -16.220 5.151 498 3HD1 LEU 67 3HD1 LEU 67 -2.626 -14.701 5.800 499 1HD2 LEU 67 1HD2 LEU 67 0.077 -15.991 5.535 500 2HD2 LEU 67 2HD2 LEU 67 -1.183 -16.762 4.572 501 3HD2 LEU 67 3HD2 LEU 67 -0.240 -17.716 5.718 502 H SER 68 H SER 68 -2.420 -15.481 10.078 503 HA SER 68 HA SER 68 -3.899 -17.905 10.411 504 1HB SER 68 2HB SER 68 -3.865 -17.631 12.997 505 2HB SER 68 1HB SER 68 -2.518 -18.458 12.215 506 HG SER 68 HG SER 68 -2.599 -16.001 13.495 507 H LYS 69 H LYS 69 -5.826 -17.106 9.879 508 HA LYS 69 HA LYS 69 -6.770 -14.708 11.304 509 1HB LYS 69 2HB LYS 69 -8.150 -14.244 9.230 510 2HB LYS 69 1HB LYS 69 -6.418 -13.981 9.076 511 1HG LYS 69 2HG LYS 69 -6.188 -16.145 7.963 512 2HG LYS 69 1HG LYS 69 -7.928 -16.402 8.112 513 1HD LYS 69 2HD LYS 69 -6.992 -13.895 6.817 514 2HD LYS 69 1HD LYS 69 -6.841 -15.402 5.910 515 1HE LYS 69 2HE LYS 69 -9.185 -15.816 6.066 516 2HE LYS 69 1HE LYS 69 -9.401 -14.491 7.209 517 1HZ LYS 69 1HZ LYS 69 -9.864 -14.261 4.610 518 2HZ LYS 69 2HZ LYS 69 -8.241 -13.789 4.638 519 3HZ LYS 69 3HZ LYS 69 -9.378 -12.960 5.576 520 H GLU 70 H GLU 70 -7.655 -16.234 12.843 521 HA GLU 70 HA GLU 70 -9.969 -17.748 11.856 522 1HB GLU 70 2HB GLU 70 -9.885 -18.786 14.178 523 2HB GLU 70 1HB GLU 70 -8.555 -19.175 13.095 524 1HG GLU 70 2HG GLU 70 -7.042 -18.234 14.431 525 2HG GLU 70 1HG GLU 70 -8.051 -16.821 14.733 526 HA PRO 71 HA PRO 71 -12.737 -14.829 13.688 527 1HB PRO 71 2HB PRO 71 -14.925 -16.377 14.034 528 2HB PRO 71 1HB PRO 71 -14.380 -15.850 12.437 529 1HG PRO 71 2HG PRO 71 -13.960 -18.478 13.810 530 2HG PRO 71 1HG PRO 71 -14.400 -18.155 12.122 531 1HD PRO 71 2HD PRO 71 -11.866 -18.757 12.898 532 2HD PRO 71 1HD PRO 71 -12.227 -17.710 11.511 533 H ALA 72 H ALA 72 -13.584 -14.187 15.667 534 HA ALA 72 HA ALA 72 -12.625 -15.706 17.960 535 1HB ALA 72 1HB ALA 72 -14.017 -13.139 18.386 536 2HB ALA 72 2HB ALA 72 -12.523 -13.070 17.451 537 3HB ALA 72 3HB ALA 72 -12.514 -13.746 19.080 538 H GLY 73 H GLY 73 -13.890 -16.816 19.321 539 1HA GLY 73 2HA GLY 73 -15.968 -16.971 20.583 540 2HA GLY 73 1HA GLY 73 -16.808 -16.399 19.150 541 H SER 74 H SER 74 -17.620 -18.679 20.483 542 HA SER 74 HA SER 74 -16.808 -20.824 18.631 543 1HB SER 74 2HB SER 74 -17.528 -22.412 20.415 544 2HB SER 74 1HB SER 74 -16.178 -21.389 20.903 545 HG SER 74 HG SER 74 -18.345 -21.704 22.228 546 H ASP 75 H ASP 75 -18.299 -21.289 17.169 547 HA ASP 75 HA ASP 75 -21.138 -21.022 17.917 548 1HB ASP 75 2HB ASP 75 -21.525 -20.549 15.452 549 2HB ASP 75 1HB ASP 75 -20.712 -19.276 16.359 550 H GLU 76 H GLU 76 -22.453 -22.712 17.497 551 HA GLU 76 HA GLU 76 -21.212 -25.083 16.280 552 1HB GLU 76 2HB GLU 76 -22.069 -25.187 18.661 553 2HB GLU 76 1HB GLU 76 -23.690 -25.009 18.002 554 1HG GLU 76 2HG GLU 76 -23.786 -27.197 17.728 555 2HG GLU 76 1HG GLU 76 -22.469 -27.088 16.560 556 H GLN 77 H GLN 77 -23.953 -22.923 16.112 557 HA GLN 77 HA GLN 77 -25.511 -24.456 14.306 558 1HB GLN 77 2HB GLN 77 -26.730 -22.344 13.906 559 2HB GLN 77 1HB GLN 77 -26.520 -22.683 15.619 560 1HG GLN 77 2HG GLN 77 -25.911 -20.525 15.684 561 2HG GLN 77 1HG GLN 77 -24.348 -21.174 15.192 562 1HE2 GLN 77 1HE2 GLN 77 -24.029 -18.987 14.376 563 2HE2 GLN 77 2HE2 GLN 77 -24.616 -18.588 12.802 564 H LYS 78 H LYS 78 -23.029 -21.989 13.884 565 HA LYS 78 HA LYS 78 -23.296 -22.135 10.982 566 1HB LYS 78 2HB LYS 78 -22.227 -20.208 12.893 567 2HB LYS 78 1HB LYS 78 -21.140 -20.482 11.539 568 1HG LYS 78 2HG LYS 78 -23.984 -20.056 10.875 569 2HG LYS 78 1HG LYS 78 -23.098 -18.667 11.507 570 1HD LYS 78 2HD LYS 78 -21.481 -20.006 9.564 571 2HD LYS 78 1HD LYS 78 -23.078 -19.705 8.877 572 1HE LYS 78 2HE LYS 78 -21.592 -17.551 10.337 573 2HE LYS 78 1HE LYS 78 -21.259 -17.889 8.640 574 1HZ LYS 78 1HZ LYS 78 -24.047 -17.697 9.048 575 2HZ LYS 78 2HZ LYS 78 -23.052 -16.751 8.062 576 3HZ LYS 78 3HZ LYS 78 -23.292 -16.320 9.680 577 H GLN 79 H GLN 79 -20.917 -21.914 9.929 578 HA GLN 79 HA GLN 79 -19.406 -24.243 10.920 579 1HB GLN 79 2HB GLN 79 -18.759 -24.680 8.599 580 2HB GLN 79 1HB GLN 79 -20.508 -24.691 8.782 581 1HG GLN 79 2HG GLN 79 -20.372 -22.227 8.031 582 2HG GLN 79 1HG GLN 79 -18.764 -22.660 7.455 583 1HE2 GLN 79 1HE2 GLN 79 -22.143 -22.902 6.929 584 2HE2 GLN 79 2HE2 GLN 79 -22.076 -23.769 5.437 585 H LEU 80 H LEU 80 -17.087 -24.190 9.840 586 HA LEU 80 HA LEU 80 -15.988 -21.481 9.891 587 1HB LEU 80 2HB LEU 80 -15.910 -22.891 12.163 588 2HB LEU 80 1HB LEU 80 -14.476 -23.547 11.395 589 HG LEU 80 HG LEU 80 -14.823 -20.580 11.599 590 1HD1 LEU 80 1HD1 LEU 80 -15.060 -22.032 13.846 591 2HD1 LEU 80 2HD1 LEU 80 -14.283 -20.451 13.784 592 3HD1 LEU 80 3HD1 LEU 80 -13.304 -21.916 13.742 593 1HD2 LEU 80 1HD2 LEU 80 -12.938 -20.913 10.390 594 2HD2 LEU 80 2HD2 LEU 80 -12.654 -22.517 11.064 595 3HD2 LEU 80 3HD2 LEU 80 -12.226 -21.082 11.995 596 H ARG 81 H ARG 81 -15.930 -22.090 7.575 597 HA ARG 81 HA ARG 81 -13.653 -23.845 6.943 598 1HB ARG 81 2HB ARG 81 -16.187 -23.967 5.947 599 2HB ARG 81 1HB ARG 81 -15.397 -22.967 4.734 600 1HG ARG 81 2HG ARG 81 -13.650 -24.720 4.512 601 2HG ARG 81 1HG ARG 81 -14.595 -25.732 5.606 602 1HD ARG 81 2HD ARG 81 -16.181 -26.173 4.048 603 2HD ARG 81 1HD ARG 81 -16.038 -24.583 3.299 604 HE ARG 81 HE ARG 81 -14.547 -25.469 1.816 605 1HH1 ARG 81 1HH1 ARG 81 -14.779 -27.609 4.563 606 2HH1 ARG 81 2HH1 ARG 81 -13.792 -28.838 3.847 607 1HH2 ARG 81 1HH2 ARG 81 -13.248 -27.085 0.873 608 2HH2 ARG 81 2HH2 ARG 81 -12.923 -28.541 1.752 609 H ALA 82 H ALA 82 -14.893 -20.617 6.721 610 HA ALA 82 HA ALA 82 -13.944 -18.653 6.081 611 1HB ALA 82 1HB ALA 82 -11.277 -19.270 5.467 612 2HB ALA 82 2HB ALA 82 -11.731 -20.336 6.796 613 3HB ALA 82 3HB ALA 82 -11.908 -18.590 6.967 614 H ASP 83 H ASP 83 -15.200 -18.676 4.165 615 HA ASP 83 HA ASP 83 -13.569 -18.840 1.754 616 1HB ASP 83 2HB ASP 83 -16.029 -20.475 2.277 617 2HB ASP 83 1HB ASP 83 -15.650 -19.960 0.635 618 HA PRO 84 HA PRO 84 -15.678 -14.863 1.469 619 1HB PRO 84 2HB PRO 84 -14.455 -14.965 -1.239 620 2HB PRO 84 1HB PRO 84 -14.386 -13.691 -0.018 621 1HG PRO 84 2HG PRO 84 -12.280 -15.263 -0.475 622 2HG PRO 84 1HG PRO 84 -12.687 -14.728 1.165 623 1HD PRO 84 2HD PRO 84 -13.117 -17.386 -0.128 624 2HD PRO 84 1HD PRO 84 -12.679 -17.003 1.550 625 HA PRO 85 HA PRO 85 -17.910 -16.221 -2.711 626 1HB PRO 85 2HB PRO 85 -17.387 -19.139 -2.530 627 2HB PRO 85 1HB PRO 85 -17.433 -18.089 -3.951 628 1HG PRO 85 2HG PRO 85 -15.115 -18.992 -2.999 629 2HG PRO 85 1HG PRO 85 -15.261 -17.343 -3.635 630 1HD PRO 85 2HD PRO 85 -15.165 -18.282 -0.796 631 2HD PRO 85 1HD PRO 85 -14.426 -16.848 -1.535 632 H SER 86 H SER 86 -19.468 -15.636 -1.061 633 HA SER 86 HA SER 86 -20.651 -17.738 0.531 634 1HB SER 86 2HB SER 86 -21.923 -15.049 0.219 635 2HB SER 86 1HB SER 86 -21.800 -16.070 1.651 636 HG SER 86 HG SER 86 -20.392 -14.074 1.404 637 H THR 87 H THR 87 -21.981 -19.155 -0.377 638 HA THR 87 HA THR 87 -23.467 -18.504 -2.769 639 HB THR 87 HB THR 87 -23.525 -21.033 -1.113 640 HG1 THR 87 1HG THR 87 -22.033 -21.784 -2.688 641 1HG2 THR 87 1HG2 THR 87 -24.121 -20.790 -4.038 642 2HG2 THR 87 2HG2 THR 87 -25.378 -20.655 -2.807 643 3HG2 THR 87 3HG2 THR 87 -24.440 -22.142 -2.951 644 H ASP 88 H ASP 88 -24.203 -19.344 0.597 645 HA ASP 88 HA ASP 88 -25.998 -18.861 1.913 646 1HB ASP 88 2HB ASP 88 -25.865 -16.685 0.313 647 2HB ASP 88 1HB ASP 88 -27.457 -17.293 -0.132 648 H LEU 89 H LEU 89 -27.300 -18.999 -1.412 649 HA LEU 89 HA LEU 89 -29.643 -20.353 -0.763 650 1HB LEU 89 2HB LEU 89 -29.232 -19.193 -2.900 651 2HB LEU 89 1HB LEU 89 -28.116 -20.464 -3.359 652 HG LEU 89 HG LEU 89 -29.988 -22.093 -3.273 653 1HD1 LEU 89 1HD1 LEU 89 -32.034 -21.592 -2.534 654 2HD1 LEU 89 2HD1 LEU 89 -32.068 -20.056 -3.399 655 3HD1 LEU 89 3HD1 LEU 89 -31.289 -20.162 -1.821 656 1HD2 LEU 89 1HD2 LEU 89 -29.917 -19.769 -5.126 657 2HD2 LEU 89 2HD2 LEU 89 -31.265 -20.900 -5.252 658 3HD2 LEU 89 3HD2 LEU 89 -29.608 -21.478 -5.438 659 H ASN 90 H ASN 90 -26.425 -21.538 -0.949 660 HA ASN 90 HA ASN 90 -26.683 -24.150 -1.743 661 1HB ASN 90 2HB ASN 90 -24.709 -22.645 -0.534 662 2HB ASN 90 1HB ASN 90 -25.025 -23.906 0.654 663 1HD2 ASN 90 1HD2 ASN 90 -24.267 -25.902 0.309 664 2HD2 ASN 90 2HD2 ASN 90 -23.425 -26.403 -1.115 665 H THR 91 H THR 91 -27.189 -22.906 1.567 666 HA THR 91 HA THR 91 -27.981 -25.423 2.618 667 HB THR 91 HB THR 91 -29.084 -23.498 4.292 668 HG1 THR 91 1HG THR 91 -26.596 -22.508 3.397 669 1HG2 THR 91 1HG2 THR 91 -26.641 -23.704 5.342 670 2HG2 THR 91 2HG2 THR 91 -26.603 -25.086 4.246 671 3HG2 THR 91 3HG2 THR 91 -27.863 -24.970 5.475 672 H PHE 92 H PHE 92 -29.627 -23.569 0.427 673 HA PHE 92 HA PHE 92 -32.271 -24.065 1.552 674 1HB PHE 92 2HB PHE 92 -31.382 -22.582 -0.933 675 2HB PHE 92 1HB PHE 92 -33.056 -22.737 -0.426 676 HD1 PHE 92 1HD PHE 92 -29.808 -21.756 1.151 677 HD2 PHE 92 2HD PHE 92 -33.934 -20.886 0.577 678 HE1 PHE 92 1HE PHE 92 -29.571 -19.744 2.542 679 HE2 PHE 92 2HE PHE 92 -33.702 -18.870 1.966 680 HZ PHE 92 HZ PHE 92 -31.520 -18.296 2.950 681 H THR 93 H THR 93 -32.877 -26.151 1.284 682 HA THR 93 HA THR 93 -32.624 -27.282 -1.424 683 HB THR 93 HB THR 93 -32.731 -29.515 0.087 684 HG1 THR 93 1HG THR 93 -31.196 -27.690 1.616 685 1HG2 THR 93 1HG2 THR 93 -31.027 -29.058 -1.602 686 2HG2 THR 93 2HG2 THR 93 -30.330 -29.719 -0.124 687 3HG2 THR 93 3HG2 THR 93 -30.195 -27.995 -0.469 688 H VAL 94 H VAL 94 -34.242 -28.909 1.244 689 HA VAL 94 HA VAL 94 -36.825 -28.366 -0.067 690 HB VAL 94 HB VAL 94 -36.359 -30.979 1.304 691 1HG1 VAL 94 1HG1 VAL 94 -38.374 -31.449 0.495 692 2HG1 VAL 94 2HG1 VAL 94 -37.877 -31.022 -1.142 693 3HG1 VAL 94 3HG1 VAL 94 -38.486 -29.776 -0.053 694 1HG2 VAL 94 1HG2 VAL 94 -35.797 -31.885 -1.026 695 2HG2 VAL 94 2HG2 VAL 94 -34.516 -31.060 -0.138 696 3HG2 VAL 94 3HG2 VAL 94 -35.375 -30.220 -1.429 697 H GLU 95 H GLU 95 -35.359 -29.547 2.939 698 HA GLU 95 HA GLU 95 -37.712 -28.893 4.467 699 1HB GLU 95 2HB GLU 95 -36.441 -29.737 6.385 700 2HB GLU 95 1HB GLU 95 -36.401 -30.866 5.038 701 1HG GLU 95 2HG GLU 95 -34.180 -28.932 5.192 702 2HG GLU 95 1HG GLU 95 -34.240 -30.171 6.445 703 H GLN 96 H GLN 96 -34.836 -27.221 3.571 704 HA GLN 96 HA GLN 96 -34.845 -25.489 5.875 705 1HB GLN 96 2HB GLN 96 -33.033 -26.102 3.721 706 2HB GLN 96 1HB GLN 96 -33.226 -24.360 3.865 707 1HG GLN 96 2HG GLN 96 -31.957 -24.294 5.677 708 2HG GLN 96 1HG GLN 96 -32.897 -25.564 6.458 709 1HE2 GLN 96 1HE2 GLN 96 -32.452 -27.683 4.794 710 2HE2 GLN 96 2HE2 GLN 96 -30.780 -28.121 4.836 711 H LEU 97 H LEU 97 -36.199 -25.431 2.681 712 HA LEU 97 HA LEU 97 -36.619 -22.575 2.780 713 1HB LEU 97 2HB LEU 97 -38.298 -23.934 0.850 714 2HB LEU 97 1HB LEU 97 -37.096 -22.695 0.616 715 HG LEU 97 HG LEU 97 -36.383 -24.456 -0.718 716 1HD1 LEU 97 1HD1 LEU 97 -34.272 -24.604 -0.038 717 2HD1 LEU 97 2HD1 LEU 97 -34.705 -25.345 1.498 718 3HD1 LEU 97 3HD1 LEU 97 -34.791 -23.593 1.310 719 1HD2 LEU 97 1HD2 LEU 97 -36.142 -26.640 1.068 720 2HD2 LEU 97 2HD2 LEU 97 -37.075 -26.518 -0.422 721 3HD2 LEU 97 3HD2 LEU 97 -37.798 -26.039 1.114 722 H LYS 98 H LYS 98 -38.674 -25.460 2.845 723 HA LYS 98 HA LYS 98 -41.089 -24.176 3.404 724 1HB LYS 98 2HB LYS 98 -41.828 -26.370 4.290 725 2HB LYS 98 1HB LYS 98 -41.034 -26.493 2.729 726 1HG LYS 98 2HG LYS 98 -38.937 -27.119 3.952 727 2HG LYS 98 1HG LYS 98 -39.913 -27.216 5.420 728 1HD LYS 98 2HD LYS 98 -39.595 -29.411 4.308 729 2HD LYS 98 1HD LYS 98 -41.289 -28.942 4.451 730 1HE LYS 98 2HE LYS 98 -41.573 -28.883 2.234 731 2HE LYS 98 1HE LYS 98 -40.051 -28.029 1.972 732 1HZ LYS 98 1HZ LYS 98 -40.116 -30.258 0.954 733 2HZ LYS 98 2HZ LYS 98 -40.275 -30.946 2.491 734 3HZ LYS 98 3HZ LYS 98 -38.869 -30.097 2.087 735 H ALA 99 H ALA 99 -38.402 -25.002 5.514 736 HA ALA 99 HA ALA 99 -39.942 -24.479 7.906 737 1HB ALA 99 1HB ALA 99 -38.084 -25.175 9.134 738 2HB ALA 99 2HB ALA 99 -36.965 -24.775 7.831 739 3HB ALA 99 3HB ALA 99 -38.029 -26.172 7.681 740 H GLN 100 H GLN 100 -37.898 -22.772 5.784 741 HA GLN 100 HA GLN 100 -37.469 -20.580 7.631 742 1HB GLN 100 2HB GLN 100 -36.531 -21.239 4.875 743 2HB GLN 100 1HB GLN 100 -36.508 -19.559 5.388 744 1HG GLN 100 2HG GLN 100 -35.248 -20.458 7.458 745 2HG GLN 100 1HG GLN 100 -34.960 -21.878 6.455 746 1HE2 GLN 100 1HE2 GLN 100 -33.784 -21.616 4.498 747 2HE2 GLN 100 2HE2 GLN 100 -32.679 -20.302 4.305 748 H LEU 101 H LEU 101 -39.487 -21.398 4.899 749 HA LEU 101 HA LEU 101 -40.472 -18.843 4.297 750 1HB LEU 101 2HB LEU 101 -41.420 -21.636 3.875 751 2HB LEU 101 1HB LEU 101 -42.593 -20.350 3.672 752 HG LEU 101 HG LEU 101 -40.068 -20.813 2.097 753 1HD1 LEU 101 1HD1 LEU 101 -41.932 -22.116 1.349 754 2HD1 LEU 101 2HD1 LEU 101 -41.670 -20.801 0.205 755 3HD1 LEU 101 3HD1 LEU 101 -42.987 -20.704 1.372 756 1HD2 LEU 101 1HD2 LEU 101 -41.417 -18.310 2.662 757 2HD2 LEU 101 2HD2 LEU 101 -41.384 -18.673 0.937 758 3HD2 LEU 101 3HD2 LEU 101 -39.879 -18.607 1.854 759 H THR 102 H THR 102 -41.711 -21.371 6.446 760 HA THR 102 HA THR 102 -43.934 -19.887 7.374 761 HB THR 102 HB THR 102 -43.337 -21.640 9.421 762 HG1 THR 102 1HG THR 102 -42.641 -22.981 7.036 763 1HG2 THR 102 1HG2 THR 102 -44.823 -23.253 8.121 764 2HG2 THR 102 2HG2 THR 102 -44.925 -21.971 6.912 765 3HG2 THR 102 3HG2 THR 102 -45.488 -21.679 8.561 766 H GLU 103 H GLU 103 -40.617 -20.260 8.464 767 HA GLU 103 HA GLU 103 -41.022 -18.740 10.845 768 1HB GLU 103 2HB GLU 103 -39.176 -20.500 10.321 769 2HB GLU 103 1HB GLU 103 -38.332 -19.144 9.585 770 1HG GLU 103 2HG GLU 103 -38.562 -17.933 11.761 771 2HG GLU 103 1HG GLU 103 -39.182 -19.431 12.454 772 H ARG 104 H ARG 104 -40.909 -17.889 7.661 773 HA ARG 104 HA ARG 104 -39.904 -15.189 8.270 774 1HB ARG 104 2HB ARG 104 -39.744 -16.889 5.826 775 2HB ARG 104 1HB ARG 104 -39.846 -15.147 5.620 776 1HG ARG 104 2HG ARG 104 -37.861 -14.872 7.031 777 2HG ARG 104 1HG ARG 104 -37.751 -16.626 7.199 778 1HD ARG 104 2HD ARG 104 -37.666 -16.693 4.651 779 2HD ARG 104 1HD ARG 104 -37.379 -14.956 4.728 780 HE ARG 104 HE ARG 104 -35.526 -17.057 5.393 781 1HH1 ARG 104 1HH1 ARG 104 -36.339 -13.692 5.842 782 2HH1 ARG 104 2HH1 ARG 104 -34.721 -13.227 6.247 783 1HH2 ARG 104 1HH2 ARG 104 -33.398 -16.446 5.926 784 2HH2 ARG 104 2HH2 ARG 104 -33.051 -14.789 6.293 785 H GLY 105 H GLY 105 -42.698 -16.600 8.371 786 1HA GLY 105 2HA GLY 105 -44.876 -15.956 8.058 787 2HA GLY 105 1HA GLY 105 -44.246 -14.323 7.900 788 H ILE 106 H ILE 106 -44.278 -17.324 5.959 789 HA ILE 106 HA ILE 106 -45.467 -15.824 3.752 790 HB ILE 106 HB ILE 106 -43.014 -17.519 3.322 791 1HG1 ILE 106 2HG1 ILE 106 -43.218 -14.499 3.321 792 2HG1 ILE 106 1HG1 ILE 106 -42.498 -15.454 4.613 793 1HG2 ILE 106 1HG2 ILE 106 -43.059 -16.303 1.103 794 2HG2 ILE 106 2HG2 ILE 106 -44.681 -15.767 1.537 795 3HG2 ILE 106 3HG2 ILE 106 -44.336 -17.489 1.368 796 1HD1 ILE 106 1HD1 ILE 106 -40.658 -16.017 3.346 797 2HD1 ILE 106 2HD1 ILE 106 -40.986 -14.364 2.823 798 3HD1 ILE 106 3HD1 ILE 106 -41.490 -15.725 1.819 799 H THR 107 H THR 107 -47.345 -17.028 3.842 800 HA THR 107 HA THR 107 -47.614 -19.741 4.287 801 HB THR 107 HB THR 107 -49.741 -19.504 2.878 802 HG1 THR 107 1HG THR 107 -49.066 -16.760 2.936 803 1HG2 THR 107 1HG2 THR 107 -50.339 -19.229 5.032 804 2HG2 THR 107 2HG2 THR 107 -50.577 -17.564 4.500 805 3HG2 THR 107 3HG2 THR 107 -49.094 -18.018 5.342 806 H PHE 108 H PHE 108 -47.858 -21.552 2.929 807 HA PHE 108 HA PHE 108 -46.058 -21.610 0.715 808 1HB PHE 108 2HB PHE 108 -47.949 -23.650 1.886 809 2HB PHE 108 1HB PHE 108 -46.960 -23.987 0.468 810 HD1 PHE 108 1HD PHE 108 -46.503 -22.538 3.883 811 HD2 PHE 108 2HD PHE 108 -45.011 -25.123 0.850 812 HE1 PHE 108 1HE PHE 108 -44.634 -23.172 5.350 813 HE2 PHE 108 2HE PHE 108 -43.141 -25.764 2.313 814 HZ PHE 108 HZ PHE 108 -42.950 -24.787 4.565 815 H LYS 109 H LYS 109 -49.583 -22.022 1.005 816 HA LYS 109 HA LYS 109 -51.278 -21.742 -0.484 817 1HB LYS 109 2HB LYS 109 -49.888 -19.516 -0.710 818 2HB LYS 109 1HB LYS 109 -49.505 -20.161 -2.301 819 1HG LYS 109 2HG LYS 109 -51.527 -19.681 -3.107 820 2HG LYS 109 1HG LYS 109 -52.347 -20.287 -1.666 821 1HD LYS 109 2HD LYS 109 -52.596 -18.230 -0.834 822 2HD LYS 109 1HD LYS 109 -50.906 -17.825 -1.137 823 1HE LYS 109 2HE LYS 109 -51.684 -16.407 -2.677 824 2HE LYS 109 1HE LYS 109 -51.995 -17.837 -3.661 825 1HZ LYS 109 1HZ LYS 109 -53.997 -16.850 -1.727 826 2HZ LYS 109 2HZ LYS 109 -54.229 -17.848 -3.072 827 3HZ LYS 109 3HZ LYS 109 -53.899 -16.204 -3.288 828 H GLN 110 H GLN 110 -52.025 -22.299 -2.664 829 HA GLN 110 HA GLN 110 -50.802 -24.683 -3.591 830 1HB GLN 110 2HB GLN 110 -53.300 -23.786 -3.724 831 2HB GLN 110 1HB GLN 110 -52.762 -23.227 -5.302 832 1HG GLN 110 2HG GLN 110 -52.438 -25.365 -6.099 833 2HG GLN 110 1HG GLN 110 -52.274 -26.054 -4.485 834 1HE2 GLN 110 1HE2 GLN 110 -53.852 -27.377 -6.134 835 2HE2 GLN 110 2HE2 GLN 110 -55.521 -27.140 -5.757 836 H SER 111 H SER 111 -48.648 -23.789 -4.000 837 HA SER 111 HA SER 111 -48.124 -23.489 -6.732 838 1HB SER 111 2HB SER 111 -47.114 -21.043 -6.334 839 2HB SER 111 1HB SER 111 -48.766 -21.291 -6.901 840 HG SER 111 HG SER 111 -47.976 -20.907 -4.201 841 H ALA 112 H ALA 112 -47.053 -22.738 -3.458 842 HA ALA 112 HA ALA 112 -44.262 -23.050 -4.128 843 1HB ALA 112 1HB ALA 112 -45.696 -22.611 -1.521 844 2HB ALA 112 2HB ALA 112 -44.760 -21.443 -2.452 845 3HB ALA 112 3HB ALA 112 -43.947 -22.788 -1.652 846 H THR 113 H THR 113 -45.127 -25.304 -5.007 847 HA THR 113 HA THR 113 -45.570 -27.401 -3.193 848 HB THR 113 HB THR 113 -44.175 -28.009 -5.745 849 HG1 THR 113 1HG THR 113 -45.460 -26.835 -6.885 850 1HG2 THR 113 1HG2 THR 113 -45.689 -29.471 -4.003 851 2HG2 THR 113 2HG2 THR 113 -45.325 -29.907 -5.672 852 3HG2 THR 113 3HG2 THR 113 -46.836 -29.085 -5.286 853 H LYS 114 H LYS 114 -42.613 -27.049 -5.170 854 HA LYS 114 HA LYS 114 -40.960 -27.392 -2.834 855 1HB LYS 114 2HB LYS 114 -41.774 -29.683 -4.173 856 2HB LYS 114 1HB LYS 114 -40.162 -29.379 -4.804 857 1HG LYS 114 2HG LYS 114 -39.564 -30.614 -3.019 858 2HG LYS 114 1HG LYS 114 -39.666 -29.055 -2.199 859 1HD LYS 114 2HD LYS 114 -40.853 -30.591 -0.847 860 2HD LYS 114 1HD LYS 114 -42.073 -29.628 -1.681 861 1HE LYS 114 2HE LYS 114 -42.185 -31.469 -3.398 862 2HE LYS 114 1HE LYS 114 -41.180 -32.434 -2.317 863 1HZ LYS 114 1HZ LYS 114 -42.869 -32.734 -0.866 864 2HZ LYS 114 2HZ LYS 114 -43.814 -32.498 -2.250 865 3HZ LYS 114 3HZ LYS 114 -43.569 -31.223 -1.165 866 H ALA 115 H ALA 115 -41.106 -27.215 -6.355 867 HA ALA 115 HA ALA 115 -38.380 -26.277 -6.511 868 1HB ALA 115 1HB ALA 115 -39.673 -27.648 -8.286 869 2HB ALA 115 2HB ALA 115 -38.606 -26.350 -8.825 870 3HB ALA 115 3HB ALA 115 -40.349 -26.089 -8.761 871 H GLU 116 H GLU 116 -41.520 -24.952 -6.126 872 HA GLU 116 HA GLU 116 -40.764 -22.295 -6.993 873 1HB GLU 116 2HB GLU 116 -43.289 -23.346 -5.718 874 2HB GLU 116 1HB GLU 116 -43.064 -21.687 -6.250 875 1HG GLU 116 2HG GLU 116 -42.972 -24.125 -8.011 876 2HG GLU 116 1HG GLU 116 -44.324 -23.003 -7.867 877 H LEU 117 H LEU 117 -41.326 -24.011 -3.947 878 HA LEU 117 HA LEU 117 -41.022 -21.616 -2.393 879 1HB LEU 117 2HB LEU 117 -41.678 -22.818 -0.597 880 2HB LEU 117 1HB LEU 117 -42.307 -23.852 -1.844 881 HG LEU 117 HG LEU 117 -39.989 -24.321 -0.009 882 1HD1 LEU 117 1HD1 LEU 117 -42.588 -25.598 -0.694 883 2HD1 LEU 117 2HD1 LEU 117 -41.889 -25.232 0.881 884 3HD1 LEU 117 3HD1 LEU 117 -41.276 -26.589 -0.062 885 1HD2 LEU 117 1HD2 LEU 117 -40.230 -25.202 -2.798 886 2HD2 LEU 117 2HD2 LEU 117 -39.954 -26.493 -1.628 887 3HD2 LEU 117 3HD2 LEU 117 -38.821 -25.152 -1.739 888 H ILE 118 H ILE 118 -38.866 -23.972 -3.679 889 HA ILE 118 HA ILE 118 -36.738 -23.194 -1.874 890 HB ILE 118 HB ILE 118 -36.893 -25.526 -2.758 891 1HG1 ILE 118 2HG1 ILE 118 -34.781 -24.377 -1.898 892 2HG1 ILE 118 1HG1 ILE 118 -34.563 -25.841 -2.848 893 1HG2 ILE 118 1HG2 ILE 118 -36.074 -26.017 -5.005 894 2HG2 ILE 118 2HG2 ILE 118 -36.000 -24.294 -5.359 895 3HG2 ILE 118 3HG2 ILE 118 -37.558 -25.067 -5.048 896 1HD1 ILE 118 1HD1 ILE 118 -33.207 -24.743 -4.199 897 2HD1 ILE 118 2HD1 ILE 118 -33.459 -23.268 -3.267 898 3HD1 ILE 118 3HD1 ILE 118 -34.513 -23.641 -4.629 899 H ALA 119 H ALA 119 -37.980 -22.317 -4.981 900 HA ALA 119 HA ALA 119 -35.602 -20.833 -5.730 901 1HB ALA 119 1HB ALA 119 -38.116 -21.620 -7.059 902 2HB ALA 119 2HB ALA 119 -36.467 -21.579 -7.679 903 3HB ALA 119 3HB ALA 119 -37.405 -20.090 -7.573 904 H LEU 120 H LEU 120 -38.821 -20.257 -4.478 905 HA LEU 120 HA LEU 120 -39.137 -17.559 -4.868 906 1HB LEU 120 2HB LEU 120 -40.719 -19.232 -3.769 907 2HB LEU 120 1HB LEU 120 -39.863 -18.896 -2.276 908 HG LEU 120 HG LEU 120 -40.455 -16.455 -2.630 909 1HD1 LEU 120 1HD1 LEU 120 -42.737 -16.516 -4.064 910 2HD1 LEU 120 2HD1 LEU 120 -41.766 -17.683 -4.960 911 3HD1 LEU 120 3HD1 LEU 120 -41.172 -16.039 -4.722 912 1HD2 LEU 120 1HD2 LEU 120 -42.966 -16.987 -2.068 913 2HD2 LEU 120 2HD2 LEU 120 -41.675 -17.407 -0.941 914 3HD2 LEU 120 3HD2 LEU 120 -42.369 -18.644 -1.990 915 H PHE 121 H PHE 121 -37.411 -19.130 -2.178 916 HA PHE 121 HA PHE 121 -36.826 -16.949 -0.630 917 1HB PHE 121 2HB PHE 121 -35.361 -19.480 -1.200 918 2HB PHE 121 1HB PHE 121 -34.539 -18.227 -0.275 919 HD1 PHE 121 1HD PHE 121 -35.477 -17.476 1.888 920 HD2 PHE 121 2HD PHE 121 -37.112 -20.760 -0.258 921 HE1 PHE 121 1HE PHE 121 -36.639 -18.218 3.920 922 HE2 PHE 121 2HE PHE 121 -38.277 -21.507 1.767 923 HZ PHE 121 HZ PHE 121 -38.040 -20.237 3.856 924 H ALA 122 H ALA 122 -34.394 -18.199 -2.941 925 HA ALA 122 HA ALA 122 -33.394 -15.449 -3.175 926 1HB ALA 122 1HB ALA 122 -32.110 -18.054 -3.078 927 2HB ALA 122 2HB ALA 122 -31.457 -16.453 -2.733 928 3HB ALA 122 3HB ALA 122 -31.515 -17.043 -4.394 929 HA PRO 123 HA PRO 123 -33.285 -17.053 -7.860 930 1HB PRO 123 2HB PRO 123 -35.378 -19.150 -7.418 931 2HB PRO 123 1HB PRO 123 -34.065 -19.104 -8.605 932 1HG PRO 123 2HG PRO 123 -33.840 -20.607 -6.431 933 2HG PRO 123 1HG PRO 123 -32.452 -19.686 -7.036 934 1HD PRO 123 2HD PRO 123 -34.188 -19.161 -4.674 935 2HD PRO 123 1HD PRO 123 -32.464 -18.823 -4.911 936 H ALA 124 H ALA 124 -34.724 -16.278 -9.439 937 HA ALA 124 HA ALA 124 -37.483 -15.904 -9.089 938 1HB ALA 124 1HB ALA 124 -37.280 -14.306 -7.460 939 2HB ALA 124 2HB ALA 124 -37.232 -13.291 -8.901 940 3HB ALA 124 3HB ALA 124 -35.734 -13.718 -8.074 941 H ASP 125 H ASP 125 -38.166 -13.852 -10.573 942 HA ASP 125 HA ASP 125 -36.759 -14.317 -13.108 943 1HB ASP 125 2HB ASP 125 -39.245 -14.803 -12.889 944 2HB ASP 125 1HB ASP 125 -39.483 -13.063 -12.760 945 H GLY 126 H GLY 126 -35.580 -12.552 -11.270 946 1HA GLY 126 2HA GLY 126 -36.242 -9.861 -12.200 947 2HA GLY 126 1HA GLY 126 -35.131 -10.266 -10.901 948 H GLU 127 H GLU 127 -34.666 -8.424 -13.055 949 HA GLU 127 HA GLU 127 -32.069 -9.257 -13.814 950 1HB GLU 127 2HB GLU 127 -33.615 -10.571 -15.393 951 2HB GLU 127 1HB GLU 127 -33.952 -9.021 -16.153 952 1HG GLU 127 2HG GLU 127 -31.205 -9.077 -16.042 953 2HG GLU 127 1HG GLU 127 -31.631 -10.753 -16.383 954 H LYS 128 H LYS 128 -33.280 -7.011 -12.567 955 HA LYS 128 HA LYS 128 -31.929 -4.914 -13.852 956 1HB LYS 128 2HB LYS 128 -34.655 -5.365 -14.745 957 2HB LYS 128 1HB LYS 128 -34.464 -3.762 -14.051 958 1HG LYS 128 2HG LYS 128 -32.472 -4.733 -16.042 959 2HG LYS 128 1HG LYS 128 -34.050 -4.169 -16.593 960 1HD LYS 128 2HD LYS 128 -33.437 -2.159 -14.943 961 2HD LYS 128 1HD LYS 128 -31.803 -2.663 -15.382 962 1HE LYS 128 2HE LYS 128 -32.517 -0.953 -16.908 963 2HE LYS 128 1HE LYS 128 -32.450 -2.488 -17.771 964 1HZ LYS 128 1HZ LYS 128 -34.472 -1.024 -18.144 965 2HZ LYS 128 2HZ LYS 128 -34.969 -1.484 -16.594 966 3HZ LYS 128 3HZ LYS 128 -34.762 -2.654 -17.798 967 H SER 129 H SER 129 -31.905 -3.004 -12.622 968 HA SER 129 HA SER 129 -33.467 -3.027 -10.138 969 1HB SER 129 2HB SER 129 -30.513 -3.140 -10.413 970 2HB SER 129 1HB SER 129 -31.149 -2.051 -9.179 971 HG SER 129 HG SER 129 -31.989 -4.743 -9.407 972 H GLU 130 H GLU 130 -33.713 -1.495 -12.599 973 HA GLU 130 HA GLU 130 -33.693 1.154 -11.405 974 1HB GLU 130 2HB GLU 130 -31.548 0.519 -12.930 975 2HB GLU 130 1HB GLU 130 -32.642 1.119 -14.169 976 1HG GLU 130 2HG GLU 130 -32.012 3.171 -13.650 977 2HG GLU 130 1HG GLU 130 -32.793 2.969 -12.082 978 H ALA 131 H ALA 131 -34.892 2.738 -12.756 979 HA ALA 131 HA ALA 131 -36.813 1.456 -14.576 980 1HB ALA 131 1HB ALA 131 -38.427 3.249 -13.416 981 2HB ALA 131 2HB ALA 131 -37.370 2.888 -12.051 982 3HB ALA 131 3HB ALA 131 -38.263 1.590 -12.842 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 28.874 -7.354 16.045 2 2H GLY 1 2HT GLY 1 30.340 -6.621 16.461 3 3H GLY 1 3HT GLY 1 28.880 -5.928 16.955 4 1HA GLY 1 1HA GLY 1 29.279 -8.670 17.796 5 2HA GLY 1 2HA GLY 1 30.389 -7.504 18.502 6 H SER 2 H SER 2 29.138 -5.379 19.173 7 HA SER 2 HA SER 2 26.549 -6.037 20.360 8 1HB SER 2 2HB SER 2 28.553 -6.494 21.961 9 2HB SER 2 1HB SER 2 28.639 -4.736 22.084 10 HG SER 2 HG SER 2 26.285 -6.244 22.561 11 H HIS 3 H HIS 3 25.692 -4.550 18.858 12 HA HIS 3 HA HIS 3 26.172 -1.743 19.595 13 1HB HIS 3 2HB HIS 3 27.140 -2.633 17.299 14 2HB HIS 3 1HB HIS 3 25.477 -2.401 16.766 15 HD1 HIS 3 1HD HIS 3 28.185 -0.369 18.507 16 HD2 HIS 3 2HD HIS 3 24.980 0.115 15.907 17 HE1 HIS 3 1HE HIS 3 28.214 2.057 17.848 18 HE2 HIS 3 2HE HIS 3 26.212 2.346 16.348 19 H MET 4 H MET 4 23.942 -4.189 18.440 20 HA MET 4 HA MET 4 21.678 -4.360 18.671 21 1HB MET 4 2HB MET 4 22.150 -2.953 20.797 22 2HB MET 4 1HB MET 4 21.546 -1.599 19.851 23 1HG MET 4 2HG MET 4 19.788 -2.521 21.221 24 2HG MET 4 1HG MET 4 19.432 -2.779 19.514 25 1HE MET 4 1HE MET 4 18.093 -4.284 19.183 26 2HE MET 4 2HE MET 4 17.671 -5.592 20.290 27 3HE MET 4 3HE MET 4 18.699 -5.916 18.894 28 H ASP 5 H ASP 5 19.780 -3.672 17.562 29 HA ASP 5 HA ASP 5 20.401 -2.081 15.215 30 1HB ASP 5 2HB ASP 5 18.253 -2.901 14.352 31 2HB ASP 5 1HB ASP 5 19.257 -4.228 14.927 32 H LYS 6 H LYS 6 18.193 -0.895 14.423 33 HA LYS 6 HA LYS 6 16.625 0.463 16.297 34 1HB LYS 6 2HB LYS 6 19.166 1.388 16.498 35 2HB LYS 6 1HB LYS 6 18.539 2.464 15.257 36 1HG LYS 6 2HG LYS 6 16.789 2.116 17.587 37 2HG LYS 6 1HG LYS 6 18.336 2.898 17.919 38 1HD LYS 6 2HD LYS 6 16.859 3.833 15.532 39 2HD LYS 6 1HD LYS 6 16.159 4.234 17.101 40 1HE LYS 6 2HE LYS 6 18.302 5.224 17.785 41 2HE LYS 6 1HE LYS 6 18.971 4.850 16.197 42 1HZ LYS 6 1HZ LYS 6 17.045 6.235 15.310 43 2HZ LYS 6 2HZ LYS 6 18.317 7.064 16.053 44 3HZ LYS 6 3HZ LYS 6 16.871 6.808 16.892 45 H THR 7 H THR 7 18.312 0.685 13.208 46 HA THR 7 HA THR 7 15.875 1.839 12.011 47 HB THR 7 HB THR 7 18.068 2.098 10.230 48 HG1 THR 7 1HG THR 7 19.519 3.254 11.481 49 1HG2 THR 7 1HG2 THR 7 15.991 3.593 10.824 50 2HG2 THR 7 2HG2 THR 7 17.461 4.276 10.123 51 3HG2 THR 7 3HG2 THR 7 17.171 4.399 11.858 52 H PHE 8 H PHE 8 14.995 0.865 10.204 53 HA PHE 8 HA PHE 8 16.376 -1.443 9.064 54 1HB PHE 8 2HB PHE 8 14.076 -2.669 9.229 55 2HB PHE 8 1HB PHE 8 15.179 -2.679 10.599 56 HD1 PHE 8 2HD PHE 8 13.202 0.301 9.707 57 HD2 PHE 8 1HD PHE 8 13.471 -3.144 12.196 58 HE1 PHE 8 2HE PHE 8 11.433 1.206 11.148 59 HE2 PHE 8 1HE PHE 8 11.697 -2.242 13.641 60 HZ PHE 8 HZ PHE 8 10.677 -0.064 13.120 61 H CYS 9 H CYS 9 15.775 -2.018 7.013 62 HA CYS 9 HA CYS 9 14.135 -0.048 5.588 63 1HB CYS 9 2HB CYS 9 15.106 -1.123 3.541 64 2HB CYS 9 1HB CYS 9 16.315 -0.418 4.608 65 HG CYS 9 HG CYS 9 17.364 -2.616 4.847 66 H VAL 10 H VAL 10 12.109 -0.585 4.963 67 HA VAL 10 HA VAL 10 11.326 -3.417 5.160 68 HB VAL 10 HB VAL 10 10.173 -1.181 6.339 69 1HG1 VAL 10 1HG1 VAL 10 8.002 -0.887 5.435 70 2HG1 VAL 10 2HG1 VAL 10 8.238 -2.191 4.272 71 3HG1 VAL 10 3HG1 VAL 10 9.140 -0.685 4.105 72 1HG2 VAL 10 1HG2 VAL 10 8.849 -2.706 7.418 73 2HG2 VAL 10 2HG2 VAL 10 10.139 -3.741 6.809 74 3HG2 VAL 10 3HG2 VAL 10 8.594 -3.670 5.964 75 H VAL 11 H VAL 11 9.953 -4.324 3.602 76 HA VAL 11 HA VAL 11 9.622 -2.782 1.143 77 HB VAL 11 HB VAL 11 11.628 -4.010 0.802 78 1HG1 VAL 11 1HG1 VAL 11 11.531 -6.553 0.868 79 2HG1 VAL 11 2HG1 VAL 11 10.064 -6.345 1.827 80 3HG1 VAL 11 3HG1 VAL 11 11.596 -5.691 2.406 81 1HG2 VAL 11 1HG2 VAL 11 11.113 -4.675 -1.286 82 2HG2 VAL 11 2HG2 VAL 11 9.487 -4.122 -0.878 83 3HG2 VAL 11 3HG2 VAL 11 9.904 -5.830 -0.724 84 H VAL 12 H VAL 12 7.716 -2.999 0.209 85 HA VAL 12 HA VAL 12 5.824 -4.930 1.336 86 HB VAL 12 HB VAL 12 4.127 -3.518 0.068 87 1HG1 VAL 12 1HG1 VAL 12 4.050 -3.073 2.302 88 2HG1 VAL 12 2HG1 VAL 12 4.619 -1.506 1.725 89 3HG1 VAL 12 3HG1 VAL 12 5.764 -2.670 2.392 90 1HG2 VAL 12 1HG2 VAL 12 4.711 -1.667 -1.078 91 2HG2 VAL 12 2HG2 VAL 12 6.261 -2.496 -1.230 92 3HG2 VAL 12 3HG2 VAL 12 6.032 -1.273 0.020 93 H GLN 13 H GLN 13 5.915 -6.817 0.284 94 HA GLN 13 HA GLN 13 6.018 -6.791 -2.651 95 1HB GLN 13 2HB GLN 13 7.522 -8.237 -0.906 96 2HB GLN 13 1HB GLN 13 6.227 -9.376 -1.249 97 1HG GLN 13 2HG GLN 13 6.941 -9.757 -3.336 98 2HG GLN 13 1HG GLN 13 7.357 -8.065 -3.613 99 1HE2 GLN 13 1HE2 GLN 13 9.189 -7.533 -1.733 100 2HE2 GLN 13 2HE2 GLN 13 10.587 -8.530 -1.933 101 H ASN 14 H ASN 14 4.018 -6.719 -3.484 102 HA ASN 14 HA ASN 14 2.073 -8.689 -2.491 103 1HB ASN 14 2HB ASN 14 1.811 -5.834 -2.430 104 2HB ASN 14 1HB ASN 14 0.619 -6.494 -3.546 105 1HD2 ASN 14 1HD2 ASN 14 1.999 -7.592 -0.464 106 2HD2 ASN 14 2HD2 ASN 14 0.480 -7.832 0.321 107 H ARG 15 H ARG 15 0.727 -9.611 -4.000 108 HA ARG 15 HA ARG 15 1.120 -8.898 -6.816 109 1HB ARG 15 2HB ARG 15 1.216 -11.392 -7.324 110 2HB ARG 15 1HB ARG 15 2.659 -10.683 -6.612 111 1HG ARG 15 2HG ARG 15 0.744 -11.767 -4.675 112 2HG ARG 15 1HG ARG 15 1.471 -12.959 -5.754 113 1HD ARG 15 2HD ARG 15 3.685 -11.682 -5.122 114 2HD ARG 15 1HD ARG 15 2.748 -11.212 -3.705 115 HE ARG 15 HE ARG 15 2.928 -13.351 -2.918 116 1HH1 ARG 15 1HH1 ARG 15 3.781 -13.321 -6.302 117 2HH1 ARG 15 2HH1 ARG 15 4.330 -14.963 -6.307 118 1HH2 ARG 15 1HH2 ARG 15 3.650 -15.511 -2.923 119 2HH2 ARG 15 2HH2 ARG 15 4.256 -16.208 -4.388 120 H ILE 16 H ILE 16 -0.988 -8.006 -6.643 121 HA ILE 16 HA ILE 16 -3.108 -10.047 -6.586 122 HB ILE 16 HB ILE 16 -3.369 -7.214 -5.570 123 1HG1 ILE 16 2HG1 ILE 16 -3.461 -9.739 -3.929 124 2HG1 ILE 16 1HG1 ILE 16 -1.960 -8.856 -4.197 125 1HG2 ILE 16 1HG2 ILE 16 -5.289 -9.528 -5.646 126 2HG2 ILE 16 2HG2 ILE 16 -5.456 -7.960 -6.438 127 3HG2 ILE 16 3HG2 ILE 16 -5.537 -8.074 -4.681 128 1HD1 ILE 16 1HD1 ILE 16 -2.757 -8.111 -2.133 129 2HD1 ILE 16 2HD1 ILE 16 -4.412 -7.966 -2.724 130 3HD1 ILE 16 3HD1 ILE 16 -3.177 -6.829 -3.268 131 H LYS 17 H LYS 17 -2.673 -6.615 -7.551 132 HA LYS 17 HA LYS 17 -3.674 -7.303 -10.205 133 1HB LYS 17 2HB LYS 17 -4.828 -5.009 -8.610 134 2HB LYS 17 1HB LYS 17 -5.307 -5.518 -10.221 135 1HG LYS 17 2HG LYS 17 -5.604 -7.774 -8.595 136 2HG LYS 17 1HG LYS 17 -6.237 -6.421 -7.661 137 1HD LYS 17 2HD LYS 17 -8.017 -6.184 -9.002 138 2HD LYS 17 1HD LYS 17 -7.058 -6.398 -10.467 139 1HE LYS 17 2HE LYS 17 -7.347 -8.674 -10.490 140 2HE LYS 17 1HE LYS 17 -7.578 -8.770 -8.745 141 1HZ LYS 17 1HZ LYS 17 -9.714 -7.364 -9.413 142 2HZ LYS 17 2HZ LYS 17 -9.710 -9.055 -9.378 143 3HZ LYS 17 3HZ LYS 17 -9.519 -8.240 -10.848 144 H GLU 18 H GLU 18 -3.310 -4.113 -8.727 145 HA GLU 18 HA GLU 18 -0.780 -3.358 -9.268 146 1HB GLU 18 2HB GLU 18 -0.962 -2.242 -11.539 147 2HB GLU 18 1HB GLU 18 -0.829 -3.993 -11.555 148 1HG GLU 18 2HG GLU 18 -3.323 -4.086 -11.791 149 2HG GLU 18 1HG GLU 18 -3.296 -2.336 -12.006 150 H GLY 19 H GLY 19 -4.114 -2.616 -9.090 151 1HA GLY 19 2HA GLY 19 -3.437 0.186 -8.457 152 2HA GLY 19 1HA GLY 19 -4.901 -0.241 -9.331 153 H TYR 20 H TYR 20 -3.372 -1.717 -6.491 154 HA TYR 20 HA TYR 20 -5.932 -1.488 -5.081 155 1HB TYR 20 2HB TYR 20 -4.658 -3.728 -5.417 156 2HB TYR 20 1HB TYR 20 -3.603 -3.136 -4.138 157 HD1 TYR 20 2HD TYR 20 -7.297 -2.790 -4.489 158 HD2 TYR 20 1HD TYR 20 -4.070 -4.508 -2.312 159 HE1 TYR 20 2HE TYR 20 -8.884 -3.625 -2.807 160 HE2 TYR 20 1HE TYR 20 -5.648 -5.350 -0.626 161 HH TYR 20 HH TYR 20 -8.459 -5.927 -0.860 162 H ARG 21 H ARG 21 -3.991 0.704 -5.390 163 HA ARG 21 HA ARG 21 -3.142 2.404 -4.143 164 1HB ARG 21 2HB ARG 21 -4.681 1.119 -1.892 165 2HB ARG 21 1HB ARG 21 -4.118 2.784 -1.951 166 1HG ARG 21 2HG ARG 21 -6.394 1.489 -3.348 167 2HG ARG 21 1HG ARG 21 -6.317 3.035 -2.505 168 1HD ARG 21 2HD ARG 21 -4.678 3.656 -4.461 169 2HD ARG 21 1HD ARG 21 -5.508 2.340 -5.292 170 HE ARG 21 HE ARG 21 -7.282 4.262 -4.092 171 1HH1 ARG 21 1HH1 ARG 21 -5.415 3.471 -6.932 172 2HH1 ARG 21 2HH1 ARG 21 -6.387 4.435 -7.992 173 1HH2 ARG 21 1HH2 ARG 21 -8.561 5.530 -5.483 174 2HH2 ARG 21 2HH2 ARG 21 -8.174 5.604 -7.169 175 H ARG 22 H ARG 22 -2.063 2.804 -1.803 176 HA ARG 22 HA ARG 22 -0.690 0.642 -0.653 177 1HB ARG 22 2HB ARG 22 0.423 0.894 -2.951 178 2HB ARG 22 1HB ARG 22 1.140 2.361 -2.306 179 1HG ARG 22 2HG ARG 22 1.459 -0.379 -1.102 180 2HG ARG 22 1HG ARG 22 2.628 0.404 -2.165 181 1HD ARG 22 2HD ARG 22 3.521 1.019 -0.171 182 2HD ARG 22 1HD ARG 22 2.373 2.343 -0.361 183 HE ARG 22 HE ARG 22 1.365 1.596 1.532 184 1HH1 ARG 22 1HH1 ARG 22 2.933 -1.129 0.017 185 2HH1 ARG 22 2HH1 ARG 22 2.464 -2.244 1.254 186 1HH2 ARG 22 1HH2 ARG 22 0.742 0.127 3.156 187 2HH2 ARG 22 2HH2 ARG 22 1.220 -1.534 3.034 188 H ALA 23 H ALA 23 0.746 3.796 -1.384 189 HA ALA 23 HA ALA 23 0.849 4.356 1.479 190 1HB ALA 23 1HB ALA 23 2.079 5.972 -0.746 191 2HB ALA 23 2HB ALA 23 2.870 4.572 -0.017 192 3HB ALA 23 3HB ALA 23 2.500 5.986 0.968 193 H GLY 24 H GLY 24 -0.298 5.746 -1.537 194 1HA GLY 24 2HA GLY 24 -2.637 6.862 -0.563 195 2HA GLY 24 1HA GLY 24 -1.405 8.110 -0.403 196 H PHE 25 H PHE 25 -1.640 5.632 -2.874 197 HA PHE 25 HA PHE 25 -2.724 7.347 -4.875 198 1HB PHE 25 2HB PHE 25 -0.797 7.695 -6.229 199 2HB PHE 25 1HB PHE 25 -0.354 8.187 -4.600 200 HD1 PHE 25 2HD PHE 25 0.218 5.509 -3.384 201 HD2 PHE 25 1HD PHE 25 1.238 7.147 -7.182 202 HE1 PHE 25 2HE PHE 25 2.192 4.053 -3.481 203 HE2 PHE 25 1HE PHE 25 3.215 5.690 -7.280 204 HZ PHE 25 HZ PHE 25 3.695 4.142 -5.427 205 H SER 26 H SER 26 -1.519 6.034 -7.116 206 HA SER 26 HA SER 26 -2.750 3.395 -6.776 207 1HB SER 26 2HB SER 26 -2.015 4.219 -9.503 208 2HB SER 26 1HB SER 26 -3.535 3.566 -8.890 209 HG SER 26 HG SER 26 -2.662 6.222 -9.041 210 H PHE 27 H PHE 27 -0.824 2.561 -5.695 211 HA PHE 27 HA PHE 27 1.626 2.385 -7.190 212 1HB PHE 27 2HB PHE 27 1.437 2.393 -4.633 213 2HB PHE 27 1HB PHE 27 0.941 0.710 -4.779 214 HD1 PHE 27 1HD PHE 27 3.511 2.609 -6.674 215 HD2 PHE 27 2HD PHE 27 2.717 -0.549 -3.922 216 HE1 PHE 27 1HE PHE 27 5.867 1.922 -6.789 217 HE2 PHE 27 2HE PHE 27 5.075 -1.236 -4.040 218 HZ PHE 27 HZ PHE 27 6.652 -0.003 -5.471 219 H HIS 28 H HIS 28 2.563 0.459 -8.019 220 HA HIS 28 HA HIS 28 0.578 -1.442 -9.010 221 1HB HIS 28 2HB HIS 28 3.451 -0.892 -9.760 222 2HB HIS 28 1HB HIS 28 2.542 -2.253 -10.410 223 HD1 HIS 28 1HD HIS 28 2.480 -1.423 -12.810 224 HD2 HIS 28 2HD HIS 28 0.938 1.312 -10.087 225 HE1 HIS 28 1HE HIS 28 1.376 0.359 -14.198 226 HE2 HIS 28 2HE HIS 28 0.366 1.951 -12.527 227 H LEU 29 H LEU 29 1.230 -1.552 -6.263 228 HA LEU 29 HA LEU 29 1.940 -2.908 -4.594 229 1HB LEU 29 2HB LEU 29 0.930 -4.712 -6.732 230 2HB LEU 29 1HB LEU 29 1.724 -5.442 -5.345 231 HG LEU 29 HG LEU 29 0.106 -4.516 -3.837 232 1HD1 LEU 29 1HD1 LEU 29 -0.559 -2.440 -4.421 233 2HD1 LEU 29 2HD1 LEU 29 -1.900 -3.319 -5.157 234 3HD1 LEU 29 3HD1 LEU 29 -0.538 -2.799 -6.147 235 1HD2 LEU 29 1HD2 LEU 29 -1.166 -6.263 -4.331 236 2HD2 LEU 29 2HD2 LEU 29 -0.583 -6.257 -5.994 237 3HD2 LEU 29 3HD2 LEU 29 -1.992 -5.293 -5.549 238 H GLY 30 H GLY 30 3.182 -5.115 -7.090 239 1HA GLY 30 2HA GLY 30 5.273 -6.109 -7.178 240 2HA GLY 30 1HA GLY 30 5.754 -4.438 -7.415 241 H ASP 31 H ASP 31 7.606 -4.306 -6.327 242 HA ASP 31 HA ASP 31 7.495 -4.768 -3.435 243 1HB ASP 31 2HB ASP 31 10.030 -5.473 -3.788 244 2HB ASP 31 1HB ASP 31 8.723 -6.647 -3.875 245 H ASN 32 H ASN 32 7.897 -2.920 -2.459 246 HA ASN 32 HA ASN 32 9.856 -1.076 -3.677 247 1HB ASN 32 2HB ASN 32 7.479 -0.258 -3.706 248 2HB ASN 32 1HB ASN 32 7.499 -0.298 -1.946 249 1HD2 ASN 32 1HD2 ASN 32 7.247 1.902 -3.963 250 2HD2 ASN 32 2HD2 ASN 32 8.437 3.062 -3.491 251 H SER 33 H SER 33 11.593 -0.609 -2.453 252 HA SER 33 HA SER 33 11.707 -1.704 0.227 253 1HB SER 33 2HB SER 33 14.122 -0.612 -0.007 254 2HB SER 33 1HB SER 33 13.724 -2.167 -0.740 255 HG SER 33 HG SER 33 14.671 -0.927 -2.316 256 H LEU 34 H LEU 34 12.102 -0.605 2.070 257 HA LEU 34 HA LEU 34 11.573 2.289 1.981 258 1HB LEU 34 2HB LEU 34 9.794 1.156 3.104 259 2HB LEU 34 1HB LEU 34 10.901 0.174 4.031 260 HG LEU 34 HG LEU 34 9.635 2.082 5.173 261 1HD1 LEU 34 1HD1 LEU 34 11.756 2.481 6.567 262 2HD1 LEU 34 2HD1 LEU 34 12.517 1.351 5.444 263 3HD1 LEU 34 3HD1 LEU 34 11.143 0.836 6.413 264 1HD2 LEU 34 1HD2 LEU 34 10.960 3.622 3.291 265 2HD2 LEU 34 2HD2 LEU 34 11.880 3.866 4.775 266 3HD2 LEU 34 3HD2 LEU 34 10.151 4.203 4.745 267 H ALA 35 H ALA 35 12.918 3.671 3.112 268 HA ALA 35 HA ALA 35 15.577 2.824 3.569 269 1HB ALA 35 1HB ALA 35 14.086 5.374 3.751 270 2HB ALA 35 2HB ALA 35 15.580 4.990 2.895 271 3HB ALA 35 3HB ALA 35 15.603 5.248 4.640 272 H ALA 36 H ALA 36 16.744 3.030 5.567 273 HA ALA 36 HA ALA 36 15.380 1.750 7.697 274 1HB ALA 36 1HB ALA 36 17.958 2.997 8.340 275 2HB ALA 36 2HB ALA 36 17.976 1.909 6.953 276 3HB ALA 36 3HB ALA 36 17.426 1.326 8.524 277 H VAL 37 H VAL 37 14.026 2.668 9.019 278 HA VAL 37 HA VAL 37 14.645 5.319 10.118 279 HB VAL 37 HB VAL 37 12.587 6.218 9.680 280 1HG1 VAL 37 1HG1 VAL 37 12.178 6.018 7.458 281 2HG1 VAL 37 2HG1 VAL 37 12.157 4.255 7.507 282 3HG1 VAL 37 3HG1 VAL 37 13.696 5.121 7.523 283 1HG2 VAL 37 1HG2 VAL 37 11.039 4.956 10.795 284 2HG2 VAL 37 2HG2 VAL 37 11.564 3.449 10.047 285 3HG2 VAL 37 3HG2 VAL 37 10.582 4.592 9.132 286 H SER 38 H SER 38 12.616 5.617 11.889 287 HA SER 38 HA SER 38 13.399 3.927 14.016 288 1HB SER 38 2HB SER 38 12.160 6.366 13.835 289 2HB SER 38 1HB SER 38 10.837 5.327 14.362 290 HG SER 38 HG SER 38 12.352 4.581 16.027 291 H GLU 39 H GLU 39 10.060 4.351 12.827 292 HA GLU 39 HA GLU 39 9.672 1.517 12.537 293 1HB GLU 39 2HB GLU 39 9.497 2.192 15.072 294 2HB GLU 39 1HB GLU 39 7.898 2.747 14.600 295 1HG GLU 39 2HG GLU 39 8.118 0.208 13.492 296 2HG GLU 39 1HG GLU 39 8.852 0.072 15.090 297 H SER 40 H SER 40 8.603 4.764 12.189 298 HA SER 40 HA SER 40 5.977 4.683 11.552 299 1HB SER 40 2HB SER 40 6.506 6.428 9.783 300 2HB SER 40 1HB SER 40 7.125 6.762 11.400 301 HG SER 40 HG SER 40 8.640 7.066 9.610 302 H GLN 41 H GLN 41 8.610 3.502 9.527 303 HA GLN 41 HA GLN 41 7.183 3.059 7.168 304 1HB GLN 41 2HB GLN 41 8.915 1.138 6.878 305 2HB GLN 41 1HB GLN 41 9.426 2.815 6.844 306 1HG GLN 41 2HG GLN 41 11.025 1.745 8.138 307 2HG GLN 41 1HG GLN 41 9.979 2.527 9.313 308 1HE2 GLN 41 1HE2 GLN 41 10.897 -0.505 7.860 309 2HE2 GLN 41 2HE2 GLN 41 10.258 -1.521 9.101 310 H LEU 42 H LEU 42 7.620 0.976 9.976 311 HA LEU 42 HA LEU 42 6.266 -1.256 8.844 312 1HB LEU 42 2HB LEU 42 7.868 -1.538 10.646 313 2HB LEU 42 1HB LEU 42 6.882 -0.555 11.713 314 HG LEU 42 HG LEU 42 5.081 -2.447 11.133 315 1HD1 LEU 42 1HD1 LEU 42 7.357 -4.272 11.402 316 2HD1 LEU 42 2HD1 LEU 42 7.234 -3.478 9.831 317 3HD1 LEU 42 3HD1 LEU 42 5.880 -4.425 10.448 318 1HD2 LEU 42 1HD2 LEU 42 5.528 -1.960 13.368 319 2HD2 LEU 42 2HD2 LEU 42 7.233 -2.385 13.219 320 3HD2 LEU 42 3HD2 LEU 42 6.004 -3.651 13.206 321 H ALA 43 H ALA 43 5.247 1.545 10.647 322 HA ALA 43 HA ALA 43 2.591 0.459 11.093 323 1HB ALA 43 1HB ALA 43 4.109 2.815 12.020 324 2HB ALA 43 2HB ALA 43 3.064 1.709 12.912 325 3HB ALA 43 3HB ALA 43 2.356 2.984 11.921 326 H GLN 44 H GLN 44 4.222 2.624 8.895 327 HA GLN 44 HA GLN 44 1.895 3.924 7.903 328 1HB GLN 44 2HB GLN 44 4.750 3.777 7.190 329 2HB GLN 44 1HB GLN 44 3.670 4.075 5.835 330 1HG GLN 44 2HG GLN 44 3.635 5.696 8.365 331 2HG GLN 44 1HG GLN 44 4.599 6.115 6.950 332 1HE2 GLN 44 1HE2 GLN 44 1.737 6.637 8.490 333 2HE2 GLN 44 2HE2 GLN 44 0.803 7.232 7.165 334 H LEU 45 H LEU 45 3.817 1.170 6.758 335 HA LEU 45 HA LEU 45 2.050 0.663 4.549 336 1HB LEU 45 2HB LEU 45 4.225 -1.086 5.688 337 2HB LEU 45 1HB LEU 45 3.466 -1.258 4.115 338 1HD1 LEU 45 1HD1 LEU 45 6.949 0.071 4.053 339 2HD1 LEU 45 2HD1 LEU 45 6.005 -0.537 2.695 340 3HD1 LEU 45 3HD1 LEU 45 6.025 -1.421 4.221 341 1HD2 LEU 45 1HD2 LEU 45 4.030 0.520 2.281 342 2HD2 LEU 45 2HD2 LEU 45 4.958 1.928 2.798 343 3HD2 LEU 45 3HD2 LEU 45 3.341 1.650 3.446 344 H LYS 46 H LYS 46 2.436 -0.513 7.813 345 HA LYS 46 HA LYS 46 0.616 -2.729 7.432 346 1HB LYS 46 2HB LYS 46 2.558 -2.762 9.037 347 2HB LYS 46 1HB LYS 46 1.668 -1.621 10.036 348 1HG LYS 46 2HG LYS 46 -0.214 -3.414 9.938 349 2HG LYS 46 1HG LYS 46 1.104 -4.498 9.489 350 1HD LYS 46 2HD LYS 46 2.090 -3.055 11.655 351 2HD LYS 46 1HD LYS 46 0.412 -3.401 12.078 352 1HE LYS 46 2HE LYS 46 0.771 -5.767 11.684 353 2HE LYS 46 1HE LYS 46 2.425 -5.451 11.160 354 1HZ LYS 46 1HZ LYS 46 1.452 -4.733 13.863 355 2HZ LYS 46 2HZ LYS 46 3.052 -4.836 13.325 356 3HZ LYS 46 3HZ LYS 46 2.132 -6.242 13.516 357 H ALA 47 H ALA 47 0.338 0.595 8.115 358 HA ALA 47 HA ALA 47 -1.755 0.842 9.862 359 1HB ALA 47 1HB ALA 47 -2.407 2.793 8.154 360 2HB ALA 47 2HB ALA 47 -0.784 2.428 7.566 361 3HB ALA 47 3HB ALA 47 -1.030 2.895 9.249 362 H ASP 48 H ASP 48 -1.921 -0.013 6.434 363 HA ASP 48 HA ASP 48 -4.778 -0.627 6.819 364 1HB ASP 48 2HB ASP 48 -3.786 1.228 5.073 365 2HB ASP 48 1HB ASP 48 -3.883 -0.201 4.047 366 HA PRO 49 HA PRO 49 -3.602 -4.736 5.625 367 1HB PRO 49 2HB PRO 49 -6.019 -5.859 5.483 368 2HB PRO 49 1HB PRO 49 -5.366 -5.292 7.024 369 1HG PRO 49 2HG PRO 49 -7.380 -4.007 5.231 370 2HG PRO 49 1HG PRO 49 -7.351 -4.098 7.001 371 1HD PRO 49 2HD PRO 49 -6.526 -1.912 5.501 372 2HD PRO 49 1HD PRO 49 -6.050 -2.236 7.179 373 H ARG 50 H ARG 50 -3.353 -3.049 3.455 374 HA ARG 50 HA ARG 50 -4.935 -4.238 1.298 375 1HB ARG 50 2HB ARG 50 -3.697 -1.661 1.754 376 2HB ARG 50 1HB ARG 50 -3.188 -2.333 0.213 377 1HG ARG 50 2HG ARG 50 -5.158 -0.906 -0.009 378 2HG ARG 50 1HG ARG 50 -5.494 -2.572 -0.481 379 1HD ARG 50 2HD ARG 50 -6.222 -2.771 2.049 380 2HD ARG 50 1HD ARG 50 -6.444 -1.031 1.880 381 HE ARG 50 HE ARG 50 -7.755 -2.015 -0.263 382 1HH1 ARG 50 1HH1 ARG 50 -7.888 -2.760 3.144 383 2HH1 ARG 50 2HH1 ARG 50 -9.556 -3.226 3.105 384 1HH2 ARG 50 1HH2 ARG 50 -9.948 -2.625 -0.316 385 2HH2 ARG 50 2HH2 ARG 50 -10.725 -3.151 1.140 386 H LEU 51 H LEU 51 -1.548 -3.584 2.150 387 HA LEU 51 HA LEU 51 -0.773 -5.888 0.486 388 1HB LEU 51 2HB LEU 51 1.087 -3.577 0.917 389 2HB LEU 51 1HB LEU 51 1.124 -4.800 -0.336 390 HG LEU 51 HG LEU 51 0.492 -2.889 -1.481 391 1HD1 LEU 51 1HD1 LEU 51 -1.365 -4.935 -1.217 392 2HD1 LEU 51 2HD1 LEU 51 -1.280 -3.735 -2.505 393 3HD1 LEU 51 3HD1 LEU 51 -2.312 -3.454 -1.105 394 1HD2 LEU 51 1HD2 LEU 51 -1.569 -1.550 -0.495 395 2HD2 LEU 51 2HD2 LEU 51 0.089 -1.202 -0.013 396 3HD2 LEU 51 3HD2 LEU 51 -0.939 -2.188 1.021 397 H VAL 52 H VAL 52 1.853 -6.159 1.204 398 HA VAL 52 HA VAL 52 1.638 -6.683 4.091 399 HB VAL 52 HB VAL 52 2.986 -8.585 3.854 400 1HG1 VAL 52 1HG1 VAL 52 1.527 -9.884 2.763 401 2HG1 VAL 52 2HG1 VAL 52 1.753 -9.021 1.242 402 3HG1 VAL 52 3HG1 VAL 52 0.647 -8.386 2.460 403 1HG2 VAL 52 1HG2 VAL 52 3.811 -7.410 1.218 404 2HG2 VAL 52 2HG2 VAL 52 4.042 -9.122 1.571 405 3HG2 VAL 52 3HG2 VAL 52 4.820 -7.902 2.578 406 H VAL 53 H VAL 53 3.280 -6.158 5.477 407 HA VAL 53 HA VAL 53 5.606 -4.744 4.353 408 HB VAL 53 HB VAL 53 4.181 -2.985 5.099 409 1HG1 VAL 53 1HG1 VAL 53 2.700 -3.202 6.741 410 2HG1 VAL 53 2HG1 VAL 53 3.983 -3.498 7.914 411 3HG1 VAL 53 3HG1 VAL 53 3.291 -4.843 7.007 412 1HG2 VAL 53 1HG2 VAL 53 5.530 -1.941 6.867 413 2HG2 VAL 53 2HG2 VAL 53 6.528 -2.680 5.612 414 3HG2 VAL 53 3HG2 VAL 53 6.316 -3.492 7.163 415 H GLN 54 H GLN 54 7.388 -5.755 4.952 416 HA GLN 54 HA GLN 54 7.468 -6.998 7.627 417 1HB GLN 54 2HB GLN 54 7.940 -8.195 4.990 418 2HB GLN 54 1HB GLN 54 9.202 -8.536 6.166 419 1HG GLN 54 2HG GLN 54 7.937 -10.040 7.179 420 2HG GLN 54 1HG GLN 54 6.620 -8.884 7.366 421 1HE2 GLN 54 1HE2 GLN 54 8.154 -10.856 4.845 422 2HE2 GLN 54 2HE2 GLN 54 6.679 -11.341 4.086 423 H ILE 55 H ILE 55 9.219 -6.639 8.844 424 HA ILE 55 HA ILE 55 11.228 -4.779 7.857 425 HB ILE 55 HB ILE 55 12.019 -4.763 10.218 426 1HG1 ILE 55 2HG1 ILE 55 9.673 -5.930 11.405 427 2HG1 ILE 55 1HG1 ILE 55 10.457 -7.119 10.371 428 1HG2 ILE 55 1HG2 ILE 55 9.149 -4.213 10.512 429 2HG2 ILE 55 2HG2 ILE 55 9.915 -3.473 9.106 430 3HG2 ILE 55 3HG2 ILE 55 10.540 -3.148 10.723 431 1HD1 ILE 55 1HD1 ILE 55 11.935 -7.509 11.962 432 2HD1 ILE 55 2HD1 ILE 55 11.173 -6.288 12.980 433 3HD1 ILE 55 3HD1 ILE 55 12.473 -5.831 11.881 434 H THR 56 H THR 56 13.095 -5.454 7.041 435 HA THR 56 HA THR 56 14.177 -8.038 7.951 436 HB THR 56 HB THR 56 15.126 -8.343 5.705 437 HG1 THR 56 1HG THR 56 13.745 -5.937 5.133 438 1HG2 THR 56 1HG2 THR 56 13.280 -9.461 5.243 439 2HG2 THR 56 2HG2 THR 56 12.586 -7.976 4.592 440 3HG2 THR 56 3HG2 THR 56 12.328 -8.402 6.284 441 H GLU 57 H GLU 57 15.758 -7.494 9.317 442 HA GLU 57 HA GLU 57 17.338 -5.148 9.092 443 1HB GLU 57 2HB GLU 57 16.840 -6.964 11.081 444 2HB GLU 57 1HB GLU 57 18.493 -7.364 10.638 445 1HG GLU 57 2HG GLU 57 19.280 -5.233 11.199 446 2HG GLU 57 1HG GLU 57 17.656 -4.546 11.220 447 H THR 58 H THR 58 18.343 -8.565 8.852 448 HA THR 58 HA THR 58 20.566 -7.706 7.137 449 HB THR 58 HB THR 58 21.238 -10.216 7.620 450 HG1 THR 58 1HG THR 58 19.686 -9.594 9.905 451 1HG2 THR 58 1HG2 THR 58 22.538 -9.567 9.501 452 2HG2 THR 58 2HG2 THR 58 21.471 -8.203 9.837 453 3HG2 THR 58 3HG2 THR 58 22.477 -8.201 8.388 454 H GLY 59 H GLY 59 20.688 -8.291 5.052 455 1HA GLY 59 2HA GLY 59 19.758 -10.600 3.860 456 2HA GLY 59 1HA GLY 59 18.418 -9.466 3.788 457 H SER 60 H SER 60 20.006 -7.104 3.461 458 HA SER 60 HA SER 60 21.288 -7.581 0.859 459 1HB SER 60 2HB SER 60 20.159 -5.708 -0.138 460 2HB SER 60 1HB SER 60 18.928 -6.743 0.587 461 HG SER 60 HG SER 60 20.000 -4.346 1.661 462 H GLN 61 H GLN 61 23.100 -6.410 0.464 463 HA GLN 61 HA GLN 61 24.436 -5.193 2.631 464 1HB GLN 61 2HB GLN 61 25.176 -6.176 0.170 465 2HB GLN 61 1HB GLN 61 25.413 -4.445 -0.031 466 1HG GLN 61 2HG GLN 61 27.414 -4.791 0.874 467 2HG GLN 61 1HG GLN 61 26.553 -4.902 2.409 468 1HE2 GLN 61 1HE2 GLN 61 29.038 -6.167 1.604 469 2HE2 GLN 61 2HE2 GLN 61 28.792 -7.869 1.763 470 H GLU 62 H GLU 62 25.348 -2.961 2.573 471 HA GLU 62 HA GLU 62 23.631 -1.001 1.251 472 1HB GLU 62 2HB GLU 62 23.525 -1.631 4.061 473 2HB GLU 62 1HB GLU 62 24.064 0.029 3.839 474 1HG GLU 62 2HG GLU 62 22.097 0.650 2.756 475 2HG GLU 62 1HG GLU 62 21.647 -1.021 2.419 476 H GLY 63 H GLY 63 24.518 1.312 1.905 477 1HA GLY 63 2HA GLY 63 27.444 1.259 2.103 478 2HA GLY 63 1HA GLY 63 26.724 1.994 0.679 479 H GLY 64 H GLY 64 26.965 4.127 0.855 480 1HA GLY 64 2HA GLY 64 25.888 5.428 3.251 481 2HA GLY 64 1HA GLY 64 27.545 5.794 2.793 482 H GLU 65 H GLU 65 27.945 6.974 0.887 483 HA GLU 65 HA GLU 65 25.747 8.729 0.156 484 1HB GLU 65 2HB GLU 65 28.682 8.797 -0.563 485 2HB GLU 65 1HB GLU 65 27.509 10.016 -1.039 486 1HG GLU 65 2HG GLU 65 27.661 9.416 1.843 487 2HG GLU 65 1HG GLU 65 29.067 10.209 1.132 488 H GLY 66 H GLY 66 26.091 9.483 -2.340 489 1HA GLY 66 2HA GLY 66 26.273 7.085 -4.024 490 2HA GLY 66 1HA GLY 66 24.776 8.004 -4.038 491 H LEU 67 H LEU 67 27.878 7.686 -5.353 492 HA LEU 67 HA LEU 67 27.543 10.230 -6.800 493 1HB LEU 67 2HB LEU 67 29.884 9.127 -5.386 494 2HB LEU 67 1HB LEU 67 30.218 9.786 -6.976 495 HG LEU 67 HG LEU 67 30.563 11.409 -5.129 496 1HD1 LEU 67 1HD1 LEU 67 28.616 11.893 -7.338 497 2HD1 LEU 67 2HD1 LEU 67 30.268 12.481 -7.143 498 3HD1 LEU 67 3HD1 LEU 67 28.963 13.178 -6.181 499 1HD2 LEU 67 1HD2 LEU 67 27.648 11.796 -4.829 500 2HD2 LEU 67 2HD2 LEU 67 28.951 12.023 -3.664 501 3HD2 LEU 67 3HD2 LEU 67 28.349 10.402 -4.010 502 H SER 68 H SER 68 26.620 7.552 -7.498 503 HA SER 68 HA SER 68 27.933 7.363 -10.103 504 1HB SER 68 2HB SER 68 27.867 5.242 -8.027 505 2HB SER 68 1HB SER 68 27.540 4.734 -9.684 506 HG SER 68 HG SER 68 29.773 6.330 -8.996 507 H LYS 69 H LYS 69 26.453 7.422 -11.652 508 HA LYS 69 HA LYS 69 23.661 7.170 -11.034 509 1HB LYS 69 2HB LYS 69 25.047 8.582 -12.899 510 2HB LYS 69 1HB LYS 69 24.471 7.235 -13.873 511 1HG LYS 69 2HG LYS 69 22.244 7.794 -13.563 512 2HG LYS 69 1HG LYS 69 22.583 8.747 -12.116 513 1HD LYS 69 2HD LYS 69 22.417 10.515 -13.489 514 2HD LYS 69 1HD LYS 69 24.044 10.066 -14.007 515 1HE LYS 69 2HE LYS 69 22.971 10.199 -16.031 516 2HE LYS 69 1HE LYS 69 22.751 8.491 -15.653 517 1HZ LYS 69 1HZ LYS 69 20.758 10.051 -16.378 518 2HZ LYS 69 2HZ LYS 69 20.692 10.329 -14.712 519 3HZ LYS 69 3HZ LYS 69 20.544 8.755 -15.312 520 H GLU 70 H GLU 70 23.064 5.121 -10.542 521 HA GLU 70 HA GLU 70 22.659 3.272 -12.628 522 1HB GLU 70 2HB GLU 70 25.235 3.141 -11.575 523 2HB GLU 70 1HB GLU 70 24.377 1.827 -10.782 524 1HG GLU 70 2HG GLU 70 24.549 2.263 -13.756 525 2HG GLU 70 1HG GLU 70 25.495 1.100 -12.829 526 HA PRO 71 HA PRO 71 19.843 2.781 -9.041 527 1HB PRO 71 2HB PRO 71 17.689 2.079 -10.551 528 2HB PRO 71 1HB PRO 71 18.147 3.756 -10.239 529 1HG PRO 71 2HG PRO 71 18.687 2.060 -12.645 530 2HG PRO 71 1HG PRO 71 18.173 3.755 -12.564 531 1HD PRO 71 2HD PRO 71 20.736 3.046 -13.030 532 2HD PRO 71 1HD PRO 71 20.308 4.514 -12.128 533 H ALA 72 H ALA 72 20.627 0.940 -8.110 534 HA ALA 72 HA ALA 72 19.732 -1.598 -9.294 535 1HB ALA 72 1HB ALA 72 21.966 -2.430 -8.071 536 2HB ALA 72 2HB ALA 72 22.472 -0.803 -8.524 537 3HB ALA 72 3HB ALA 72 21.921 -1.932 -9.762 538 H GLY 73 H GLY 73 20.919 0.020 -6.360 539 1HA GLY 73 2HA GLY 73 18.797 -1.040 -4.779 540 2HA GLY 73 1HA GLY 73 20.301 -1.896 -4.471 541 H SER 74 H SER 74 20.247 -1.128 -2.305 542 HA SER 74 HA SER 74 20.867 0.255 -0.608 543 1HB SER 74 2HB SER 74 22.326 1.474 -2.937 544 2HB SER 74 1HB SER 74 22.391 2.231 -1.345 545 HG SER 74 HG SER 74 23.033 -0.488 -1.827 546 H ASP 75 H ASP 75 20.947 2.801 -0.062 547 HA ASP 75 HA ASP 75 18.340 3.836 -0.948 548 1HB ASP 75 2HB ASP 75 19.841 4.604 1.559 549 2HB ASP 75 1HB ASP 75 18.166 4.972 1.159 550 H GLU 76 H GLU 76 18.133 6.217 -1.024 551 HA GLU 76 HA GLU 76 20.490 7.363 -2.316 552 1HB GLU 76 2HB GLU 76 17.710 7.473 -2.832 553 2HB GLU 76 1HB GLU 76 18.205 9.101 -2.390 554 1HG GLU 76 2HG GLU 76 19.302 9.413 -4.305 555 2HG GLU 76 1HG GLU 76 20.025 7.805 -4.263 556 H GLN 77 H GLN 77 20.449 9.934 -2.017 557 HA GLN 77 HA GLN 77 21.177 10.357 0.718 558 1HB GLN 77 2HB GLN 77 21.860 11.513 -1.706 559 2HB GLN 77 1HB GLN 77 20.932 12.772 -0.901 560 1HG GLN 77 2HG GLN 77 23.130 11.350 0.541 561 2HG GLN 77 1HG GLN 77 23.488 12.671 -0.571 562 1HE2 GLN 77 1HE2 GLN 77 21.240 11.929 2.077 563 2HE2 GLN 77 2HE2 GLN 77 21.371 13.469 2.847 564 H LYS 78 H LYS 78 19.417 10.246 2.048 565 HA LYS 78 HA LYS 78 17.557 10.940 3.156 566 1HB LYS 78 2HB LYS 78 18.847 13.111 3.047 567 2HB LYS 78 1HB LYS 78 17.863 13.540 1.655 568 1HG LYS 78 2HG LYS 78 16.031 13.963 2.905 569 2HG LYS 78 1HG LYS 78 16.408 12.703 4.083 570 1HD LYS 78 2HD LYS 78 18.244 15.019 3.989 571 2HD LYS 78 1HD LYS 78 16.621 15.325 4.613 572 1HE LYS 78 2HE LYS 78 16.883 13.781 6.359 573 2HE LYS 78 1HE LYS 78 18.282 13.026 5.597 574 1HZ LYS 78 1HZ LYS 78 19.658 14.753 6.217 575 2HZ LYS 78 2HZ LYS 78 18.639 14.626 7.561 576 3HZ LYS 78 3HZ LYS 78 18.388 15.852 6.423 577 H GLN 79 H GLN 79 17.377 9.759 0.412 578 HA GLN 79 HA GLN 79 15.750 9.165 -1.058 579 1HB GLN 79 2HB GLN 79 14.458 9.524 1.351 580 2HB GLN 79 1HB GLN 79 13.521 10.534 0.256 581 1HG GLN 79 2HG GLN 79 12.471 8.450 0.213 582 2HG GLN 79 1HG GLN 79 13.415 8.515 -1.276 583 1HE2 GLN 79 1HE2 GLN 79 12.595 6.113 -0.419 584 2HE2 GLN 79 2HE2 GLN 79 13.917 5.198 0.212 585 H LEU 80 H LEU 80 15.354 10.004 -2.997 586 HA LEU 80 HA LEU 80 15.097 12.922 -3.219 587 1HB LEU 80 2HB LEU 80 16.316 10.814 -4.893 588 2HB LEU 80 1HB LEU 80 15.497 12.097 -5.765 589 HG LEU 80 HG LEU 80 17.459 12.849 -3.648 590 1HD1 LEU 80 1HD1 LEU 80 19.194 12.835 -5.528 591 2HD1 LEU 80 2HD1 LEU 80 18.125 11.682 -6.328 592 3HD1 LEU 80 3HD1 LEU 80 18.813 11.299 -4.750 593 1HD2 LEU 80 1HD2 LEU 80 17.336 14.157 -6.287 594 2HD2 LEU 80 2HD2 LEU 80 17.453 14.860 -4.674 595 3HD2 LEU 80 3HD2 LEU 80 15.894 14.301 -5.282 596 H ARG 81 H ARG 81 13.355 13.861 -4.149 597 HA ARG 81 HA ARG 81 11.532 12.559 -5.866 598 1HB ARG 81 2HB ARG 81 11.028 12.363 -2.970 599 2HB ARG 81 1HB ARG 81 9.659 12.929 -3.915 600 1HG ARG 81 2HG ARG 81 10.393 10.836 -5.417 601 2HG ARG 81 1HG ARG 81 10.944 10.278 -3.836 602 1HD ARG 81 2HD ARG 81 8.678 9.529 -4.221 603 2HD ARG 81 1HD ARG 81 8.700 10.723 -2.924 604 HE ARG 81 HE ARG 81 8.160 11.827 -5.527 605 1HH1 ARG 81 1HH1 ARG 81 6.762 10.365 -2.683 606 2HH1 ARG 81 2HH1 ARG 81 5.195 11.052 -2.946 607 1HH2 ARG 81 1HH2 ARG 81 6.101 12.733 -5.875 608 2HH2 ARG 81 2HH2 ARG 81 4.819 12.397 -4.759 609 H ALA 82 H ALA 82 12.916 15.005 -5.835 610 HA ALA 82 HA ALA 82 10.646 16.869 -5.887 611 1HB ALA 82 1HB ALA 82 13.171 17.141 -4.371 612 2HB ALA 82 2HB ALA 82 11.560 17.765 -4.019 613 3HB ALA 82 3HB ALA 82 12.582 18.581 -5.201 614 H ASP 83 H ASP 83 12.070 15.333 -7.972 615 HA ASP 83 HA ASP 83 13.518 17.384 -9.444 616 1HB ASP 83 2HB ASP 83 13.665 14.581 -9.341 617 2HB ASP 83 1HB ASP 83 13.057 14.960 -10.950 618 HA PRO 84 HA PRO 84 9.784 16.690 -12.380 619 1HB PRO 84 2HB PRO 84 7.790 15.091 -11.023 620 2HB PRO 84 1HB PRO 84 8.654 14.737 -12.521 621 1HG PRO 84 2HG PRO 84 9.019 13.346 -10.198 622 2HG PRO 84 1HG PRO 84 10.258 13.508 -11.455 623 1HD PRO 84 2HD PRO 84 9.966 14.999 -8.873 624 2HD PRO 84 1HD PRO 84 11.433 14.368 -9.652 625 HA PRO 85 HA PRO 85 7.969 20.139 -10.043 626 1HB PRO 85 2HB PRO 85 6.714 20.505 -12.724 627 2HB PRO 85 1HB PRO 85 7.509 21.692 -11.683 628 1HG PRO 85 2HG PRO 85 8.750 20.732 -13.830 629 2HG PRO 85 1HG PRO 85 9.637 21.024 -12.322 630 1HD PRO 85 2HD PRO 85 8.719 18.448 -13.515 631 2HD PRO 85 1HD PRO 85 10.188 18.803 -12.584 632 H SER 86 H SER 86 6.623 18.813 -8.742 633 HA SER 86 HA SER 86 3.894 18.514 -9.806 634 1HB SER 86 2HB SER 86 3.620 16.409 -8.688 635 2HB SER 86 1HB SER 86 5.113 16.313 -9.621 636 HG SER 86 HG SER 86 6.228 16.833 -7.652 637 H THR 87 H THR 87 2.203 18.580 -8.196 638 HA THR 87 HA THR 87 2.594 19.160 -5.489 639 HB THR 87 HB THR 87 3.618 21.223 -6.102 640 HG1 THR 87 1HG THR 87 2.342 22.551 -4.992 641 1HG2 THR 87 1HG2 THR 87 1.260 21.737 -7.897 642 2HG2 THR 87 2HG2 THR 87 2.922 21.433 -8.402 643 3HG2 THR 87 3HG2 THR 87 2.527 22.901 -7.510 644 H ASP 88 H ASP 88 0.705 18.859 -4.473 645 HA ASP 88 HA ASP 88 -1.799 19.584 -5.753 646 1HB ASP 88 2HB ASP 88 -1.045 16.733 -5.111 647 2HB ASP 88 1HB ASP 88 -2.718 17.252 -5.284 648 H LEU 89 H LEU 89 -3.651 18.625 -4.183 649 HA LEU 89 HA LEU 89 -2.830 19.327 -1.439 650 1HB LEU 89 2HB LEU 89 -4.157 21.112 -2.411 651 2HB LEU 89 1HB LEU 89 -5.409 19.973 -2.866 652 HG LEU 89 HG LEU 89 -5.619 19.493 -0.343 653 1HD1 LEU 89 1HD1 LEU 89 -5.034 21.921 0.722 654 2HD1 LEU 89 2HD1 LEU 89 -3.679 21.691 -0.385 655 3HD1 LEU 89 3HD1 LEU 89 -4.013 20.490 0.863 656 1HD2 LEU 89 1HD2 LEU 89 -6.990 21.644 -0.076 657 2HD2 LEU 89 2HD2 LEU 89 -7.423 20.544 -1.384 658 3HD2 LEU 89 3HD2 LEU 89 -6.494 22.003 -1.729 659 H ASN 90 H ASN 90 -5.324 17.629 -3.330 660 HA ASN 90 HA ASN 90 -6.568 16.205 -1.347 661 1HB ASN 90 2HB ASN 90 -6.805 16.250 -4.013 662 2HB ASN 90 1HB ASN 90 -5.973 14.707 -3.843 663 1HD2 ASN 90 1HD2 ASN 90 -7.403 13.146 -4.005 664 2HD2 ASN 90 2HD2 ASN 90 -8.944 13.092 -3.224 665 H THR 91 H THR 91 -3.388 15.612 -2.711 666 HA THR 91 HA THR 91 -3.033 12.971 -1.847 667 HB THR 91 HB THR 91 -1.530 13.960 -3.447 668 HG1 THR 91 1HG THR 91 -0.702 12.364 -1.935 669 1HG2 THR 91 1HG2 THR 91 -1.062 16.129 -3.153 670 2HG2 THR 91 2HG2 THR 91 0.288 15.512 -2.201 671 3HG2 THR 91 3HG2 THR 91 -1.194 16.030 -1.397 672 H PHE 92 H PHE 92 -3.311 15.792 0.060 673 HA PHE 92 HA PHE 92 -1.890 14.508 2.284 674 1HB PHE 92 2HB PHE 92 -2.712 17.401 1.936 675 2HB PHE 92 1HB PHE 92 -1.872 16.740 3.334 676 HD1 PHE 92 2HD PHE 92 0.018 14.906 1.864 677 HD2 PHE 92 1HD PHE 92 -1.120 18.950 1.181 678 HE1 PHE 92 2HE PHE 92 2.177 15.323 0.764 679 HE2 PHE 92 1HE PHE 92 1.039 19.373 0.079 680 HZ PHE 92 HZ PHE 92 2.690 17.559 -0.131 681 H THR 93 H THR 93 -2.889 14.688 4.438 682 HA THR 93 HA THR 93 -5.826 14.646 4.247 683 HB THR 93 HB THR 93 -4.008 12.934 5.946 684 HG1 THR 93 1HG THR 93 -4.206 11.675 4.301 685 1HG2 THR 93 1HG2 THR 93 -6.530 11.870 6.142 686 2HG2 THR 93 2HG2 THR 93 -6.806 13.602 6.332 687 3HG2 THR 93 3HG2 THR 93 -5.678 12.766 7.400 688 H VAL 94 H VAL 94 -4.216 14.280 7.322 689 HA VAL 94 HA VAL 94 -4.760 17.076 7.998 690 HB VAL 94 HB VAL 94 -5.660 14.800 9.755 691 1HG1 VAL 94 1HG1 VAL 94 -6.243 16.335 11.286 692 2HG1 VAL 94 2HG1 VAL 94 -6.811 17.478 10.069 693 3HG1 VAL 94 3HG1 VAL 94 -5.091 17.370 10.440 694 1HG2 VAL 94 1HG2 VAL 94 -7.213 14.596 8.092 695 2HG2 VAL 94 2HG2 VAL 94 -7.064 16.281 7.593 696 3HG2 VAL 94 3HG2 VAL 94 -7.970 15.870 9.048 697 H GLU 95 H GLU 95 -3.562 14.006 9.304 698 HA GLU 95 HA GLU 95 -1.805 15.232 11.180 699 1HB GLU 95 2HB GLU 95 -0.954 12.940 11.528 700 2HB GLU 95 1HB GLU 95 -2.708 13.029 11.612 701 1HG GLU 95 2HG GLU 95 -2.244 12.464 8.963 702 2HG GLU 95 1HG GLU 95 -0.993 11.543 9.795 703 H GLN 96 H GLN 96 -1.536 14.500 7.834 704 HA GLN 96 HA GLN 96 1.332 14.268 7.819 705 1HB GLN 96 2HB GLN 96 -0.852 14.142 5.819 706 2HB GLN 96 1HB GLN 96 0.707 14.700 5.224 707 1HG GLN 96 2HG GLN 96 1.770 12.674 5.965 708 2HG GLN 96 1HG GLN 96 0.275 12.125 6.720 709 1HE2 GLN 96 1HE2 GLN 96 2.125 11.324 4.344 710 2HE2 GLN 96 2HE2 GLN 96 0.990 10.912 3.108 711 H LEU 97 H LEU 97 -1.057 16.742 7.185 712 HA LEU 97 HA LEU 97 0.673 18.647 6.047 713 1HB LEU 97 2HB LEU 97 -1.407 19.838 7.695 714 2HB LEU 97 1HB LEU 97 -1.102 19.992 5.987 715 HG LEU 97 HG LEU 97 -2.328 17.440 6.755 716 1HD1 LEU 97 1HD1 LEU 97 -3.634 18.560 8.281 717 2HD1 LEU 97 2HD1 LEU 97 -4.586 18.729 6.807 718 3HD1 LEU 97 3HD1 LEU 97 -3.585 20.064 7.374 719 1HD2 LEU 97 1HD2 LEU 97 -3.114 19.517 4.733 720 2HD2 LEU 97 2HD2 LEU 97 -3.581 17.819 4.764 721 3HD2 LEU 97 3HD2 LEU 97 -1.909 18.270 4.439 722 H LYS 98 H LYS 98 -0.628 18.432 9.324 723 HA LYS 98 HA LYS 98 0.908 20.438 10.485 724 1HB LYS 98 2HB LYS 98 0.409 19.380 12.631 725 2HB LYS 98 1HB LYS 98 -1.011 19.392 11.594 726 1HG LYS 98 2HG LYS 98 -0.398 17.020 10.957 727 2HG LYS 98 1HG LYS 98 0.754 17.069 12.293 728 1HD LYS 98 2HD LYS 98 -1.394 16.060 12.951 729 2HD LYS 98 1HD LYS 98 -1.040 17.531 13.860 730 1HE LYS 98 2HE LYS 98 -2.858 18.567 13.081 731 2HE LYS 98 1HE LYS 98 -2.530 18.067 11.422 732 1HZ LYS 98 1HZ LYS 98 -3.873 16.279 11.603 733 2HZ LYS 98 2HZ LYS 98 -4.613 17.205 12.809 734 3HZ LYS 98 3HZ LYS 98 -3.500 16.002 13.231 735 H ALA 99 H ALA 99 1.757 17.093 9.808 736 HA ALA 99 HA ALA 99 4.237 17.303 11.273 737 1HB ALA 99 1HB ALA 99 2.695 15.187 10.791 738 2HB ALA 99 2HB ALA 99 4.431 15.051 11.072 739 3HB ALA 99 3HB ALA 99 3.801 15.041 9.425 740 H GLN 100 H GLN 100 3.129 17.843 8.117 741 HA GLN 100 HA GLN 100 5.759 17.675 6.912 742 1HB GLN 100 2HB GLN 100 2.995 18.144 5.896 743 2HB GLN 100 1HB GLN 100 4.344 18.732 4.935 744 1HG GLN 100 2HG GLN 100 5.235 16.280 5.329 745 2HG GLN 100 1HG GLN 100 3.517 15.950 5.543 746 1HE2 GLN 100 1HE2 GLN 100 6.027 16.570 3.329 747 2HE2 GLN 100 2HE2 GLN 100 5.077 16.548 1.886 748 H LEU 101 H LEU 101 3.470 20.141 7.944 749 HA LEU 101 HA LEU 101 4.706 22.365 6.794 750 1HB LEU 101 2HB LEU 101 2.898 21.926 9.119 751 2HB LEU 101 1HB LEU 101 3.736 23.463 9.038 752 HG LEU 101 HG LEU 101 1.732 22.344 7.093 753 1HD1 LEU 101 1HD1 LEU 101 1.834 24.715 8.923 754 2HD1 LEU 101 2HD1 LEU 101 0.651 23.408 8.875 755 3HD1 LEU 101 3HD1 LEU 101 0.692 24.608 7.584 756 1HD2 LEU 101 1HD2 LEU 101 2.438 24.944 6.312 757 2HD2 LEU 101 2HD2 LEU 101 2.703 23.443 5.422 758 3HD2 LEU 101 3HD2 LEU 101 3.952 24.062 6.506 759 H THR 102 H THR 102 5.125 20.889 9.982 760 HA THR 102 HA THR 102 7.147 22.670 10.855 761 HB THR 102 HB THR 102 7.563 20.327 12.265 762 HG1 THR 102 1HG THR 102 5.895 19.200 11.438 763 1HG2 THR 102 1HG2 THR 102 7.293 22.334 13.432 764 2HG2 THR 102 2HG2 THR 102 5.940 21.313 13.923 765 3HG2 THR 102 3HG2 THR 102 5.688 22.609 12.752 766 H GLU 103 H GLU 103 7.183 19.579 9.183 767 HA GLU 103 HA GLU 103 10.053 19.414 9.280 768 1HB GLU 103 2HB GLU 103 8.144 17.518 9.058 769 2HB GLU 103 1HB GLU 103 8.581 17.710 7.365 770 1HG GLU 103 2HG GLU 103 10.976 17.557 8.871 771 2HG GLU 103 1HG GLU 103 9.917 16.248 9.394 772 H ARG 104 H ARG 104 7.931 21.172 7.479 773 HA ARG 104 HA ARG 104 9.584 21.137 5.060 774 1HB ARG 104 2HB ARG 104 7.174 20.906 4.724 775 2HB ARG 104 1HB ARG 104 6.895 22.418 5.579 776 1HG ARG 104 2HG ARG 104 7.978 23.670 3.849 777 2HG ARG 104 1HG ARG 104 8.485 22.189 3.034 778 1HD ARG 104 2HD ARG 104 5.640 22.176 3.451 779 2HD ARG 104 1HD ARG 104 6.128 23.654 2.625 780 HE ARG 104 HE ARG 104 6.158 20.988 1.566 781 1HH1 ARG 104 1HH1 ARG 104 7.585 24.164 1.326 782 2HH1 ARG 104 2HH1 ARG 104 8.073 23.957 -0.322 783 1HH2 ARG 104 1HH2 ARG 104 6.800 20.714 -0.602 784 2HH2 ARG 104 2HH2 ARG 104 7.627 21.998 -1.418 785 H GLY 105 H GLY 105 9.090 22.944 7.904 786 1HA GLY 105 2HA GLY 105 10.813 24.634 8.349 787 2HA GLY 105 1HA GLY 105 10.564 25.207 6.708 788 H ILE 106 H ILE 106 7.552 24.478 7.749 789 HA ILE 106 HA ILE 106 7.108 27.233 8.685 790 HB ILE 106 HB ILE 106 5.061 25.400 7.440 791 1HG1 ILE 106 2HG1 ILE 106 5.881 27.684 5.834 792 2HG1 ILE 106 1HG1 ILE 106 7.226 26.590 6.144 793 1HG2 ILE 106 1HG2 ILE 106 5.000 28.388 7.814 794 2HG2 ILE 106 2HG2 ILE 106 4.257 27.236 8.925 795 3HG2 ILE 106 3HG2 ILE 106 3.688 27.347 7.259 796 1HD1 ILE 106 1HD1 ILE 106 6.107 26.032 4.072 797 2HD1 ILE 106 2HD1 ILE 106 4.578 25.838 4.929 798 3HD1 ILE 106 3HD1 ILE 106 5.916 24.734 5.249 799 H THR 107 H THR 107 7.656 26.509 10.858 800 HA THR 107 HA THR 107 5.903 24.620 12.159 801 HB THR 107 HB THR 107 8.181 24.652 12.895 802 HG1 THR 107 1HG THR 107 6.468 24.509 14.523 803 1HG2 THR 107 1HG2 THR 107 7.991 27.469 12.601 804 2HG2 THR 107 2HG2 THR 107 9.415 26.478 12.918 805 3HG2 THR 107 3HG2 THR 107 8.456 27.099 14.262 806 H PHE 108 H PHE 108 3.846 25.505 12.029 807 HA PHE 108 HA PHE 108 3.098 28.120 12.582 808 1HB PHE 108 2HB PHE 108 0.855 27.040 13.242 809 2HB PHE 108 1HB PHE 108 1.444 26.778 11.607 810 HD1 PHE 108 2HD PHE 108 3.138 24.932 14.217 811 HD2 PHE 108 1HD PHE 108 -0.162 24.879 11.525 812 HE1 PHE 108 2HE PHE 108 2.922 22.506 14.533 813 HE2 PHE 108 1HE PHE 108 -0.379 22.459 11.843 814 HZ PHE 108 HZ PHE 108 1.160 21.263 13.345 815 H LYS 109 H LYS 109 1.391 28.430 14.545 816 HA LYS 109 HA LYS 109 2.498 27.437 17.044 817 1HB LYS 109 2HB LYS 109 2.713 30.266 16.113 818 2HB LYS 109 1HB LYS 109 2.418 29.965 17.821 819 1HG LYS 109 2HG LYS 109 4.441 28.349 17.618 820 2HG LYS 109 1HG LYS 109 4.804 29.282 16.163 821 1HD LYS 109 2HD LYS 109 5.207 31.222 17.347 822 2HD LYS 109 1HD LYS 109 4.220 30.713 18.719 823 1HE LYS 109 2HE LYS 109 6.551 29.012 18.176 824 2HE LYS 109 1HE LYS 109 6.938 30.664 18.658 825 1HZ LYS 109 1HZ LYS 109 6.502 28.730 20.400 826 2HZ LYS 109 2HZ LYS 109 4.912 29.282 20.231 827 3HZ LYS 109 3HZ LYS 109 6.128 30.348 20.728 828 H GLN 110 H GLN 110 0.216 29.768 15.617 829 HA GLN 110 HA GLN 110 -2.013 28.513 16.891 830 1HB GLN 110 2HB GLN 110 -0.687 30.701 18.247 831 2HB GLN 110 1HB GLN 110 -2.347 31.124 17.852 832 1HG GLN 110 2HG GLN 110 -2.488 28.534 18.863 833 2HG GLN 110 1HG GLN 110 -1.329 29.370 19.896 834 1HE2 GLN 110 1HE2 GLN 110 -2.923 29.100 21.567 835 2HE2 GLN 110 2HE2 GLN 110 -4.239 30.211 21.688 836 H SER 111 H SER 111 -1.123 29.332 14.231 837 HA SER 111 HA SER 111 -3.308 31.189 13.546 838 1HB SER 111 2HB SER 111 -0.574 31.412 12.953 839 2HB SER 111 1HB SER 111 -1.335 30.915 11.442 840 HG SER 111 HG SER 111 -1.295 33.213 11.771 841 H ALA 112 H ALA 112 -1.608 28.232 12.667 842 HA ALA 112 HA ALA 112 -3.676 27.628 10.676 843 1HB ALA 112 1HB ALA 112 -1.893 26.968 9.508 844 2HB ALA 112 2HB ALA 112 -1.832 25.571 10.583 845 3HB ALA 112 3HB ALA 112 -0.852 26.996 10.931 846 H THR 113 H THR 113 -5.405 26.843 11.775 847 HA THR 113 HA THR 113 -5.077 25.014 13.975 848 HB THR 113 HB THR 113 -7.782 25.056 13.077 849 HG1 THR 113 1HG THR 113 -8.180 27.143 12.746 850 1HG2 THR 113 1HG2 THR 113 -7.093 26.889 15.235 851 2HG2 THR 113 2HG2 THR 113 -6.478 25.250 15.451 852 3HG2 THR 113 3HG2 THR 113 -8.204 25.519 15.210 853 H LYS 114 H LYS 114 -7.318 24.561 11.257 854 HA LYS 114 HA LYS 114 -6.029 22.027 10.642 855 1HB LYS 114 2HB LYS 114 -8.206 20.823 10.708 856 2HB LYS 114 1HB LYS 114 -7.656 21.367 12.286 857 1HG LYS 114 2HG LYS 114 -9.265 23.050 12.403 858 2HG LYS 114 1HG LYS 114 -9.579 22.996 10.667 859 1HD LYS 114 2HD LYS 114 -10.080 20.523 12.228 860 2HD LYS 114 1HD LYS 114 -11.204 21.865 12.445 861 1HE LYS 114 2HE LYS 114 -11.157 21.899 9.816 862 2HE LYS 114 1HE LYS 114 -10.642 20.225 10.021 863 1HZ LYS 114 1HZ LYS 114 -12.637 19.856 11.383 864 2HZ LYS 114 2HZ LYS 114 -13.019 20.327 9.805 865 3HZ LYS 114 3HZ LYS 114 -13.140 21.442 11.072 866 H ALA 115 H ALA 115 -8.492 24.397 9.788 867 HA ALA 115 HA ALA 115 -8.759 23.341 7.121 868 1HB ALA 115 1HB ALA 115 -10.550 24.701 6.912 869 2HB ALA 115 2HB ALA 115 -9.732 26.067 7.670 870 3HB ALA 115 3HB ALA 115 -10.426 24.790 8.669 871 H GLU 116 H GLU 116 -6.779 25.626 8.759 872 HA GLU 116 HA GLU 116 -5.977 26.998 6.339 873 1HB GLU 116 2HB GLU 116 -4.751 27.234 9.085 874 2HB GLU 116 1HB GLU 116 -4.615 28.373 7.753 875 1HG GLU 116 2HG GLU 116 -7.348 28.121 8.189 876 2HG GLU 116 1HG GLU 116 -6.633 28.159 9.800 877 H LEU 117 H LEU 117 -4.663 24.554 8.524 878 HA LEU 117 HA LEU 117 -2.133 24.550 7.140 879 1HB LEU 117 2HB LEU 117 -1.323 23.192 8.765 880 2HB LEU 117 1HB LEU 117 -2.596 23.995 9.646 881 HG LEU 117 HG LEU 117 -2.389 21.146 8.758 882 1HD1 LEU 117 1HD1 LEU 117 -3.269 20.874 11.115 883 2HD1 LEU 117 2HD1 LEU 117 -3.005 22.607 11.306 884 3HD1 LEU 117 3HD1 LEU 117 -1.650 21.543 10.947 885 1HD2 LEU 117 1HD2 LEU 117 -4.884 22.730 9.047 886 2HD2 LEU 117 2HD2 LEU 117 -4.839 21.084 9.679 887 3HD2 LEU 117 3HD2 LEU 117 -4.517 21.380 7.978 888 H ILE 118 H ILE 118 -5.143 22.934 6.803 889 HA ILE 118 HA ILE 118 -3.978 20.794 5.252 890 HB ILE 118 HB ILE 118 -6.063 20.521 6.693 891 1HG1 ILE 118 2HG1 ILE 118 -5.233 18.915 4.943 892 2HG1 ILE 118 1HG1 ILE 118 -6.957 18.821 5.282 893 1HG2 ILE 118 1HG2 ILE 118 -7.342 21.945 4.369 894 2HG2 ILE 118 2HG2 ILE 118 -7.348 22.436 6.066 895 3HG2 ILE 118 3HG2 ILE 118 -8.219 20.991 5.562 896 1HD1 ILE 118 1HD1 ILE 118 -7.309 18.985 3.108 897 2HD1 ILE 118 2HD1 ILE 118 -5.606 19.327 2.805 898 3HD1 ILE 118 3HD1 ILE 118 -6.716 20.644 3.185 899 H ALA 119 H ALA 119 -5.397 23.928 4.755 900 HA ALA 119 HA ALA 119 -5.675 23.548 1.886 901 1HB ALA 119 1HB ALA 119 -5.940 26.246 3.073 902 2HB ALA 119 2HB ALA 119 -7.121 25.035 3.570 903 3HB ALA 119 3HB ALA 119 -6.932 25.435 1.863 904 H LEU 120 H LEU 120 -3.546 25.047 4.206 905 HA LEU 120 HA LEU 120 -2.083 26.792 2.692 906 1HB LEU 120 2HB LEU 120 -1.695 26.635 5.031 907 2HB LEU 120 1HB LEU 120 -1.228 24.950 4.912 908 HG LEU 120 HG LEU 120 0.615 26.693 5.290 909 1HD1 LEU 120 1HD1 LEU 120 0.717 24.229 4.386 910 2HD1 LEU 120 2HD1 LEU 120 2.149 25.261 4.387 911 3HD1 LEU 120 3HD1 LEU 120 1.229 25.032 2.901 912 1HD2 LEU 120 1HD2 LEU 120 0.829 27.019 2.374 913 2HD2 LEU 120 2HD2 LEU 120 1.207 28.147 3.677 914 3HD2 LEU 120 3HD2 LEU 120 -0.462 27.940 3.147 915 H PHE 121 H PHE 121 -1.411 23.300 3.068 916 HA PHE 121 HA PHE 121 0.838 23.209 1.420 917 1HB PHE 121 2HB PHE 121 -1.219 21.174 2.206 918 2HB PHE 121 1HB PHE 121 0.028 20.763 1.033 919 HD1 PHE 121 2HD PHE 121 2.404 20.766 1.708 920 HD2 PHE 121 1HD PHE 121 -0.730 21.391 4.507 921 HE1 PHE 121 2HE PHE 121 3.949 20.254 3.545 922 HE2 PHE 121 1HE PHE 121 0.798 20.877 6.347 923 HZ PHE 121 HZ PHE 121 3.143 20.308 5.867 924 H ALA 122 H ALA 122 0.321 24.624 -0.354 925 HA ALA 122 HA ALA 122 -0.932 23.192 -2.558 926 1HB ALA 122 1HB ALA 122 -2.034 25.570 -3.081 927 2HB ALA 122 2HB ALA 122 -2.046 25.635 -1.318 928 3HB ALA 122 3HB ALA 122 -2.859 24.314 -2.158 929 HA PRO 123 HA PRO 123 2.225 24.848 -5.127 930 1HB PRO 123 2HB PRO 123 0.123 25.925 -6.937 931 2HB PRO 123 1HB PRO 123 1.476 24.847 -7.298 932 1HG PRO 123 2HG PRO 123 -1.012 23.907 -7.153 933 2HG PRO 123 1HG PRO 123 0.357 22.967 -6.532 934 1HD PRO 123 2HD PRO 123 -1.697 24.541 -5.040 935 2HD PRO 123 1HD PRO 123 -0.918 23.004 -4.610 936 H ALA 124 H ALA 124 -0.566 27.029 -4.788 937 HA ALA 124 HA ALA 124 0.982 29.144 -3.729 938 1HB ALA 124 1HB ALA 124 1.428 30.506 -5.473 939 2HB ALA 124 2HB ALA 124 -0.034 30.044 -6.347 940 3HB ALA 124 3HB ALA 124 1.385 28.998 -6.385 941 H ASP 125 H ASP 125 -0.456 29.866 -2.308 942 HA ASP 125 HA ASP 125 -3.262 30.147 -3.147 943 1HB ASP 125 2HB ASP 125 -2.382 28.772 -1.029 944 2HB ASP 125 1HB ASP 125 -2.497 30.361 -0.278 945 H GLY 126 H GLY 126 -1.211 32.074 -3.815 946 1HA GLY 126 2HA GLY 126 -1.303 34.389 -4.037 947 2HA GLY 126 1HA GLY 126 -2.541 34.433 -2.791 948 H GLU 127 H GLU 127 -1.405 36.275 -1.931 949 HA GLU 127 HA GLU 127 -0.040 37.287 -0.420 950 1HB GLU 127 2HB GLU 127 -0.605 34.756 0.614 951 2HB GLU 127 1HB GLU 127 1.135 34.925 0.794 952 1HG GLU 127 2HG GLU 127 0.959 36.595 2.317 953 2HG GLU 127 1HG GLU 127 -0.542 37.215 1.631 954 H LYS 128 H LYS 128 1.383 38.075 -2.007 955 HA LYS 128 HA LYS 128 3.768 36.489 -2.585 956 1HB LYS 128 2HB LYS 128 2.515 37.668 -4.415 957 2HB LYS 128 1HB LYS 128 3.007 39.194 -3.693 958 1HG LYS 128 2HG LYS 128 5.337 37.631 -4.006 959 2HG LYS 128 1HG LYS 128 4.428 37.531 -5.515 960 1HD LYS 128 2HD LYS 128 4.241 40.192 -4.907 961 2HD LYS 128 1HD LYS 128 5.857 39.791 -4.321 962 1HE LYS 128 2HE LYS 128 6.353 38.781 -6.530 963 2HE LYS 128 1HE LYS 128 4.775 39.324 -7.097 964 1HZ LYS 128 1HZ LYS 128 6.690 40.805 -7.664 965 2HZ LYS 128 2HZ LYS 128 6.827 41.171 -6.018 966 3HZ LYS 128 3HZ LYS 128 5.415 41.572 -6.858 967 H SER 129 H SER 129 4.444 36.720 -0.301 968 HA SER 129 HA SER 129 5.695 39.333 0.222 969 1HB SER 129 2HB SER 129 4.518 37.252 2.016 970 2HB SER 129 1HB SER 129 5.852 38.232 2.626 971 HG SER 129 HG SER 129 4.308 39.600 3.052 972 H GLU 130 H GLU 130 7.668 38.959 1.823 973 HA GLU 130 HA GLU 130 9.838 38.309 2.003 974 1HB GLU 130 2HB GLU 130 8.441 35.735 1.385 975 2HB GLU 130 1HB GLU 130 10.198 35.769 1.444 976 1HG GLU 130 2HG GLU 130 10.139 36.574 3.723 977 2HG GLU 130 1HG GLU 130 8.378 36.648 3.673 978 H ALA 131 H ALA 131 8.857 39.399 -0.524 979 HA ALA 131 HA ALA 131 11.176 39.123 -2.076 980 1HB ALA 131 1HB ALA 131 9.712 36.899 -2.416 981 2HB ALA 131 2HB ALA 131 10.731 37.593 -3.678 982 3HB ALA 131 3HB ALA 131 8.998 37.920 -3.664 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 24.726 -5.175 14.912 2 2H GLY 1 2HT GLY 1 24.291 -4.414 16.358 3 3H GLY 1 3HT GLY 1 23.799 -6.003 16.059 4 1HA GLY 1 1HA GLY 1 25.573 -6.214 17.549 5 2HA GLY 1 2HA GLY 1 26.218 -6.625 15.967 6 H SER 2 H SER 2 26.484 -4.590 18.675 7 HA SER 2 HA SER 2 27.963 -2.966 19.266 8 1HB SER 2 2HB SER 2 29.651 -4.566 18.510 9 2HB SER 2 1HB SER 2 29.478 -3.990 16.852 10 HG SER 2 HG SER 2 31.266 -3.032 17.907 11 H HIS 3 H HIS 3 25.751 -2.240 17.633 12 HA HIS 3 HA HIS 3 26.860 -0.109 15.941 13 1HB HIS 3 2HB HIS 3 24.156 -1.441 16.006 14 2HB HIS 3 1HB HIS 3 24.448 0.050 15.117 15 HD1 HIS 3 1HD HIS 3 24.006 -3.232 14.308 16 HD2 HIS 3 2HD HIS 3 27.137 -0.614 13.527 17 HE1 HIS 3 1HE HIS 3 25.201 -4.187 12.311 18 HE2 HIS 3 2HE HIS 3 27.040 -2.542 11.806 19 H MET 4 H MET 4 25.063 1.790 15.870 20 HA MET 4 HA MET 4 24.700 2.613 18.676 21 1HB MET 4 2HB MET 4 26.145 3.867 16.621 22 2HB MET 4 1HB MET 4 24.683 4.823 16.813 23 1HG MET 4 2HG MET 4 25.805 5.866 18.427 24 2HG MET 4 1HG MET 4 25.436 4.443 19.401 25 1HE MET 4 1HE MET 4 28.704 2.336 19.066 26 2HE MET 4 2HE MET 4 27.378 2.247 17.907 27 3HE MET 4 3HE MET 4 27.034 2.385 19.631 28 H ASP 5 H ASP 5 23.462 3.828 15.568 29 HA ASP 5 HA ASP 5 20.876 4.320 16.689 30 1HB ASP 5 2HB ASP 5 22.225 4.783 14.100 31 2HB ASP 5 1HB ASP 5 20.479 4.572 14.014 32 H LYS 6 H LYS 6 18.938 3.583 15.159 33 HA LYS 6 HA LYS 6 19.211 0.789 14.385 34 1HB LYS 6 2HB LYS 6 18.066 1.602 16.880 35 2HB LYS 6 1HB LYS 6 16.796 0.929 15.868 36 1HG LYS 6 2HG LYS 6 19.379 -0.417 16.631 37 2HG LYS 6 1HG LYS 6 17.769 -0.795 17.247 38 1HD LYS 6 2HD LYS 6 17.953 -0.846 14.329 39 2HD LYS 6 1HD LYS 6 18.995 -2.027 15.124 40 1HE LYS 6 2HE LYS 6 17.257 -3.267 15.833 41 2HE LYS 6 1HE LYS 6 16.277 -1.853 16.217 42 1HZ LYS 6 1HZ LYS 6 16.716 -2.357 13.392 43 2HZ LYS 6 2HZ LYS 6 15.314 -1.863 14.199 44 3HZ LYS 6 3HZ LYS 6 15.756 -3.496 14.195 45 H THR 7 H THR 7 18.620 1.055 12.315 46 HA THR 7 HA THR 7 15.880 1.936 11.806 47 HB THR 7 HB THR 7 17.025 3.015 9.641 48 HG1 THR 7 1HG THR 7 18.902 3.444 11.722 49 1HG2 THR 7 1HG2 THR 7 17.264 4.900 11.811 50 2HG2 THR 7 2HG2 THR 7 15.764 3.975 11.889 51 3HG2 THR 7 3HG2 THR 7 16.163 4.890 10.434 52 H PHE 8 H PHE 8 14.999 1.128 9.809 53 HA PHE 8 HA PHE 8 16.584 -0.923 8.452 54 1HB PHE 8 2HB PHE 8 14.407 -2.381 8.658 55 2HB PHE 8 1HB PHE 8 15.609 -2.378 9.946 56 HD1 PHE 8 1HD PHE 8 15.204 -0.584 11.834 57 HD2 PHE 8 2HD PHE 8 12.213 -2.024 9.157 58 HE1 PHE 8 1HE PHE 8 13.460 0.050 13.449 59 HE2 PHE 8 2HE PHE 8 10.474 -1.396 10.782 60 HZ PHE 8 HZ PHE 8 11.091 -0.354 12.920 61 H CYS 9 H CYS 9 15.993 -1.377 6.389 62 HA CYS 9 HA CYS 9 14.102 0.468 5.143 63 1HB CYS 9 2HB CYS 9 15.502 -1.557 3.482 64 2HB CYS 9 1HB CYS 9 15.262 0.160 3.192 65 HG CYS 9 HG CYS 9 17.544 -0.933 5.006 66 H VAL 10 H VAL 10 12.066 -0.165 4.667 67 HA VAL 10 HA VAL 10 11.460 -3.038 4.818 68 HB VAL 10 HB VAL 10 10.303 -0.903 6.180 69 1HG1 VAL 10 1HG1 VAL 10 9.008 -0.420 4.091 70 2HG1 VAL 10 2HG1 VAL 10 8.023 -0.763 5.511 71 3HG1 VAL 10 3HG1 VAL 10 8.248 -2.001 4.275 72 1HG2 VAL 10 1HG2 VAL 10 9.129 -2.539 7.312 73 2HG2 VAL 10 2HG2 VAL 10 10.499 -3.425 6.647 74 3HG2 VAL 10 3HG2 VAL 10 8.922 -3.527 5.867 75 H VAL 11 H VAL 11 10.051 -3.990 3.363 76 HA VAL 11 HA VAL 11 9.314 -2.412 1.020 77 HB VAL 11 HB VAL 11 11.416 -3.414 0.452 78 1HG1 VAL 11 1HG1 VAL 11 11.692 -5.867 0.391 79 2HG1 VAL 11 2HG1 VAL 11 10.146 -6.025 1.226 80 3HG1 VAL 11 3HG1 VAL 11 11.498 -5.214 2.017 81 1HG2 VAL 11 1HG2 VAL 11 10.147 -5.253 -1.241 82 2HG2 VAL 11 2HG2 VAL 11 10.548 -3.572 -1.592 83 3HG2 VAL 11 3HG2 VAL 11 8.963 -3.982 -0.938 84 H VAL 12 H VAL 12 7.293 -2.750 0.415 85 HA VAL 12 HA VAL 12 5.800 -4.950 1.622 86 HB VAL 12 HB VAL 12 3.803 -3.752 0.698 87 1HG1 VAL 12 1HG1 VAL 12 5.698 -2.630 2.676 88 2HG1 VAL 12 2HG1 VAL 12 4.044 -3.205 2.890 89 3HG1 VAL 12 3HG1 VAL 12 4.343 -1.614 2.187 90 1HG2 VAL 12 1HG2 VAL 12 5.715 -2.436 -0.857 91 2HG2 VAL 12 2HG2 VAL 12 5.128 -1.224 0.281 92 3HG2 VAL 12 3HG2 VAL 12 3.991 -2.081 -0.760 93 H GLN 13 H GLN 13 5.976 -6.793 0.485 94 HA GLN 13 HA GLN 13 5.940 -6.726 -2.425 95 1HB GLN 13 2HB GLN 13 7.168 -8.385 -0.561 96 2HB GLN 13 1HB GLN 13 5.870 -9.375 -1.215 97 1HG GLN 13 2HG GLN 13 7.003 -8.197 -3.447 98 2HG GLN 13 1HG GLN 13 8.379 -8.574 -2.411 99 1HE2 GLN 13 1HE2 GLN 13 9.222 -10.280 -3.451 100 2HE2 GLN 13 2HE2 GLN 13 8.390 -11.767 -3.738 101 H ASN 14 H ASN 14 3.979 -6.460 -3.289 102 HA ASN 14 HA ASN 14 1.709 -7.895 -2.101 103 1HB ASN 14 2HB ASN 14 1.951 -5.252 -2.932 104 2HB ASN 14 1HB ASN 14 1.030 -6.021 -4.221 105 1HD2 ASN 14 1HD2 ASN 14 -0.992 -5.455 -3.918 106 2HD2 ASN 14 2HD2 ASN 14 -1.872 -5.598 -2.440 107 H ARG 15 H ARG 15 0.355 -9.161 -3.339 108 HA ARG 15 HA ARG 15 1.172 -9.712 -6.102 109 1HB ARG 15 2HB ARG 15 1.232 -11.568 -3.810 110 2HB ARG 15 1HB ARG 15 0.443 -12.201 -5.247 111 1HG ARG 15 2HG ARG 15 2.579 -11.348 -6.464 112 2HG ARG 15 1HG ARG 15 3.285 -11.397 -4.847 113 1HD ARG 15 2HD ARG 15 1.758 -13.768 -5.783 114 2HD ARG 15 1HD ARG 15 3.355 -13.487 -6.475 115 HE ARG 15 HE ARG 15 3.327 -13.343 -3.612 116 1HH1 ARG 15 1HH1 ARG 15 3.520 -15.506 -6.344 117 2HH1 ARG 15 2HH1 ARG 15 4.351 -16.744 -5.464 118 1HH2 ARG 15 1HH2 ARG 15 4.420 -14.971 -2.453 119 2HH2 ARG 15 2HH2 ARG 15 4.862 -16.441 -3.254 120 H ILE 16 H ILE 16 -1.005 -8.188 -4.974 121 HA ILE 16 HA ILE 16 -3.354 -9.849 -5.496 122 HB ILE 16 HB ILE 16 -3.119 -7.049 -4.386 123 1HG1 ILE 16 2HG1 ILE 16 -4.280 -8.510 -2.442 124 2HG1 ILE 16 1HG1 ILE 16 -3.306 -9.761 -3.206 125 1HG2 ILE 16 1HG2 ILE 16 -5.355 -8.347 -5.590 126 2HG2 ILE 16 2HG2 ILE 16 -5.262 -6.747 -4.854 127 3HG2 ILE 16 3HG2 ILE 16 -5.664 -8.150 -3.865 128 1HD1 ILE 16 1HD1 ILE 16 -1.845 -8.994 -1.640 129 2HD1 ILE 16 2HD1 ILE 16 -2.459 -7.342 -1.712 130 3HD1 ILE 16 3HD1 ILE 16 -1.415 -7.954 -2.996 131 H LYS 17 H LYS 17 -2.192 -6.588 -6.411 132 HA LYS 17 HA LYS 17 -2.689 -7.010 -9.172 133 1HB LYS 17 2HB LYS 17 -4.455 -4.871 -8.821 134 2HB LYS 17 1HB LYS 17 -4.864 -6.508 -9.303 135 1HG LYS 17 2HG LYS 17 -5.489 -7.115 -7.137 136 2HG LYS 17 1HG LYS 17 -4.661 -5.734 -6.417 137 1HD LYS 17 2HD LYS 17 -6.999 -5.271 -6.357 138 2HD LYS 17 1HD LYS 17 -6.294 -4.252 -7.614 139 1HE LYS 17 2HE LYS 17 -7.089 -6.770 -8.733 140 2HE LYS 17 1HE LYS 17 -8.438 -6.059 -7.848 141 1HZ LYS 17 1HZ LYS 17 -6.951 -4.937 -10.140 142 2HZ LYS 17 2HZ LYS 17 -7.866 -3.946 -9.119 143 3HZ LYS 17 3HZ LYS 17 -8.617 -5.191 -9.983 144 H GLU 18 H GLU 18 -3.026 -4.473 -10.114 145 HA GLU 18 HA GLU 18 -0.661 -3.092 -9.039 146 1HB GLU 18 2HB GLU 18 -0.709 -1.974 -11.371 147 2HB GLU 18 1HB GLU 18 -0.134 -3.629 -11.242 148 1HG GLU 18 2HG GLU 18 -2.332 -4.438 -11.965 149 2HG GLU 18 1HG GLU 18 -2.881 -2.770 -12.124 150 H GLY 19 H GLY 19 -4.035 -2.857 -9.445 151 1HA GLY 19 2HA GLY 19 -3.934 0.064 -9.030 152 2HA GLY 19 1HA GLY 19 -5.294 -0.793 -9.744 153 H TYR 20 H TYR 20 -3.411 -1.548 -6.838 154 HA TYR 20 HA TYR 20 -5.901 -1.721 -5.328 155 1HB TYR 20 2HB TYR 20 -3.676 -3.326 -5.377 156 2HB TYR 20 1HB TYR 20 -3.400 -2.364 -3.927 157 HD1 TYR 20 2HD TYR 20 -6.644 -3.554 -5.308 158 HD2 TYR 20 1HD TYR 20 -3.762 -3.901 -2.198 159 HE1 TYR 20 2HE TYR 20 -8.179 -5.011 -4.057 160 HE2 TYR 20 1HE TYR 20 -5.289 -5.360 -0.939 161 HH TYR 20 HH TYR 20 -7.202 -6.854 -1.393 162 H ARG 21 H ARG 21 -3.723 0.640 -5.999 163 HA ARG 21 HA ARG 21 -3.243 2.661 -5.074 164 1HB ARG 21 2HB ARG 21 -5.591 1.941 -3.317 165 2HB ARG 21 1HB ARG 21 -4.848 3.533 -3.382 166 1HG ARG 21 2HG ARG 21 -6.437 2.117 -5.481 167 2HG ARG 21 1HG ARG 21 -6.730 3.689 -4.739 168 1HD ARG 21 2HD ARG 21 -4.333 4.168 -5.823 169 2HD ARG 21 1HD ARG 21 -4.901 2.931 -6.943 170 HE ARG 21 HE ARG 21 -6.860 4.959 -6.501 171 1HH1 ARG 21 1HH1 ARG 21 -3.949 4.217 -8.279 172 2HH1 ARG 21 2HH1 ARG 21 -4.307 5.318 -9.567 173 1HH2 ARG 21 1HH2 ARG 21 -7.331 6.406 -8.194 174 2HH2 ARG 21 2HH2 ARG 21 -6.226 6.560 -9.519 175 H ARG 22 H ARG 22 -3.050 3.723 -2.681 176 HA ARG 22 HA ARG 22 -2.228 2.057 -0.583 177 1HB ARG 22 2HB ARG 22 -0.306 2.334 -2.655 178 2HB ARG 22 1HB ARG 22 0.278 3.255 -1.276 179 1HG ARG 22 2HG ARG 22 -0.627 0.848 -0.204 180 2HG ARG 22 1HG ARG 22 0.209 0.406 -1.692 181 1HD ARG 22 2HD ARG 22 1.906 0.389 -0.105 182 2HD ARG 22 1HD ARG 22 2.072 1.976 -0.853 183 HE ARG 22 HE ARG 22 1.647 2.893 1.184 184 1HH1 ARG 22 1HH1 ARG 22 0.282 -0.318 1.144 185 2HH1 ARG 22 2HH1 ARG 22 -0.222 -0.260 2.800 186 1HH2 ARG 22 1HH2 ARG 22 0.985 2.973 3.361 187 2HH2 ARG 22 2HH2 ARG 22 0.176 1.608 4.059 188 H ALA 23 H ALA 23 -0.225 3.676 0.562 189 HA ALA 23 HA ALA 23 -1.599 5.574 1.945 190 1HB ALA 23 1HB ALA 23 0.711 6.731 2.158 191 2HB ALA 23 2HB ALA 23 1.296 5.352 1.226 192 3HB ALA 23 3HB ALA 23 0.505 5.095 2.782 193 H GLY 24 H GLY 24 -0.264 5.866 -1.262 194 1HA GLY 24 2HA GLY 24 -1.777 7.696 -2.400 195 2HA GLY 24 1HA GLY 24 -0.824 8.735 -1.351 196 H PHE 25 H PHE 25 0.252 5.848 -3.088 197 HA PHE 25 HA PHE 25 1.867 7.550 -4.851 198 1HB PHE 25 2HB PHE 25 2.996 5.088 -3.527 199 2HB PHE 25 1HB PHE 25 3.862 6.328 -4.427 200 HD1 PHE 25 2HD PHE 25 1.862 5.797 -1.340 201 HD2 PHE 25 1HD PHE 25 4.857 8.097 -3.306 202 HE1 PHE 25 2HE PHE 25 2.332 6.984 0.766 203 HE2 PHE 25 1HE PHE 25 5.331 9.285 -1.205 204 HZ PHE 25 HZ PHE 25 4.068 8.729 0.834 205 H SER 26 H SER 26 -0.584 5.811 -5.158 206 HA SER 26 HA SER 26 -1.421 4.167 -6.516 207 1HB SER 26 2HB SER 26 -0.071 4.357 -8.866 208 2HB SER 26 1HB SER 26 -1.327 5.487 -8.359 209 HG SER 26 HG SER 26 1.186 6.029 -8.891 210 H PHE 27 H PHE 27 -0.113 2.737 -4.875 211 HA PHE 27 HA PHE 27 2.219 1.421 -5.622 212 1HB PHE 27 2HB PHE 27 1.229 1.279 -3.372 213 2HB PHE 27 1HB PHE 27 -0.095 0.316 -4.016 214 HD1 PHE 27 2HD PHE 27 3.279 -0.209 -5.295 215 HD2 PHE 27 1HD PHE 27 0.397 -1.461 -2.421 216 HE1 PHE 27 2HE PHE 27 4.575 -2.260 -4.893 217 HE2 PHE 27 1HE PHE 27 1.689 -3.513 -2.015 218 HZ PHE 27 HZ PHE 27 3.780 -3.916 -3.251 219 H HIS 28 H HIS 28 2.588 0.352 -7.433 220 HA HIS 28 HA HIS 28 0.459 -0.902 -8.928 221 1HB HIS 28 2HB HIS 28 2.950 0.199 -9.559 222 2HB HIS 28 1HB HIS 28 3.141 -1.528 -9.852 223 HD1 HIS 28 1HD HIS 28 2.926 -1.791 -12.308 224 HD2 HIS 28 2HD HIS 28 0.030 0.754 -10.762 225 HE1 HIS 28 1HE HIS 28 1.427 -1.223 -14.246 226 HE2 HIS 28 2HE HIS 28 -0.262 0.392 -13.307 227 H LEU 29 H LEU 29 1.502 -3.131 -10.013 228 HA LEU 29 HA LEU 29 1.367 -4.987 -7.815 229 1HB LEU 29 2HB LEU 29 0.240 -5.328 -10.048 230 2HB LEU 29 1HB LEU 29 1.832 -5.624 -10.723 231 HG LEU 29 HG LEU 29 0.615 -7.704 -10.248 232 1HD1 LEU 29 1HD1 LEU 29 2.417 -8.878 -9.384 233 2HD1 LEU 29 2HD1 LEU 29 2.884 -7.561 -8.308 234 3HD1 LEU 29 3HD1 LEU 29 3.158 -7.420 -10.044 235 1HD2 LEU 29 1HD2 LEU 29 -0.748 -7.477 -8.443 236 2HD2 LEU 29 2HD2 LEU 29 0.408 -6.493 -7.549 237 3HD2 LEU 29 3HD2 LEU 29 0.632 -8.237 -7.653 238 H GLY 30 H GLY 30 3.141 -5.105 -6.633 239 1HA GLY 30 2HA GLY 30 5.361 -6.543 -7.269 240 2HA GLY 30 1HA GLY 30 5.785 -4.908 -7.756 241 H ASP 31 H ASP 31 7.297 -4.416 -6.253 242 HA ASP 31 HA ASP 31 6.330 -4.101 -3.518 243 1HB ASP 31 2HB ASP 31 8.360 -5.081 -2.563 244 2HB ASP 31 1HB ASP 31 7.495 -6.262 -3.539 245 H ASN 32 H ASN 32 7.231 -2.410 -2.390 246 HA ASN 32 HA ASN 32 9.136 -0.731 -3.898 247 1HB ASN 32 2HB ASN 32 6.580 -0.077 -2.569 248 2HB ASN 32 1HB ASN 32 7.897 1.045 -2.243 249 1HD2 ASN 32 1HD2 ASN 32 5.324 0.917 -3.984 250 2HD2 ASN 32 2HD2 ASN 32 5.848 1.615 -5.476 251 H SER 33 H SER 33 10.908 0.038 -2.801 252 HA SER 33 HA SER 33 11.394 -1.153 -0.204 253 1HB SER 33 2HB SER 33 13.657 0.190 -0.614 254 2HB SER 33 1HB SER 33 13.342 -1.369 -1.380 255 HG SER 33 HG SER 33 12.664 1.090 -2.607 256 H LEU 34 H LEU 34 11.855 -0.094 1.650 257 HA LEU 34 HA LEU 34 11.114 2.757 1.736 258 1HB LEU 34 2HB LEU 34 9.446 1.497 2.881 259 2HB LEU 34 1HB LEU 34 10.634 0.500 3.683 260 HG LEU 34 HG LEU 34 9.378 2.253 5.033 261 1HD1 LEU 34 1HD1 LEU 34 11.479 2.636 6.370 262 2HD1 LEU 34 2HD1 LEU 34 12.343 1.819 5.064 263 3HD1 LEU 34 3HD1 LEU 34 11.108 0.960 5.968 264 1HD2 LEU 34 1HD2 LEU 34 11.450 4.216 4.632 265 2HD2 LEU 34 2HD2 LEU 34 9.700 4.419 4.674 266 3HD2 LEU 34 3HD2 LEU 34 10.498 3.985 3.165 267 H ALA 35 H ALA 35 12.415 4.155 2.931 268 HA ALA 35 HA ALA 35 15.142 3.465 3.196 269 1HB ALA 35 1HB ALA 35 15.506 5.671 3.396 270 2HB ALA 35 2HB ALA 35 14.193 5.893 4.553 271 3HB ALA 35 3HB ALA 35 13.841 5.784 2.828 272 H ALA 36 H ALA 36 16.410 3.637 5.138 273 HA ALA 36 HA ALA 36 15.309 2.068 7.215 274 1HB ALA 36 1HB ALA 36 17.827 3.573 7.668 275 2HB ALA 36 2HB ALA 36 17.783 2.378 6.371 276 3HB ALA 36 3HB ALA 36 17.432 1.893 8.030 277 H VAL 37 H VAL 37 13.906 2.732 8.608 278 HA VAL 37 HA VAL 37 14.297 5.295 10.002 279 HB VAL 37 HB VAL 37 11.542 4.214 9.498 280 1HG1 VAL 37 1HG1 VAL 37 11.111 5.973 10.799 281 2HG1 VAL 37 2HG1 VAL 37 11.474 6.958 9.382 282 3HG1 VAL 37 3HG1 VAL 37 12.727 6.642 10.581 283 1HG2 VAL 37 1HG2 VAL 37 13.333 5.446 7.507 284 2HG2 VAL 37 2HG2 VAL 37 11.700 6.107 7.588 285 3HG2 VAL 37 3HG2 VAL 37 11.941 4.386 7.284 286 H SER 38 H SER 38 12.623 5.245 12.013 287 HA SER 38 HA SER 38 13.258 2.752 13.421 288 1HB SER 38 2HB SER 38 13.139 5.590 14.209 289 2HB SER 38 1HB SER 38 12.489 4.457 15.394 290 HG SER 38 HG SER 38 14.440 3.460 15.521 291 H GLU 39 H GLU 39 11.340 1.801 12.295 292 HA GLU 39 HA GLU 39 9.334 0.777 12.616 293 1HB GLU 39 2HB GLU 39 9.837 1.845 15.133 294 2HB GLU 39 1HB GLU 39 8.196 2.349 14.750 295 1HG GLU 39 2HG GLU 39 8.020 -0.196 14.003 296 2HG GLU 39 1HG GLU 39 9.299 -0.355 15.206 297 H SER 40 H SER 40 9.615 4.155 12.164 298 HA SER 40 HA SER 40 6.917 4.870 11.873 299 1HB SER 40 2HB SER 40 9.136 6.304 11.899 300 2HB SER 40 1HB SER 40 8.998 6.143 10.147 301 HG SER 40 HG SER 40 7.720 7.831 11.707 302 H GLN 41 H GLN 41 8.970 3.003 9.841 303 HA GLN 41 HA GLN 41 7.428 3.445 7.427 304 1HB GLN 41 2HB GLN 41 8.891 1.452 6.648 305 2HB GLN 41 1HB GLN 41 9.595 3.044 6.858 306 1HG GLN 41 2HG GLN 41 11.026 1.259 7.741 307 2HG GLN 41 1HG GLN 41 10.525 2.390 8.992 308 1HE2 GLN 41 1HE2 GLN 41 9.887 1.519 10.783 309 2HE2 GLN 41 2HE2 GLN 41 9.210 -0.057 10.984 310 H LEU 42 H LEU 42 7.473 1.172 10.036 311 HA LEU 42 HA LEU 42 6.098 -0.903 8.643 312 1HB LEU 42 2HB LEU 42 7.553 -1.133 10.723 313 2HB LEU 42 1HB LEU 42 6.182 -0.521 11.628 314 HG LEU 42 HG LEU 42 4.902 -2.482 10.438 315 1HD1 LEU 42 1HD1 LEU 42 6.105 -4.137 9.504 316 2HD1 LEU 42 2HD1 LEU 42 7.406 -3.997 10.687 317 3HD1 LEU 42 3HD1 LEU 42 7.344 -2.897 9.311 318 1HD2 LEU 42 1HD2 LEU 42 5.034 -2.389 12.792 319 2HD2 LEU 42 2HD2 LEU 42 6.772 -2.698 12.784 320 3HD2 LEU 42 3HD2 LEU 42 5.645 -3.980 12.339 321 H ALA 43 H ALA 43 5.082 1.397 11.159 322 HA ALA 43 HA ALA 43 2.369 0.689 11.061 323 1HB ALA 43 1HB ALA 43 3.938 2.931 12.188 324 2HB ALA 43 2HB ALA 43 2.805 1.831 12.971 325 3HB ALA 43 3HB ALA 43 2.202 3.172 11.997 326 H GLN 44 H GLN 44 4.312 2.631 8.959 327 HA GLN 44 HA GLN 44 2.152 4.187 7.885 328 1HB GLN 44 2HB GLN 44 5.026 3.970 7.504 329 2HB GLN 44 1HB GLN 44 4.180 4.138 5.972 330 1HG GLN 44 2HG GLN 44 3.231 5.983 8.014 331 2HG GLN 44 1HG GLN 44 4.940 6.182 7.628 332 1HE2 GLN 44 1HE2 GLN 44 2.759 7.993 7.093 333 2HE2 GLN 44 2HE2 GLN 44 2.708 8.219 5.381 334 H LEU 45 H LEU 45 3.994 1.364 6.774 335 HA LEU 45 HA LEU 45 2.341 1.011 4.451 336 1HB LEU 45 2HB LEU 45 4.508 -0.671 5.698 337 2HB LEU 45 1HB LEU 45 3.659 -1.131 4.232 338 1HD1 LEU 45 1HD1 LEU 45 7.063 0.209 3.659 339 2HD1 LEU 45 2HD1 LEU 45 6.013 -0.560 2.470 340 3HD1 LEU 45 3HD1 LEU 45 6.169 -1.250 4.086 341 1HD2 LEU 45 1HD2 LEU 45 3.379 0.594 2.582 342 2HD2 LEU 45 2HD2 LEU 45 4.920 1.193 1.965 343 3HD2 LEU 45 3HD2 LEU 45 3.974 2.177 3.084 344 H LYS 46 H LYS 46 2.460 -0.261 7.689 345 HA LYS 46 HA LYS 46 0.666 -2.446 7.183 346 1HB LYS 46 2HB LYS 46 2.437 -2.057 9.124 347 2HB LYS 46 1HB LYS 46 1.043 -1.360 9.934 348 1HG LYS 46 2HG LYS 46 0.017 -3.698 8.990 349 2HG LYS 46 1HG LYS 46 1.684 -4.152 9.349 350 1HD LYS 46 2HD LYS 46 1.019 -2.692 11.555 351 2HD LYS 46 1HD LYS 46 -0.519 -3.461 11.159 352 1HE LYS 46 2HE LYS 46 1.265 -5.522 10.876 353 2HE LYS 46 1HE LYS 46 1.944 -4.616 12.228 354 1HZ LYS 46 1HZ LYS 46 -0.546 -6.114 12.060 355 2HZ LYS 46 2HZ LYS 46 -0.596 -4.679 12.952 356 3HZ LYS 46 3HZ LYS 46 0.501 -5.897 13.371 357 H ALA 47 H ALA 47 0.225 0.875 7.497 358 HA ALA 47 HA ALA 47 -2.020 1.262 9.011 359 1HB ALA 47 1HB ALA 47 -0.679 2.969 7.689 360 2HB ALA 47 2HB ALA 47 -2.422 3.223 7.777 361 3HB ALA 47 3HB ALA 47 -1.702 2.551 6.315 362 H ASP 48 H ASP 48 -1.936 0.208 5.613 363 HA ASP 48 HA ASP 48 -4.809 -0.263 5.662 364 1HB ASP 48 2HB ASP 48 -2.722 -0.319 3.497 365 2HB ASP 48 1HB ASP 48 -4.329 -0.987 3.231 366 HA PRO 49 HA PRO 49 -3.998 -4.559 6.645 367 1HB PRO 49 2HB PRO 49 -6.533 -5.329 7.017 368 2HB PRO 49 1HB PRO 49 -5.721 -4.261 8.167 369 1HG PRO 49 2HG PRO 49 -7.666 -3.578 5.998 370 2HG PRO 49 1HG PRO 49 -7.581 -2.963 7.658 371 1HD PRO 49 2HD PRO 49 -6.593 -1.632 5.464 372 2HD PRO 49 1HD PRO 49 -6.002 -1.399 7.121 373 H ARG 50 H ARG 50 -3.603 -4.115 4.009 374 HA ARG 50 HA ARG 50 -5.119 -6.298 2.768 375 1HB ARG 50 2HB ARG 50 -5.167 -3.516 1.989 376 2HB ARG 50 1HB ARG 50 -4.530 -4.509 0.686 377 1HG ARG 50 2HG ARG 50 -6.785 -4.508 0.240 378 2HG ARG 50 1HG ARG 50 -6.590 -6.007 1.150 379 1HD ARG 50 2HD ARG 50 -7.371 -4.937 3.165 380 2HD ARG 50 1HD ARG 50 -7.439 -3.375 2.350 381 HE ARG 50 HE ARG 50 -9.442 -3.981 1.413 382 1HH1 ARG 50 1HH1 ARG 50 -7.913 -6.813 2.761 383 2HH1 ARG 50 2HH1 ARG 50 -9.305 -7.820 2.548 384 1HH2 ARG 50 1HH2 ARG 50 -11.274 -5.305 1.128 385 2HH2 ARG 50 2HH2 ARG 50 -11.213 -6.965 1.620 386 H LEU 51 H LEU 51 -2.254 -4.213 2.616 387 HA LEU 51 HA LEU 51 -0.870 -6.176 0.966 388 1HB LEU 51 2HB LEU 51 0.439 -3.717 2.063 389 2HB LEU 51 1HB LEU 51 0.766 -4.570 0.568 390 HG LEU 51 HG LEU 51 -0.221 -2.625 -0.184 391 1HD1 LEU 51 1HD1 LEU 51 -2.873 -3.793 -0.016 392 2HD1 LEU 51 2HD1 LEU 51 -1.645 -4.961 -0.503 393 3HD1 LEU 51 3HD1 LEU 51 -1.862 -3.472 -1.423 394 1HD2 LEU 51 1HD2 LEU 51 -1.056 -2.268 2.367 395 2HD2 LEU 51 2HD2 LEU 51 -2.589 -2.556 1.546 396 3HD2 LEU 51 3HD2 LEU 51 -1.533 -1.252 1.007 397 H VAL 52 H VAL 52 1.662 -6.223 1.760 398 HA VAL 52 HA VAL 52 1.590 -7.060 4.587 399 HB VAL 52 HB VAL 52 3.329 -8.451 2.595 400 1HG1 VAL 52 1HG1 VAL 52 3.879 -8.969 4.823 401 2HG1 VAL 52 2HG1 VAL 52 2.944 -10.342 4.229 402 3HG1 VAL 52 3HG1 VAL 52 2.183 -9.149 5.280 403 1HG2 VAL 52 1HG2 VAL 52 1.111 -8.617 1.637 404 2HG2 VAL 52 2HG2 VAL 52 0.457 -9.149 3.187 405 3HG2 VAL 52 3HG2 VAL 52 1.592 -10.175 2.308 406 H VAL 53 H VAL 53 2.811 -5.641 5.650 407 HA VAL 53 HA VAL 53 5.270 -4.633 4.414 408 HB VAL 53 HB VAL 53 3.999 -2.838 5.232 409 1HG1 VAL 53 1HG1 VAL 53 2.364 -3.348 6.668 410 2HG1 VAL 53 2HG1 VAL 53 3.565 -3.077 7.930 411 3HG1 VAL 53 3HG1 VAL 53 3.260 -4.710 7.340 412 1HG2 VAL 53 1HG2 VAL 53 5.339 -1.876 7.052 413 2HG2 VAL 53 2HG2 VAL 53 6.346 -2.626 5.812 414 3HG2 VAL 53 3HG2 VAL 53 6.063 -3.459 7.341 415 H GLN 54 H GLN 54 6.999 -5.789 4.791 416 HA GLN 54 HA GLN 54 7.434 -6.876 7.495 417 1HB GLN 54 2HB GLN 54 7.274 -8.290 4.989 418 2HB GLN 54 1HB GLN 54 8.870 -8.497 5.696 419 1HG GLN 54 2HG GLN 54 7.827 -9.256 7.785 420 2HG GLN 54 1HG GLN 54 6.241 -9.094 7.033 421 1HE2 GLN 54 1HE2 GLN 54 8.843 -11.130 7.606 422 2HE2 GLN 54 2HE2 GLN 54 8.411 -12.410 6.529 423 H ILE 55 H ILE 55 9.512 -6.795 8.311 424 HA ILE 55 HA ILE 55 11.318 -4.998 6.867 425 HB ILE 55 HB ILE 55 12.229 -4.306 8.884 426 1HG1 ILE 55 2HG1 ILE 55 12.749 -6.559 9.770 427 2HG1 ILE 55 1HG1 ILE 55 12.081 -5.495 11.002 428 1HG2 ILE 55 1HG2 ILE 55 10.292 -3.967 10.462 429 2HG2 ILE 55 2HG2 ILE 55 9.334 -4.964 9.368 430 3HG2 ILE 55 3HG2 ILE 55 10.026 -3.446 8.798 431 1HD1 ILE 55 1HD1 ILE 55 11.088 -7.616 11.295 432 2HD1 ILE 55 2HD1 ILE 55 10.706 -7.750 9.579 433 3HD1 ILE 55 3HD1 ILE 55 9.860 -6.572 10.581 434 H THR 56 H THR 56 13.273 -5.591 6.164 435 HA THR 56 HA THR 56 14.231 -8.280 6.887 436 HB THR 56 HB THR 56 14.774 -6.989 4.224 437 HG1 THR 56 1HG THR 56 12.591 -8.668 4.897 438 1HG2 THR 56 1HG2 THR 56 14.584 -9.628 3.759 439 2HG2 THR 56 2HG2 THR 56 15.203 -9.640 5.411 440 3HG2 THR 56 3HG2 THR 56 16.093 -8.799 4.142 441 H GLU 57 H GLU 57 15.855 -7.904 8.268 442 HA GLU 57 HA GLU 57 17.693 -5.691 7.799 443 1HB GLU 57 2HB GLU 57 17.709 -7.683 10.070 444 2HB GLU 57 1HB GLU 57 18.555 -6.143 10.002 445 1HG GLU 57 2HG GLU 57 16.609 -4.914 10.295 446 2HG GLU 57 1HG GLU 57 15.575 -6.255 9.808 447 H THR 58 H THR 58 18.117 -9.125 8.679 448 HA THR 58 HA THR 58 20.788 -9.230 7.740 449 HB THR 58 HB THR 58 18.862 -11.508 8.237 450 HG1 THR 58 1HG THR 58 20.644 -10.129 9.948 451 1HG2 THR 58 1HG2 THR 58 20.874 -12.826 8.713 452 2HG2 THR 58 2HG2 THR 58 21.868 -11.476 8.167 453 3HG2 THR 58 3HG2 THR 58 20.795 -12.295 7.033 454 H GLY 59 H GLY 59 17.800 -10.674 6.420 455 1HA GLY 59 2HA GLY 59 17.553 -10.150 3.941 456 2HA GLY 59 1HA GLY 59 19.163 -10.842 3.807 457 H SER 60 H SER 60 15.783 -11.489 4.228 458 HA SER 60 HA SER 60 16.220 -14.360 4.445 459 1HB SER 60 2HB SER 60 14.409 -13.036 5.719 460 2HB SER 60 1HB SER 60 13.537 -13.016 4.186 461 HG SER 60 HG SER 60 14.510 -15.405 5.347 462 H GLN 61 H GLN 61 15.046 -15.835 2.994 463 HA GLN 61 HA GLN 61 14.345 -14.803 0.373 464 1HB GLN 61 2HB GLN 61 16.774 -15.109 0.211 465 2HB GLN 61 1HB GLN 61 16.606 -16.778 0.742 466 1HG GLN 61 2HG GLN 61 15.814 -17.487 -1.266 467 2HG GLN 61 1HG GLN 61 15.066 -15.935 -1.645 468 1HE2 GLN 61 1HE2 GLN 61 17.598 -17.982 -2.314 469 2HE2 GLN 61 2HE2 GLN 61 18.638 -16.871 -3.132 470 H GLU 62 H GLU 62 14.944 -17.711 2.322 471 HA GLU 62 HA GLU 62 12.309 -18.706 1.734 472 1HB GLU 62 2HB GLU 62 14.546 -19.578 0.150 473 2HB GLU 62 1HB GLU 62 13.930 -20.928 1.091 474 1HG GLU 62 2HG GLU 62 11.620 -19.921 0.170 475 2HG GLU 62 1HG GLU 62 12.703 -19.454 -1.141 476 H GLY 63 H GLY 63 12.239 -21.129 2.654 477 1HA GLY 63 2HA GLY 63 13.934 -21.390 5.017 478 2HA GLY 63 1HA GLY 63 12.213 -21.176 5.299 479 H GLY 64 H GLY 64 10.798 -22.744 4.001 480 1HA GLY 64 2HA GLY 64 10.203 -24.900 3.455 481 2HA GLY 64 1HA GLY 64 11.908 -25.246 3.210 482 H GLU 65 H GLU 65 10.729 -23.986 6.237 483 HA GLU 65 HA GLU 65 11.842 -26.156 7.697 484 1HB GLU 65 2HB GLU 65 10.053 -23.867 8.517 485 2HB GLU 65 1HB GLU 65 10.692 -25.044 9.657 486 1HG GLU 65 2HG GLU 65 12.568 -23.896 9.827 487 2HG GLU 65 1HG GLU 65 12.848 -24.054 8.093 488 H GLY 66 H GLY 66 10.715 -27.937 6.666 489 1HA GLY 66 2HA GLY 66 9.253 -29.703 7.112 490 2HA GLY 66 1HA GLY 66 8.322 -28.636 8.153 491 H LEU 67 H LEU 67 7.190 -30.426 6.292 492 HA LEU 67 HA LEU 67 6.504 -29.184 3.851 493 1HB LEU 67 2HB LEU 67 5.493 -31.490 5.431 494 2HB LEU 67 1HB LEU 67 4.436 -30.838 4.193 495 HG LEU 67 HG LEU 67 5.805 -32.759 3.423 496 1HD1 LEU 67 1HD1 LEU 67 4.942 -30.974 1.898 497 2HD1 LEU 67 2HD1 LEU 67 6.369 -31.826 1.307 498 3HD1 LEU 67 3HD1 LEU 67 6.530 -30.210 1.996 499 1HD2 LEU 67 1HD2 LEU 67 7.810 -32.157 4.793 500 2HD2 LEU 67 2HD2 LEU 67 8.142 -30.871 3.633 501 3HD2 LEU 67 3HD2 LEU 67 8.160 -32.556 3.111 502 H SER 68 H SER 68 5.170 -29.003 7.075 503 HA SER 68 HA SER 68 2.687 -27.830 6.399 504 1HB SER 68 2HB SER 68 3.907 -27.079 8.991 505 2HB SER 68 1HB SER 68 2.315 -27.755 8.646 506 HG SER 68 HG SER 68 4.749 -29.050 9.094 507 H LYS 69 H LYS 69 3.112 -26.210 4.866 508 HA LYS 69 HA LYS 69 4.219 -23.741 6.025 509 1HB LYS 69 2HB LYS 69 5.650 -24.991 4.237 510 2HB LYS 69 1HB LYS 69 4.483 -24.333 3.099 511 1HG LYS 69 2HG LYS 69 5.068 -22.093 4.409 512 2HG LYS 69 1HG LYS 69 6.578 -22.967 4.676 513 1HD LYS 69 2HD LYS 69 7.093 -23.029 2.427 514 2HD LYS 69 1HD LYS 69 5.409 -22.852 1.930 515 1HE LYS 69 2HE LYS 69 5.404 -20.558 2.333 516 2HE LYS 69 1HE LYS 69 6.824 -20.642 3.372 517 1HZ LYS 69 1HZ LYS 69 8.146 -21.205 1.394 518 2HZ LYS 69 2HZ LYS 69 7.418 -19.683 1.270 519 3HZ LYS 69 3HZ LYS 69 6.773 -20.999 0.425 520 H GLU 70 H GLU 70 1.461 -25.113 5.132 521 HA GLU 70 HA GLU 70 -0.584 -24.370 4.480 522 1HB GLU 70 2HB GLU 70 0.749 -21.761 5.177 523 2HB GLU 70 1HB GLU 70 -0.918 -21.832 4.626 524 1HG GLU 70 2HG GLU 70 -1.657 -22.841 6.540 525 2HG GLU 70 1HG GLU 70 -0.091 -23.569 6.892 526 HA PRO 71 HA PRO 71 -0.698 -23.655 0.145 527 1HB PRO 71 2HB PRO 71 -2.764 -21.561 0.609 528 2HB PRO 71 1HB PRO 71 -2.819 -22.986 -0.435 529 1HG PRO 71 2HG PRO 71 -4.153 -22.941 1.867 530 2HG PRO 71 1HG PRO 71 -3.335 -24.415 1.317 531 1HD PRO 71 2HD PRO 71 -2.515 -22.463 3.424 532 2HD PRO 71 1HD PRO 71 -2.326 -24.228 3.383 533 H ALA 72 H ALA 72 0.749 -22.565 -1.013 534 HA ALA 72 HA ALA 72 0.784 -19.724 -1.169 535 1HB ALA 72 1HB ALA 72 3.408 -20.620 -0.170 536 2HB ALA 72 2HB ALA 72 2.107 -20.563 1.020 537 3HB ALA 72 3HB ALA 72 2.537 -19.112 0.114 538 H GLY 73 H GLY 73 2.796 -22.631 -1.588 539 1HA GLY 73 2HA GLY 73 3.690 -21.567 -4.182 540 2HA GLY 73 1HA GLY 73 4.484 -22.847 -3.277 541 H SER 74 H SER 74 1.523 -22.080 -5.068 542 HA SER 74 HA SER 74 1.064 -24.933 -5.524 543 1HB SER 74 2HB SER 74 -0.616 -22.473 -5.713 544 2HB SER 74 1HB SER 74 -1.031 -23.842 -6.746 545 HG SER 74 HG SER 74 -2.048 -24.467 -5.003 546 H ASP 75 H ASP 75 3.325 -23.952 -6.777 547 HA ASP 75 HA ASP 75 4.383 -23.932 -8.789 548 1HB ASP 75 2HB ASP 75 1.992 -25.568 -9.205 549 2HB ASP 75 1HB ASP 75 2.593 -24.835 -10.689 550 H GLU 76 H GLU 76 4.731 -21.855 -9.318 551 HA GLU 76 HA GLU 76 2.622 -20.087 -10.125 552 1HB GLU 76 2HB GLU 76 5.609 -19.683 -10.343 553 2HB GLU 76 1HB GLU 76 4.374 -18.433 -10.417 554 1HG GLU 76 2HG GLU 76 4.224 -18.290 -8.199 555 2HG GLU 76 1HG GLU 76 4.242 -20.040 -7.991 556 H GLN 77 H GLN 77 1.672 -20.339 -12.040 557 HA GLN 77 HA GLN 77 3.354 -20.994 -14.366 558 1HB GLN 77 2HB GLN 77 1.245 -21.774 -15.432 559 2HB GLN 77 1HB GLN 77 1.681 -22.687 -13.994 560 1HG GLN 77 2HG GLN 77 0.068 -21.366 -12.693 561 2HG GLN 77 1HG GLN 77 -0.396 -20.517 -14.166 562 1HE2 GLN 77 1HE2 GLN 77 -2.108 -21.276 -15.165 563 2HE2 GLN 77 2HE2 GLN 77 -2.721 -22.889 -15.064 564 H LYS 78 H LYS 78 3.621 -19.494 -15.879 565 HA LYS 78 HA LYS 78 1.555 -17.558 -16.462 566 1HB LYS 78 2HB LYS 78 3.301 -16.810 -14.526 567 2HB LYS 78 1HB LYS 78 4.160 -16.256 -15.957 568 1HG LYS 78 2HG LYS 78 2.643 -14.636 -16.411 569 2HG LYS 78 1HG LYS 78 1.290 -15.568 -15.768 570 1HD LYS 78 2HD LYS 78 1.802 -14.989 -13.552 571 2HD LYS 78 1HD LYS 78 3.426 -14.446 -13.979 572 1HE LYS 78 2HE LYS 78 2.553 -12.523 -15.111 573 2HE LYS 78 1HE LYS 78 0.899 -13.110 -14.934 574 1HZ LYS 78 1HZ LYS 78 1.659 -13.043 -12.393 575 2HZ LYS 78 2HZ LYS 78 0.935 -11.728 -13.173 576 3HZ LYS 78 3HZ LYS 78 2.616 -11.786 -12.998 577 H GLN 79 H GLN 79 1.656 -18.692 -18.470 578 HA GLN 79 HA GLN 79 4.102 -18.525 -20.023 579 1HB GLN 79 2HB GLN 79 2.187 -20.397 -19.975 580 2HB GLN 79 1HB GLN 79 1.552 -19.398 -21.274 581 1HG GLN 79 2HG GLN 79 4.034 -19.583 -22.150 582 2HG GLN 79 1HG GLN 79 4.011 -21.052 -21.175 583 1HE2 GLN 79 1HE2 GLN 79 2.087 -19.339 -23.609 584 2HE2 GLN 79 2HE2 GLN 79 1.574 -20.756 -24.454 585 H LEU 80 H LEU 80 4.559 -16.544 -20.768 586 HA LEU 80 HA LEU 80 3.055 -15.387 -22.838 587 1HB LEU 80 2HB LEU 80 2.376 -13.283 -21.706 588 2HB LEU 80 1HB LEU 80 1.485 -14.695 -21.173 589 HG LEU 80 HG LEU 80 3.436 -14.657 -19.308 590 1HD1 LEU 80 1HD1 LEU 80 4.011 -12.351 -20.570 591 2HD1 LEU 80 2HD1 LEU 80 4.304 -12.629 -18.853 592 3HD1 LEU 80 3HD1 LEU 80 2.854 -11.770 -19.372 593 1HD2 LEU 80 1HD2 LEU 80 1.292 -14.828 -18.509 594 2HD2 LEU 80 2HD2 LEU 80 0.715 -13.449 -19.445 595 3HD2 LEU 80 3HD2 LEU 80 1.697 -13.188 -18.002 596 H ARG 81 H ARG 81 4.468 -14.318 -24.053 597 HA ARG 81 HA ARG 81 6.993 -13.465 -22.833 598 1HB ARG 81 2HB ARG 81 6.167 -14.337 -25.554 599 2HB ARG 81 1HB ARG 81 7.475 -13.166 -25.446 600 1HG ARG 81 2HG ARG 81 8.306 -14.954 -23.620 601 2HG ARG 81 1HG ARG 81 7.415 -16.016 -24.712 602 1HD ARG 81 2HD ARG 81 8.884 -14.363 -26.394 603 2HD ARG 81 1HD ARG 81 9.985 -14.726 -25.065 604 HE ARG 81 HE ARG 81 8.979 -17.149 -25.702 605 1HH1 ARG 81 1HH1 ARG 81 10.461 -14.619 -27.595 606 2HH1 ARG 81 2HH1 ARG 81 11.126 -15.711 -28.763 607 1HH2 ARG 81 1HH2 ARG 81 9.854 -18.587 -27.237 608 2HH2 ARG 81 2HH2 ARG 81 10.782 -17.963 -28.560 609 H ALA 82 H ALA 82 7.907 -11.413 -23.319 610 HA ALA 82 HA ALA 82 5.905 -9.326 -23.543 611 1HB ALA 82 1HB ALA 82 7.445 -7.897 -22.594 612 2HB ALA 82 2HB ALA 82 8.826 -8.771 -23.258 613 3HB ALA 82 3HB ALA 82 7.925 -9.444 -21.898 614 H ASP 83 H ASP 83 6.169 -7.495 -24.973 615 HA ASP 83 HA ASP 83 7.983 -7.381 -27.096 616 1HB ASP 83 2HB ASP 83 5.924 -9.320 -27.488 617 2HB ASP 83 1HB ASP 83 5.641 -7.988 -28.605 618 HA PRO 84 HA PRO 84 4.402 -4.320 -28.045 619 1HB PRO 84 2HB PRO 84 2.069 -4.559 -26.699 620 2HB PRO 84 1HB PRO 84 2.400 -5.447 -28.191 621 1HG PRO 84 2HG PRO 84 2.584 -6.378 -25.351 622 2HG PRO 84 1HG PRO 84 1.903 -7.213 -26.759 623 1HD PRO 84 2HD PRO 84 4.382 -7.745 -25.791 624 2HD PRO 84 1HD PRO 84 3.969 -7.895 -27.511 625 HA PRO 85 HA PRO 85 5.811 -2.238 -24.248 626 1HB PRO 85 2HB PRO 85 6.165 0.193 -25.405 627 2HB PRO 85 1HB PRO 85 7.355 -1.108 -25.520 628 1HG PRO 85 2HG PRO 85 5.282 -0.256 -27.506 629 2HG PRO 85 1HG PRO 85 6.979 -0.697 -27.779 630 1HD PRO 85 2HD PRO 85 4.942 -2.411 -28.250 631 2HD PRO 85 1HD PRO 85 6.535 -2.959 -27.691 632 H SER 86 H SER 86 5.108 -0.103 -23.223 633 HA SER 86 HA SER 86 2.492 0.864 -23.975 634 1HB SER 86 2HB SER 86 2.918 -0.808 -21.502 635 2HB SER 86 1HB SER 86 1.597 0.355 -21.622 636 HG SER 86 HG SER 86 0.841 -0.778 -23.437 637 H THR 87 H THR 87 2.388 2.967 -23.543 638 HA THR 87 HA THR 87 3.701 4.058 -21.189 639 HB THR 87 HB THR 87 4.391 5.867 -23.238 640 HG1 THR 87 1HG THR 87 4.129 3.983 -24.627 641 1HG2 THR 87 1HG2 THR 87 5.749 4.283 -21.223 642 2HG2 THR 87 2HG2 THR 87 6.074 5.919 -21.795 643 3HG2 THR 87 3HG2 THR 87 6.720 4.534 -22.674 644 H ASP 88 H ASP 88 2.439 5.460 -24.213 645 HA ASP 88 HA ASP 88 -0.057 6.221 -23.152 646 1HB ASP 88 2HB ASP 88 0.407 8.720 -23.092 647 2HB ASP 88 1HB ASP 88 1.058 7.781 -21.752 648 H LEU 89 H LEU 89 2.509 7.355 -25.343 649 HA LEU 89 HA LEU 89 0.467 7.574 -27.456 650 1HB LEU 89 2HB LEU 89 2.573 9.393 -26.601 651 2HB LEU 89 1HB LEU 89 2.663 9.039 -28.316 652 HG LEU 89 HG LEU 89 1.354 11.013 -28.063 653 1HD1 LEU 89 1HD1 LEU 89 0.559 9.147 -29.624 654 2HD1 LEU 89 2HD1 LEU 89 -0.584 10.433 -29.231 655 3HD1 LEU 89 3HD1 LEU 89 -0.710 8.867 -28.431 656 1HD2 LEU 89 1HD2 LEU 89 -0.157 11.418 -26.435 657 2HD2 LEU 89 2HD2 LEU 89 0.728 10.142 -25.601 658 3HD2 LEU 89 3HD2 LEU 89 -0.775 9.766 -26.444 659 H ASN 90 H ASN 90 3.688 6.464 -26.613 660 HA ASN 90 HA ASN 90 4.722 5.717 -29.042 661 1HB ASN 90 2HB ASN 90 4.977 4.657 -26.276 662 2HB ASN 90 1HB ASN 90 5.594 3.652 -27.583 663 1HD2 ASN 90 1HD2 ASN 90 6.859 5.065 -29.260 664 2HD2 ASN 90 2HD2 ASN 90 8.059 6.092 -28.561 665 H THR 91 H THR 91 2.353 3.935 -27.082 666 HA THR 91 HA THR 91 2.267 1.608 -28.643 667 HB THR 91 HB THR 91 -0.235 2.556 -27.347 668 HG1 THR 91 1HG THR 91 2.192 2.078 -25.976 669 1HG2 THR 91 1HG2 THR 91 0.120 0.218 -28.212 670 2HG2 THR 91 2HG2 THR 91 -0.408 0.358 -26.535 671 3HG2 THR 91 3HG2 THR 91 1.280 0.007 -26.900 672 H PHE 92 H PHE 92 1.189 4.748 -29.441 673 HA PHE 92 HA PHE 92 -0.668 3.703 -31.459 674 1HB PHE 92 2HB PHE 92 -0.328 6.566 -30.538 675 2HB PHE 92 1HB PHE 92 -1.615 5.935 -31.551 676 HD1 PHE 92 2HD PHE 92 -0.118 5.468 -28.174 677 HD2 PHE 92 1HD PHE 92 -3.622 5.347 -30.586 678 HE1 PHE 92 2HE PHE 92 -1.477 5.022 -26.173 679 HE2 PHE 92 1HE PHE 92 -4.987 4.905 -28.588 680 HZ PHE 92 HZ PHE 92 -3.914 4.741 -26.378 681 H THR 93 H THR 93 0.475 3.222 -33.247 682 HA THR 93 HA THR 93 2.713 4.883 -34.053 683 HB THR 93 HB THR 93 3.061 3.168 -35.802 684 HG1 THR 93 1HG THR 93 0.880 1.818 -34.600 685 1HG2 THR 93 1HG2 THR 93 3.768 1.390 -34.425 686 2HG2 THR 93 2HG2 THR 93 2.604 1.809 -33.167 687 3HG2 THR 93 3HG2 THR 93 3.977 2.868 -33.485 688 H VAL 94 H VAL 94 0.446 3.378 -36.308 689 HA VAL 94 HA VAL 94 -0.444 5.993 -37.241 690 HB VAL 94 HB VAL 94 0.807 4.023 -39.149 691 1HG1 VAL 94 1HG1 VAL 94 -1.059 5.934 -39.664 692 2HG1 VAL 94 2HG1 VAL 94 0.123 5.341 -40.831 693 3HG1 VAL 94 3HG1 VAL 94 0.440 6.823 -39.931 694 1HG2 VAL 94 1HG2 VAL 94 2.540 4.962 -37.749 695 2HG2 VAL 94 2HG2 VAL 94 1.922 6.590 -38.028 696 3HG2 VAL 94 3HG2 VAL 94 2.629 5.675 -39.360 697 H GLU 95 H GLU 95 -0.512 2.550 -38.105 698 HA GLU 95 HA GLU 95 -3.167 2.667 -39.148 699 1HB GLU 95 2HB GLU 95 -2.970 0.238 -39.354 700 2HB GLU 95 1HB GLU 95 -1.532 1.039 -39.972 701 1HG GLU 95 2HG GLU 95 -0.519 0.603 -37.669 702 2HG GLU 95 1HG GLU 95 -1.865 -0.510 -37.431 703 H GLN 96 H GLN 96 -1.844 2.332 -36.025 704 HA GLN 96 HA GLN 96 -4.065 0.903 -34.882 705 1HB GLN 96 2HB GLN 96 -1.778 2.349 -33.522 706 2HB GLN 96 1HB GLN 96 -2.905 1.238 -32.752 707 1HG GLN 96 2HG GLN 96 -1.406 0.213 -35.082 708 2HG GLN 96 1HG GLN 96 -0.490 0.508 -33.605 709 1HE2 GLN 96 1HE2 GLN 96 -0.208 -1.325 -32.566 710 2HE2 GLN 96 2HE2 GLN 96 -1.397 -2.553 -32.322 711 H LEU 97 H LEU 97 -3.237 4.146 -35.563 712 HA LEU 97 HA LEU 97 -4.930 5.300 -33.550 713 1HB LEU 97 2HB LEU 97 -4.044 6.734 -36.034 714 2HB LEU 97 1HB LEU 97 -4.435 7.392 -34.480 715 HG LEU 97 HG LEU 97 -2.316 7.356 -33.807 716 1HD1 LEU 97 1HD1 LEU 97 -2.474 4.847 -33.501 717 2HD1 LEU 97 2HD1 LEU 97 -0.865 5.510 -33.778 718 3HD1 LEU 97 3HD1 LEU 97 -1.717 4.709 -35.088 719 1HD2 LEU 97 1HD2 LEU 97 -0.639 7.192 -35.639 720 2HD2 LEU 97 2HD2 LEU 97 -1.996 8.262 -35.966 721 3HD2 LEU 97 3HD2 LEU 97 -1.944 6.669 -36.700 722 H LYS 98 H LYS 98 -4.996 5.155 -37.094 723 HA LYS 98 HA LYS 98 -7.592 6.076 -37.477 724 1HB LYS 98 2HB LYS 98 -7.494 4.953 -39.661 725 2HB LYS 98 1HB LYS 98 -6.007 5.819 -39.304 726 1HG LYS 98 2HG LYS 98 -5.156 3.539 -38.443 727 2HG LYS 98 1HG LYS 98 -6.502 2.874 -39.372 728 1HD LYS 98 2HD LYS 98 -4.424 2.900 -40.675 729 2HD LYS 98 1HD LYS 98 -5.657 3.940 -41.391 730 1HE LYS 98 2HE LYS 98 -4.419 5.784 -41.111 731 2HE LYS 98 1HE LYS 98 -3.952 5.327 -39.473 732 1HZ LYS 98 1HZ LYS 98 -2.751 3.997 -41.819 733 2HZ LYS 98 2HZ LYS 98 -2.145 4.118 -40.245 734 3HZ LYS 98 3HZ LYS 98 -2.145 5.473 -41.257 735 H ALA 99 H ALA 99 -6.475 2.896 -36.492 736 HA ALA 99 HA ALA 99 -9.055 1.679 -36.941 737 1HB ALA 99 1HB ALA 99 -6.627 0.617 -37.024 738 2HB ALA 99 2HB ALA 99 -8.054 -0.333 -36.611 739 3HB ALA 99 3HB ALA 99 -7.005 0.283 -35.334 740 H GLN 100 H GLN 100 -7.313 3.043 -34.317 741 HA GLN 100 HA GLN 100 -9.189 2.052 -32.339 742 1HB GLN 100 2HB GLN 100 -6.687 3.699 -32.207 743 2HB GLN 100 1HB GLN 100 -7.785 3.647 -30.836 744 1HG GLN 100 2HG GLN 100 -7.237 0.995 -31.813 745 2HG GLN 100 1HG GLN 100 -5.744 1.855 -31.440 746 1HE2 GLN 100 1HE2 GLN 100 -5.508 0.258 -29.755 747 2HE2 GLN 100 2HE2 GLN 100 -6.318 0.483 -28.246 748 H LEU 101 H LEU 101 -8.754 4.820 -34.330 749 HA LEU 101 HA LEU 101 -10.303 6.613 -32.720 750 1HB LEU 101 2HB LEU 101 -8.721 6.772 -35.093 751 2HB LEU 101 1HB LEU 101 -10.305 7.435 -35.443 752 HG LEU 101 HG LEU 101 -8.388 8.350 -33.302 753 1HD1 LEU 101 1HD1 LEU 101 -7.810 10.025 -34.665 754 2HD1 LEU 101 2HD1 LEU 101 -9.460 10.254 -35.243 755 3HD1 LEU 101 3HD1 LEU 101 -8.447 8.995 -35.947 756 1HD2 LEU 101 1HD2 LEU 101 -10.059 9.277 -32.180 757 2HD2 LEU 101 2HD2 LEU 101 -11.200 8.453 -33.247 758 3HD2 LEU 101 3HD2 LEU 101 -10.640 10.078 -33.642 759 H THR 102 H THR 102 -10.879 4.582 -35.553 760 HA THR 102 HA THR 102 -13.533 5.410 -36.029 761 HB THR 102 HB THR 102 -13.425 2.771 -36.876 762 HG1 THR 102 1HG THR 102 -10.883 3.877 -37.391 763 1HG2 THR 102 1HG2 THR 102 -14.182 4.417 -38.357 764 2HG2 THR 102 2HG2 THR 102 -12.720 3.753 -39.086 765 3HG2 THR 102 3HG2 THR 102 -12.666 5.314 -38.265 766 H GLU 103 H GLU 103 -12.150 2.782 -34.120 767 HA GLU 103 HA GLU 103 -14.720 1.826 -33.284 768 1HB GLU 103 2HB GLU 103 -11.916 1.047 -32.877 769 2HB GLU 103 1HB GLU 103 -12.969 0.714 -31.509 770 1HG GLU 103 2HG GLU 103 -13.573 -1.153 -32.524 771 2HG GLU 103 1HG GLU 103 -14.387 -0.166 -33.737 772 H ARG 104 H ARG 104 -12.953 4.462 -32.458 773 HA ARG 104 HA ARG 104 -13.959 4.538 -29.696 774 1HB ARG 104 2HB ARG 104 -11.549 4.797 -29.885 775 2HB ARG 104 1HB ARG 104 -11.750 6.100 -31.043 776 1HG ARG 104 2HG ARG 104 -13.082 7.209 -29.065 777 2HG ARG 104 1HG ARG 104 -12.105 6.106 -28.096 778 1HD ARG 104 2HD ARG 104 -10.459 7.595 -28.209 779 2HD ARG 104 1HD ARG 104 -10.327 7.228 -29.927 780 HE ARG 104 HE ARG 104 -12.291 9.065 -29.876 781 1HH1 ARG 104 1HH1 ARG 104 -9.104 9.008 -28.451 782 2HH1 ARG 104 2HH1 ARG 104 -8.906 10.727 -28.524 783 1HH2 ARG 104 1HH2 ARG 104 -12.031 11.325 -29.969 784 2HH2 ARG 104 2HH2 ARG 104 -10.566 12.042 -29.385 785 H GLY 105 H GLY 105 -14.421 5.834 -32.817 786 1HA GLY 105 2HA GLY 105 -16.701 7.108 -32.645 787 2HA GLY 105 1HA GLY 105 -15.691 8.273 -31.802 788 H ILE 106 H ILE 106 -13.458 8.460 -33.169 789 HA ILE 106 HA ILE 106 -12.500 9.551 -34.880 790 HB ILE 106 HB ILE 106 -12.655 7.293 -35.856 791 1HG1 ILE 106 2HG1 ILE 106 -12.256 7.977 -38.176 792 2HG1 ILE 106 1HG1 ILE 106 -13.002 9.538 -37.851 793 1HG2 ILE 106 1HG2 ILE 106 -14.912 6.805 -36.091 794 2HG2 ILE 106 2HG2 ILE 106 -14.378 7.071 -37.749 795 3HG2 ILE 106 3HG2 ILE 106 -15.261 8.334 -36.894 796 1HD1 ILE 106 1HD1 ILE 106 -10.299 8.730 -37.492 797 2HD1 ILE 106 2HD1 ILE 106 -10.978 9.181 -35.930 798 3HD1 ILE 106 3HD1 ILE 106 -11.023 10.323 -37.270 799 H THR 107 H THR 107 -12.676 11.386 -36.004 800 HA THR 107 HA THR 107 -15.141 12.195 -37.259 801 HB THR 107 HB THR 107 -15.159 14.380 -35.934 802 HG1 THR 107 1HG THR 107 -13.192 14.166 -34.873 803 1HG2 THR 107 1HG2 THR 107 -16.718 12.338 -35.596 804 2HG2 THR 107 2HG2 THR 107 -16.677 13.623 -34.390 805 3HG2 THR 107 3HG2 THR 107 -15.801 12.118 -34.105 806 H PHE 108 H PHE 108 -12.283 11.718 -37.900 807 HA PHE 108 HA PHE 108 -10.983 14.182 -38.357 808 1HB PHE 108 2HB PHE 108 -9.610 12.798 -40.012 809 2HB PHE 108 1HB PHE 108 -9.586 12.299 -38.328 810 HD1 PHE 108 2HD PHE 108 -12.633 11.492 -40.077 811 HD2 PHE 108 1HD PHE 108 -8.672 10.158 -39.257 812 HE1 PHE 108 2HE PHE 108 -13.261 9.216 -40.755 813 HE2 PHE 108 1HE PHE 108 -9.299 7.880 -39.933 814 HZ PHE 108 HZ PHE 108 -11.594 7.406 -40.684 815 H LYS 109 H LYS 109 -12.475 15.573 -39.326 816 HA LYS 109 HA LYS 109 -13.850 14.988 -41.731 817 1HB LYS 109 2HB LYS 109 -13.115 17.655 -40.511 818 2HB LYS 109 1HB LYS 109 -14.253 17.431 -41.833 819 1HG LYS 109 2HG LYS 109 -14.889 15.773 -39.537 820 2HG LYS 109 1HG LYS 109 -14.850 17.492 -39.142 821 1HD LYS 109 2HD LYS 109 -16.201 17.143 -41.637 822 2HD LYS 109 1HD LYS 109 -16.896 16.039 -40.449 823 1HE LYS 109 2HE LYS 109 -17.125 17.963 -38.888 824 2HE LYS 109 1HE LYS 109 -16.578 19.025 -40.185 825 1HZ LYS 109 1HZ LYS 109 -19.078 18.746 -39.822 826 2HZ LYS 109 2HZ LYS 109 -18.896 17.238 -40.565 827 3HZ LYS 109 3HZ LYS 109 -18.496 18.647 -41.408 828 H GLN 110 H GLN 110 -11.890 14.018 -42.801 829 HA GLN 110 HA GLN 110 -10.214 14.064 -44.345 830 1HB GLN 110 2HB GLN 110 -12.199 15.190 -45.510 831 2HB GLN 110 1HB GLN 110 -11.361 16.708 -45.219 832 1HG GLN 110 2HG GLN 110 -9.762 16.286 -46.767 833 2HG GLN 110 1HG GLN 110 -9.818 14.542 -46.514 834 1HE2 GLN 110 1HE2 GLN 110 -10.942 17.180 -48.362 835 2HE2 GLN 110 2HE2 GLN 110 -11.962 16.293 -49.438 836 H SER 111 H SER 111 -9.723 15.419 -41.754 837 HA SER 111 HA SER 111 -7.610 17.280 -42.625 838 1HB SER 111 2HB SER 111 -7.828 18.425 -40.492 839 2HB SER 111 1HB SER 111 -9.406 18.347 -41.276 840 HG SER 111 HG SER 111 -9.831 16.493 -39.937 841 H ALA 112 H ALA 112 -8.410 14.500 -40.675 842 HA ALA 112 HA ALA 112 -5.799 14.400 -39.436 843 1HB ALA 112 1HB ALA 112 -8.100 13.607 -38.475 844 2HB ALA 112 2HB ALA 112 -6.616 12.737 -38.087 845 3HB ALA 112 3HB ALA 112 -7.704 12.115 -39.328 846 H THR 113 H THR 113 -4.646 14.350 -41.516 847 HA THR 113 HA THR 113 -4.865 12.193 -43.313 848 HB THR 113 HB THR 113 -2.208 13.461 -42.964 849 HG1 THR 113 1HG THR 113 -2.879 15.432 -43.164 850 1HG2 THR 113 1HG2 THR 113 -3.770 13.644 -45.462 851 2HG2 THR 113 2HG2 THR 113 -3.235 12.041 -44.954 852 3HG2 THR 113 3HG2 THR 113 -2.053 13.325 -45.211 853 H LYS 114 H LYS 114 -2.093 12.792 -41.138 854 HA LYS 114 HA LYS 114 -2.183 10.072 -40.194 855 1HB LYS 114 2HB LYS 114 -0.339 10.912 -42.314 856 2HB LYS 114 1HB LYS 114 0.452 10.123 -40.956 857 1HG LYS 114 2HG LYS 114 -0.760 8.136 -41.264 858 2HG LYS 114 1HG LYS 114 -1.927 8.918 -42.330 859 1HD LYS 114 2HD LYS 114 0.380 9.390 -43.668 860 2HD LYS 114 1HD LYS 114 0.746 7.837 -42.915 861 1HE LYS 114 2HE LYS 114 -0.269 7.024 -44.762 862 2HE LYS 114 1HE LYS 114 -1.728 7.327 -43.820 863 1HZ LYS 114 1HZ LYS 114 -2.315 8.462 -45.653 864 2HZ LYS 114 2HZ LYS 114 -0.722 8.701 -46.170 865 3HZ LYS 114 3HZ LYS 114 -1.381 9.698 -44.973 866 H ALA 115 H ALA 115 -0.362 13.094 -40.315 867 HA ALA 115 HA ALA 115 0.924 12.543 -37.795 868 1HB ALA 115 1HB ALA 115 2.030 14.616 -38.052 869 2HB ALA 115 2HB ALA 115 0.814 15.210 -39.185 870 3HB ALA 115 3HB ALA 115 1.924 13.928 -39.673 871 H GLU 116 H GLU 116 -1.979 14.013 -38.906 872 HA GLU 116 HA GLU 116 -2.450 15.459 -36.440 873 1HB GLU 116 2HB GLU 116 -4.165 15.052 -38.887 874 2HB GLU 116 1HB GLU 116 -4.634 16.029 -37.504 875 1HG GLU 116 2HG GLU 116 -2.097 16.938 -38.266 876 2HG GLU 116 1HG GLU 116 -3.009 16.719 -39.759 877 H LEU 117 H LEU 117 -3.577 12.499 -38.020 878 HA LEU 117 HA LEU 117 -5.556 12.023 -35.985 879 1HB LEU 117 2HB LEU 117 -6.349 10.365 -37.285 880 2HB LEU 117 1HB LEU 117 -5.435 11.195 -38.512 881 HG LEU 117 HG LEU 117 -4.765 8.612 -37.132 882 1HD1 LEU 117 1HD1 LEU 117 -4.445 8.110 -39.678 883 2HD1 LEU 117 2HD1 LEU 117 -5.467 9.530 -39.880 884 3HD1 LEU 117 3HD1 LEU 117 -6.059 8.141 -38.970 885 1HD2 LEU 117 1HD2 LEU 117 -2.734 8.874 -38.817 886 2HD2 LEU 117 2HD2 LEU 117 -2.639 9.416 -37.147 887 3HD2 LEU 117 3HD2 LEU 117 -2.965 10.578 -38.428 888 H ILE 118 H ILE 118 -2.205 11.428 -36.296 889 HA ILE 118 HA ILE 118 -2.218 9.275 -34.359 890 HB ILE 118 HB ILE 118 -0.481 9.396 -36.157 891 1HG1 ILE 118 2HG1 ILE 118 -0.238 8.159 -33.952 892 2HG1 ILE 118 1HG1 ILE 118 1.252 8.506 -34.820 893 1HG2 ILE 118 1HG2 ILE 118 1.442 10.877 -35.874 894 2HG2 ILE 118 2HG2 ILE 118 0.614 11.699 -34.556 895 3HG2 ILE 118 3HG2 ILE 118 -0.040 11.774 -36.196 896 1HD1 ILE 118 1HD1 ILE 118 2.050 9.420 -32.976 897 2HD1 ILE 118 2HD1 ILE 118 0.498 9.219 -32.162 898 3HD1 ILE 118 3HD1 ILE 118 0.823 10.679 -33.096 899 H ALA 119 H ALA 119 -1.941 12.733 -34.441 900 HA ALA 119 HA ALA 119 -1.004 12.925 -31.700 901 1HB ALA 119 1HB ALA 119 -1.323 14.768 -33.967 902 2HB ALA 119 2HB ALA 119 -0.096 14.724 -32.702 903 3HB ALA 119 3HB ALA 119 -1.665 15.463 -32.383 904 H LEU 120 H LEU 120 -3.945 13.290 -33.567 905 HA LEU 120 HA LEU 120 -5.604 14.624 -31.835 906 1HB LEU 120 2HB LEU 120 -6.007 13.552 -34.204 907 2HB LEU 120 1HB LEU 120 -6.666 12.228 -33.263 908 HG LEU 120 HG LEU 120 -8.005 14.261 -32.128 909 1HD1 LEU 120 1HD1 LEU 120 -8.190 15.184 -34.921 910 2HD1 LEU 120 2HD1 LEU 120 -6.731 15.649 -34.046 911 3HD1 LEU 120 3HD1 LEU 120 -8.316 16.087 -33.411 912 1HD2 LEU 120 1HD2 LEU 120 -9.159 12.382 -32.937 913 2HD2 LEU 120 2HD2 LEU 120 -8.644 12.676 -34.599 914 3HD2 LEU 120 3HD2 LEU 120 -9.819 13.747 -33.838 915 H PHE 121 H PHE 121 -4.735 11.200 -31.784 916 HA PHE 121 HA PHE 121 -6.510 10.242 -29.907 917 1HB PHE 121 2HB PHE 121 -3.792 9.494 -30.796 918 2HB PHE 121 1HB PHE 121 -4.286 8.854 -29.231 919 HD1 PHE 121 2HD PHE 121 -5.177 9.008 -32.806 920 HD2 PHE 121 1HD PHE 121 -5.827 7.090 -29.067 921 HE1 PHE 121 2HE PHE 121 -6.455 7.245 -33.938 922 HE2 PHE 121 1HE PHE 121 -7.108 5.322 -30.191 923 HZ PHE 121 HZ PHE 121 -7.424 5.400 -32.631 924 H ALA 122 H ALA 122 -6.916 11.863 -28.368 925 HA ALA 122 HA ALA 122 -4.783 12.227 -26.366 926 1HB ALA 122 1HB ALA 122 -6.740 14.112 -27.522 927 2HB ALA 122 2HB ALA 122 -5.099 14.392 -26.939 928 3HB ALA 122 3HB ALA 122 -6.432 14.260 -25.791 929 HA PRO 123 HA PRO 123 -7.190 9.955 -23.431 930 1HB PRO 123 2HB PRO 123 -6.269 12.032 -21.504 931 2HB PRO 123 1HB PRO 123 -6.153 10.272 -21.402 932 1HG PRO 123 2HG PRO 123 -4.009 11.738 -21.981 933 2HG PRO 123 1HG PRO 123 -4.289 10.181 -22.781 934 1HD PRO 123 2HD PRO 123 -4.670 12.950 -23.832 935 2HD PRO 123 1HD PRO 123 -4.104 11.491 -24.669 936 H ALA 124 H ALA 124 -9.334 10.089 -23.309 937 HA ALA 124 HA ALA 124 -10.547 12.690 -22.632 938 1HB ALA 124 1HB ALA 124 -12.209 10.728 -24.073 939 2HB ALA 124 2HB ALA 124 -10.884 11.442 -24.992 940 3HB ALA 124 3HB ALA 124 -12.104 12.478 -24.252 941 H ASP 125 H ASP 125 -11.457 9.237 -22.699 942 HA ASP 125 HA ASP 125 -13.102 9.597 -20.343 943 1HB ASP 125 2HB ASP 125 -12.556 7.256 -22.164 944 2HB ASP 125 1HB ASP 125 -13.490 7.087 -20.679 945 H GLY 126 H GLY 126 -12.923 7.625 -18.722 946 1HA GLY 126 2HA GLY 126 -10.478 7.972 -17.339 947 2HA GLY 126 1HA GLY 126 -11.728 6.805 -16.939 948 H GLU 127 H GLU 127 -9.716 5.568 -16.369 949 HA GLU 127 HA GLU 127 -8.465 4.337 -18.722 950 1HB GLU 127 2HB GLU 127 -7.314 5.296 -16.438 951 2HB GLU 127 1HB GLU 127 -7.472 3.587 -16.052 952 1HG GLU 127 2HG GLU 127 -6.156 2.956 -17.921 953 2HG GLU 127 1HG GLU 127 -6.195 4.591 -18.579 954 H LYS 128 H LYS 128 -8.354 2.078 -18.941 955 HA LYS 128 HA LYS 128 -10.643 0.693 -17.819 956 1HB LYS 128 2HB LYS 128 -9.909 -1.150 -19.370 957 2HB LYS 128 1HB LYS 128 -10.317 0.370 -20.156 958 1HG LYS 128 2HG LYS 128 -7.509 0.252 -19.483 959 2HG LYS 128 1HG LYS 128 -7.997 -1.116 -20.485 960 1HD LYS 128 2HD LYS 128 -9.110 1.430 -21.384 961 2HD LYS 128 1HD LYS 128 -7.346 1.397 -21.396 962 1HE LYS 128 2HE LYS 128 -7.947 0.614 -23.513 963 2HE LYS 128 1HE LYS 128 -7.581 -0.850 -22.599 964 1HZ LYS 128 1HZ LYS 128 -9.840 -1.355 -22.382 965 2HZ LYS 128 2HZ LYS 128 -9.681 -0.852 -23.988 966 3HZ LYS 128 3HZ LYS 128 -10.338 0.196 -22.836 967 H SER 129 H SER 129 -10.592 -0.943 -16.368 968 HA SER 129 HA SER 129 -7.966 -1.921 -15.481 969 1HB SER 129 2HB SER 129 -8.884 -0.161 -13.926 970 2HB SER 129 1HB SER 129 -10.230 -1.251 -13.592 971 HG SER 129 HG SER 129 -7.530 -2.030 -13.267 972 H GLU 130 H GLU 130 -11.478 -2.431 -15.349 973 HA GLU 130 HA GLU 130 -10.966 -5.329 -15.447 974 1HB GLU 130 2HB GLU 130 -11.853 -4.356 -13.218 975 2HB GLU 130 1HB GLU 130 -13.376 -4.167 -14.077 976 1HG GLU 130 2HG GLU 130 -13.053 -6.673 -14.668 977 2HG GLU 130 1HG GLU 130 -11.941 -6.662 -13.300 978 H ALA 131 H ALA 131 -13.563 -2.924 -15.904 979 HA ALA 131 HA ALA 131 -14.962 -4.550 -17.789 980 1HB ALA 131 1HB ALA 131 -16.605 -3.005 -17.659 981 2HB ALA 131 2HB ALA 131 -15.485 -1.646 -17.771 982 3HB ALA 131 3HB ALA 131 -15.703 -2.485 -16.235 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 25.401 12.132 19.308 2 2H GLY 1 2HT GLY 1 26.563 11.127 20.015 3 3H GLY 1 3HT GLY 1 25.184 10.454 19.305 4 1HA GLY 1 1HA GLY 1 26.619 12.106 17.470 5 2HA GLY 1 2HA GLY 1 27.619 10.809 18.107 6 H SER 2 H SER 2 24.635 11.545 16.390 7 HA SER 2 HA SER 2 23.414 10.367 14.874 8 1HB SER 2 2HB SER 2 26.159 9.275 14.580 9 2HB SER 2 1HB SER 2 24.854 8.330 13.863 10 HG SER 2 HG SER 2 24.202 10.428 12.896 11 H HIS 3 H HIS 3 22.948 7.847 14.253 12 HA HIS 3 HA HIS 3 22.818 6.266 16.706 13 1HB HIS 3 2HB HIS 3 20.578 7.676 15.550 14 2HB HIS 3 1HB HIS 3 20.289 5.940 15.517 15 HD1 HIS 3 1HD HIS 3 19.530 8.650 17.553 16 HD2 HIS 3 2HD HIS 3 21.150 4.904 18.336 17 HE1 HIS 3 1HE HIS 3 19.117 8.237 19.999 18 HE2 HIS 3 2HE HIS 3 20.179 6.000 20.467 19 H MET 4 H MET 4 23.266 4.196 16.328 20 HA MET 4 HA MET 4 23.284 3.270 13.545 21 1HB MET 4 2HB MET 4 24.790 1.487 14.361 22 2HB MET 4 1HB MET 4 25.422 3.098 14.676 23 1HG MET 4 2HG MET 4 25.034 2.943 16.956 24 2HG MET 4 1HG MET 4 23.864 1.639 16.768 25 1HE MET 4 1HE MET 4 25.804 0.698 19.065 26 2HE MET 4 2HE MET 4 25.972 -0.899 18.335 27 3HE MET 4 3HE MET 4 24.449 -0.020 18.193 28 H ASP 5 H ASP 5 20.849 3.419 15.119 29 HA ASP 5 HA ASP 5 19.858 0.789 14.593 30 1HB ASP 5 2HB ASP 5 20.955 1.070 17.096 31 2HB ASP 5 1HB ASP 5 19.257 1.432 17.395 32 H LYS 6 H LYS 6 17.500 0.742 15.842 33 HA LYS 6 HA LYS 6 15.377 1.554 15.767 34 1HB LYS 6 2HB LYS 6 16.922 4.081 16.304 35 2HB LYS 6 1HB LYS 6 15.172 4.090 16.144 36 1HG LYS 6 2HG LYS 6 15.845 2.019 17.948 37 2HG LYS 6 1HG LYS 6 16.754 3.455 18.418 38 1HD LYS 6 2HD LYS 6 14.858 3.991 19.514 39 2HD LYS 6 1HD LYS 6 14.324 4.539 17.923 40 1HE LYS 6 2HE LYS 6 12.926 2.766 17.629 41 2HE LYS 6 1HE LYS 6 13.926 1.678 18.590 42 1HZ LYS 6 1HZ LYS 6 12.605 3.880 19.982 43 2HZ LYS 6 2HZ LYS 6 12.927 2.307 20.511 44 3HZ LYS 6 3HZ LYS 6 11.632 2.597 19.463 45 H THR 7 H THR 7 16.610 1.058 13.315 46 HA THR 7 HA THR 7 14.924 2.586 11.576 47 HB THR 7 HB THR 7 17.524 2.831 10.388 48 HG1 THR 7 1HG THR 7 18.559 4.077 11.845 49 1HG2 THR 7 1HG2 THR 7 16.709 4.774 9.696 50 2HG2 THR 7 2HG2 THR 7 16.265 5.277 11.328 51 3HG2 THR 7 3HG2 THR 7 15.188 4.227 10.403 52 H PHE 8 H PHE 8 14.327 1.359 9.888 53 HA PHE 8 HA PHE 8 16.085 -0.782 8.976 54 1HB PHE 8 2HB PHE 8 14.026 -2.337 9.011 55 2HB PHE 8 1HB PHE 8 14.902 -2.067 10.511 56 HD1 PHE 8 2HD PHE 8 12.749 0.617 9.283 57 HD2 PHE 8 1HD PHE 8 12.936 -2.873 11.720 58 HE1 PHE 8 2HE PHE 8 10.659 1.275 10.385 59 HE2 PHE 8 1HE PHE 8 10.841 -2.214 12.825 60 HZ PHE 8 HZ PHE 8 9.700 -0.137 12.160 61 H CYS 9 H CYS 9 15.774 -1.462 6.891 62 HA CYS 9 HA CYS 9 14.093 0.265 5.243 63 1HB CYS 9 2HB CYS 9 16.184 0.078 4.232 64 2HB CYS 9 1HB CYS 9 16.395 -1.594 4.732 65 HG CYS 9 HG CYS 9 15.952 -1.328 2.107 66 H VAL 10 H VAL 10 12.176 -0.442 4.390 67 HA VAL 10 HA VAL 10 11.502 -3.267 4.862 68 HB VAL 10 HB VAL 10 10.140 -1.000 5.670 69 1HG1 VAL 10 1HG1 VAL 10 8.327 -2.294 3.675 70 2HG1 VAL 10 2HG1 VAL 10 9.333 -0.926 3.207 71 3HG1 VAL 10 3HG1 VAL 10 8.152 -0.748 4.502 72 1HG2 VAL 10 1HG2 VAL 10 8.484 -3.386 5.501 73 2HG2 VAL 10 2HG2 VAL 10 9.057 -2.497 6.913 74 3HG2 VAL 10 3HG2 VAL 10 10.101 -3.681 6.132 75 H VAL 11 H VAL 11 10.262 -4.403 3.348 76 HA VAL 11 HA VAL 11 10.090 -3.235 0.682 77 HB VAL 11 HB VAL 11 12.118 -4.343 0.483 78 1HG1 VAL 11 1HG1 VAL 11 12.444 -6.713 1.226 79 2HG1 VAL 11 2HG1 VAL 11 10.903 -6.571 2.075 80 3HG1 VAL 11 3HG1 VAL 11 12.252 -5.519 2.509 81 1HG2 VAL 11 1HG2 VAL 11 10.599 -4.903 -1.343 82 2HG2 VAL 11 2HG2 VAL 11 10.035 -6.316 -0.451 83 3HG2 VAL 11 3HG2 VAL 11 11.704 -6.238 -1.017 84 H VAL 12 H VAL 12 7.954 -3.211 0.514 85 HA VAL 12 HA VAL 12 6.361 -5.484 1.391 86 HB VAL 12 HB VAL 12 5.459 -2.860 0.190 87 1HG1 VAL 12 1HG1 VAL 12 3.916 -4.875 0.114 88 2HG1 VAL 12 2HG1 VAL 12 3.287 -3.416 0.881 89 3HG1 VAL 12 3HG1 VAL 12 3.858 -4.759 1.873 90 1HG2 VAL 12 1HG2 VAL 12 6.208 -2.004 2.125 91 2HG2 VAL 12 2HG2 VAL 12 6.351 -3.589 2.885 92 3HG2 VAL 12 3HG2 VAL 12 4.787 -2.775 2.833 93 H GLN 13 H GLN 13 5.525 -6.965 0.067 94 HA GLN 13 HA GLN 13 5.570 -6.437 -2.828 95 1HB GLN 13 2HB GLN 13 7.360 -8.027 -2.053 96 2HB GLN 13 1HB GLN 13 6.082 -9.122 -1.545 97 1HG GLN 13 2HG GLN 13 5.266 -8.885 -4.000 98 2HG GLN 13 1HG GLN 13 6.914 -8.333 -4.299 99 1HE2 GLN 13 1HE2 GLN 13 6.071 -10.549 -5.560 100 2HE2 GLN 13 2HE2 GLN 13 6.820 -11.957 -4.896 101 H ASN 14 H ASN 14 3.497 -6.158 -3.369 102 HA ASN 14 HA ASN 14 1.447 -7.835 -2.127 103 1HB ASN 14 2HB ASN 14 0.727 -5.753 -4.130 104 2HB ASN 14 1HB ASN 14 -0.108 -6.227 -2.654 105 1HD2 ASN 14 1HD2 ASN 14 1.200 -3.703 -3.995 106 2HD2 ASN 14 2HD2 ASN 14 1.915 -2.908 -2.642 107 H ARG 15 H ARG 15 0.042 -9.115 -3.308 108 HA ARG 15 HA ARG 15 0.788 -9.571 -6.116 109 1HB ARG 15 2HB ARG 15 0.899 -11.416 -3.911 110 2HB ARG 15 1HB ARG 15 -0.284 -11.980 -5.082 111 1HG ARG 15 2HG ARG 15 1.282 -12.318 -6.713 112 2HG ARG 15 1HG ARG 15 2.378 -11.094 -6.066 113 1HD ARG 15 2HD ARG 15 3.524 -12.932 -5.399 114 2HD ARG 15 1HD ARG 15 2.425 -12.816 -4.027 115 HE ARG 15 HE ARG 15 1.393 -14.742 -4.725 116 1HH1 ARG 15 1HH1 ARG 15 3.433 -13.543 -7.292 117 2HH1 ARG 15 2HH1 ARG 15 3.251 -14.962 -8.267 118 1HH2 ARG 15 1HH2 ARG 15 1.154 -16.608 -6.008 119 2HH2 ARG 15 2HH2 ARG 15 1.957 -16.702 -7.540 120 H ILE 16 H ILE 16 -1.196 -7.828 -5.237 121 HA ILE 16 HA ILE 16 -3.526 -9.027 -6.489 122 HB ILE 16 HB ILE 16 -3.984 -7.396 -4.041 123 1HG1 ILE 16 2HG1 ILE 16 -4.349 -9.770 -2.939 124 2HG1 ILE 16 1HG1 ILE 16 -3.137 -10.261 -4.116 125 1HG2 ILE 16 1HG2 ILE 16 -5.919 -9.317 -4.187 126 2HG2 ILE 16 2HG2 ILE 16 -5.544 -9.022 -5.884 127 3HG2 ILE 16 3HG2 ILE 16 -6.040 -7.686 -4.845 128 1HD1 ILE 16 1HD1 ILE 16 -1.770 -8.284 -3.173 129 2HD1 ILE 16 2HD1 ILE 16 -1.882 -9.778 -2.242 130 3HD1 ILE 16 3HD1 ILE 16 -2.879 -8.390 -1.807 131 H LYS 17 H LYS 17 -4.664 -7.599 -7.659 132 HA LYS 17 HA LYS 17 -5.030 -5.739 -8.937 133 1HB LYS 17 2HB LYS 17 -4.558 -3.824 -6.767 134 2HB LYS 17 1HB LYS 17 -6.005 -4.109 -7.720 135 1HG LYS 17 2HG LYS 17 -6.163 -6.274 -6.240 136 2HG LYS 17 1HG LYS 17 -5.156 -5.326 -5.144 137 1HD LYS 17 2HD LYS 17 -7.080 -4.462 -4.391 138 2HD LYS 17 1HD LYS 17 -7.095 -3.528 -5.889 139 1HE LYS 17 2HE LYS 17 -8.402 -6.213 -5.457 140 2HE LYS 17 1HE LYS 17 -9.230 -4.658 -5.522 141 1HZ LYS 17 1HZ LYS 17 -9.010 -6.211 -7.624 142 2HZ LYS 17 2HZ LYS 17 -7.547 -5.380 -7.797 143 3HZ LYS 17 3HZ LYS 17 -9.005 -4.524 -7.760 144 H GLU 18 H GLU 18 -4.073 -3.118 -8.760 145 HA GLU 18 HA GLU 18 -1.300 -3.519 -9.611 146 1HB GLU 18 2HB GLU 18 -3.453 -1.592 -10.267 147 2HB GLU 18 1HB GLU 18 -1.817 -0.946 -10.249 148 1HG GLU 18 2HG GLU 18 -1.837 -1.602 -12.395 149 2HG GLU 18 1HG GLU 18 -1.403 -3.162 -11.696 150 H GLY 19 H GLY 19 -1.009 -3.782 -7.129 151 1HA GLY 19 2HA GLY 19 0.456 -2.814 -5.555 152 2HA GLY 19 1HA GLY 19 0.051 -1.230 -6.187 153 H TYR 20 H TYR 20 -2.814 -1.610 -6.055 154 HA TYR 20 HA TYR 20 -4.581 -1.519 -4.604 155 1HB TYR 20 2HB TYR 20 -3.141 -3.437 -3.430 156 2HB TYR 20 1HB TYR 20 -2.948 -2.188 -2.204 157 HD1 TYR 20 2HD TYR 20 -5.682 -0.902 -2.514 158 HD2 TYR 20 1HD TYR 20 -4.476 -4.975 -2.238 159 HE1 TYR 20 2HE TYR 20 -7.882 -1.484 -1.580 160 HE2 TYR 20 1HE TYR 20 -6.672 -5.566 -1.304 161 HH TYR 20 HH TYR 20 -9.323 -3.386 -1.312 162 H ARG 21 H ARG 21 -3.040 0.712 -5.259 163 HA ARG 21 HA ARG 21 -2.768 2.900 -4.692 164 1HB ARG 21 2HB ARG 21 -4.662 2.097 -2.482 165 2HB ARG 21 1HB ARG 21 -4.197 3.758 -2.822 166 1HG ARG 21 2HG ARG 21 -5.869 1.898 -4.453 167 2HG ARG 21 1HG ARG 21 -6.253 3.511 -3.857 168 1HD ARG 21 2HD ARG 21 -4.244 4.214 -5.391 169 2HD ARG 21 1HD ARG 21 -4.604 2.690 -6.201 170 HE ARG 21 HE ARG 21 -6.818 4.538 -5.778 171 1HH1 ARG 21 1HH1 ARG 21 -4.467 3.191 -7.987 172 2HH1 ARG 21 2HH1 ARG 21 -5.335 3.683 -9.400 173 1HH2 ARG 21 1HH2 ARG 21 -7.951 5.185 -7.639 174 2HH2 ARG 21 2HH2 ARG 21 -7.309 4.815 -9.205 175 H ARG 22 H ARG 22 -2.373 4.339 -2.536 176 HA ARG 22 HA ARG 22 -0.944 3.148 -0.432 177 1HB ARG 22 2HB ARG 22 0.540 3.219 -2.760 178 2HB ARG 22 1HB ARG 22 1.077 4.655 -1.903 179 1HG ARG 22 2HG ARG 22 0.984 2.553 -0.021 180 2HG ARG 22 1HG ARG 22 1.785 1.931 -1.463 181 1HD ARG 22 2HD ARG 22 3.595 3.229 -1.168 182 2HD ARG 22 1HD ARG 22 2.635 4.620 -0.666 183 HE ARG 22 HE ARG 22 2.515 2.835 1.426 184 1HH1 ARG 22 1HH1 ARG 22 5.026 4.551 -0.286 185 2HH1 ARG 22 2HH1 ARG 22 6.080 4.632 1.085 186 1HH2 ARG 22 1HH2 ARG 22 3.899 2.943 3.232 187 2HH2 ARG 22 2HH2 ARG 22 5.440 3.719 3.082 188 H ALA 23 H ALA 23 0.896 5.205 0.120 189 HA ALA 23 HA ALA 23 -0.702 7.099 1.378 190 1HB ALA 23 1HB ALA 23 2.205 7.194 0.599 191 2HB ALA 23 2HB ALA 23 1.515 6.740 2.159 192 3HB ALA 23 3HB ALA 23 1.425 8.413 1.607 193 H GLY 24 H GLY 24 0.276 6.923 -1.909 194 1HA GLY 24 2HA GLY 24 -1.344 8.672 -3.064 195 2HA GLY 24 1HA GLY 24 -0.150 9.768 -2.387 196 H PHE 25 H PHE 25 1.757 7.311 -2.925 197 HA PHE 25 HA PHE 25 2.747 8.353 -5.405 198 1HB PHE 25 2HB PHE 25 3.691 5.860 -3.991 199 2HB PHE 25 1HB PHE 25 4.602 6.887 -5.093 200 HD1 PHE 25 1HD PHE 25 3.267 6.557 -1.694 201 HD2 PHE 25 2HD PHE 25 5.607 8.931 -4.343 202 HE1 PHE 25 1HE PHE 25 4.135 7.835 0.222 203 HE2 PHE 25 2HE PHE 25 6.477 10.213 -2.431 204 HZ PHE 25 HZ PHE 25 5.742 9.665 -0.146 205 H SER 26 H SER 26 0.337 6.171 -4.696 206 HA SER 26 HA SER 26 -0.850 4.678 -5.921 207 1HB SER 26 2HB SER 26 0.503 5.174 -8.485 208 2HB SER 26 1HB SER 26 -1.209 5.272 -8.070 209 HG SER 26 HG SER 26 -0.872 7.319 -7.252 210 H PHE 27 H PHE 27 0.454 3.121 -4.683 211 HA PHE 27 HA PHE 27 2.753 1.861 -5.603 212 1HB PHE 27 2HB PHE 27 1.381 1.614 -3.371 213 2HB PHE 27 1HB PHE 27 0.611 0.283 -4.223 214 HD1 PHE 27 2HD PHE 27 2.070 -1.576 -5.103 215 HD2 PHE 27 1HD PHE 27 3.466 1.350 -2.351 216 HE1 PHE 27 2HE PHE 27 3.932 -3.060 -4.480 217 HE2 PHE 27 1HE PHE 27 5.330 -0.126 -1.721 218 HZ PHE 27 HZ PHE 27 5.565 -2.334 -2.784 219 H HIS 28 H HIS 28 3.008 -0.260 -6.605 220 HA HIS 28 HA HIS 28 0.776 -1.012 -8.373 221 1HB HIS 28 2HB HIS 28 3.690 -0.879 -9.158 222 2HB HIS 28 1HB HIS 28 2.381 -1.484 -10.168 223 HD1 HIS 28 1HD HIS 28 3.531 1.748 -8.553 224 HD2 HIS 28 2HD HIS 28 1.117 0.418 -11.663 225 HE1 HIS 28 1HE HIS 28 2.854 3.818 -9.811 226 HE2 HIS 28 2HE HIS 28 1.480 2.977 -11.748 227 H LEU 29 H LEU 29 1.125 -3.232 -9.346 228 HA LEU 29 HA LEU 29 1.563 -5.080 -7.244 229 1HB LEU 29 2HB LEU 29 0.114 -5.239 -9.449 230 2HB LEU 29 1HB LEU 29 1.576 -5.974 -10.084 231 HG LEU 29 HG LEU 29 -0.041 -7.638 -9.253 232 1HD1 LEU 29 1HD1 LEU 29 2.394 -7.611 -7.494 233 2HD1 LEU 29 2HD1 LEU 29 2.466 -7.965 -9.221 234 3HD1 LEU 29 3HD1 LEU 29 1.529 -9.004 -8.147 235 1HD2 LEU 29 1HD2 LEU 29 -0.247 -5.840 -7.079 236 2HD2 LEU 29 2HD2 LEU 29 0.400 -7.355 -6.451 237 3HD2 LEU 29 3HD2 LEU 29 -1.122 -7.347 -7.340 238 H GLY 30 H GLY 30 3.519 -5.269 -6.446 239 1HA GLY 30 2HA GLY 30 5.539 -6.716 -7.656 240 2HA GLY 30 1HA GLY 30 5.923 -5.027 -7.949 241 H ASP 31 H ASP 31 7.680 -4.794 -6.654 242 HA ASP 31 HA ASP 31 7.175 -4.959 -3.773 243 1HB ASP 31 2HB ASP 31 9.587 -5.814 -3.539 244 2HB ASP 31 1HB ASP 31 8.363 -6.967 -4.062 245 H ASN 32 H ASN 32 7.871 -3.222 -2.675 246 HA ASN 32 HA ASN 32 9.803 -1.434 -4.009 247 1HB ASN 32 2HB ASN 32 7.102 -0.858 -2.963 248 2HB ASN 32 1HB ASN 32 8.345 0.311 -2.523 249 1HD2 ASN 32 1HD2 ASN 32 5.970 0.175 -4.469 250 2HD2 ASN 32 2HD2 ASN 32 6.620 0.829 -5.929 251 H SER 33 H SER 33 11.487 -0.780 -2.805 252 HA SER 33 HA SER 33 11.686 -1.764 -0.082 253 1HB SER 33 2HB SER 33 13.731 -0.314 -1.777 254 2HB SER 33 1HB SER 33 14.030 -1.051 -0.201 255 HG SER 33 HG SER 33 14.570 -2.664 -1.495 256 H LEU 34 H LEU 34 12.042 -0.532 1.710 257 HA LEU 34 HA LEU 34 11.399 2.333 1.461 258 1HB LEU 34 2HB LEU 34 9.590 1.323 2.577 259 2HB LEU 34 1HB LEU 34 10.624 0.253 3.486 260 HG LEU 34 HG LEU 34 9.436 2.131 4.711 261 1HD1 LEU 34 1HD1 LEU 34 11.059 0.714 5.737 262 2HD1 LEU 34 2HD1 LEU 34 11.390 2.374 6.223 263 3HD1 LEU 34 3HD1 LEU 34 12.379 1.594 4.989 264 1HD2 LEU 34 1HD2 LEU 34 11.666 3.934 4.366 265 2HD2 LEU 34 2HD2 LEU 34 9.936 4.258 4.318 266 3HD2 LEU 34 3HD2 LEU 34 10.770 3.716 2.864 267 H ALA 35 H ALA 35 12.667 3.803 2.558 268 HA ALA 35 HA ALA 35 15.314 3.041 3.222 269 1HB ALA 35 1HB ALA 35 15.221 5.533 4.138 270 2HB ALA 35 2HB ALA 35 13.777 5.568 3.127 271 3HB ALA 35 3HB ALA 35 15.340 5.161 2.420 272 H ALA 36 H ALA 36 16.340 3.418 5.293 273 HA ALA 36 HA ALA 36 14.863 2.205 7.380 274 1HB ALA 36 1HB ALA 36 16.830 2.180 8.608 275 2HB ALA 36 2HB ALA 36 17.429 3.662 7.863 276 3HB ALA 36 3HB ALA 36 17.404 2.159 6.941 277 H VAL 37 H VAL 37 13.382 3.096 8.528 278 HA VAL 37 HA VAL 37 13.675 5.871 9.463 279 HB VAL 37 HB VAL 37 11.031 4.570 8.825 280 1HG1 VAL 37 1HG1 VAL 37 10.495 6.332 10.158 281 2HG1 VAL 37 2HG1 VAL 37 10.532 7.152 8.597 282 3HG1 VAL 37 3HG1 VAL 37 11.914 7.269 9.687 283 1HG2 VAL 37 1HG2 VAL 37 11.387 6.459 6.874 284 2HG2 VAL 37 2HG2 VAL 37 11.589 4.719 6.665 285 3HG2 VAL 37 3HG2 VAL 37 12.990 5.736 7.001 286 H SER 38 H SER 38 12.227 6.299 11.398 287 HA SER 38 HA SER 38 12.898 4.667 13.518 288 1HB SER 38 2HB SER 38 11.735 7.103 13.297 289 2HB SER 38 1HB SER 38 10.354 6.139 13.819 290 HG SER 38 HG SER 38 11.838 5.352 15.519 291 H GLU 39 H GLU 39 9.715 4.837 11.897 292 HA GLU 39 HA GLU 39 9.271 2.064 12.001 293 1HB GLU 39 2HB GLU 39 9.005 3.134 14.498 294 2HB GLU 39 1HB GLU 39 7.349 3.200 13.911 295 1HG GLU 39 2HG GLU 39 7.805 0.722 13.225 296 2HG GLU 39 1HG GLU 39 9.084 0.838 14.433 297 H SER 40 H SER 40 8.116 5.286 11.531 298 HA SER 40 HA SER 40 5.495 5.096 10.887 299 1HB SER 40 2HB SER 40 6.258 6.665 8.841 300 2HB SER 40 1HB SER 40 6.225 7.226 10.513 301 HG SER 40 HG SER 40 8.402 6.553 8.895 302 H GLN 41 H GLN 41 8.168 3.797 9.042 303 HA GLN 41 HA GLN 41 6.872 3.240 6.625 304 1HB GLN 41 2HB GLN 41 9.026 2.779 6.259 305 2HB GLN 41 1HB GLN 41 9.343 2.497 7.959 306 1HG GLN 41 2HG GLN 41 7.884 0.272 6.924 307 2HG GLN 41 1HG GLN 41 9.228 0.621 5.852 308 1HE2 GLN 41 1HE2 GLN 41 8.290 -0.960 8.608 309 2HE2 GLN 41 2HE2 GLN 41 9.844 -1.251 9.302 310 H LEU 42 H LEU 42 7.471 1.036 9.358 311 HA LEU 42 HA LEU 42 6.070 -1.152 8.430 312 1HB LEU 42 2HB LEU 42 7.515 -1.188 10.405 313 2HB LEU 42 1HB LEU 42 6.352 -0.218 11.285 314 HG LEU 42 HG LEU 42 4.729 -2.220 10.713 315 1HD1 LEU 42 1HD1 LEU 42 5.663 -4.258 10.297 316 2HD1 LEU 42 2HD1 LEU 42 7.212 -3.822 11.018 317 3HD1 LEU 42 3HD1 LEU 42 6.789 -3.228 9.413 318 1HD2 LEU 42 1HD2 LEU 42 6.665 -2.925 12.833 319 2HD2 LEU 42 2HD2 LEU 42 4.909 -2.786 12.897 320 3HD2 LEU 42 3HD2 LEU 42 5.909 -1.335 12.943 321 H ALA 43 H ALA 43 4.802 1.342 10.643 322 HA ALA 43 HA ALA 43 2.166 0.323 10.621 323 1HB ALA 43 1HB ALA 43 3.041 3.128 11.268 324 2HB ALA 43 2HB ALA 43 3.105 1.769 12.391 325 3HB ALA 43 3HB ALA 43 1.551 2.332 11.776 326 H GLN 44 H GLN 44 3.863 2.591 8.569 327 HA GLN 44 HA GLN 44 1.756 3.923 7.366 328 1HB GLN 44 2HB GLN 44 4.525 3.241 6.610 329 2HB GLN 44 1HB GLN 44 3.452 3.587 5.261 330 1HG GLN 44 2HG GLN 44 3.578 5.448 7.592 331 2HG GLN 44 1HG GLN 44 4.818 5.499 6.339 332 1HE2 GLN 44 1HE2 GLN 44 1.420 5.918 7.029 333 2HE2 GLN 44 2HE2 GLN 44 1.047 6.844 5.619 334 H LEU 45 H LEU 45 3.295 0.900 6.263 335 HA LEU 45 HA LEU 45 1.235 0.438 4.311 336 1HB LEU 45 2HB LEU 45 3.683 -1.010 5.208 337 2HB LEU 45 1HB LEU 45 2.477 -1.869 4.268 338 1HD1 LEU 45 1HD1 LEU 45 5.396 -1.039 3.864 339 2HD1 LEU 45 2HD1 LEU 45 5.245 0.717 3.819 340 3HD1 LEU 45 3HD1 LEU 45 5.440 -0.190 2.319 341 1HD2 LEU 45 1HD2 LEU 45 2.299 -0.726 1.460 342 2HD2 LEU 45 2HD2 LEU 45 2.791 -2.168 2.346 343 3HD2 LEU 45 3HD2 LEU 45 3.960 -1.307 1.344 344 H LYS 46 H LYS 46 2.285 -1.256 7.247 345 HA LYS 46 HA LYS 46 0.378 -3.225 7.384 346 1HB LYS 46 2HB LYS 46 2.386 -2.593 8.972 347 2HB LYS 46 1HB LYS 46 1.122 -1.808 9.906 348 1HG LYS 46 2HG LYS 46 -0.020 -3.852 10.249 349 2HG LYS 46 1HG LYS 46 0.981 -4.687 9.060 350 1HD LYS 46 2HD LYS 46 2.790 -4.816 10.476 351 2HD LYS 46 1HD LYS 46 2.296 -3.402 11.409 352 1HE LYS 46 2HE LYS 46 0.237 -5.084 11.909 353 2HE LYS 46 1HE LYS 46 1.558 -6.235 11.719 354 1HZ LYS 46 1HZ LYS 46 2.559 -5.532 13.595 355 2HZ LYS 46 2HZ LYS 46 0.998 -5.035 14.012 356 3HZ LYS 46 3HZ LYS 46 2.102 -3.916 13.388 357 H ALA 47 H ALA 47 -0.038 0.176 7.942 358 HA ALA 47 HA ALA 47 -2.211 0.380 9.569 359 1HB ALA 47 1HB ALA 47 -2.900 2.254 7.811 360 2HB ALA 47 2HB ALA 47 -1.268 1.930 7.225 361 3HB ALA 47 3HB ALA 47 -1.522 2.437 8.896 362 H ASP 48 H ASP 48 -2.145 -0.872 6.310 363 HA ASP 48 HA ASP 48 -5.062 -1.259 6.421 364 1HB ASP 48 2HB ASP 48 -3.998 0.101 4.503 365 2HB ASP 48 1HB ASP 48 -3.415 -1.451 3.910 366 HA PRO 49 HA PRO 49 -3.913 -5.571 6.830 367 1HB PRO 49 2HB PRO 49 -6.380 -6.559 7.208 368 2HB PRO 49 1HB PRO 49 -5.555 -5.620 8.459 369 1HG PRO 49 2HG PRO 49 -7.656 -4.744 6.512 370 2HG PRO 49 1HG PRO 49 -7.517 -4.385 8.244 371 1HD PRO 49 2HD PRO 49 -6.735 -2.658 6.275 372 2HD PRO 49 1HD PRO 49 -6.013 -2.690 7.896 373 H ARG 50 H ARG 50 -3.414 -5.162 4.395 374 HA ARG 50 HA ARG 50 -4.868 -7.175 2.913 375 1HB ARG 50 2HB ARG 50 -5.147 -4.288 2.367 376 2HB ARG 50 1HB ARG 50 -4.816 -5.288 0.959 377 1HG ARG 50 2HG ARG 50 -6.986 -6.051 2.865 378 2HG ARG 50 1HG ARG 50 -7.262 -4.812 1.639 379 1HD ARG 50 2HD ARG 50 -7.738 -6.464 0.226 380 2HD ARG 50 1HD ARG 50 -6.027 -6.881 0.261 381 HE ARG 50 HE ARG 50 -7.432 -8.059 2.436 382 1HH1 ARG 50 1HH1 ARG 50 -6.826 -8.386 -0.985 383 2HH1 ARG 50 2HH1 ARG 50 -7.103 -10.096 -0.998 384 1HH2 ARG 50 1HH2 ARG 50 -7.796 -10.307 2.422 385 2HH2 ARG 50 2HH2 ARG 50 -7.655 -11.186 0.936 386 H LEU 51 H LEU 51 -2.317 -4.721 2.913 387 HA LEU 51 HA LEU 51 -0.795 -6.328 0.993 388 1HB LEU 51 2HB LEU 51 0.133 -3.678 2.019 389 2HB LEU 51 1HB LEU 51 0.458 -4.444 0.477 390 HG LEU 51 HG LEU 51 -0.941 -2.650 -0.050 391 1HD1 LEU 51 1HD1 LEU 51 -2.394 -5.246 0.075 392 2HD1 LEU 51 2HD1 LEU 51 -1.846 -4.321 -1.320 393 3HD1 LEU 51 3HD1 LEU 51 -3.267 -3.796 -0.419 394 1HD2 LEU 51 1HD2 LEU 51 -2.490 -1.709 1.281 395 2HD2 LEU 51 2HD2 LEU 51 -1.673 -2.634 2.541 396 3HD2 LEU 51 3HD2 LEU 51 -3.146 -3.262 1.800 397 H VAL 52 H VAL 52 0.785 -7.607 1.650 398 HA VAL 52 HA VAL 52 1.463 -7.873 4.393 399 HB VAL 52 HB VAL 52 3.106 -8.994 2.155 400 1HG1 VAL 52 1HG1 VAL 52 4.032 -9.450 4.280 401 2HG1 VAL 52 2HG1 VAL 52 3.233 -10.933 3.755 402 3HG1 VAL 52 3HG1 VAL 52 2.458 -9.891 4.948 403 1HG2 VAL 52 1HG2 VAL 52 1.011 -9.613 1.374 404 2HG2 VAL 52 2HG2 VAL 52 0.347 -9.783 3.000 405 3HG2 VAL 52 3HG2 VAL 52 1.470 -10.991 2.375 406 H VAL 53 H VAL 53 2.571 -6.323 5.391 407 HA VAL 53 HA VAL 53 4.968 -5.210 4.094 408 HB VAL 53 HB VAL 53 3.555 -3.420 4.684 409 1HG1 VAL 53 1HG1 VAL 53 3.052 -4.974 7.174 410 2HG1 VAL 53 2HG1 VAL 53 1.905 -4.206 6.075 411 3HG1 VAL 53 3HG1 VAL 53 2.849 -3.222 7.195 412 1HG2 VAL 53 1HG2 VAL 53 5.874 -3.029 5.313 413 2HG2 VAL 53 2HG2 VAL 53 5.559 -3.687 6.919 414 3HG2 VAL 53 3HG2 VAL 53 4.774 -2.191 6.410 415 H GLN 54 H GLN 54 6.816 -6.062 4.733 416 HA GLN 54 HA GLN 54 7.040 -7.024 7.515 417 1HB GLN 54 2HB GLN 54 7.504 -8.446 4.993 418 2HB GLN 54 1HB GLN 54 8.819 -8.602 6.150 419 1HG GLN 54 2HG GLN 54 6.628 -9.038 7.717 420 2HG GLN 54 1HG GLN 54 6.137 -9.752 6.182 421 1HE2 GLN 54 1HE2 GLN 54 8.384 -10.800 5.191 422 2HE2 GLN 54 2HE2 GLN 54 9.020 -12.016 6.241 423 H ILE 55 H ILE 55 8.934 -6.690 8.590 424 HA ILE 55 HA ILE 55 10.748 -4.721 7.421 425 HB ILE 55 HB ILE 55 11.671 -4.606 9.763 426 1HG1 ILE 55 2HG1 ILE 55 9.240 -5.740 10.926 427 2HG1 ILE 55 1HG1 ILE 55 10.231 -6.946 10.111 428 1HG2 ILE 55 1HG2 ILE 55 10.054 -3.083 10.451 429 2HG2 ILE 55 2HG2 ILE 55 8.735 -4.021 9.749 430 3HG2 ILE 55 3HG2 ILE 55 9.844 -3.138 8.701 431 1HD1 ILE 55 1HD1 ILE 55 11.070 -7.013 12.240 432 2HD1 ILE 55 2HD1 ILE 55 10.851 -5.283 12.499 433 3HD1 ILE 55 3HD1 ILE 55 12.166 -5.862 11.475 434 H THR 56 H THR 56 12.713 -5.213 6.711 435 HA THR 56 HA THR 56 13.919 -7.759 7.569 436 HB THR 56 HB THR 56 13.329 -8.116 5.315 437 HG1 THR 56 1HG THR 56 15.251 -8.716 4.776 438 1HG2 THR 56 1HG2 THR 56 14.130 -5.283 4.886 439 2HG2 THR 56 2HG2 THR 56 12.685 -6.143 4.352 440 3HG2 THR 56 3HG2 THR 56 14.230 -6.430 3.550 441 H GLU 57 H GLU 57 15.441 -7.156 8.987 442 HA GLU 57 HA GLU 57 16.973 -4.731 8.595 443 1HB GLU 57 2HB GLU 57 18.181 -5.699 10.724 444 2HB GLU 57 1HB GLU 57 16.596 -4.953 10.844 445 1HG GLU 57 2HG GLU 57 16.494 -7.825 10.333 446 2HG GLU 57 1HG GLU 57 17.296 -7.397 11.841 447 H THR 58 H THR 58 17.880 -8.156 9.089 448 HA THR 58 HA THR 58 19.774 -9.298 8.533 449 HB THR 58 HB THR 58 18.549 -9.122 6.361 450 HG1 THR 58 1HG THR 58 20.365 -9.738 5.125 451 1HG2 THR 58 1HG2 THR 58 20.378 -6.783 5.954 452 2HG2 THR 58 2HG2 THR 58 18.631 -6.871 5.729 453 3HG2 THR 58 3HG2 THR 58 19.707 -7.706 4.609 454 H GLY 59 H GLY 59 22.012 -8.818 7.089 455 1HA GLY 59 2HA GLY 59 23.214 -6.535 8.529 456 2HA GLY 59 1HA GLY 59 24.067 -8.026 8.162 457 H SER 60 H SER 60 24.505 -5.103 7.475 458 HA SER 60 HA SER 60 24.188 -4.872 4.653 459 1HB SER 60 2HB SER 60 25.863 -3.337 6.648 460 2HB SER 60 1HB SER 60 25.790 -2.930 4.933 461 HG SER 60 HG SER 60 24.106 -1.813 5.506 462 H GLN 61 H GLN 61 25.120 -6.574 3.584 463 HA GLN 61 HA GLN 61 28.033 -6.892 3.898 464 1HB GLN 61 2HB GLN 61 27.675 -9.160 2.876 465 2HB GLN 61 1HB GLN 61 26.958 -8.946 4.467 466 1HG GLN 61 2HG GLN 61 24.777 -8.526 3.385 467 2HG GLN 61 1HG GLN 61 25.523 -8.865 1.824 468 1HE2 GLN 61 1HE2 GLN 61 23.378 -10.314 2.602 469 2HE2 GLN 61 2HE2 GLN 61 23.851 -11.930 2.992 470 H GLU 62 H GLU 62 25.379 -6.595 1.605 471 HA GLU 62 HA GLU 62 27.239 -6.489 -0.639 472 1HB GLU 62 2HB GLU 62 25.121 -7.774 -0.834 473 2HB GLU 62 1HB GLU 62 24.223 -6.276 -0.630 474 1HG GLU 62 2HG GLU 62 25.900 -5.655 -2.690 475 2HG GLU 62 1HG GLU 62 25.567 -7.361 -2.982 476 H GLY 63 H GLY 63 27.662 -4.680 -1.839 477 1HA GLY 63 2HA GLY 63 26.854 -2.142 -0.610 478 2HA GLY 63 1HA GLY 63 28.207 -2.371 -1.707 479 H GLY 64 H GLY 64 25.928 -0.456 -1.745 480 1HA GLY 64 2HA GLY 64 25.011 -1.084 -4.479 481 2HA GLY 64 1HA GLY 64 23.892 -0.468 -3.272 482 H GLU 65 H GLU 65 24.537 0.709 -5.820 483 HA GLU 65 HA GLU 65 25.528 3.301 -4.854 484 1HB GLU 65 2HB GLU 65 26.521 1.685 -7.139 485 2HB GLU 65 1HB GLU 65 26.375 3.418 -7.397 486 1HG GLU 65 2HG GLU 65 27.678 3.579 -5.148 487 2HG GLU 65 1HG GLU 65 28.152 1.925 -5.532 488 H GLY 66 H GLY 66 22.828 2.269 -5.249 489 1HA GLY 66 2HA GLY 66 21.582 4.468 -6.362 490 2HA GLY 66 1HA GLY 66 21.752 3.311 -7.673 491 H LEU 67 H LEU 67 19.260 4.031 -7.037 492 HA LEU 67 HA LEU 67 18.187 1.986 -5.233 493 1HB LEU 67 2HB LEU 67 17.333 4.640 -6.119 494 2HB LEU 67 1HB LEU 67 16.040 3.457 -6.143 495 HG LEU 67 HG LEU 67 17.649 3.490 -3.674 496 1HD1 LEU 67 1HD1 LEU 67 15.640 5.664 -3.896 497 2HD1 LEU 67 2HD1 LEU 67 17.250 5.946 -4.556 498 3HD1 LEU 67 3HD1 LEU 67 17.055 5.530 -2.854 499 1HD2 LEU 67 1HD2 LEU 67 14.851 3.056 -4.541 500 2HD2 LEU 67 2HD2 LEU 67 15.106 3.657 -2.903 501 3HD2 LEU 67 3HD2 LEU 67 15.846 2.139 -3.409 502 H SER 68 H SER 68 17.318 3.346 -8.419 503 HA SER 68 HA SER 68 17.286 0.874 -9.755 504 1HB SER 68 2HB SER 68 14.789 1.651 -8.366 505 2HB SER 68 1HB SER 68 14.606 1.108 -10.033 506 HG SER 68 HG SER 68 16.091 -0.342 -8.110 507 H LYS 69 H LYS 69 15.366 3.878 -9.638 508 HA LYS 69 HA LYS 69 16.458 4.690 -12.197 509 1HB LYS 69 2HB LYS 69 13.748 3.605 -11.889 510 2HB LYS 69 1HB LYS 69 13.797 5.176 -12.679 511 1HG LYS 69 2HG LYS 69 15.784 3.292 -13.691 512 2HG LYS 69 1HG LYS 69 14.115 2.765 -13.915 513 1HD LYS 69 2HD LYS 69 14.664 5.585 -14.573 514 2HD LYS 69 1HD LYS 69 15.430 4.393 -15.625 515 1HE LYS 69 2HE LYS 69 13.450 4.546 -16.715 516 2HE LYS 69 1HE LYS 69 12.977 3.343 -15.516 517 1HZ LYS 69 1HZ LYS 69 12.340 5.417 -14.134 518 2HZ LYS 69 2HZ LYS 69 11.298 4.886 -15.356 519 3HZ LYS 69 3HZ LYS 69 12.317 6.208 -15.629 520 H GLU 70 H GLU 70 16.377 6.892 -12.533 521 HA GLU 70 HA GLU 70 16.246 8.561 -10.305 522 1HB GLU 70 2HB GLU 70 16.188 9.118 -13.260 523 2HB GLU 70 1HB GLU 70 16.123 10.418 -12.080 524 1HG GLU 70 2HG GLU 70 18.298 10.256 -11.595 525 2HG GLU 70 1HG GLU 70 18.275 8.493 -11.622 526 HA PRO 71 HA PRO 71 11.731 8.795 -10.152 527 1HB PRO 71 2HB PRO 71 11.579 9.969 -7.723 528 2HB PRO 71 1HB PRO 71 11.902 8.243 -7.921 529 1HG PRO 71 2HG PRO 71 13.822 10.480 -7.394 530 2HG PRO 71 1HG PRO 71 13.757 8.866 -6.662 531 1HD PRO 71 2HD PRO 71 15.481 9.513 -8.660 532 2HD PRO 71 1HD PRO 71 14.825 7.878 -8.444 533 H ALA 72 H ALA 72 10.427 10.365 -10.886 534 HA ALA 72 HA ALA 72 11.434 13.135 -10.826 535 1HB ALA 72 1HB ALA 72 11.111 11.811 -13.065 536 2HB ALA 72 2HB ALA 72 10.651 13.509 -12.950 537 3HB ALA 72 3HB ALA 72 9.419 12.253 -12.837 538 H GLY 73 H GLY 73 8.308 11.458 -11.259 539 1HA GLY 73 2HA GLY 73 7.185 12.922 -9.016 540 2HA GLY 73 1HA GLY 73 6.524 13.341 -10.590 541 H SER 74 H SER 74 4.496 12.594 -9.614 542 HA SER 74 HA SER 74 4.201 9.776 -9.084 543 1HB SER 74 2HB SER 74 2.867 11.861 -8.117 544 2HB SER 74 1HB SER 74 1.834 11.544 -9.512 545 HG SER 74 HG SER 74 2.564 9.627 -7.548 546 H ASP 75 H ASP 75 3.554 11.985 -11.728 547 HA ASP 75 HA ASP 75 3.539 9.947 -13.667 548 1HB ASP 75 2HB ASP 75 0.932 10.660 -12.482 549 2HB ASP 75 1HB ASP 75 0.973 10.654 -14.242 550 H GLU 76 H GLU 76 2.366 13.170 -12.813 551 HA GLU 76 HA GLU 76 3.745 14.295 -15.087 552 1HB GLU 76 2HB GLU 76 0.740 14.325 -14.882 553 2HB GLU 76 1HB GLU 76 1.622 15.532 -15.805 554 1HG GLU 76 2HG GLU 76 2.711 13.413 -16.911 555 2HG GLU 76 1HG GLU 76 1.232 12.638 -16.345 556 H GLN 77 H GLN 77 4.933 15.594 -13.775 557 HA GLN 77 HA GLN 77 3.483 17.755 -12.434 558 1HB GLN 77 2HB GLN 77 5.376 15.828 -11.162 559 2HB GLN 77 1HB GLN 77 5.396 17.502 -10.622 560 1HG GLN 77 2HG GLN 77 2.711 16.400 -10.792 561 2HG GLN 77 1HG GLN 77 3.756 15.511 -9.683 562 1HE2 GLN 77 1HE2 GLN 77 1.431 17.270 -9.205 563 2HE2 GLN 77 2HE2 GLN 77 1.987 18.476 -8.100 564 H LYS 78 H LYS 78 5.384 19.300 -11.482 565 HA LYS 78 HA LYS 78 7.274 19.705 -13.706 566 1HB LYS 78 2HB LYS 78 5.178 21.365 -13.066 567 2HB LYS 78 1HB LYS 78 6.520 22.114 -12.212 568 1HG LYS 78 2HG LYS 78 6.437 23.148 -14.319 569 2HG LYS 78 1HG LYS 78 7.793 22.021 -14.393 570 1HD LYS 78 2HD LYS 78 5.575 20.542 -15.221 571 2HD LYS 78 1HD LYS 78 5.387 22.120 -15.991 572 1HE LYS 78 2HE LYS 78 7.688 21.942 -16.855 573 2HE LYS 78 1HE LYS 78 7.819 20.339 -16.131 574 1HZ LYS 78 1HZ LYS 78 7.198 20.502 -18.586 575 2HZ LYS 78 2HZ LYS 78 5.665 20.973 -18.049 576 3HZ LYS 78 3HZ LYS 78 6.284 19.460 -17.615 577 H GLN 79 H GLN 79 9.027 21.381 -12.968 578 HA GLN 79 HA GLN 79 10.077 20.403 -10.401 579 1HB GLN 79 2HB GLN 79 11.666 21.683 -12.625 580 2HB GLN 79 1HB GLN 79 12.280 20.774 -11.252 581 1HG GLN 79 2HG GLN 79 10.433 19.393 -13.115 582 2HG GLN 79 1HG GLN 79 12.078 19.715 -13.659 583 1HE2 GLN 79 1HE2 GLN 79 13.750 18.569 -12.812 584 2HE2 GLN 79 2HE2 GLN 79 13.552 17.252 -11.713 585 H LEU 80 H LEU 80 12.127 22.394 -10.194 586 HA LEU 80 HA LEU 80 12.520 24.455 -9.330 587 1HB LEU 80 2HB LEU 80 9.976 25.201 -10.774 588 2HB LEU 80 1HB LEU 80 11.092 26.339 -10.047 589 HG LEU 80 HG LEU 80 12.211 24.468 -12.059 590 1HD1 LEU 80 1HD1 LEU 80 11.357 25.556 -13.932 591 2HD1 LEU 80 2HD1 LEU 80 10.743 26.910 -12.984 592 3HD1 LEU 80 3HD1 LEU 80 9.946 25.340 -12.897 593 1HD2 LEU 80 1HD2 LEU 80 13.749 26.141 -12.401 594 2HD2 LEU 80 2HD2 LEU 80 13.344 26.398 -10.704 595 3HD2 LEU 80 3HD2 LEU 80 12.622 27.419 -11.948 596 H ARG 81 H ARG 81 11.286 22.576 -7.709 597 HA ARG 81 HA ARG 81 10.270 22.378 -5.687 598 1HB ARG 81 2HB ARG 81 10.382 25.395 -5.794 599 2HB ARG 81 1HB ARG 81 9.899 24.475 -4.375 600 1HG ARG 81 2HG ARG 81 12.189 23.311 -4.638 601 2HG ARG 81 1HG ARG 81 12.592 24.696 -5.655 602 1HD ARG 81 2HD ARG 81 11.320 25.423 -3.126 603 2HD ARG 81 1HD ARG 81 12.856 24.582 -2.927 604 HE ARG 81 HE ARG 81 12.450 27.234 -3.958 605 1HH1 ARG 81 1HH1 ARG 81 14.593 24.481 -3.906 606 2HH1 ARG 81 2HH1 ARG 81 16.001 25.411 -4.296 607 1HH2 ARG 81 1HH2 ARG 81 14.299 28.459 -4.471 608 2HH2 ARG 81 2HH2 ARG 81 15.834 27.670 -4.617 609 H ALA 82 H ALA 82 8.245 21.866 -5.126 610 HA ALA 82 HA ALA 82 6.067 23.001 -6.723 611 1HB ALA 82 1HB ALA 82 5.951 20.582 -4.932 612 2HB ALA 82 2HB ALA 82 6.425 20.519 -6.629 613 3HB ALA 82 3HB ALA 82 4.805 21.056 -6.186 614 H ASP 83 H ASP 83 7.219 22.684 -3.442 615 HA ASP 83 HA ASP 83 4.785 23.855 -2.350 616 1HB ASP 83 2HB ASP 83 5.834 23.474 -0.160 617 2HB ASP 83 1HB ASP 83 5.818 22.002 -1.127 618 HA PRO 84 HA PRO 84 6.597 27.937 -2.998 619 1HB PRO 84 2HB PRO 84 4.319 28.685 -1.241 620 2HB PRO 84 1HB PRO 84 4.797 29.342 -2.809 621 1HG PRO 84 2HG PRO 84 2.686 27.725 -2.586 622 2HG PRO 84 1HG PRO 84 3.766 27.639 -3.990 623 1HD PRO 84 2HD PRO 84 3.576 25.825 -1.624 624 2HD PRO 84 1HD PRO 84 3.904 25.433 -3.325 625 HA PRO 85 HA PRO 85 6.746 28.734 1.874 626 1HB PRO 85 2HB PRO 85 6.390 25.909 2.725 627 2HB PRO 85 1HB PRO 85 5.812 27.395 3.486 628 1HG PRO 85 2HG PRO 85 4.134 25.801 2.167 629 2HG PRO 85 1HG PRO 85 3.984 27.565 2.069 630 1HD PRO 85 2HD PRO 85 5.110 25.643 0.077 631 2HD PRO 85 1HD PRO 85 4.136 27.102 -0.190 632 H SER 86 H SER 86 8.855 29.035 2.178 633 HA SER 86 HA SER 86 10.650 26.830 2.542 634 1HB SER 86 2HB SER 86 10.556 27.021 0.050 635 2HB SER 86 1HB SER 86 11.176 28.665 0.194 636 HG SER 86 HG SER 86 13.105 27.903 0.572 637 H THR 87 H THR 87 10.871 27.872 4.566 638 HA THR 87 HA THR 87 12.817 30.044 4.512 639 HB THR 87 HB THR 87 10.451 30.227 6.363 640 HG1 THR 87 1HG THR 87 10.730 31.251 3.745 641 1HG2 THR 87 1HG2 THR 87 12.169 31.631 7.111 642 2HG2 THR 87 2HG2 THR 87 11.059 32.678 6.225 643 3HG2 THR 87 3HG2 THR 87 12.567 32.153 5.475 644 H ASP 88 H ASP 88 14.313 28.489 5.213 645 HA ASP 88 HA ASP 88 15.546 27.356 6.751 646 1HB ASP 88 2HB ASP 88 13.764 28.814 8.715 647 2HB ASP 88 1HB ASP 88 15.234 27.943 9.138 648 H LEU 89 H LEU 89 13.243 26.088 5.607 649 HA LEU 89 HA LEU 89 12.394 24.333 7.810 650 1HB LEU 89 2HB LEU 89 11.051 25.320 5.368 651 2HB LEU 89 1HB LEU 89 10.733 23.651 5.797 652 HG LEU 89 HG LEU 89 9.002 25.006 6.738 653 1HD1 LEU 89 1HD1 LEU 89 9.006 24.173 8.877 654 2HD1 LEU 89 2HD1 LEU 89 10.714 24.531 9.130 655 3HD1 LEU 89 3HD1 LEU 89 10.240 23.161 8.126 656 1HD2 LEU 89 1HD2 LEU 89 9.293 26.953 7.941 657 2HD2 LEU 89 2HD2 LEU 89 10.577 27.073 6.738 658 3HD2 LEU 89 3HD2 LEU 89 10.954 26.557 8.382 659 H ASN 90 H ASN 90 14.009 24.465 4.737 660 HA ASN 90 HA ASN 90 13.925 21.811 3.942 661 1HB ASN 90 2HB ASN 90 16.106 23.877 3.652 662 2HB ASN 90 1HB ASN 90 16.178 22.295 2.882 663 1HD2 ASN 90 1HD2 ASN 90 15.958 22.793 0.795 664 2HD2 ASN 90 2HD2 ASN 90 14.614 23.642 0.116 665 H THR 91 H THR 91 16.333 23.372 6.072 666 HA THR 91 HA THR 91 17.861 21.074 6.550 667 HB THR 91 HB THR 91 17.551 23.250 8.591 668 HG1 THR 91 1HG THR 91 18.985 23.442 6.153 669 1HG2 THR 91 1HG2 THR 91 20.228 22.780 7.971 670 2HG2 THR 91 2HG2 THR 91 19.472 21.190 8.073 671 3HG2 THR 91 3HG2 THR 91 19.361 22.308 9.432 672 H PHE 92 H PHE 92 14.714 21.799 7.714 673 HA PHE 92 HA PHE 92 14.911 20.459 10.219 674 1HB PHE 92 2HB PHE 92 12.760 21.662 8.608 675 2HB PHE 92 1HB PHE 92 12.257 20.344 9.642 676 HD1 PHE 92 1HD PHE 92 14.076 23.576 9.678 677 HD2 PHE 92 2HD PHE 92 11.862 20.701 11.901 678 HE1 PHE 92 1HE PHE 92 14.022 25.110 11.600 679 HE2 PHE 92 2HE PHE 92 11.802 22.230 13.828 680 HZ PHE 92 HZ PHE 92 12.883 24.438 13.678 681 H THR 93 H THR 93 14.811 19.334 7.018 682 HA THR 93 HA THR 93 14.624 17.266 6.089 683 HB THR 93 HB THR 93 14.897 15.893 8.709 684 HG1 THR 93 1HG THR 93 17.056 16.569 8.888 685 1HG2 THR 93 1HG2 THR 93 15.488 15.294 6.033 686 2HG2 THR 93 2HG2 THR 93 15.811 14.316 7.465 687 3HG2 THR 93 3HG2 THR 93 17.033 15.442 6.873 688 H VAL 94 H VAL 94 13.622 14.857 7.586 689 HA VAL 94 HA VAL 94 10.783 15.603 7.809 690 HB VAL 94 HB VAL 94 10.293 13.287 6.844 691 1HG1 VAL 94 1HG1 VAL 94 10.083 14.143 4.694 692 2HG1 VAL 94 2HG1 VAL 94 11.567 15.088 4.817 693 3HG1 VAL 94 3HG1 VAL 94 10.124 15.593 5.697 694 1HG2 VAL 94 1HG2 VAL 94 12.386 12.215 6.913 695 2HG2 VAL 94 2HG2 VAL 94 13.198 13.566 6.124 696 3HG2 VAL 94 3HG2 VAL 94 12.093 12.544 5.206 697 H GLU 95 H GLU 95 13.397 13.531 8.813 698 HA GLU 95 HA GLU 95 11.793 12.073 10.717 699 1HB GLU 95 2HB GLU 95 13.928 11.028 11.366 700 2HB GLU 95 1HB GLU 95 13.651 10.940 9.631 701 1HG GLU 95 2HG GLU 95 15.064 13.276 9.904 702 2HG GLU 95 1HG GLU 95 15.787 12.229 11.124 703 H GLN 96 H GLN 96 13.548 15.007 10.629 704 HA GLN 96 HA GLN 96 14.161 15.128 13.424 705 1HB GLN 96 2HB GLN 96 14.782 16.626 11.033 706 2HB GLN 96 1HB GLN 96 14.320 17.714 12.333 707 1HG GLN 96 2HG GLN 96 16.172 15.631 13.184 708 2HG GLN 96 1HG GLN 96 16.818 16.668 11.913 709 1HE2 GLN 96 1HE2 GLN 96 17.570 16.426 14.734 710 2HE2 GLN 96 2HE2 GLN 96 17.414 18.010 15.402 711 H LEU 97 H LEU 97 11.435 16.047 11.485 712 HA LEU 97 HA LEU 97 10.504 17.875 13.528 713 1HB LEU 97 2HB LEU 97 8.323 17.410 11.867 714 2HB LEU 97 1HB LEU 97 9.375 18.791 11.879 715 HG LEU 97 HG LEU 97 9.251 18.227 9.662 716 1HD1 LEU 97 1HD1 LEU 97 11.591 16.568 9.768 717 2HD1 LEU 97 2HD1 LEU 97 11.704 17.930 10.885 718 3HD1 LEU 97 3HD1 LEU 97 11.388 18.214 9.179 719 1HD2 LEU 97 1HD2 LEU 97 9.259 15.404 10.601 720 2HD2 LEU 97 2HD2 LEU 97 9.641 15.799 8.932 721 3HD2 LEU 97 3HD2 LEU 97 8.082 16.251 9.606 722 H LYS 98 H LYS 98 9.557 14.760 12.170 723 HA LYS 98 HA LYS 98 7.428 14.242 13.912 724 1HB LYS 98 2HB LYS 98 8.018 12.908 11.871 725 2HB LYS 98 1HB LYS 98 9.337 12.190 12.784 726 1HG LYS 98 2HG LYS 98 7.968 10.677 13.635 727 2HG LYS 98 1HG LYS 98 6.936 11.944 14.300 728 1HD LYS 98 2HD LYS 98 6.786 10.847 11.492 729 2HD LYS 98 1HD LYS 98 5.690 10.442 12.814 730 1HE LYS 98 2HE LYS 98 4.743 12.569 12.843 731 2HE LYS 98 1HE LYS 98 6.102 13.290 11.983 732 1HZ LYS 98 1HZ LYS 98 4.315 11.295 10.723 733 2HZ LYS 98 2HZ LYS 98 5.399 12.351 9.967 734 3HZ LYS 98 3HZ LYS 98 3.988 12.954 10.676 735 H ALA 99 H ALA 99 10.917 13.835 14.333 736 HA ALA 99 HA ALA 99 10.565 12.514 16.883 737 1HB ALA 99 1HB ALA 99 12.911 13.217 15.195 738 2HB ALA 99 2HB ALA 99 12.421 11.650 15.839 739 3HB ALA 99 3HB ALA 99 13.153 12.852 16.903 740 H GLN 100 H GLN 100 11.020 15.690 15.744 741 HA GLN 100 HA GLN 100 11.894 16.697 18.319 742 1HB GLN 100 2HB GLN 100 12.781 17.693 16.245 743 2HB GLN 100 1HB GLN 100 11.160 18.218 15.813 744 1HG GLN 100 2HG GLN 100 11.687 20.129 16.815 745 2HG GLN 100 1HG GLN 100 11.482 19.254 18.331 746 1HE2 GLN 100 1HE2 GLN 100 13.603 20.984 16.374 747 2HE2 GLN 100 2HE2 GLN 100 15.063 20.674 17.245 748 H LEU 101 H LEU 101 8.984 16.667 16.331 749 HA LEU 101 HA LEU 101 7.440 18.446 17.846 750 1HB LEU 101 2HB LEU 101 6.959 16.416 15.804 751 2HB LEU 101 1HB LEU 101 5.651 16.501 16.966 752 HG LEU 101 HG LEU 101 6.555 18.546 14.980 753 1HD1 LEU 101 1HD1 LEU 101 3.743 18.069 15.785 754 2HD1 LEU 101 2HD1 LEU 101 4.573 16.804 14.878 755 3HD1 LEU 101 3HD1 LEU 101 4.426 18.425 14.199 756 1HD2 LEU 101 1HD2 LEU 101 4.755 19.964 16.405 757 2HD2 LEU 101 2HD2 LEU 101 6.502 20.125 16.592 758 3HD2 LEU 101 3HD2 LEU 101 5.585 19.108 17.705 759 H THR 102 H THR 102 7.852 14.938 18.054 760 HA THR 102 HA THR 102 6.115 14.467 20.202 761 HB THR 102 HB THR 102 8.133 12.597 20.506 762 HG1 THR 102 1HG THR 102 9.010 12.207 18.584 763 1HG2 THR 102 1HG2 THR 102 5.720 12.598 18.736 764 2HG2 THR 102 2HG2 THR 102 5.911 11.878 20.336 765 3HG2 THR 102 3HG2 THR 102 6.751 11.184 18.950 766 H GLU 103 H GLU 103 9.555 15.269 20.085 767 HA GLU 103 HA GLU 103 9.886 15.167 22.912 768 1HB GLU 103 2HB GLU 103 11.557 16.151 20.634 769 2HB GLU 103 1HB GLU 103 12.012 16.563 22.281 770 1HG GLU 103 2HG GLU 103 11.755 13.985 22.665 771 2HG GLU 103 1HG GLU 103 11.997 13.919 20.921 772 H ARG 104 H ARG 104 8.282 17.298 20.984 773 HA ARG 104 HA ARG 104 8.753 19.587 22.763 774 1HB ARG 104 2HB ARG 104 8.519 19.398 19.961 775 2HB ARG 104 1HB ARG 104 7.052 20.192 20.512 776 1HG ARG 104 2HG ARG 104 8.480 21.810 21.759 777 2HG ARG 104 1HG ARG 104 9.890 21.065 21.000 778 1HD ARG 104 2HD ARG 104 9.040 21.640 18.800 779 2HD ARG 104 1HD ARG 104 7.576 22.309 19.518 780 HE ARG 104 HE ARG 104 8.745 24.206 20.092 781 1HH1 ARG 104 1HH1 ARG 104 10.978 21.740 19.029 782 2HH1 ARG 104 2HH1 ARG 104 12.326 22.822 18.946 783 1HH2 ARG 104 1HH2 ARG 104 10.518 25.627 19.983 784 2HH2 ARG 104 2HH2 ARG 104 12.066 25.029 19.488 785 H GLY 105 H GLY 105 6.520 17.124 22.024 786 1HA GLY 105 2HA GLY 105 4.438 16.637 22.848 787 2HA GLY 105 1HA GLY 105 4.737 17.863 24.071 788 H ILE 106 H ILE 106 4.003 17.695 20.574 789 HA ILE 106 HA ILE 106 2.119 19.921 21.003 790 HB ILE 106 HB ILE 106 3.638 19.259 18.475 791 1HG1 ILE 106 2HG1 ILE 106 5.041 20.246 20.247 792 2HG1 ILE 106 1HG1 ILE 106 4.836 21.347 18.888 793 1HG2 ILE 106 1HG2 ILE 106 2.626 21.774 18.160 794 2HG2 ILE 106 2HG2 ILE 106 1.318 20.958 19.019 795 3HG2 ILE 106 3HG2 ILE 106 1.914 20.303 17.495 796 1HD1 ILE 106 1HD1 ILE 106 3.999 22.907 20.212 797 2HD1 ILE 106 2HD1 ILE 106 4.392 21.875 21.586 798 3HD1 ILE 106 3HD1 ILE 106 2.791 21.793 20.852 799 H THR 107 H THR 107 2.439 17.906 18.111 800 HA THR 107 HA THR 107 0.529 15.991 18.513 801 HB THR 107 HB THR 107 -1.188 17.539 18.994 802 HG1 THR 107 1HG THR 107 -1.902 16.052 17.482 803 1HG2 THR 107 1HG2 THR 107 -1.625 19.554 17.978 804 2HG2 THR 107 2HG2 THR 107 -0.771 19.113 16.499 805 3HG2 THR 107 3HG2 THR 107 0.137 19.504 17.959 806 H PHE 108 H PHE 108 0.004 14.835 16.619 807 HA PHE 108 HA PHE 108 0.509 15.792 14.008 808 1HB PHE 108 2HB PHE 108 2.517 14.435 13.493 809 2HB PHE 108 1HB PHE 108 2.845 15.704 14.669 810 HD1 PHE 108 2HD PHE 108 2.762 15.016 17.157 811 HD2 PHE 108 1HD PHE 108 3.137 12.256 13.941 812 HE1 PHE 108 2HE PHE 108 3.679 13.342 18.707 813 HE2 PHE 108 1HE PHE 108 4.055 10.575 15.485 814 HZ PHE 108 HZ PHE 108 4.327 11.118 17.873 815 H LYS 109 H LYS 109 -1.449 14.808 13.571 816 HA LYS 109 HA LYS 109 -1.384 12.153 12.672 817 1HB LYS 109 2HB LYS 109 -1.534 12.009 15.306 818 2HB LYS 109 1HB LYS 109 -3.237 12.326 15.008 819 1HG LYS 109 2HG LYS 109 -2.763 10.350 13.217 820 2HG LYS 109 1HG LYS 109 -1.649 9.912 14.513 821 1HD LYS 109 2HD LYS 109 -3.865 10.499 15.944 822 2HD LYS 109 1HD LYS 109 -4.594 9.895 14.456 823 1HE LYS 109 2HE LYS 109 -4.336 7.885 15.433 824 2HE LYS 109 1HE LYS 109 -2.674 8.036 14.863 825 1HZ LYS 109 1HZ LYS 109 -1.899 8.369 16.936 826 2HZ LYS 109 2HZ LYS 109 -3.307 7.550 17.390 827 3HZ LYS 109 3HZ LYS 109 -3.259 9.241 17.443 828 H GLN 110 H GLN 110 -2.995 11.827 11.242 829 HA GLN 110 HA GLN 110 -4.876 12.160 10.008 830 1HB GLN 110 2HB GLN 110 -5.878 12.196 12.427 831 2HB GLN 110 1HB GLN 110 -6.055 13.919 12.127 832 1HG GLN 110 2HG GLN 110 -8.090 12.632 11.627 833 2HG GLN 110 1HG GLN 110 -7.461 13.502 10.229 834 1HE2 GLN 110 1HE2 GLN 110 -6.685 12.372 8.490 835 2HE2 GLN 110 2HE2 GLN 110 -6.869 10.664 8.313 836 H SER 111 H SER 111 -4.569 15.208 11.840 837 HA SER 111 HA SER 111 -5.100 16.838 9.594 838 1HB SER 111 2HB SER 111 -4.446 18.706 11.019 839 2HB SER 111 1HB SER 111 -5.435 17.573 11.940 840 HG SER 111 HG SER 111 -3.830 17.399 13.265 841 H ALA 112 H ALA 112 -2.052 16.686 11.440 842 HA ALA 112 HA ALA 112 -0.565 17.662 9.175 843 1HB ALA 112 1HB ALA 112 0.064 17.008 12.009 844 2HB ALA 112 2HB ALA 112 0.359 18.489 11.099 845 3HB ALA 112 3HB ALA 112 1.388 17.078 10.846 846 H THR 113 H THR 113 1.687 16.430 8.904 847 HA THR 113 HA THR 113 1.688 13.614 9.057 848 HB THR 113 HB THR 113 1.698 13.650 6.314 849 HG1 THR 113 1HG THR 113 -0.003 14.857 5.632 850 1HG2 THR 113 1HG2 THR 113 0.330 12.311 8.230 851 2HG2 THR 113 2HG2 THR 113 0.076 12.131 6.494 852 3HG2 THR 113 3HG2 THR 113 -0.965 13.204 7.431 853 H LYS 114 H LYS 114 2.747 15.567 6.284 854 HA LYS 114 HA LYS 114 5.468 15.485 7.325 855 1HB LYS 114 2HB LYS 114 6.091 14.972 4.794 856 2HB LYS 114 1HB LYS 114 5.802 13.689 5.958 857 1HG LYS 114 2HG LYS 114 3.960 12.978 4.906 858 2HG LYS 114 1HG LYS 114 3.394 14.615 4.576 859 1HD LYS 114 2HD LYS 114 4.443 14.717 2.559 860 2HD LYS 114 1HD LYS 114 5.778 13.688 3.080 861 1HE LYS 114 2HE LYS 114 4.823 11.923 2.131 862 2HE LYS 114 1HE LYS 114 3.367 12.159 3.099 863 1HZ LYS 114 1HZ LYS 114 2.458 13.574 1.447 864 2HZ LYS 114 2HZ LYS 114 3.016 12.191 0.648 865 3HZ LYS 114 3HZ LYS 114 3.909 13.626 0.579 866 H ALA 115 H ALA 115 3.620 16.575 4.488 867 HA ALA 115 HA ALA 115 5.314 18.786 4.001 868 1HB ALA 115 1HB ALA 115 4.082 18.256 2.136 869 2HB ALA 115 2HB ALA 115 3.144 19.610 2.763 870 3HB ALA 115 3HB ALA 115 2.611 17.955 3.061 871 H GLU 116 H GLU 116 2.461 18.288 5.943 872 HA GLU 116 HA GLU 116 2.266 21.103 6.651 873 1HB GLU 116 2HB GLU 116 0.700 18.766 7.756 874 2HB GLU 116 1HB GLU 116 0.308 20.471 7.927 875 1HG GLU 116 2HG GLU 116 0.250 20.439 5.328 876 2HG GLU 116 1HG GLU 116 0.057 18.701 5.541 877 H LEU 117 H LEU 117 3.365 18.087 7.983 878 HA LEU 117 HA LEU 117 3.769 19.042 10.650 879 1HB LEU 117 2HB LEU 117 3.391 16.726 10.405 880 2HB LEU 117 1HB LEU 117 4.567 16.585 9.117 881 HG LEU 117 HG LEU 117 6.198 17.310 11.139 882 1HD1 LEU 117 1HD1 LEU 117 4.203 15.504 12.468 883 2HD1 LEU 117 2HD1 LEU 117 4.149 17.257 12.657 884 3HD1 LEU 117 3HD1 LEU 117 5.570 16.356 13.187 885 1HD2 LEU 117 1HD2 LEU 117 6.329 15.380 9.561 886 2HD2 LEU 117 2HD2 LEU 117 5.274 14.490 10.656 887 3HD2 LEU 117 3HD2 LEU 117 6.865 15.025 11.202 888 H ILE 118 H ILE 118 5.775 18.692 7.783 889 HA ILE 118 HA ILE 118 8.170 19.423 9.186 890 HB ILE 118 HB ILE 118 7.866 18.033 6.958 891 1HG1 ILE 118 2HG1 ILE 118 9.991 18.110 7.905 892 2HG1 ILE 118 1HG1 ILE 118 10.235 18.772 6.296 893 1HG2 ILE 118 1HG2 ILE 118 6.904 19.628 5.505 894 2HG2 ILE 118 2HG2 ILE 118 8.572 19.418 4.982 895 3HG2 ILE 118 3HG2 ILE 118 8.120 20.843 5.912 896 1HD1 ILE 118 1HD1 ILE 118 11.470 20.091 7.830 897 2HD1 ILE 118 2HD1 ILE 118 10.070 20.284 8.886 898 3HD1 ILE 118 3HD1 ILE 118 10.090 21.049 7.297 899 H ALA 119 H ALA 119 5.618 21.069 7.477 900 HA ALA 119 HA ALA 119 7.086 23.571 7.320 901 1HB ALA 119 1HB ALA 119 4.743 24.375 6.531 902 2HB ALA 119 2HB ALA 119 4.390 22.651 6.411 903 3HB ALA 119 3HB ALA 119 5.712 23.348 5.474 904 H LEU 120 H LEU 120 4.636 22.031 9.273 905 HA LEU 120 HA LEU 120 3.563 24.200 10.616 906 1HB LEU 120 2HB LEU 120 3.817 21.318 11.113 907 2HB LEU 120 1HB LEU 120 3.635 22.283 12.564 908 HG LEU 120 HG LEU 120 1.738 22.681 10.283 909 1HD1 LEU 120 1HD1 LEU 120 0.362 20.988 11.867 910 2HD1 LEU 120 2HD1 LEU 120 1.978 20.293 11.986 911 3HD1 LEU 120 3HD1 LEU 120 1.220 20.494 10.406 912 1HD2 LEU 120 1HD2 LEU 120 0.479 23.791 11.793 913 2HD2 LEU 120 2HD2 LEU 120 2.023 23.970 12.628 914 3HD2 LEU 120 3HD2 LEU 120 0.902 22.697 13.111 915 H PHE 121 H PHE 121 6.562 22.418 11.303 916 HA PHE 121 HA PHE 121 7.163 23.466 13.785 917 1HB PHE 121 2HB PHE 121 8.666 22.256 11.603 918 2HB PHE 121 1HB PHE 121 9.629 23.400 12.534 919 HD1 PHE 121 1HD PHE 121 9.827 23.088 15.010 920 HD2 PHE 121 2HD PHE 121 8.112 20.154 12.460 921 HE1 PHE 121 1HE PHE 121 10.143 21.392 16.757 922 HE2 PHE 121 2HE PHE 121 8.428 18.452 14.189 923 HZ PHE 121 HZ PHE 121 9.444 19.068 16.351 924 H ALA 122 H ALA 122 7.712 24.960 10.617 925 HA ALA 122 HA ALA 122 8.235 27.496 12.021 926 1HB ALA 122 1HB ALA 122 9.646 27.835 9.734 927 2HB ALA 122 2HB ALA 122 9.895 26.115 10.032 928 3HB ALA 122 3HB ALA 122 10.340 27.296 11.263 929 HA PRO 123 HA PRO 123 4.776 28.180 9.069 930 1HB PRO 123 2HB PRO 123 3.292 29.729 10.693 931 2HB PRO 123 1HB PRO 123 3.281 27.966 10.820 932 1HG PRO 123 2HG PRO 123 4.756 29.975 12.477 933 2HG PRO 123 1HG PRO 123 3.879 28.524 12.996 934 1HD PRO 123 2HD PRO 123 6.596 28.626 12.711 935 2HD PRO 123 1HD PRO 123 5.646 27.139 12.525 936 H ALA 124 H ALA 124 6.674 30.370 11.040 937 HA ALA 124 HA ALA 124 7.139 32.149 8.880 938 1HB ALA 124 1HB ALA 124 4.876 32.891 9.363 939 2HB ALA 124 2HB ALA 124 6.038 34.144 9.796 940 3HB ALA 124 3HB ALA 124 5.304 33.152 11.054 941 H ASP 125 H ASP 125 7.058 31.770 12.398 942 HA ASP 125 HA ASP 125 8.593 32.198 14.018 943 1HB ASP 125 2HB ASP 125 10.009 31.106 11.912 944 2HB ASP 125 1HB ASP 125 10.912 32.573 12.274 945 H GLY 126 H GLY 126 7.163 34.385 13.180 946 1HA GLY 126 2HA GLY 126 7.189 36.657 13.587 947 2HA GLY 126 1HA GLY 126 8.887 36.517 14.012 948 H GLU 127 H GLU 127 8.757 38.674 12.829 949 HA GLU 127 HA GLU 127 9.347 38.192 9.985 950 1HB GLU 127 2HB GLU 127 7.277 39.823 11.083 951 2HB GLU 127 1HB GLU 127 8.456 40.876 10.315 952 1HG GLU 127 2HG GLU 127 7.836 38.576 8.674 953 2HG GLU 127 1HG GLU 127 6.397 39.511 9.078 954 H LYS 128 H LYS 128 11.533 38.269 10.062 955 HA LYS 128 HA LYS 128 13.631 39.129 10.207 956 1HB LYS 128 2HB LYS 128 12.043 41.182 9.299 957 2HB LYS 128 1HB LYS 128 12.841 41.913 10.685 958 1HG LYS 128 2HG LYS 128 15.014 41.036 9.665 959 2HG LYS 128 1HG LYS 128 14.070 40.785 8.195 960 1HD LYS 128 2HD LYS 128 13.932 42.993 7.755 961 2HD LYS 128 1HD LYS 128 13.753 43.424 9.457 962 1HE LYS 128 2HE LYS 128 16.116 43.211 9.819 963 2HE LYS 128 1HE LYS 128 16.352 42.566 8.196 964 1HZ LYS 128 1HZ LYS 128 15.190 44.885 7.631 965 2HZ LYS 128 2HZ LYS 128 16.866 44.699 7.759 966 3HZ LYS 128 3HZ LYS 128 15.983 45.313 9.064 967 H SER 129 H SER 129 15.042 40.689 11.642 968 HA SER 129 HA SER 129 15.851 41.231 13.699 969 1HB SER 129 2HB SER 129 13.470 42.275 13.870 970 2HB SER 129 1HB SER 129 13.125 40.902 14.921 971 HG SER 129 HG SER 129 15.357 42.594 15.319 972 H GLU 130 H GLU 130 13.196 38.966 14.456 973 HA GLU 130 HA GLU 130 15.129 37.317 15.921 974 1HB GLU 130 2HB GLU 130 12.199 37.788 16.137 975 2HB GLU 130 1HB GLU 130 12.797 36.196 16.585 976 1HG GLU 130 2HG GLU 130 13.747 36.940 18.471 977 2HG GLU 130 1HG GLU 130 14.305 38.436 17.724 978 H ALA 131 H ALA 131 15.129 35.026 15.672 979 HA ALA 131 HA ALA 131 15.189 33.097 14.467 980 1HB ALA 131 1HB ALA 131 12.862 33.810 12.790 981 2HB ALA 131 2HB ALA 131 12.600 33.765 14.533 982 3HB ALA 131 3HB ALA 131 13.202 32.336 13.695 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 27.917 -2.706 16.934 2 2H GLY 1 2HT GLY 1 27.157 -3.559 18.181 3 3H GLY 1 3HT GLY 1 26.656 -1.988 17.805 4 1HA GLY 1 1HA GLY 1 26.273 -3.071 15.444 5 2HA GLY 1 2HA GLY 1 26.086 -4.508 16.440 6 H SER 2 H SER 2 24.892 -1.220 15.939 7 HA SER 2 HA SER 2 22.854 -0.271 16.272 8 1HB SER 2 2HB SER 2 22.361 -2.901 15.341 9 2HB SER 2 1HB SER 2 21.192 -2.588 16.623 10 HG SER 2 HG SER 2 21.571 -1.238 14.186 11 H HIS 3 H HIS 3 22.878 0.709 18.210 12 HA HIS 3 HA HIS 3 21.821 -0.797 20.487 13 1HB HIS 3 2HB HIS 3 24.498 0.398 20.276 14 2HB HIS 3 1HB HIS 3 23.617 0.864 21.726 15 HD1 HIS 3 1HD HIS 3 25.995 -0.731 22.318 16 HD2 HIS 3 2HD HIS 3 22.396 -2.544 21.306 17 HE1 HIS 3 1HE HIS 3 26.140 -3.070 23.231 18 HE2 HIS 3 2HE HIS 3 23.916 -4.120 22.683 19 H MET 4 H MET 4 22.765 2.402 19.260 20 HA MET 4 HA MET 4 20.606 3.594 20.856 21 1HB MET 4 2HB MET 4 23.061 4.788 19.572 22 2HB MET 4 1HB MET 4 21.765 5.770 20.241 23 1HG MET 4 2HG MET 4 23.335 3.734 21.802 24 2HG MET 4 1HG MET 4 23.693 5.459 21.762 25 1HE MET 4 1HE MET 4 22.465 2.801 23.574 26 2HE MET 4 2HE MET 4 20.779 2.812 23.057 27 3HE MET 4 3HE MET 4 21.208 3.365 24.675 28 H ASP 5 H ASP 5 21.762 3.100 17.602 29 HA ASP 5 HA ASP 5 19.864 4.895 16.395 30 1HB ASP 5 2HB ASP 5 22.216 3.946 15.535 31 2HB ASP 5 1HB ASP 5 21.157 2.757 14.782 32 H LYS 6 H LYS 6 18.165 4.238 14.947 33 HA LYS 6 HA LYS 6 17.204 1.503 15.145 34 1HB LYS 6 2HB LYS 6 16.111 3.673 16.726 35 2HB LYS 6 1HB LYS 6 14.892 2.997 15.654 36 1HG LYS 6 2HG LYS 6 15.929 0.727 16.627 37 2HG LYS 6 1HG LYS 6 16.237 1.805 17.991 38 1HD LYS 6 2HD LYS 6 13.671 2.456 17.347 39 2HD LYS 6 1HD LYS 6 13.706 0.734 16.962 40 1HE LYS 6 2HE LYS 6 14.757 0.407 19.257 41 2HE LYS 6 1HE LYS 6 14.285 2.073 19.591 42 1HZ LYS 6 1HZ LYS 6 11.984 1.459 19.128 43 2HZ LYS 6 2HZ LYS 6 12.621 0.533 20.391 44 3HZ LYS 6 3HZ LYS 6 12.450 -0.143 18.850 45 H THR 7 H THR 7 17.661 1.549 12.889 46 HA THR 7 HA THR 7 15.500 2.771 11.332 47 HB THR 7 HB THR 7 17.777 2.877 9.684 48 HG1 THR 7 1HG THR 7 19.315 3.162 11.085 49 1HG2 THR 7 1HG2 THR 7 17.154 5.003 9.307 50 2HG2 THR 7 2HG2 THR 7 16.900 5.353 11.017 51 3HG2 THR 7 3HG2 THR 7 15.684 4.450 10.110 52 H PHE 8 H PHE 8 14.757 1.523 9.652 53 HA PHE 8 HA PHE 8 16.295 -0.834 8.888 54 1HB PHE 8 2HB PHE 8 14.209 -2.254 9.118 55 2HB PHE 8 1HB PHE 8 15.034 -1.816 10.607 56 HD1 PHE 8 2HD PHE 8 13.166 0.914 9.189 57 HD2 PHE 8 1HD PHE 8 12.843 -2.590 11.593 58 HE1 PHE 8 2HE PHE 8 11.048 1.739 10.104 59 HE2 PHE 8 1HE PHE 8 10.718 -1.764 12.509 60 HZ PHE 8 HZ PHE 8 9.816 0.401 11.768 61 H CYS 9 H CYS 9 16.043 -1.490 6.841 62 HA CYS 9 HA CYS 9 14.319 0.115 5.124 63 1HB CYS 9 2HB CYS 9 15.471 -1.124 3.275 64 2HB CYS 9 1HB CYS 9 16.576 -0.237 4.319 65 HG CYS 9 HG CYS 9 16.477 -3.040 5.293 66 H VAL 10 H VAL 10 12.340 -0.602 4.519 67 HA VAL 10 HA VAL 10 11.736 -3.448 4.986 68 HB VAL 10 HB VAL 10 10.426 -1.209 5.946 69 1HG1 VAL 10 1HG1 VAL 10 9.457 -1.205 3.466 70 2HG1 VAL 10 2HG1 VAL 10 8.471 -0.785 4.863 71 3HG1 VAL 10 3HG1 VAL 10 8.371 -2.402 4.171 72 1HG2 VAL 10 1HG2 VAL 10 8.673 -3.481 5.901 73 2HG2 VAL 10 2HG2 VAL 10 9.583 -2.787 7.244 74 3HG2 VAL 10 3HG2 VAL 10 10.339 -3.977 6.191 75 H VAL 11 H VAL 11 10.251 -4.501 3.517 76 HA VAL 11 HA VAL 11 10.049 -3.266 0.882 77 HB VAL 11 HB VAL 11 11.973 -4.516 0.560 78 1HG1 VAL 11 1HG1 VAL 11 12.260 -6.842 1.305 79 2HG1 VAL 11 2HG1 VAL 11 10.696 -6.743 2.117 80 3HG1 VAL 11 3HG1 VAL 11 12.025 -5.701 2.630 81 1HG2 VAL 11 1HG2 VAL 11 10.264 -4.956 -1.161 82 2HG2 VAL 11 2HG2 VAL 11 9.754 -6.386 -0.264 83 3HG2 VAL 11 3HG2 VAL 11 11.373 -6.312 -0.959 84 H VAL 12 H VAL 12 7.948 -3.159 0.578 85 HA VAL 12 HA VAL 12 6.173 -5.227 1.619 86 HB VAL 12 HB VAL 12 5.253 -2.828 0.065 87 1HG1 VAL 12 1HG1 VAL 12 3.551 -4.387 0.602 88 2HG1 VAL 12 2HG1 VAL 12 3.366 -3.022 1.703 89 3HG1 VAL 12 3HG1 VAL 12 4.108 -4.518 2.271 90 1HG2 VAL 12 1HG2 VAL 12 6.521 -1.618 1.532 91 2HG2 VAL 12 2HG2 VAL 12 6.470 -2.864 2.777 92 3HG2 VAL 12 3HG2 VAL 12 5.066 -1.834 2.504 93 H GLN 13 H GLN 13 5.069 -6.651 0.396 94 HA GLN 13 HA GLN 13 5.448 -6.514 -2.524 95 1HB GLN 13 2HB GLN 13 6.390 -8.477 -0.919 96 2HB GLN 13 1HB GLN 13 4.802 -9.127 -1.295 97 1HG GLN 13 2HG GLN 13 5.269 -9.332 -3.543 98 2HG GLN 13 1HG GLN 13 6.554 -8.127 -3.492 99 1HE2 GLN 13 1HE2 GLN 13 8.216 -8.912 -1.610 100 2HE2 GLN 13 2HE2 GLN 13 8.849 -10.488 -1.920 101 H ASN 14 H ASN 14 3.623 -5.939 -3.507 102 HA ASN 14 HA ASN 14 1.057 -6.615 -2.277 103 1HB ASN 14 2HB ASN 14 1.020 -5.047 -4.769 104 2HB ASN 14 1HB ASN 14 0.185 -4.762 -3.246 105 1HD2 ASN 14 1HD2 ASN 14 2.719 -3.851 -5.261 106 2HD2 ASN 14 2HD2 ASN 14 3.509 -2.750 -4.191 107 H ARG 15 H ARG 15 -0.416 -7.937 -3.177 108 HA ARG 15 HA ARG 15 0.114 -9.023 -5.849 109 1HB ARG 15 2HB ARG 15 -0.609 -10.713 -3.446 110 2HB ARG 15 1HB ARG 15 -0.357 -11.292 -5.086 111 1HG ARG 15 2HG ARG 15 1.866 -9.807 -3.813 112 2HG ARG 15 1HG ARG 15 1.519 -11.431 -3.217 113 1HD ARG 15 2HD ARG 15 2.441 -12.367 -5.013 114 2HD ARG 15 1HD ARG 15 1.496 -11.355 -6.103 115 HE ARG 15 HE ARG 15 3.665 -9.921 -4.938 116 1HH1 ARG 15 1HH1 ARG 15 2.857 -12.215 -7.440 117 2HH1 ARG 15 2HH1 ARG 15 4.197 -11.779 -8.447 118 1HH2 ARG 15 1HH2 ARG 15 5.428 -9.345 -6.261 119 2HH2 ARG 15 2HH2 ARG 15 5.657 -10.150 -7.777 120 H ILE 16 H ILE 16 -1.771 -7.050 -4.801 121 HA ILE 16 HA ILE 16 -4.321 -8.467 -5.151 122 HB ILE 16 HB ILE 16 -3.880 -5.688 -4.049 123 1HG1 ILE 16 2HG1 ILE 16 -4.855 -7.280 -2.009 124 2HG1 ILE 16 1HG1 ILE 16 -3.703 -8.336 -2.820 125 1HG2 ILE 16 1HG2 ILE 16 -6.099 -5.448 -3.910 126 2HG2 ILE 16 2HG2 ILE 16 -6.349 -7.124 -3.420 127 3HG2 ILE 16 3HG2 ILE 16 -6.158 -6.723 -5.126 128 1HD1 ILE 16 1HD1 ILE 16 -3.111 -5.582 -1.762 129 2HD1 ILE 16 2HD1 ILE 16 -1.958 -6.670 -2.537 130 3HD1 ILE 16 3HD1 ILE 16 -2.678 -7.105 -0.985 131 H LYS 17 H LYS 17 -2.908 -5.276 -5.988 132 HA LYS 17 HA LYS 17 -3.881 -5.595 -8.709 133 1HB LYS 17 2HB LYS 17 -4.553 -3.002 -7.376 134 2HB LYS 17 1HB LYS 17 -5.290 -3.755 -8.782 135 1HG LYS 17 2HG LYS 17 -5.595 -4.977 -6.071 136 2HG LYS 17 1HG LYS 17 -6.614 -3.631 -6.577 137 1HD LYS 17 2HD LYS 17 -6.298 -6.036 -8.330 138 2HD LYS 17 1HD LYS 17 -7.430 -6.059 -6.976 139 1HE LYS 17 2HE LYS 17 -7.486 -3.776 -8.898 140 2HE LYS 17 1HE LYS 17 -8.212 -5.313 -9.364 141 1HZ LYS 17 1HZ LYS 17 -9.902 -5.048 -7.928 142 2HZ LYS 17 2HZ LYS 17 -9.507 -3.406 -8.031 143 3HZ LYS 17 3HZ LYS 17 -8.941 -4.330 -6.734 144 H GLU 18 H GLU 18 -3.382 -3.229 -9.821 145 HA GLU 18 HA GLU 18 -0.549 -2.730 -9.190 146 1HB GLU 18 2HB GLU 18 -2.034 -3.061 -11.704 147 2HB GLU 18 1HB GLU 18 -0.933 -1.691 -11.699 148 1HG GLU 18 2HG GLU 18 0.932 -3.013 -11.498 149 2HG GLU 18 1HG GLU 18 0.042 -4.342 -10.758 150 H GLY 19 H GLY 19 -3.495 -1.395 -8.683 151 1HA GLY 19 2HA GLY 19 -2.337 1.299 -8.577 152 2HA GLY 19 1HA GLY 19 -3.868 1.072 -9.408 153 H TYR 20 H TYR 20 -2.672 -0.367 -6.382 154 HA TYR 20 HA TYR 20 -5.148 0.402 -5.070 155 1HB TYR 20 2HB TYR 20 -3.985 -1.889 -4.838 156 2HB TYR 20 1HB TYR 20 -2.845 -1.058 -3.783 157 HD1 TYR 20 2HD TYR 20 -6.533 -0.625 -4.076 158 HD2 TYR 20 1HD TYR 20 -3.278 -1.910 -1.658 159 HE1 TYR 20 2HE TYR 20 -8.072 -0.940 -2.184 160 HE2 TYR 20 1HE TYR 20 -4.807 -2.230 0.241 161 HH TYR 20 HH TYR 20 -6.960 -1.504 1.016 162 H ARG 21 H ARG 21 -4.130 2.635 -5.646 163 HA ARG 21 HA ARG 21 -3.158 4.581 -4.992 164 1HB ARG 21 2HB ARG 21 -3.928 5.242 -2.695 165 2HB ARG 21 1HB ARG 21 -5.184 4.646 -3.772 166 1HG ARG 21 2HG ARG 21 -3.892 2.688 -1.970 167 2HG ARG 21 1HG ARG 21 -4.998 3.860 -1.259 168 1HD ARG 21 2HD ARG 21 -5.698 2.141 -3.632 169 2HD ARG 21 1HD ARG 21 -6.037 1.682 -1.967 170 HE ARG 21 HE ARG 21 -7.640 3.390 -1.839 171 1HH1 ARG 21 1HH1 ARG 21 -6.128 3.265 -4.991 172 2HH1 ARG 21 2HH1 ARG 21 -7.368 4.199 -5.755 173 1HH2 ARG 21 1HH2 ARG 21 -9.263 4.621 -2.851 174 2HH2 ARG 21 2HH2 ARG 21 -9.144 4.969 -4.544 175 H ARG 22 H ARG 22 -1.078 4.896 -4.945 176 HA ARG 22 HA ARG 22 0.817 3.384 -3.564 177 1HB ARG 22 2HB ARG 22 1.145 6.250 -4.457 178 2HB ARG 22 1HB ARG 22 2.416 5.055 -4.231 179 1HG ARG 22 2HG ARG 22 2.108 4.166 -6.255 180 2HG ARG 22 1HG ARG 22 0.351 4.235 -6.127 181 1HD ARG 22 2HD ARG 22 0.894 6.854 -6.363 182 2HD ARG 22 1HD ARG 22 2.256 6.187 -7.263 183 HE ARG 22 HE ARG 22 -0.428 6.340 -8.138 184 1HH1 ARG 22 1HH1 ARG 22 2.358 4.239 -8.226 185 2HH1 ARG 22 2HH1 ARG 22 1.895 3.481 -9.713 186 1HH2 ARG 22 1HH2 ARG 22 -1.037 5.344 -10.093 187 2HH2 ARG 22 2HH2 ARG 22 -0.031 4.110 -10.774 188 H ALA 23 H ALA 23 2.455 5.477 -2.402 189 HA ALA 23 HA ALA 23 2.767 6.673 -0.474 190 1HB ALA 23 1HB ALA 23 0.995 7.612 0.727 191 2HB ALA 23 2HB ALA 23 -0.120 6.323 0.271 192 3HB ALA 23 3HB ALA 23 0.385 7.518 -0.926 193 H GLY 24 H GLY 24 2.883 3.767 -0.827 194 1HA GLY 24 2HA GLY 24 3.848 2.304 0.803 195 2HA GLY 24 1HA GLY 24 2.827 3.049 2.023 196 H PHE 25 H PHE 25 1.712 1.975 -1.146 197 HA PHE 25 HA PHE 25 0.625 -0.475 -0.084 198 1HB PHE 25 2HB PHE 25 -1.290 1.652 -1.039 199 2HB PHE 25 1HB PHE 25 -1.708 0.049 -0.449 200 HD1 PHE 25 1HD PHE 25 -1.335 -0.500 1.956 201 HD2 PHE 25 2HD PHE 25 -0.944 3.455 0.433 202 HE1 PHE 25 1HE PHE 25 -1.525 0.394 4.240 203 HE2 PHE 25 2HE PHE 25 -1.133 4.356 2.715 204 HZ PHE 25 HZ PHE 25 -1.424 2.825 4.621 205 H SER 26 H SER 26 -0.330 1.675 -2.772 206 HA SER 26 HA SER 26 -0.690 -0.339 -4.641 207 1HB SER 26 2HB SER 26 -1.520 1.892 -5.070 208 2HB SER 26 1HB SER 26 0.112 2.539 -5.113 209 HG SER 26 HG SER 26 -0.949 2.045 -7.197 210 H PHE 27 H PHE 27 1.816 1.920 -5.561 211 HA PHE 27 HA PHE 27 3.880 1.595 -6.466 212 1HB PHE 27 2HB PHE 27 3.911 -0.447 -4.247 213 2HB PHE 27 1HB PHE 27 5.318 -0.129 -5.256 214 HD1 PHE 27 2HD PHE 27 5.156 2.802 -5.552 215 HD2 PHE 27 1HD PHE 27 4.521 0.321 -2.153 216 HE1 PHE 27 2HE PHE 27 5.792 4.666 -4.077 217 HE2 PHE 27 1HE PHE 27 5.157 2.179 -0.672 218 HZ PHE 27 HZ PHE 27 5.793 4.356 -1.634 219 H HIS 28 H HIS 28 1.558 0.045 -7.519 220 HA HIS 28 HA HIS 28 1.146 -1.486 -9.147 221 1HB HIS 28 2HB HIS 28 3.925 -0.715 -9.523 222 2HB HIS 28 1HB HIS 28 3.629 -2.366 -10.057 223 HD1 HIS 28 1HD HIS 28 1.120 0.434 -10.385 224 HD2 HIS 28 2HD HIS 28 3.640 -1.861 -12.764 225 HE1 HIS 28 1HE HIS 28 0.492 0.984 -12.757 226 HE2 HIS 28 2HE HIS 28 1.968 -0.483 -14.177 227 H LEU 29 H LEU 29 1.853 -3.831 -9.873 228 HA LEU 29 HA LEU 29 1.792 -5.409 -7.456 229 1HB LEU 29 2HB LEU 29 1.447 -5.993 -10.370 230 2HB LEU 29 1HB LEU 29 1.741 -7.310 -9.249 231 HG LEU 29 HG LEU 29 -0.576 -5.385 -9.197 232 1HD1 LEU 29 1HD1 LEU 29 -0.511 -8.365 -9.624 233 2HD1 LEU 29 2HD1 LEU 29 -0.676 -7.164 -10.905 234 3HD1 LEU 29 3HD1 LEU 29 -1.930 -7.318 -9.675 235 1HD2 LEU 29 1HD2 LEU 29 -1.389 -6.881 -7.337 236 2HD2 LEU 29 2HD2 LEU 29 -0.046 -5.811 -6.929 237 3HD2 LEU 29 3HD2 LEU 29 0.252 -7.520 -7.248 238 H GLY 30 H GLY 30 3.696 -5.533 -6.472 239 1HA GLY 30 2HA GLY 30 5.687 -7.273 -7.350 240 2HA GLY 30 1HA GLY 30 6.211 -5.648 -7.764 241 H ASP 31 H ASP 31 7.871 -5.414 -6.346 242 HA ASP 31 HA ASP 31 7.139 -5.424 -3.497 243 1HB ASP 31 2HB ASP 31 9.620 -6.042 -3.117 244 2HB ASP 31 1HB ASP 31 8.511 -7.314 -3.616 245 H ASN 32 H ASN 32 7.491 -3.560 -2.489 246 HA ASN 32 HA ASN 32 9.284 -1.605 -3.783 247 1HB ASN 32 2HB ASN 32 7.876 0.132 -2.631 248 2HB ASN 32 1HB ASN 32 7.028 -0.791 -3.868 249 1HD2 ASN 32 1HD2 ASN 32 5.318 -2.034 -3.313 250 2HD2 ASN 32 2HD2 ASN 32 4.667 -2.122 -1.716 251 H SER 33 H SER 33 11.056 -1.073 -2.682 252 HA SER 33 HA SER 33 11.335 -1.948 0.068 253 1HB SER 33 2HB SER 33 13.354 -0.620 -1.749 254 2HB SER 33 1HB SER 33 13.688 -1.303 -0.156 255 HG SER 33 HG SER 33 14.075 -3.045 -1.284 256 H LEU 34 H LEU 34 11.801 -0.678 1.791 257 HA LEU 34 HA LEU 34 11.230 2.196 1.490 258 1HB LEU 34 2HB LEU 34 9.458 1.181 2.721 259 2HB LEU 34 1HB LEU 34 10.569 0.233 3.684 260 HG LEU 34 HG LEU 34 9.347 2.262 4.710 261 1HD1 LEU 34 1HD1 LEU 34 10.823 0.944 5.971 262 2HD1 LEU 34 2HD1 LEU 34 11.395 2.601 6.161 263 3HD1 LEU 34 3HD1 LEU 34 12.225 1.496 5.061 264 1HD2 LEU 34 1HD2 LEU 34 11.688 3.901 4.207 265 2HD2 LEU 34 2HD2 LEU 34 9.979 4.331 4.192 266 3HD2 LEU 34 3HD2 LEU 34 10.724 3.634 2.755 267 H ALA 35 H ALA 35 12.638 3.644 2.418 268 HA ALA 35 HA ALA 35 15.263 2.764 3.019 269 1HB ALA 35 1HB ALA 35 15.858 4.984 3.027 270 2HB ALA 35 2HB ALA 35 14.313 5.508 3.697 271 3HB ALA 35 3HB ALA 35 14.421 5.019 2.006 272 H ALA 36 H ALA 36 16.386 3.156 5.013 273 HA ALA 36 HA ALA 36 14.914 2.198 7.238 274 1HB ALA 36 1HB ALA 36 17.548 3.389 7.774 275 2HB ALA 36 2HB ALA 36 17.517 2.118 6.553 276 3HB ALA 36 3HB ALA 36 16.918 1.794 8.179 277 H VAL 37 H VAL 37 13.630 3.297 8.478 278 HA VAL 37 HA VAL 37 14.308 6.064 9.197 279 HB VAL 37 HB VAL 37 12.222 6.898 8.734 280 1HG1 VAL 37 1HG1 VAL 37 13.302 5.508 6.702 281 2HG1 VAL 37 2HG1 VAL 37 11.836 6.476 6.552 282 3HG1 VAL 37 3HG1 VAL 37 11.720 4.733 6.798 283 1HG2 VAL 37 1HG2 VAL 37 10.229 5.194 8.418 284 2HG2 VAL 37 2HG2 VAL 37 10.716 5.753 10.019 285 3HG2 VAL 37 3HG2 VAL 37 11.247 4.175 9.435 286 H SER 38 H SER 38 12.368 6.627 10.992 287 HA SER 38 HA SER 38 13.222 5.327 13.318 288 1HB SER 38 2HB SER 38 11.613 6.627 14.481 289 2HB SER 38 1HB SER 38 12.113 7.618 13.109 290 HG SER 38 HG SER 38 9.667 6.540 13.692 291 H GLU 39 H GLU 39 10.024 5.098 11.744 292 HA GLU 39 HA GLU 39 9.811 2.320 11.898 293 1HB GLU 39 2HB GLU 39 9.694 3.254 14.416 294 2HB GLU 39 1HB GLU 39 7.993 3.367 13.984 295 1HG GLU 39 2HG GLU 39 8.389 0.907 13.144 296 2HG GLU 39 1HG GLU 39 9.717 0.972 14.302 297 H SER 40 H SER 40 8.430 5.418 11.447 298 HA SER 40 HA SER 40 5.780 5.090 11.047 299 1HB SER 40 2HB SER 40 6.681 7.235 10.645 300 2HB SER 40 1HB SER 40 7.788 6.631 9.412 301 HG SER 40 HG SER 40 4.962 6.809 9.227 302 H GLN 41 H GLN 41 8.328 3.857 8.951 303 HA GLN 41 HA GLN 41 6.781 3.184 6.720 304 1HB GLN 41 2HB GLN 41 8.542 1.630 6.137 305 2HB GLN 41 1HB GLN 41 9.221 3.136 6.721 306 1HG GLN 41 2HG GLN 41 10.559 1.602 7.753 307 2HG GLN 41 1HG GLN 41 9.352 1.905 8.996 308 1HE2 GLN 41 1HE2 GLN 41 7.967 0.094 6.525 309 2HE2 GLN 41 2HE2 GLN 41 8.159 -1.468 7.223 310 H LEU 42 H LEU 42 7.608 1.232 9.563 311 HA LEU 42 HA LEU 42 6.358 -1.124 8.815 312 1HB LEU 42 2HB LEU 42 7.828 -0.978 10.743 313 2HB LEU 42 1HB LEU 42 6.682 0.058 11.571 314 HG LEU 42 HG LEU 42 5.069 -2.005 11.261 315 1HD1 LEU 42 1HD1 LEU 42 7.168 -3.083 10.001 316 2HD1 LEU 42 2HD1 LEU 42 5.985 -4.037 10.895 317 3HD1 LEU 42 3HD1 LEU 42 7.519 -3.606 11.649 318 1HD2 LEU 42 1HD2 LEU 42 5.322 -2.300 13.477 319 2HD2 LEU 42 2HD2 LEU 42 6.413 -0.920 13.341 320 3HD2 LEU 42 3HD2 LEU 42 7.062 -2.560 13.351 321 H ALA 43 H ALA 43 4.995 1.560 10.703 322 HA ALA 43 HA ALA 43 2.395 0.355 10.788 323 1HB ALA 43 1HB ALA 43 1.885 2.858 11.534 324 2HB ALA 43 2HB ALA 43 3.630 2.842 11.786 325 3HB ALA 43 3HB ALA 43 2.609 1.665 12.611 326 H GLN 44 H GLN 44 4.030 2.647 8.709 327 HA GLN 44 HA GLN 44 1.808 3.836 7.489 328 1HB GLN 44 2HB GLN 44 4.658 3.441 6.792 329 2HB GLN 44 1HB GLN 44 3.578 3.743 5.438 330 1HG GLN 44 2HG GLN 44 2.743 5.740 6.833 331 2HG GLN 44 1HG GLN 44 4.227 5.514 7.758 332 1HE2 GLN 44 1HE2 GLN 44 3.383 5.380 4.310 333 2HE2 GLN 44 2HE2 GLN 44 4.616 6.474 3.792 334 H LEU 45 H LEU 45 3.604 0.903 6.658 335 HA LEU 45 HA LEU 45 1.848 0.236 4.480 336 1HB LEU 45 2HB LEU 45 3.712 -1.711 5.770 337 2HB LEU 45 1HB LEU 45 3.259 -1.569 4.082 338 1HD1 LEU 45 1HD1 LEU 45 5.698 -2.150 4.508 339 2HD1 LEU 45 2HD1 LEU 45 6.468 -1.096 5.695 340 3HD1 LEU 45 3HD1 LEU 45 6.715 -0.814 3.972 341 1HD2 LEU 45 1HD2 LEU 45 4.299 1.498 3.526 342 2HD2 LEU 45 2HD2 LEU 45 4.031 -0.039 2.704 343 3HD2 LEU 45 3HD2 LEU 45 5.671 0.575 2.915 344 H LYS 46 H LYS 46 2.471 -1.038 7.726 345 HA LYS 46 HA LYS 46 0.517 -3.069 7.657 346 1HB LYS 46 2HB LYS 46 2.479 -2.651 9.328 347 2HB LYS 46 1HB LYS 46 1.294 -1.693 10.205 348 1HG LYS 46 2HG LYS 46 -0.005 -3.528 10.723 349 2HG LYS 46 1HG LYS 46 0.637 -4.489 9.389 350 1HD LYS 46 2HD LYS 46 2.662 -3.667 11.333 351 2HD LYS 46 1HD LYS 46 1.401 -4.696 12.014 352 1HE LYS 46 2HE LYS 46 2.314 -5.656 9.434 353 2HE LYS 46 1HE LYS 46 3.637 -5.526 10.594 354 1HZ LYS 46 1HZ LYS 46 2.314 -7.692 10.508 355 2HZ LYS 46 2HZ LYS 46 1.099 -6.846 11.325 356 3HZ LYS 46 3HZ LYS 46 2.626 -7.023 12.030 357 H ALA 47 H ALA 47 0.211 0.319 7.924 358 HA ALA 47 HA ALA 47 -1.923 0.781 9.560 359 1HB ALA 47 1HB ALA 47 -2.232 2.191 7.035 360 2HB ALA 47 2HB ALA 47 -0.577 2.226 7.642 361 3HB ALA 47 3HB ALA 47 -1.897 2.816 8.650 362 H ASP 48 H ASP 48 -2.029 -0.484 6.256 363 HA ASP 48 HA ASP 48 -4.924 -0.873 6.520 364 1HB ASP 48 2HB ASP 48 -3.495 0.128 4.425 365 2HB ASP 48 1HB ASP 48 -3.637 -1.564 3.959 366 HA PRO 49 HA PRO 49 -3.950 -5.173 7.311 367 1HB PRO 49 2HB PRO 49 -6.464 -6.021 7.750 368 2HB PRO 49 1HB PRO 49 -5.595 -5.029 8.928 369 1HG PRO 49 2HG PRO 49 -7.647 -4.206 6.909 370 2HG PRO 49 1HG PRO 49 -7.498 -3.728 8.610 371 1HD PRO 49 2HD PRO 49 -6.636 -2.176 6.542 372 2HD PRO 49 1HD PRO 49 -5.895 -2.147 8.155 373 H ARG 50 H ARG 50 -3.542 -4.804 4.766 374 HA ARG 50 HA ARG 50 -5.079 -6.923 3.479 375 1HB ARG 50 2HB ARG 50 -5.993 -4.559 2.922 376 2HB ARG 50 1HB ARG 50 -4.542 -4.401 1.941 377 1HG ARG 50 2HG ARG 50 -5.497 -5.521 0.292 378 2HG ARG 50 1HG ARG 50 -5.781 -6.901 1.354 379 1HD ARG 50 2HD ARG 50 -7.620 -4.655 1.763 380 2HD ARG 50 1HD ARG 50 -7.729 -5.403 0.171 381 HE ARG 50 HE ARG 50 -8.531 -6.545 2.683 382 1HH1 ARG 50 1HH1 ARG 50 -7.527 -7.241 -0.586 383 2HH1 ARG 50 2HH1 ARG 50 -8.285 -8.797 -0.621 384 1HH2 ARG 50 1HH2 ARG 50 -9.529 -8.593 2.639 385 2HH2 ARG 50 2HH2 ARG 50 -9.423 -9.565 1.210 386 H LEU 51 H LEU 51 -2.385 -4.626 3.165 387 HA LEU 51 HA LEU 51 -0.969 -6.499 1.439 388 1HB LEU 51 2HB LEU 51 -0.426 -3.672 2.301 389 2HB LEU 51 1HB LEU 51 0.769 -4.625 1.443 390 HG LEU 51 HG LEU 51 -1.989 -4.170 0.330 391 1HD1 LEU 51 1HD1 LEU 51 -1.082 -1.977 0.663 392 2HD1 LEU 51 2HD1 LEU 51 -0.958 -2.381 -1.048 393 3HD1 LEU 51 3HD1 LEU 51 0.470 -2.465 -0.018 394 1HD2 LEU 51 1HD2 LEU 51 -1.076 -4.879 -1.711 395 2HD2 LEU 51 2HD2 LEU 51 -0.442 -6.007 -0.512 396 3HD2 LEU 51 3HD2 LEU 51 0.580 -4.708 -1.128 397 H VAL 52 H VAL 52 0.960 -7.465 1.932 398 HA VAL 52 HA VAL 52 1.447 -7.925 4.747 399 HB VAL 52 HB VAL 52 2.944 -9.065 2.407 400 1HG1 VAL 52 1HG1 VAL 52 4.121 -9.417 4.448 401 2HG1 VAL 52 2HG1 VAL 52 3.367 -10.942 3.983 402 3HG1 VAL 52 3HG1 VAL 52 2.652 -9.962 5.262 403 1HG2 VAL 52 1HG2 VAL 52 1.437 -10.947 2.433 404 2HG2 VAL 52 2HG2 VAL 52 0.509 -9.464 2.205 405 3HG2 VAL 52 3HG2 VAL 52 0.541 -10.251 3.783 406 H VAL 53 H VAL 53 2.633 -6.463 5.787 407 HA VAL 53 HA VAL 53 5.015 -5.342 4.474 408 HB VAL 53 HB VAL 53 3.734 -3.538 5.230 409 1HG1 VAL 53 1HG1 VAL 53 2.075 -4.645 6.537 410 2HG1 VAL 53 2HG1 VAL 53 2.804 -3.395 7.545 411 3HG1 VAL 53 3HG1 VAL 53 3.259 -5.085 7.768 412 1HG2 VAL 53 1HG2 VAL 53 6.099 -3.405 5.945 413 2HG2 VAL 53 2HG2 VAL 53 5.629 -4.047 7.518 414 3HG2 VAL 53 3HG2 VAL 53 5.012 -2.483 6.986 415 H GLN 54 H GLN 54 6.914 -6.155 5.022 416 HA GLN 54 HA GLN 54 7.221 -7.370 7.693 417 1HB GLN 54 2HB GLN 54 8.679 -9.081 6.696 418 2HB GLN 54 1HB GLN 54 7.049 -9.145 6.041 419 1HG GLN 54 2HG GLN 54 8.752 -7.428 4.463 420 2HG GLN 54 1HG GLN 54 9.426 -9.050 4.616 421 1HE2 GLN 54 1HE2 GLN 54 9.063 -9.661 2.528 422 2HE2 GLN 54 2HE2 GLN 54 7.485 -9.904 1.868 423 H ILE 55 H ILE 55 8.958 -6.791 8.839 424 HA ILE 55 HA ILE 55 10.828 -4.881 7.633 425 HB ILE 55 HB ILE 55 11.514 -4.439 9.995 426 1HG1 ILE 55 2HG1 ILE 55 9.128 -5.544 11.208 427 2HG1 ILE 55 1HG1 ILE 55 10.109 -6.818 10.490 428 1HG2 ILE 55 1HG2 ILE 55 8.717 -4.006 9.034 429 2HG2 ILE 55 2HG2 ILE 55 10.049 -2.859 9.162 430 3HG2 ILE 55 3HG2 ILE 55 9.218 -3.409 10.616 431 1HD1 ILE 55 1HD1 ILE 55 10.780 -6.583 12.746 432 2HD1 ILE 55 2HD1 ILE 55 10.926 -4.832 12.590 433 3HD1 ILE 55 3HD1 ILE 55 12.061 -5.890 11.751 434 H THR 56 H THR 56 12.907 -5.322 7.292 435 HA THR 56 HA THR 56 14.019 -7.793 8.446 436 HB THR 56 HB THR 56 14.666 -6.632 5.729 437 HG1 THR 56 1HG THR 56 12.528 -7.601 5.979 438 1HG2 THR 56 1HG2 THR 56 15.292 -9.411 6.622 439 2HG2 THR 56 2HG2 THR 56 16.398 -8.079 6.962 440 3HG2 THR 56 3HG2 THR 56 15.984 -8.477 5.295 441 H GLU 57 H GLU 57 15.311 -7.078 10.033 442 HA GLU 57 HA GLU 57 16.843 -4.641 9.735 443 1HB GLU 57 2HB GLU 57 16.197 -6.507 11.944 444 2HB GLU 57 1HB GLU 57 17.734 -5.660 12.065 445 1HG GLU 57 2HG GLU 57 16.759 -3.713 12.549 446 2HG GLU 57 1HG GLU 57 15.494 -3.934 11.342 447 H THR 58 H THR 58 17.993 -7.718 11.072 448 HA THR 58 HA THR 58 20.590 -7.300 9.911 449 HB THR 58 HB THR 58 20.676 -9.839 10.911 450 HG1 THR 58 1HG THR 58 18.599 -9.892 11.651 451 1HG2 THR 58 1HG2 THR 58 21.805 -9.002 12.737 452 2HG2 THR 58 2HG2 THR 58 20.801 -7.555 12.826 453 3HG2 THR 58 3HG2 THR 58 22.000 -7.720 11.543 454 H GLY 59 H GLY 59 20.997 -7.739 7.852 455 1HA GLY 59 2HA GLY 59 19.556 -9.974 6.577 456 2HA GLY 59 1HA GLY 59 20.241 -8.600 5.722 457 H SER 60 H SER 60 21.764 -10.571 8.232 458 HA SER 60 HA SER 60 23.661 -11.824 8.244 459 1HB SER 60 2HB SER 60 22.716 -12.299 5.420 460 2HB SER 60 1HB SER 60 24.179 -13.055 6.050 461 HG SER 60 HG SER 60 23.006 -14.347 7.244 462 H GLN 61 H GLN 61 24.761 -9.746 8.573 463 HA GLN 61 HA GLN 61 27.043 -9.507 6.955 464 1HB GLN 61 2HB GLN 61 24.854 -8.201 5.842 465 2HB GLN 61 1HB GLN 61 25.751 -6.918 6.642 466 1HG GLN 61 2HG GLN 61 27.801 -7.819 5.440 467 2HG GLN 61 1HG GLN 61 26.673 -8.757 4.462 468 1HE2 GLN 61 1HE2 GLN 61 27.134 -7.705 2.565 469 2HE2 GLN 61 2HE2 GLN 61 26.688 -6.063 2.265 470 H GLU 62 H GLU 62 28.500 -9.035 8.452 471 HA GLU 62 HA GLU 62 27.738 -7.330 10.708 472 1HB GLU 62 2HB GLU 62 29.200 -9.708 10.541 473 2HB GLU 62 1HB GLU 62 30.401 -8.467 10.873 474 1HG GLU 62 2HG GLU 62 27.928 -8.440 12.501 475 2HG GLU 62 1HG GLU 62 29.085 -9.737 12.791 476 H GLY 63 H GLY 63 28.516 -5.330 10.965 477 1HA GLY 63 2HA GLY 63 30.128 -3.618 10.840 478 2HA GLY 63 1HA GLY 63 30.986 -4.545 9.617 479 H GLY 64 H GLY 64 31.170 -2.817 8.193 480 1HA GLY 64 2HA GLY 64 28.736 -2.281 6.669 481 2HA GLY 64 1HA GLY 64 29.563 -0.891 7.356 482 H GLU 65 H GLU 65 30.792 -3.851 5.810 483 HA GLU 65 HA GLU 65 32.833 -2.503 4.411 484 1HB GLU 65 2HB GLU 65 31.581 -5.213 3.951 485 2HB GLU 65 1HB GLU 65 33.014 -4.640 3.111 486 1HG GLU 65 2HG GLU 65 34.333 -5.169 4.813 487 2HG GLU 65 1HG GLU 65 33.282 -4.361 5.974 488 H GLY 66 H GLY 66 33.063 -2.128 2.151 489 1HA GLY 66 2HA GLY 66 31.973 -2.229 -0.070 490 2HA GLY 66 1HA GLY 66 30.482 -1.787 0.749 491 H LEU 67 H LEU 67 30.998 0.300 2.249 492 HA LEU 67 HA LEU 67 31.780 2.339 0.316 493 1HB LEU 67 2HB LEU 67 30.614 2.798 3.052 494 2HB LEU 67 1HB LEU 67 30.633 3.901 1.689 495 HG LEU 67 HG LEU 67 29.193 1.323 1.338 496 1HD1 LEU 67 1HD1 LEU 67 28.481 3.391 3.325 497 2HD1 LEU 67 2HD1 LEU 67 28.093 1.672 3.283 498 3HD1 LEU 67 3HD1 LEU 67 27.181 2.806 2.287 499 1HD2 LEU 67 1HD2 LEU 67 28.049 3.936 0.590 500 2HD2 LEU 67 2HD2 LEU 67 28.125 2.426 -0.317 501 3HD2 LEU 67 3HD2 LEU 67 29.539 3.476 -0.232 502 H SER 68 H SER 68 33.677 3.340 0.385 503 HA SER 68 HA SER 68 35.356 2.994 2.767 504 1HB SER 68 2HB SER 68 37.178 3.827 1.144 505 2HB SER 68 1HB SER 68 36.524 2.212 0.877 506 HG SER 68 HG SER 68 35.583 4.538 -0.444 507 H LYS 69 H LYS 69 36.651 4.794 3.511 508 HA LYS 69 HA LYS 69 35.145 7.285 3.409 509 1HB LYS 69 2HB LYS 69 37.443 6.373 5.144 510 2HB LYS 69 1HB LYS 69 36.717 7.971 5.247 511 1HG LYS 69 2HG LYS 69 35.500 6.984 6.863 512 2HG LYS 69 1HG LYS 69 34.511 6.475 5.494 513 1HD LYS 69 2HD LYS 69 36.772 4.702 6.077 514 2HD LYS 69 1HD LYS 69 35.575 4.801 7.369 515 1HE LYS 69 2HE LYS 69 33.967 3.782 6.142 516 2HE LYS 69 1HE LYS 69 34.518 4.500 4.629 517 1HZ LYS 69 1HZ LYS 69 35.761 2.203 6.042 518 2HZ LYS 69 2HZ LYS 69 36.387 2.928 4.648 519 3HZ LYS 69 3HZ LYS 69 34.891 2.142 4.592 520 H GLU 70 H GLU 70 38.493 6.183 2.925 521 HA GLU 70 HA GLU 70 39.519 8.666 2.089 522 1HB GLU 70 2HB GLU 70 40.505 5.922 1.295 523 2HB GLU 70 1HB GLU 70 41.429 7.418 1.268 524 1HG GLU 70 2HG GLU 70 41.235 7.565 3.709 525 2HG GLU 70 1HG GLU 70 40.350 6.040 3.717 526 HA PRO 71 HA PRO 71 38.031 9.091 -2.039 527 1HB PRO 71 2HB PRO 71 40.103 10.377 -3.231 528 2HB PRO 71 1HB PRO 71 39.022 11.164 -2.075 529 1HG PRO 71 2HG PRO 71 41.749 10.009 -1.634 530 2HG PRO 71 1HG PRO 71 41.070 11.534 -1.035 531 1HD PRO 71 2HD PRO 71 41.238 9.313 0.504 532 2HD PRO 71 1HD PRO 71 39.929 10.498 0.680 533 H ALA 72 H ALA 72 37.869 7.658 -3.640 534 HA ALA 72 HA ALA 72 40.275 6.433 -4.750 535 1HB ALA 72 1HB ALA 72 39.064 5.030 -2.861 536 2HB ALA 72 2HB ALA 72 39.753 4.262 -4.292 537 3HB ALA 72 3HB ALA 72 38.020 4.580 -4.208 538 H GLY 73 H GLY 73 36.711 6.270 -4.941 539 1HA GLY 73 2HA GLY 73 35.293 6.536 -6.729 540 2HA GLY 73 1HA GLY 73 36.611 7.348 -7.560 541 H SER 74 H SER 74 34.802 4.455 -7.237 542 HA SER 74 HA SER 74 36.548 2.635 -8.491 543 1HB SER 74 2HB SER 74 34.189 2.345 -7.261 544 2HB SER 74 1HB SER 74 33.617 2.351 -8.928 545 HG SER 74 HG SER 74 35.108 0.464 -7.571 546 H ASP 75 H ASP 75 37.222 2.508 -10.522 547 HA ASP 75 HA ASP 75 35.781 4.044 -12.573 548 1HB ASP 75 2HB ASP 75 38.324 4.380 -11.962 549 2HB ASP 75 1HB ASP 75 38.543 2.978 -13.004 550 H GLU 76 H GLU 76 34.288 2.110 -12.521 551 HA GLU 76 HA GLU 76 34.927 0.420 -14.758 552 1HB GLU 76 2HB GLU 76 35.146 -0.580 -12.010 553 2HB GLU 76 1HB GLU 76 34.095 -1.553 -13.031 554 1HG GLU 76 2HG GLU 76 35.977 -2.589 -13.623 555 2HG GLU 76 1HG GLU 76 36.234 -1.187 -14.661 556 H GLN 77 H GLN 77 33.138 0.823 -15.894 557 HA GLN 77 HA GLN 77 30.539 0.567 -14.530 558 1HB GLN 77 2HB GLN 77 31.526 2.440 -16.618 559 2HB GLN 77 1HB GLN 77 29.852 1.913 -16.733 560 1HG GLN 77 2HG GLN 77 31.070 3.159 -14.281 561 2HG GLN 77 1HG GLN 77 30.171 4.048 -15.512 562 1HE2 GLN 77 1HE2 GLN 77 29.991 1.857 -12.850 563 2HE2 GLN 77 2HE2 GLN 77 28.271 1.845 -12.699 564 H LYS 78 H LYS 78 28.759 -0.234 -15.904 565 HA LYS 78 HA LYS 78 29.444 -1.738 -18.266 566 1HB LYS 78 2HB LYS 78 30.139 -3.235 -16.391 567 2HB LYS 78 1HB LYS 78 28.475 -3.232 -15.824 568 1HG LYS 78 2HG LYS 78 28.882 -3.986 -18.645 569 2HG LYS 78 1HG LYS 78 29.495 -5.114 -17.435 570 1HD LYS 78 2HD LYS 78 27.432 -5.745 -16.812 571 2HD LYS 78 1HD LYS 78 26.810 -4.094 -16.863 572 1HE LYS 78 2HE LYS 78 26.417 -4.214 -19.190 573 2HE LYS 78 1HE LYS 78 27.365 -5.692 -19.349 574 1HZ LYS 78 1HZ LYS 78 25.090 -6.290 -19.433 575 2HZ LYS 78 2HZ LYS 78 24.716 -5.383 -18.055 576 3HZ LYS 78 3HZ LYS 78 25.657 -6.781 -17.915 577 H GLN 79 H GLN 79 27.027 -1.247 -15.711 578 HA GLN 79 HA GLN 79 24.918 -1.416 -17.751 579 1HB GLN 79 2HB GLN 79 25.109 -2.565 -15.215 580 2HB GLN 79 1HB GLN 79 23.971 -1.241 -15.010 581 1HG GLN 79 2HG GLN 79 22.914 -2.250 -17.194 582 2HG GLN 79 1HG GLN 79 23.742 -3.707 -16.648 583 1HE2 GLN 79 1HE2 GLN 79 21.470 -4.456 -16.556 584 2HE2 GLN 79 2HE2 GLN 79 20.590 -4.190 -15.093 585 H LEU 80 H LEU 80 23.046 0.079 -17.418 586 HA LEU 80 HA LEU 80 23.544 2.549 -16.024 587 1HB LEU 80 2HB LEU 80 23.558 4.001 -17.937 588 2HB LEU 80 1HB LEU 80 24.858 2.835 -18.100 589 HG LEU 80 HG LEU 80 22.210 2.405 -19.452 590 1HD1 LEU 80 1HD1 LEU 80 23.022 3.495 -21.419 591 2HD1 LEU 80 2HD1 LEU 80 24.579 3.823 -20.658 592 3HD1 LEU 80 3HD1 LEU 80 23.125 4.636 -20.078 593 1HD2 LEU 80 1HD2 LEU 80 24.947 1.251 -19.591 594 2HD2 LEU 80 2HD2 LEU 80 23.981 1.301 -21.064 595 3HD2 LEU 80 3HD2 LEU 80 23.378 0.450 -19.642 596 H ARG 81 H ARG 81 21.530 0.466 -16.045 597 HA ARG 81 HA ARG 81 19.211 2.113 -16.048 598 1HB ARG 81 2HB ARG 81 18.058 0.393 -17.726 599 2HB ARG 81 1HB ARG 81 18.818 1.876 -18.282 600 1HG ARG 81 2HG ARG 81 19.549 0.177 -19.736 601 2HG ARG 81 1HG ARG 81 20.911 0.517 -18.667 602 1HD ARG 81 2HD ARG 81 20.691 -1.863 -18.914 603 2HD ARG 81 1HD ARG 81 20.234 -1.416 -17.270 604 HE ARG 81 HE ARG 81 17.867 -1.437 -18.554 605 1HH1 ARG 81 1HH1 ARG 81 20.468 -3.757 -18.376 606 2HH1 ARG 81 2HH1 ARG 81 19.427 -5.127 -18.572 607 1HH2 ARG 81 1HH2 ARG 81 16.495 -3.237 -18.811 608 2HH2 ARG 81 2HH2 ARG 81 17.172 -4.832 -18.820 609 H ALA 82 H ALA 82 19.681 1.136 -13.880 610 HA ALA 82 HA ALA 82 19.364 -1.583 -13.321 611 1HB ALA 82 1HB ALA 82 19.951 0.617 -11.845 612 2HB ALA 82 2HB ALA 82 19.589 -0.972 -11.171 613 3HB ALA 82 3HB ALA 82 18.321 0.250 -11.278 614 H ASP 83 H ASP 83 17.672 -2.719 -14.056 615 HA ASP 83 HA ASP 83 15.062 -2.184 -12.995 616 1HB ASP 83 2HB ASP 83 15.455 -0.810 -15.238 617 2HB ASP 83 1HB ASP 83 15.054 -2.359 -15.973 618 HA PRO 84 HA PRO 84 16.131 -6.667 -13.315 619 1HB PRO 84 2HB PRO 84 13.832 -6.622 -11.414 620 2HB PRO 84 1HB PRO 84 15.355 -7.516 -11.318 621 1HG PRO 84 2HG PRO 84 14.960 -5.353 -9.821 622 2HG PRO 84 1HG PRO 84 16.543 -5.674 -10.556 623 1HD PRO 84 2HD PRO 84 14.446 -3.706 -11.350 624 2HD PRO 84 1HD PRO 84 16.214 -3.569 -11.429 625 HA PRO 85 HA PRO 85 12.856 -7.461 -16.238 626 1HB PRO 85 2HB PRO 85 13.424 -10.041 -16.792 627 2HB PRO 85 1HB PRO 85 14.427 -8.707 -17.376 628 1HG PRO 85 2HG PRO 85 14.861 -10.516 -15.029 629 2HG PRO 85 1HG PRO 85 16.028 -9.959 -16.242 630 1HD PRO 85 2HD PRO 85 15.816 -8.850 -13.766 631 2HD PRO 85 1HD PRO 85 16.339 -7.936 -15.195 632 H SER 86 H SER 86 10.915 -8.676 -16.435 633 HA SER 86 HA SER 86 9.788 -9.452 -13.911 634 1HB SER 86 2HB SER 86 7.770 -10.005 -15.435 635 2HB SER 86 1HB SER 86 8.271 -8.320 -15.299 636 HG SER 86 HG SER 86 8.920 -8.335 -17.320 637 H THR 87 H THR 87 9.169 -11.463 -13.226 638 HA THR 87 HA THR 87 9.494 -13.702 -12.905 639 HB THR 87 HB THR 87 7.579 -13.615 -14.486 640 HG1 THR 87 1HG THR 87 7.609 -15.761 -14.828 641 1HG2 THR 87 1HG2 THR 87 9.723 -13.967 -16.551 642 2HG2 THR 87 2HG2 THR 87 8.438 -12.761 -16.496 643 3HG2 THR 87 3HG2 THR 87 8.049 -14.451 -16.821 644 H ASP 88 H ASP 88 10.316 -15.777 -14.519 645 HA ASP 88 HA ASP 88 12.149 -16.843 -15.345 646 1HB ASP 88 2HB ASP 88 12.077 -14.539 -16.793 647 2HB ASP 88 1HB ASP 88 13.664 -14.407 -16.042 648 H LEU 89 H LEU 89 13.546 -13.794 -14.131 649 HA LEU 89 HA LEU 89 15.731 -15.043 -12.871 650 1HB LEU 89 2HB LEU 89 14.519 -12.333 -12.839 651 2HB LEU 89 1HB LEU 89 15.605 -12.736 -11.524 652 HG LEU 89 HG LEU 89 16.703 -11.549 -13.412 653 1HD1 LEU 89 1HD1 LEU 89 18.149 -14.031 -13.612 654 2HD1 LEU 89 2HD1 LEU 89 17.605 -13.757 -11.956 655 3HD1 LEU 89 3HD1 LEU 89 18.584 -12.540 -12.776 656 1HD2 LEU 89 1HD2 LEU 89 17.196 -12.957 -15.442 657 2HD2 LEU 89 2HD2 LEU 89 15.538 -12.375 -15.302 658 3HD2 LEU 89 3HD2 LEU 89 15.921 -14.047 -14.896 659 H ASN 90 H ASN 90 12.459 -14.774 -11.921 660 HA ASN 90 HA ASN 90 12.506 -14.570 -9.187 661 1HB ASN 90 2HB ASN 90 10.574 -15.103 -10.992 662 2HB ASN 90 1HB ASN 90 10.739 -16.695 -10.256 663 1HD2 ASN 90 1HD2 ASN 90 10.907 -13.383 -8.994 664 2HD2 ASN 90 2HD2 ASN 90 9.713 -13.609 -7.766 665 H THR 91 H THR 91 12.887 -17.581 -11.073 666 HA THR 91 HA THR 91 13.252 -19.273 -8.862 667 HB THR 91 HB THR 91 12.746 -20.310 -10.912 668 HG1 THR 91 1HG THR 91 14.286 -21.829 -10.994 669 1HG2 THR 91 1HG2 THR 91 14.959 -20.030 -12.585 670 2HG2 THR 91 2HG2 THR 91 14.550 -18.399 -12.054 671 3HG2 THR 91 3HG2 THR 91 13.330 -19.403 -12.838 672 H PHE 92 H PHE 92 15.370 -16.902 -10.126 673 HA PHE 92 HA PHE 92 17.647 -18.140 -8.738 674 1HB PHE 92 2HB PHE 92 17.689 -16.087 -10.965 675 2HB PHE 92 1HB PHE 92 19.104 -16.799 -10.206 676 HD1 PHE 92 2HD PHE 92 19.119 -19.458 -10.253 677 HD2 PHE 92 1HD PHE 92 16.984 -16.966 -12.962 678 HE1 PHE 92 2HE PHE 92 19.085 -21.284 -11.901 679 HE2 PHE 92 1HE PHE 92 16.945 -18.787 -14.615 680 HZ PHE 92 HZ PHE 92 17.997 -20.949 -14.085 681 H THR 93 H THR 93 17.604 -17.320 -6.720 682 HA THR 93 HA THR 93 16.993 -14.494 -6.316 683 HB THR 93 HB THR 93 17.433 -15.440 -3.817 684 HG1 THR 93 1HG THR 93 16.336 -17.635 -5.228 685 1HG2 THR 93 1HG2 THR 93 15.009 -15.308 -5.506 686 2HG2 THR 93 2HG2 THR 93 15.388 -14.489 -3.992 687 3HG2 THR 93 3HG2 THR 93 14.901 -16.184 -3.979 688 H VAL 94 H VAL 94 19.287 -16.489 -4.491 689 HA VAL 94 HA VAL 94 21.510 -14.807 -5.335 690 HB VAL 94 HB VAL 94 20.843 -15.090 -2.407 691 1HG1 VAL 94 1HG1 VAL 94 23.073 -14.736 -2.314 692 2HG1 VAL 94 2HG1 VAL 94 22.592 -13.058 -2.564 693 3HG1 VAL 94 3HG1 VAL 94 23.138 -14.032 -3.929 694 1HG2 VAL 94 1HG2 VAL 94 20.523 -12.703 -4.224 695 2HG2 VAL 94 2HG2 VAL 94 20.312 -12.695 -2.473 696 3HG2 VAL 94 3HG2 VAL 94 19.220 -13.637 -3.488 697 H GLU 95 H GLU 95 20.633 -17.263 -2.920 698 HA GLU 95 HA GLU 95 23.192 -18.540 -3.045 699 1HB GLU 95 2HB GLU 95 22.177 -20.220 -1.564 700 2HB GLU 95 1HB GLU 95 21.888 -18.585 -0.989 701 1HG GLU 95 2HG GLU 95 19.784 -19.614 -2.732 702 2HG GLU 95 1HG GLU 95 20.001 -20.534 -1.244 703 H GLN 96 H GLN 96 20.309 -18.736 -4.855 704 HA GLN 96 HA GLN 96 20.685 -21.445 -5.770 705 1HB GLN 96 2HB GLN 96 18.579 -19.514 -5.795 706 2HB GLN 96 1HB GLN 96 18.894 -20.000 -7.454 707 1HG GLN 96 2HG GLN 96 18.475 -21.984 -5.240 708 2HG GLN 96 1HG GLN 96 17.146 -21.315 -6.186 709 1HE2 GLN 96 1HE2 GLN 96 16.546 -23.186 -7.175 710 2HE2 GLN 96 2HE2 GLN 96 17.533 -24.026 -8.317 711 H LEU 97 H LEU 97 21.707 -18.303 -6.638 712 HA LEU 97 HA LEU 97 22.194 -18.846 -9.406 713 1HB LEU 97 2HB LEU 97 23.533 -16.725 -7.735 714 2HB LEU 97 1HB LEU 97 23.356 -16.764 -9.458 715 HG LEU 97 HG LEU 97 21.329 -15.784 -9.416 716 1HD1 LEU 97 1HD1 LEU 97 20.657 -16.960 -6.730 717 2HD1 LEU 97 2HD1 LEU 97 20.237 -17.712 -8.268 718 3HD1 LEU 97 3HD1 LEU 97 19.579 -16.135 -7.846 719 1HD2 LEU 97 1HD2 LEU 97 21.119 -14.255 -7.470 720 2HD2 LEU 97 2HD2 LEU 97 22.716 -14.280 -8.207 721 3HD2 LEU 97 3HD2 LEU 97 22.435 -15.137 -6.704 722 H LYS 98 H LYS 98 24.280 -18.295 -6.603 723 HA LYS 98 HA LYS 98 26.687 -19.093 -7.765 724 1HB LYS 98 2HB LYS 98 27.542 -19.287 -5.510 725 2HB LYS 98 1HB LYS 98 26.476 -17.893 -5.611 726 1HG LYS 98 2HG LYS 98 24.660 -19.479 -4.721 727 2HG LYS 98 1HG LYS 98 26.007 -20.523 -4.266 728 1HD LYS 98 2HD LYS 98 25.318 -19.072 -2.412 729 2HD LYS 98 1HD LYS 98 26.969 -18.728 -2.930 730 1HE LYS 98 2HE LYS 98 26.457 -16.630 -3.500 731 2HE LYS 98 1HE LYS 98 25.002 -17.135 -4.358 732 1HZ LYS 98 1HZ LYS 98 24.823 -17.272 -1.474 733 2HZ LYS 98 2HZ LYS 98 23.713 -16.673 -2.600 734 3HZ LYS 98 3HZ LYS 98 25.004 -15.708 -2.093 735 H ALA 99 H ALA 99 24.074 -21.025 -6.448 736 HA ALA 99 HA ALA 99 25.665 -23.436 -6.406 737 1HB ALA 99 1HB ALA 99 22.760 -22.932 -5.840 738 2HB ALA 99 2HB ALA 99 24.044 -23.260 -4.677 739 3HB ALA 99 3HB ALA 99 23.502 -24.531 -5.773 740 H GLN 100 H GLN 100 23.395 -21.924 -8.501 741 HA GLN 100 HA GLN 100 23.126 -24.274 -10.171 742 1HB GLN 100 2HB GLN 100 21.955 -21.530 -10.201 743 2HB GLN 100 1HB GLN 100 21.986 -22.441 -11.702 744 1HG GLN 100 2HG GLN 100 20.910 -23.722 -9.239 745 2HG GLN 100 1HG GLN 100 19.921 -22.557 -10.119 746 1HE2 GLN 100 1HE2 GLN 100 21.443 -25.677 -10.205 747 2HE2 GLN 100 2HE2 GLN 100 20.609 -26.274 -11.595 748 H LEU 101 H LEU 101 25.032 -21.381 -10.023 749 HA LEU 101 HA LEU 101 25.954 -21.433 -12.712 750 1HB LEU 101 2HB LEU 101 26.350 -19.817 -10.392 751 2HB LEU 101 1HB LEU 101 27.924 -20.281 -11.008 752 HG LEU 101 HG LEU 101 25.759 -18.799 -12.499 753 1HD1 LEU 101 1HD1 LEU 101 28.506 -17.761 -12.235 754 2HD1 LEU 101 2HD1 LEU 101 27.532 -17.784 -10.764 755 3HD1 LEU 101 3HD1 LEU 101 26.959 -16.915 -12.188 756 1HD2 LEU 101 1HD2 LEU 101 26.695 -19.309 -14.450 757 2HD2 LEU 101 2HD2 LEU 101 27.580 -20.577 -13.602 758 3HD2 LEU 101 3HD2 LEU 101 28.318 -18.993 -13.834 759 H THR 102 H THR 102 27.230 -22.636 -9.633 760 HA THR 102 HA THR 102 29.661 -23.655 -10.555 761 HB THR 102 HB THR 102 28.895 -25.434 -8.584 762 HG1 THR 102 1HG THR 102 27.839 -22.943 -7.800 763 1HG2 THR 102 1HG2 THR 102 30.954 -24.353 -8.388 764 2HG2 THR 102 2HG2 THR 102 30.007 -23.805 -7.004 765 3HG2 THR 102 3HG2 THR 102 30.212 -22.752 -8.406 766 H GLU 103 H GLU 103 26.472 -25.166 -10.340 767 HA GLU 103 HA GLU 103 27.385 -27.634 -11.454 768 1HB GLU 103 2HB GLU 103 25.185 -26.912 -10.013 769 2HB GLU 103 1HB GLU 103 24.506 -27.064 -11.628 770 1HG GLU 103 2HG GLU 103 24.254 -29.149 -10.506 771 2HG GLU 103 1HG GLU 103 25.475 -29.342 -11.763 772 H ARG 104 H ARG 104 26.862 -24.683 -12.804 773 HA ARG 104 HA ARG 104 26.180 -25.828 -15.428 774 1HB ARG 104 2HB ARG 104 24.624 -24.097 -14.346 775 2HB ARG 104 1HB ARG 104 25.888 -22.925 -14.691 776 1HG ARG 104 2HG ARG 104 25.734 -23.529 -17.085 777 2HG ARG 104 1HG ARG 104 24.385 -24.597 -16.693 778 1HD ARG 104 2HD ARG 104 23.592 -22.288 -15.506 779 2HD ARG 104 1HD ARG 104 24.487 -21.665 -16.892 780 HE ARG 104 HE ARG 104 22.891 -23.555 -17.985 781 1HH1 ARG 104 1HH1 ARG 104 22.275 -20.827 -15.899 782 2HH1 ARG 104 2HH1 ARG 104 20.680 -20.555 -16.515 783 1HH2 ARG 104 1HH2 ARG 104 20.793 -23.201 -18.797 784 2HH2 ARG 104 2HH2 ARG 104 19.837 -21.904 -18.161 785 H GLY 105 H GLY 105 28.870 -25.529 -14.093 786 1HA GLY 105 2HA GLY 105 30.927 -25.357 -15.262 787 2HA GLY 105 1HA GLY 105 30.169 -24.234 -16.378 788 H ILE 106 H ILE 106 29.001 -22.618 -14.246 789 HA ILE 106 HA ILE 106 29.533 -20.612 -13.301 790 HB ILE 106 HB ILE 106 29.753 -22.011 -11.384 791 1HG1 ILE 106 2HG1 ILE 106 32.187 -20.632 -10.727 792 2HG1 ILE 106 1HG1 ILE 106 31.160 -19.586 -11.704 793 1HG2 ILE 106 1HG2 ILE 106 31.948 -22.979 -10.723 794 2HG2 ILE 106 2HG2 ILE 106 32.555 -22.565 -12.324 795 3HG2 ILE 106 3HG2 ILE 106 31.228 -23.712 -12.155 796 1HD1 ILE 106 1HD1 ILE 106 29.988 -19.113 -9.897 797 2HD1 ILE 106 2HD1 ILE 106 30.937 -20.256 -8.947 798 3HD1 ILE 106 3HD1 ILE 106 29.492 -20.802 -9.796 799 H THR 107 H THR 107 30.377 -19.297 -14.864 800 HA THR 107 HA THR 107 33.314 -19.239 -15.077 801 HB THR 107 HB THR 107 32.234 -19.886 -17.191 802 HG1 THR 107 1HG THR 107 33.192 -18.237 -18.463 803 1HG2 THR 107 1HG2 THR 107 30.700 -18.627 -18.354 804 2HG2 THR 107 2HG2 THR 107 31.054 -17.160 -17.441 805 3HG2 THR 107 3HG2 THR 107 30.134 -18.465 -16.692 806 H PHE 108 H PHE 108 31.552 -17.899 -13.132 807 HA PHE 108 HA PHE 108 31.307 -15.157 -13.821 808 1HB PHE 108 2HB PHE 108 30.850 -14.802 -11.435 809 2HB PHE 108 1HB PHE 108 29.929 -16.157 -12.072 810 HD1 PHE 108 2HD PHE 108 33.141 -17.405 -11.788 811 HD2 PHE 108 1HD PHE 108 29.866 -16.168 -9.356 812 HE1 PHE 108 2HE PHE 108 33.975 -18.809 -9.955 813 HE2 PHE 108 1HE PHE 108 30.703 -17.574 -7.521 814 HZ PHE 108 HZ PHE 108 32.757 -18.896 -7.817 815 H LYS 109 H LYS 109 32.373 -13.574 -12.022 816 HA LYS 109 HA LYS 109 35.275 -14.021 -12.266 817 1HB LYS 109 2HB LYS 109 34.056 -12.052 -13.485 818 2HB LYS 109 1HB LYS 109 34.074 -11.301 -11.895 819 1HG LYS 109 2HG LYS 109 36.660 -12.390 -12.668 820 2HG LYS 109 1HG LYS 109 36.065 -11.153 -13.775 821 1HD LYS 109 2HD LYS 109 35.509 -9.987 -11.405 822 2HD LYS 109 1HD LYS 109 36.934 -10.929 -10.965 823 1HE LYS 109 2HE LYS 109 37.583 -9.771 -13.410 824 2HE LYS 109 1HE LYS 109 36.730 -8.504 -12.531 825 1HZ LYS 109 1HZ LYS 109 38.845 -10.039 -11.180 826 2HZ LYS 109 2HZ LYS 109 38.309 -8.462 -10.881 827 3HZ LYS 109 3HZ LYS 109 39.270 -8.785 -12.235 828 H GLN 110 H GLN 110 36.585 -12.858 -10.584 829 HA GLN 110 HA GLN 110 35.971 -13.778 -8.034 830 1HB GLN 110 2HB GLN 110 38.173 -12.699 -9.190 831 2HB GLN 110 1HB GLN 110 37.672 -11.363 -8.164 832 1HG GLN 110 2HG GLN 110 37.497 -13.609 -6.535 833 2HG GLN 110 1HG GLN 110 38.976 -13.837 -7.467 834 1HE2 GLN 110 1HE2 GLN 110 37.421 -12.084 -4.971 835 2HE2 GLN 110 2HE2 GLN 110 38.763 -11.094 -4.519 836 H SER 111 H SER 111 35.014 -10.859 -9.641 837 HA SER 111 HA SER 111 34.202 -9.513 -7.220 838 1HB SER 111 2HB SER 111 34.128 -8.880 -10.140 839 2HB SER 111 1HB SER 111 33.063 -7.990 -9.054 840 HG SER 111 HG SER 111 35.067 -7.627 -7.785 841 H ALA 112 H ALA 112 32.940 -12.091 -8.785 842 HA ALA 112 HA ALA 112 30.204 -11.440 -9.043 843 1HB ALA 112 1HB ALA 112 31.318 -13.414 -10.081 844 2HB ALA 112 2HB ALA 112 29.814 -13.794 -9.241 845 3HB ALA 112 3HB ALA 112 31.364 -14.164 -8.486 846 H THR 113 H THR 113 29.929 -10.209 -7.046 847 HA THR 113 HA THR 113 30.002 -11.577 -4.528 848 HB THR 113 HB THR 113 29.065 -9.514 -3.612 849 HG1 THR 113 1HG THR 113 28.820 -8.715 -6.322 850 1HG2 THR 113 1HG2 THR 113 30.744 -7.965 -5.173 851 2HG2 THR 113 2HG2 THR 113 31.445 -9.583 -5.227 852 3HG2 THR 113 3HG2 THR 113 31.153 -8.799 -3.674 853 H LYS 114 H LYS 114 27.203 -9.798 -5.793 854 HA LYS 114 HA LYS 114 25.581 -12.189 -5.600 855 1HB LYS 114 2HB LYS 114 23.954 -11.237 -4.091 856 2HB LYS 114 1HB LYS 114 25.539 -11.207 -3.332 857 1HG LYS 114 2HG LYS 114 24.917 -9.106 -2.816 858 2HG LYS 114 1HG LYS 114 25.545 -8.769 -4.431 859 1HD LYS 114 2HD LYS 114 23.440 -8.565 -5.353 860 2HD LYS 114 1HD LYS 114 22.687 -9.569 -4.112 861 1HE LYS 114 2HE LYS 114 22.102 -7.158 -3.949 862 2HE LYS 114 1HE LYS 114 22.859 -7.809 -2.496 863 1HZ LYS 114 1HZ LYS 114 24.957 -6.841 -3.197 864 2HZ LYS 114 2HZ LYS 114 23.765 -5.648 -3.077 865 3HZ LYS 114 3HZ LYS 114 24.235 -6.221 -4.597 866 H ALA 115 H ALA 115 25.739 -8.758 -6.381 867 HA ALA 115 HA ALA 115 23.336 -8.878 -7.964 868 1HB ALA 115 1HB ALA 115 25.258 -6.786 -7.164 869 2HB ALA 115 2HB ALA 115 23.497 -6.746 -7.224 870 3HB ALA 115 3HB ALA 115 24.435 -6.543 -8.704 871 H GLU 116 H GLU 116 26.712 -9.373 -8.436 872 HA GLU 116 HA GLU 116 26.575 -9.055 -11.314 873 1HB GLU 116 2HB GLU 116 28.855 -10.148 -9.664 874 2HB GLU 116 1HB GLU 116 28.931 -9.557 -11.318 875 1HG GLU 116 2HG GLU 116 28.231 -7.861 -8.935 876 2HG GLU 116 1HG GLU 116 29.842 -7.983 -9.641 877 H LEU 117 H LEU 117 26.723 -11.676 -8.964 878 HA LEU 117 HA LEU 117 26.906 -13.662 -11.052 879 1HB LEU 117 2HB LEU 117 27.372 -15.188 -9.443 880 2HB LEU 117 1HB LEU 117 27.861 -13.744 -8.607 881 HG LEU 117 HG LEU 117 25.514 -15.522 -8.088 882 1HD1 LEU 117 1HD1 LEU 117 27.432 -16.044 -6.833 883 2HD1 LEU 117 2HD1 LEU 117 26.403 -15.114 -5.745 884 3HD1 LEU 117 3HD1 LEU 117 27.789 -14.346 -6.517 885 1HD2 LEU 117 1HD2 LEU 117 24.952 -13.650 -6.363 886 2HD2 LEU 117 2HD2 LEU 117 24.306 -13.573 -7.995 887 3HD2 LEU 117 3HD2 LEU 117 25.704 -12.595 -7.558 888 H ILE 118 H ILE 118 24.400 -11.977 -9.475 889 HA ILE 118 HA ILE 118 22.410 -14.006 -10.037 890 HB ILE 118 HB ILE 118 22.206 -12.442 -8.074 891 1HG1 ILE 118 2HG1 ILE 118 20.303 -13.724 -9.194 892 2HG1 ILE 118 1HG1 ILE 118 19.852 -12.377 -8.156 893 1HG2 ILE 118 1HG2 ILE 118 21.304 -10.203 -8.429 894 2HG2 ILE 118 2HG2 ILE 118 21.514 -10.391 -10.167 895 3HG2 ILE 118 3HG2 ILE 118 22.923 -10.371 -9.102 896 1HD1 ILE 118 1HD1 ILE 118 19.182 -12.839 -10.871 897 2HD1 ILE 118 2HD1 ILE 118 20.146 -11.365 -10.780 898 3HD1 ILE 118 3HD1 ILE 118 18.678 -11.520 -9.816 899 H ALA 119 H ALA 119 23.831 -11.220 -11.553 900 HA ALA 119 HA ALA 119 21.737 -10.979 -13.550 901 1HB ALA 119 1HB ALA 119 23.605 -9.221 -12.497 902 2HB ALA 119 2HB ALA 119 22.549 -8.929 -13.879 903 3HB ALA 119 3HB ALA 119 24.184 -9.537 -14.132 904 H LEU 120 H LEU 120 24.966 -12.286 -13.202 905 HA LEU 120 HA LEU 120 25.691 -12.698 -15.834 906 1HB LEU 120 2HB LEU 120 26.788 -13.310 -13.448 907 2HB LEU 120 1HB LEU 120 26.278 -14.908 -13.960 908 HG LEU 120 HG LEU 120 27.641 -13.558 -16.117 909 1HD1 LEU 120 1HD1 LEU 120 29.808 -13.283 -15.203 910 2HD1 LEU 120 2HD1 LEU 120 29.315 -13.962 -13.651 911 3HD1 LEU 120 3HD1 LEU 120 28.703 -12.389 -14.160 912 1HD2 LEU 120 1HD2 LEU 120 27.774 -16.119 -14.626 913 2HD2 LEU 120 2HD2 LEU 120 29.190 -15.640 -15.561 914 3HD2 LEU 120 3HD2 LEU 120 27.628 -15.821 -16.358 915 H PHE 121 H PHE 121 23.620 -14.698 -13.767 916 HA PHE 121 HA PHE 121 23.322 -16.939 -15.319 917 1HB PHE 121 2HB PHE 121 21.625 -15.523 -13.364 918 2HB PHE 121 1HB PHE 121 20.774 -16.634 -14.435 919 HD1 PHE 121 2HD PHE 121 23.643 -16.411 -12.099 920 HD2 PHE 121 1HD PHE 121 20.800 -18.920 -14.025 921 HE1 PHE 121 2HE PHE 121 24.378 -18.299 -10.714 922 HE2 PHE 121 1HE PHE 121 21.529 -20.815 -12.645 923 HZ PHE 121 HZ PHE 121 23.326 -20.507 -10.988 924 H ALA 122 H ALA 122 21.171 -14.090 -15.506 925 HA ALA 122 HA ALA 122 19.924 -13.241 -17.209 926 1HB ALA 122 1HB ALA 122 22.271 -14.408 -18.568 927 2HB ALA 122 2HB ALA 122 21.622 -12.769 -18.625 928 3HB ALA 122 3HB ALA 122 20.876 -14.047 -19.584 929 HA PRO 123 HA PRO 123 16.728 -16.020 -18.389 930 1HB PRO 123 2HB PRO 123 16.898 -15.021 -21.186 931 2HB PRO 123 1HB PRO 123 15.511 -15.078 -20.092 932 1HG PRO 123 2HG PRO 123 16.739 -12.773 -20.611 933 2HG PRO 123 1HG PRO 123 16.137 -13.140 -18.984 934 1HD PRO 123 2HD PRO 123 18.934 -13.209 -20.035 935 2HD PRO 123 1HD PRO 123 18.338 -12.694 -18.443 936 H ALA 124 H ALA 124 16.143 -17.811 -19.862 937 HA ALA 124 HA ALA 124 18.016 -18.858 -21.723 938 1HB ALA 124 1HB ALA 124 17.903 -20.774 -19.512 939 2HB ALA 124 2HB ALA 124 18.803 -19.302 -19.146 940 3HB ALA 124 3HB ALA 124 19.259 -20.293 -20.531 941 H ASP 125 H ASP 125 17.064 -20.363 -23.001 942 HA ASP 125 HA ASP 125 14.365 -21.229 -22.222 943 1HB ASP 125 2HB ASP 125 14.706 -19.811 -24.314 944 2HB ASP 125 1HB ASP 125 15.485 -21.223 -25.023 945 H GLY 126 H GLY 126 16.901 -22.470 -24.411 946 1HA GLY 126 2HA GLY 126 16.793 -25.038 -23.008 947 2HA GLY 126 1HA GLY 126 16.384 -25.025 -24.716 948 H GLU 127 H GLU 127 18.077 -26.245 -25.442 949 HA GLU 127 HA GLU 127 20.742 -25.021 -25.163 950 1HB GLU 127 2HB GLU 127 20.584 -27.103 -23.848 951 2HB GLU 127 1HB GLU 127 20.121 -27.977 -25.302 952 1HG GLU 127 2HG GLU 127 22.634 -26.458 -25.475 953 2HG GLU 127 1HG GLU 127 22.637 -27.826 -24.363 954 H LYS 128 H LYS 128 22.144 -25.219 -26.961 955 HA LYS 128 HA LYS 128 21.367 -26.479 -29.387 956 1HB LYS 128 2HB LYS 128 19.951 -24.243 -29.084 957 2HB LYS 128 1HB LYS 128 21.416 -23.522 -29.734 958 1HG LYS 128 2HG LYS 128 20.222 -25.858 -31.138 959 2HG LYS 128 1HG LYS 128 19.463 -24.273 -31.307 960 1HD LYS 128 2HD LYS 128 20.971 -23.759 -32.859 961 2HD LYS 128 1HD LYS 128 22.233 -23.873 -31.631 962 1HE LYS 128 2HE LYS 128 22.795 -25.303 -33.488 963 2HE LYS 128 1HE LYS 128 22.405 -26.295 -32.084 964 1HZ LYS 128 1HZ LYS 128 20.194 -25.694 -33.870 965 2HZ LYS 128 2HZ LYS 128 20.581 -27.134 -33.073 966 3HZ LYS 128 3HZ LYS 128 21.388 -26.714 -34.499 967 H SER 129 H SER 129 23.225 -23.794 -27.995 968 HA SER 129 HA SER 129 25.535 -24.669 -29.604 969 1HB SER 129 2HB SER 129 24.372 -22.181 -29.629 970 2HB SER 129 1HB SER 129 25.677 -21.964 -28.463 971 HG SER 129 HG SER 129 25.796 -22.543 -31.192 972 H GLU 130 H GLU 130 24.451 -23.507 -26.454 973 HA GLU 130 HA GLU 130 26.755 -24.833 -25.233 974 1HB GLU 130 2HB GLU 130 26.819 -22.144 -25.552 975 2HB GLU 130 1HB GLU 130 26.006 -22.254 -23.996 976 1HG GLU 130 2HG GLU 130 28.105 -22.239 -23.208 977 2HG GLU 130 1HG GLU 130 28.030 -23.962 -23.571 978 H ALA 131 H ALA 131 25.777 -26.364 -24.069 979 HA ALA 131 HA ALA 131 23.175 -26.258 -23.050 980 1HB ALA 131 1HB ALA 131 23.603 -28.408 -22.709 981 2HB ALA 131 2HB ALA 131 24.750 -27.999 -21.434 982 3HB ALA 131 3HB ALA 131 25.298 -28.125 -23.106
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