NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10907 | 1qlk | 4702 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 0 HT2 MET 0 18.059 -6.875 -4.307 2 2H MET 0 HT1 MET 0 16.950 -6.429 -5.514 3 3H MET 0 HT3 MET 0 18.613 -6.227 -5.777 4 HA MET 0 HA MET 0 18.739 -4.550 -4.072 5 1HB MET 0 HB2 MET 0 17.209 -2.856 -5.147 6 2HB MET 0 HB1 MET 0 18.226 -3.732 -6.288 7 1HG MET 0 HG2 MET 0 15.491 -4.825 -5.667 8 2HG MET 0 HG1 MET 0 15.633 -3.448 -6.755 9 1HE MET 0 HE2 MET 0 14.657 -4.502 -8.682 10 2HE MET 0 HE1 MET 0 16.110 -3.707 -9.283 11 3HE MET 0 HE3 MET 0 15.664 -5.311 -9.880 12 H SER 1 HN SER 1 16.502 -2.818 -3.513 13 HA SER 1 HA SER 1 15.508 -4.101 -1.126 14 1HB SER 1 HB2 SER 1 15.806 -1.697 -1.147 15 2HB SER 1 HB1 SER 1 14.690 -1.525 -2.497 16 HG SER 1 HG SER 1 13.132 -1.533 -1.099 17 H GLU 2 HN GLU 2 13.669 -5.238 -0.831 18 HA GLU 2 HA GLU 2 12.172 -6.270 -3.011 19 1HB GLU 2 HB2 GLU 2 12.390 -7.218 -0.634 20 2HB GLU 2 HB1 GLU 2 11.135 -6.069 -0.175 21 1HG GLU 2 HG2 GLU 2 10.796 -8.037 -2.455 22 2HG GLU 2 HG1 GLU 2 10.307 -8.394 -0.800 23 H LEU 3 HN LEU 3 11.583 -3.508 -0.895 24 HA LEU 3 HA LEU 3 8.897 -2.977 -1.622 25 1HB LEU 3 HB2 LEU 3 11.172 -1.237 -0.683 26 2HB LEU 3 HB1 LEU 3 9.613 -0.525 -1.081 27 HG LEU 3 HG LEU 3 9.952 -1.135 1.366 28 1HD1 LEU 3 HD11 LEU 3 7.673 -1.002 0.028 29 2HD1 LEU 3 HD13 LEU 3 7.640 -2.743 0.307 30 3HD1 LEU 3 HD12 LEU 3 7.703 -1.633 1.670 31 1HD2 LEU 3 HD23 LEU 3 11.138 -3.303 0.831 32 2HD2 LEU 3 HD22 LEU 3 9.851 -3.445 2.026 33 3HD2 LEU 3 HD21 LEU 3 9.571 -3.973 0.370 34 H GLU 4 HN GLU 4 11.934 -2.024 -3.229 35 HA GLU 4 HA GLU 4 10.756 -0.266 -5.132 36 1HB GLU 4 HB2 GLU 4 13.188 -2.066 -5.311 37 2HB GLU 4 HB1 GLU 4 12.758 -0.892 -6.557 38 1HG GLU 4 HG2 GLU 4 13.103 -0.134 -3.648 39 2HG GLU 4 HG1 GLU 4 14.428 -0.076 -4.811 40 H LYS 5 HN LYS 5 11.186 -3.811 -5.188 41 HA LYS 5 HA LYS 5 10.122 -4.114 -7.861 42 1HB LYS 5 HB2 LYS 5 11.505 -5.869 -6.811 43 2HB LYS 5 HB1 LYS 5 10.246 -6.129 -5.602 44 1HG LYS 5 HG2 LYS 5 8.681 -6.887 -7.263 45 2HG LYS 5 HG1 LYS 5 9.735 -6.376 -8.577 46 1HD LYS 5 HD2 LYS 5 10.039 -8.726 -8.437 47 2HD LYS 5 HD1 LYS 5 11.451 -8.047 -7.630 48 1HE LYS 5 HE2 LYS 5 10.447 -8.432 -5.445 49 2HE LYS 5 HE1 LYS 5 8.941 -8.963 -6.195 50 1HZ LYS 5 HZ3 LYS 5 10.196 -10.773 -7.252 51 2HZ LYS 5 HZ2 LYS 5 11.591 -10.287 -6.412 52 3HZ LYS 5 HZ1 LYS 5 10.239 -10.863 -5.559 53 H ALA 6 HN ALA 6 8.688 -4.264 -4.615 54 HA ALA 6 HA ALA 6 6.078 -5.082 -5.527 55 1HB ALA 6 HB3 ALA 6 7.072 -5.167 -3.133 56 2HB ALA 6 HB2 ALA 6 6.563 -3.484 -3.012 57 3HB ALA 6 HB1 ALA 6 5.367 -4.748 -3.303 58 H MET 7 HN MET 7 7.529 -1.900 -4.854 59 HA MET 7 HA MET 7 5.144 -0.372 -5.209 60 1HB MET 7 HB2 MET 7 8.053 0.327 -5.730 61 2HB MET 7 HB1 MET 7 6.736 1.503 -5.761 62 1HG MET 7 HG2 MET 7 7.141 -0.277 -3.358 63 2HG MET 7 HG1 MET 7 8.064 1.214 -3.542 64 1HE MET 7 HE2 MET 7 7.416 2.962 -2.124 65 2HE MET 7 HE1 MET 7 5.863 3.091 -1.307 66 3HE MET 7 HE3 MET 7 6.854 1.644 -1.099 67 H VAL 8 HN VAL 8 7.585 -1.535 -7.502 68 HA VAL 8 HA VAL 8 6.422 -0.238 -9.806 69 HB VAL 8 HB VAL 8 8.273 -2.625 -9.541 70 1HG1 VAL 8 HG11 VAL 8 7.305 -1.117 -11.982 71 2HG1 VAL 8 HG13 VAL 8 8.756 -2.119 -11.986 72 3HG1 VAL 8 HG12 VAL 8 7.183 -2.849 -11.669 73 1HG2 VAL 8 HG21 VAL 8 9.001 -0.258 -8.818 74 2HG2 VAL 8 HG23 VAL 8 10.030 -1.093 -9.979 75 3HG2 VAL 8 HG22 VAL 8 8.916 0.159 -10.529 76 H ALA 9 HN ALA 9 6.117 -3.496 -8.391 77 HA ALA 9 HA ALA 9 4.427 -4.545 -10.458 78 1HB ALA 9 HB2 ALA 9 5.693 -5.839 -8.631 79 2HB ALA 9 HB1 ALA 9 4.342 -5.435 -7.573 80 3HB ALA 9 HB3 ALA 9 4.068 -6.400 -9.024 81 H LEU 10 HN LEU 10 3.670 -2.963 -7.350 82 HA LEU 10 HA LEU 10 0.852 -3.319 -7.478 83 1HB LEU 10 HB2 LEU 10 2.036 -2.509 -5.458 84 2HB LEU 10 HB1 LEU 10 2.436 -1.012 -6.293 85 HG LEU 10 HG LEU 10 0.003 -0.522 -6.531 86 1HD1 LEU 10 HD11 LEU 10 -0.200 -3.173 -5.107 87 2HD1 LEU 10 HD13 LEU 10 -1.459 -1.956 -4.895 88 3HD1 LEU 10 HD12 LEU 10 -1.112 -2.588 -6.499 89 1HD2 LEU 10 HD22 LEU 10 1.419 0.233 -4.562 90 2HD2 LEU 10 HD21 LEU 10 -0.314 0.166 -4.248 91 3HD2 LEU 10 HD23 LEU 10 0.740 -1.116 -3.652 92 H ILE 11 HN ILE 11 2.862 -0.578 -8.595 93 HA ILE 11 HA ILE 11 0.647 0.830 -9.800 94 HB ILE 11 HB ILE 11 3.626 1.029 -10.320 95 1HG1 ILE 11 HG12 ILE 11 1.832 2.786 -8.618 96 2HG1 ILE 11 HG11 ILE 11 2.801 1.471 -7.961 97 1HG2 ILE 11 HG21 ILE 11 1.271 2.738 -11.139 98 2HG2 ILE 11 HG23 ILE 11 2.916 3.372 -11.082 99 3HG2 ILE 11 HG22 ILE 11 2.520 2.041 -12.171 100 1HD1 ILE 11 HD11 ILE 11 4.397 3.244 -9.672 101 2HD1 ILE 11 HD13 ILE 11 3.646 4.103 -8.328 102 3HD1 ILE 11 HD12 ILE 11 4.688 2.717 -8.017 103 H ASP 12 HN ASP 12 3.115 -1.384 -11.076 104 HA ASP 12 HA ASP 12 2.501 -1.107 -13.830 105 1HB ASP 12 HB2 ASP 12 4.500 -2.279 -12.985 106 2HB ASP 12 HB1 ASP 12 3.474 -3.567 -12.354 107 H VAL 13 HN VAL 13 1.202 -3.457 -11.464 108 HA VAL 13 HA VAL 13 -0.470 -4.842 -13.295 109 HB VAL 13 HB VAL 13 -0.731 -4.371 -10.313 110 1HG1 VAL 13 HG12 VAL 13 -2.438 -5.956 -12.234 111 2HG1 VAL 13 HG11 VAL 13 -2.255 -6.489 -10.568 112 3HG1 VAL 13 HG13 VAL 13 -2.943 -4.904 -10.912 113 1HG2 VAL 13 HG21 VAL 13 1.218 -5.702 -11.310 114 2HG2 VAL 13 HG23 VAL 13 0.241 -6.545 -10.108 115 3HG2 VAL 13 HG22 VAL 13 0.016 -6.884 -11.826 116 H PHE 14 HN PHE 14 -1.139 -1.967 -11.301 117 HA PHE 14 HA PHE 14 -3.897 -1.726 -11.939 118 1HB PHE 14 HB2 PHE 14 -2.810 -0.409 -10.171 119 2HB PHE 14 HB1 PHE 14 -1.877 0.466 -11.385 120 HD1 PHE 14 HD2 PHE 14 -5.226 -0.031 -9.920 121 HD2 PHE 14 HD1 PHE 14 -2.929 2.081 -12.872 122 HE1 PHE 14 HE2 PHE 14 -7.102 1.560 -10.244 123 HE2 PHE 14 HE1 PHE 14 -4.804 3.671 -13.194 124 HZ PHE 14 HZ PHE 14 -6.890 3.410 -11.880 125 H HIS 15 HN HIS 15 -1.047 -0.354 -13.606 126 HA HIS 15 HA HIS 15 -2.539 1.093 -15.563 127 1HB HIS 15 HB2 HIS 15 -0.029 1.253 -15.008 128 2HB HIS 15 HB1 HIS 15 0.175 -0.148 -16.059 129 HD1 HIS 15 HD1 HIS 15 -1.615 0.421 -18.387 130 HD2 HIS 15 HD2 HIS 15 0.635 3.429 -16.572 131 HE1 HIS 15 HE1 HIS 15 -1.385 2.277 -20.098 132 HE2 HIS 15 HE2 HIS 15 -0.019 4.113 -19.003 133 H GLN 16 HN GLN 16 -0.976 -2.116 -15.809 134 HA GLN 16 HA GLN 16 -2.023 -2.650 -18.436 135 1HB GLN 16 HB2 GLN 16 -0.875 -4.445 -16.286 136 2HB GLN 16 HB1 GLN 16 -1.325 -5.020 -17.891 137 1HG GLN 16 HG2 GLN 16 0.227 -3.399 -18.916 138 2HG GLN 16 HG1 GLN 16 0.673 -2.812 -17.314 139 1HE2 GLN 16 HE22 GLN 16 1.654 -6.755 -17.695 140 2HE2 GLN 16 HE21 GLN 16 0.042 -6.248 -17.871 141 H TYR 17 HN TYR 17 -3.143 -3.566 -15.177 142 HA TYR 17 HA TYR 17 -5.246 -5.300 -16.115 143 1HB TYR 17 HB2 TYR 17 -4.215 -5.199 -13.773 144 2HB TYR 17 HB1 TYR 17 -5.249 -3.799 -13.492 145 HD1 TYR 17 HD2 TYR 17 -7.758 -4.044 -13.723 146 HD2 TYR 17 HD1 TYR 17 -5.090 -7.410 -13.726 147 HE1 TYR 17 HE2 TYR 17 -9.661 -5.556 -13.227 148 HE2 TYR 17 HE1 TYR 17 -6.992 -8.921 -13.230 149 HH TYR 17 HH TYR 17 -9.272 -9.058 -13.211 150 H SER 18 HN SER 18 -5.224 -1.882 -15.107 151 HA SER 18 HA SER 18 -8.075 -1.556 -15.547 152 1HB SER 18 HB2 SER 18 -7.717 0.748 -15.040 153 2HB SER 18 HB1 SER 18 -6.607 -0.151 -14.006 154 HG SER 18 HG SER 18 -4.974 0.259 -15.545 155 H GLY 19 HN GLY 19 -5.289 -1.484 -17.595 156 1HA GLY 19 HA2 GLY 19 -6.448 0.241 -19.631 157 2HA GLY 19 HA1 GLY 19 -4.998 -0.739 -19.814 158 H ARG 20 HN ARG 20 -7.263 -2.865 -18.709 159 HA ARG 20 HA ARG 20 -7.483 -4.247 -21.190 160 1HB ARG 20 HB2 ARG 20 -7.891 -5.237 -18.896 161 2HB ARG 20 HB1 ARG 20 -9.457 -4.426 -18.901 162 1HG ARG 20 HG2 ARG 20 -10.014 -5.603 -21.036 163 2HG ARG 20 HG1 ARG 20 -8.492 -6.484 -20.907 164 1HD ARG 20 HD2 ARG 20 -10.196 -7.901 -19.983 165 2HD ARG 20 HD1 ARG 20 -9.264 -7.269 -18.624 166 HE ARG 20 HE ARG 20 -11.316 -5.449 -18.863 167 1HH1 ARG 20 HH21 ARG 20 -11.076 -8.882 -18.678 168 2HH1 ARG 20 HH22 ARG 20 -12.587 -9.077 -17.853 169 1HH2 ARG 20 HH11 ARG 20 -13.296 -5.684 -17.799 170 2HH2 ARG 20 HH12 ARG 20 -13.849 -7.267 -17.367 171 H GLU 21 HN GLU 21 -9.724 -1.995 -19.581 172 HA GLU 21 HA GLU 21 -11.499 -2.074 -21.980 173 1HB GLU 21 HB2 GLU 21 -12.056 -0.550 -19.430 174 2HB GLU 21 HB1 GLU 21 -13.198 -1.161 -20.625 175 1HG GLU 21 HG2 GLU 21 -13.477 -2.844 -19.069 176 2HG GLU 21 HG1 GLU 21 -12.066 -3.519 -19.879 177 H GLY 22 HN GLY 22 -12.333 0.082 -22.720 178 1HA GLY 22 HA2 GLY 22 -10.245 1.813 -23.508 179 2HA GLY 22 HA1 GLY 22 -11.953 2.252 -23.523 180 H ASP 23 HN ASP 23 -11.843 1.570 -20.467 181 HA ASP 23 HA ASP 23 -11.241 4.340 -19.653 182 1HB ASP 23 HB2 ASP 23 -12.295 1.927 -18.145 183 2HB ASP 23 HB1 ASP 23 -12.012 3.496 -17.394 184 H LYS 24 HN LYS 24 -9.057 4.697 -19.507 185 HA LYS 24 HA LYS 24 -7.362 2.668 -18.093 186 1HB LYS 24 HB2 LYS 24 -5.462 3.833 -19.167 187 2HB LYS 24 HB1 LYS 24 -6.620 3.242 -20.357 188 1HG LYS 24 HG2 LYS 24 -7.687 5.569 -20.266 189 2HG LYS 24 HG1 LYS 24 -6.266 6.078 -19.360 190 1HD LYS 24 HD2 LYS 24 -5.581 6.595 -21.525 191 2HD LYS 24 HD1 LYS 24 -4.955 4.955 -21.383 192 1HE LYS 24 HE2 LYS 24 -6.102 5.084 -23.494 193 2HE LYS 24 HE1 LYS 24 -7.138 4.151 -22.418 194 1HZ LYS 24 HZ1 LYS 24 -7.716 6.885 -22.118 195 2HZ LYS 24 HZ3 LYS 24 -7.757 6.501 -23.770 196 3HZ LYS 24 HZ2 LYS 24 -8.730 5.641 -22.674 197 H HIS 25 HN HIS 25 -8.736 5.821 -17.775 198 HA HIS 25 HA HIS 25 -6.745 6.609 -15.703 199 1HB HIS 25 HB2 HIS 25 -7.493 8.202 -17.529 200 2HB HIS 25 HB1 HIS 25 -9.070 8.237 -16.740 201 HD1 HIS 25 HD1 HIS 25 -6.122 7.900 -14.522 202 HD2 HIS 25 HD2 HIS 25 -8.502 10.995 -15.988 203 HE1 HIS 25 HE1 HIS 25 -5.593 9.938 -13.113 204 HE2 HIS 25 HE2 HIS 25 -7.038 11.828 -13.995 205 H LYS 26 HN LYS 26 -9.757 5.031 -15.806 206 HA LYS 26 HA LYS 26 -10.054 5.475 -12.892 207 1HB LYS 26 HB2 LYS 26 -12.549 5.884 -13.215 208 2HB LYS 26 HB1 LYS 26 -11.485 7.220 -13.645 209 1HG LYS 26 HG2 LYS 26 -11.606 6.568 -16.016 210 2HG LYS 26 HG1 LYS 26 -12.657 5.214 -15.595 211 1HD LYS 26 HD2 LYS 26 -14.398 6.678 -14.848 212 2HD LYS 26 HD1 LYS 26 -13.332 8.082 -14.904 213 1HE LYS 26 HE2 LYS 26 -13.186 7.918 -17.335 214 2HE LYS 26 HE1 LYS 26 -14.157 6.447 -17.320 215 1HZ LYS 26 HZ1 LYS 26 -15.293 8.772 -15.987 216 2HZ LYS 26 HZ3 LYS 26 -15.195 8.853 -17.679 217 3HZ LYS 26 HZ2 LYS 26 -16.048 7.584 -16.938 218 H LEU 27 HN LEU 27 -11.547 3.942 -11.898 219 HA LEU 27 HA LEU 27 -11.673 1.372 -13.425 220 1HB LEU 27 HB2 LEU 27 -10.538 1.924 -10.971 221 2HB LEU 27 HB1 LEU 27 -12.127 1.361 -10.480 222 HG LEU 27 HG LEU 27 -11.673 -0.630 -12.121 223 1HD1 LEU 27 HD13 LEU 27 -8.866 0.405 -11.597 224 2HD1 LEU 27 HD12 LEU 27 -9.244 -1.170 -12.291 225 3HD1 LEU 27 HD11 LEU 27 -9.653 0.299 -13.170 226 1HD2 LEU 27 HD23 LEU 27 -10.299 -0.212 -9.455 227 2HD2 LEU 27 HD22 LEU 27 -11.817 -1.052 -9.767 228 3HD2 LEU 27 HD21 LEU 27 -10.292 -1.771 -10.281 229 H LYS 28 HN LYS 28 -13.656 0.424 -13.788 230 HA LYS 28 HA LYS 28 -16.053 1.962 -12.951 231 1HB LYS 28 HB2 LYS 28 -15.612 -0.227 -14.997 232 2HB LYS 28 HB1 LYS 28 -17.213 0.385 -14.589 233 1HG LYS 28 HG2 LYS 28 -15.011 2.291 -15.387 234 2HG LYS 28 HG1 LYS 28 -15.943 1.442 -16.617 235 1HD LYS 28 HD2 LYS 28 -18.045 2.336 -15.578 236 2HD LYS 28 HD1 LYS 28 -17.057 3.281 -14.468 237 1HE LYS 28 HE2 LYS 28 -16.808 3.479 -17.473 238 2HE LYS 28 HE1 LYS 28 -17.836 4.540 -16.512 239 1HZ LYS 28 HZ2 LYS 28 -15.338 4.432 -15.283 240 2HZ LYS 28 HZ1 LYS 28 -15.069 4.714 -16.938 241 3HZ LYS 28 HZ3 LYS 28 -16.067 5.760 -16.050 242 H LYS 29 HN LYS 29 -18.010 0.687 -12.354 243 HA LYS 29 HA LYS 29 -17.562 -0.797 -9.977 244 1HB LYS 29 HB2 LYS 29 -20.015 -0.820 -11.758 245 2HB LYS 29 HB1 LYS 29 -19.962 -1.276 -10.055 246 1HG LYS 29 HG2 LYS 29 -19.166 1.045 -9.522 247 2HG LYS 29 HG1 LYS 29 -19.418 1.470 -11.216 248 1HD LYS 29 HD2 LYS 29 -21.840 0.482 -10.800 249 2HD LYS 29 HD1 LYS 29 -21.458 0.795 -9.106 250 1HE LYS 29 HE2 LYS 29 -22.500 2.786 -9.815 251 2HE LYS 29 HE1 LYS 29 -20.783 3.165 -9.919 252 1HZ LYS 29 HZ2 LYS 29 -21.481 1.983 -12.321 253 2HZ LYS 29 HZ1 LYS 29 -22.711 3.105 -11.982 254 3HZ LYS 29 HZ3 LYS 29 -21.093 3.615 -12.051 255 H SER 30 HN SER 30 -18.316 -1.939 -13.282 256 HA SER 30 HA SER 30 -18.594 -4.700 -12.549 257 1HB SER 30 HB2 SER 30 -18.506 -5.162 -14.907 258 2HB SER 30 HB1 SER 30 -19.366 -3.636 -14.710 259 HG SER 30 HG SER 30 -17.872 -3.208 -16.230 260 H GLU 31 HN GLU 31 -15.797 -2.811 -13.666 261 HA GLU 31 HA GLU 31 -14.009 -5.019 -13.908 262 1HB GLU 31 HB2 GLU 31 -13.557 -2.706 -14.766 263 2HB GLU 31 HB1 GLU 31 -13.286 -2.191 -13.100 264 1HG GLU 31 HG2 GLU 31 -11.419 -3.682 -12.850 265 2HG GLU 31 HG1 GLU 31 -11.778 -4.483 -14.380 266 H LEU 32 HN LEU 32 -14.956 -3.042 -11.128 267 HA LEU 32 HA LEU 32 -12.984 -3.957 -9.303 268 1HB LEU 32 HB2 LEU 32 -14.493 -2.063 -8.823 269 2HB LEU 32 HB1 LEU 32 -15.865 -3.166 -8.759 270 HG LEU 32 HG LEU 32 -14.866 -4.327 -6.831 271 1HD1 LEU 32 HD11 LEU 32 -12.581 -2.450 -7.412 272 2HD1 LEU 32 HD13 LEU 32 -12.856 -3.002 -5.758 273 3HD1 LEU 32 HD12 LEU 32 -12.541 -4.173 -7.035 274 1HD2 LEU 32 HD21 LEU 32 -16.283 -2.186 -6.623 275 2HD2 LEU 32 HD23 LEU 32 -15.317 -2.633 -5.217 276 3HD2 LEU 32 HD22 LEU 32 -14.765 -1.351 -6.293 277 H LYS 33 HN LYS 33 -16.195 -5.333 -10.090 278 HA LYS 33 HA LYS 33 -16.119 -7.456 -8.180 279 1HB LYS 33 HB2 LYS 33 -18.150 -6.862 -9.481 280 2HB LYS 33 HB1 LYS 33 -17.374 -7.462 -10.946 281 1HG LYS 33 HG2 LYS 33 -17.232 -9.712 -10.006 282 2HG LYS 33 HG1 LYS 33 -17.856 -9.137 -8.462 283 1HD LYS 33 HD2 LYS 33 -19.778 -10.038 -9.437 284 2HD LYS 33 HD1 LYS 33 -19.919 -8.343 -9.892 285 1HE LYS 33 HE2 LYS 33 -20.330 -9.504 -11.908 286 2HE LYS 33 HE1 LYS 33 -18.637 -9.040 -12.047 287 1HZ LYS 33 HZ1 LYS 33 -19.099 -11.557 -10.707 288 2HZ LYS 33 HZ3 LYS 33 -19.548 -11.540 -12.342 289 3HZ LYS 33 HZ2 LYS 33 -17.955 -11.151 -11.895 290 H GLU 34 HN GLU 34 -14.900 -7.257 -11.515 291 HA GLU 34 HA GLU 34 -14.040 -9.965 -11.746 292 1HB GLU 34 HB2 GLU 34 -13.033 -7.426 -13.045 293 2HB GLU 34 HB1 GLU 34 -12.455 -9.033 -13.485 294 1HG GLU 34 HG2 GLU 34 -14.768 -9.713 -14.039 295 2HG GLU 34 HG1 GLU 34 -15.337 -8.097 -13.609 296 H LEU 35 HN LEU 35 -12.376 -7.087 -10.496 297 HA LEU 35 HA LEU 35 -9.801 -8.243 -10.209 298 1HB LEU 35 HB2 LEU 35 -10.289 -5.819 -9.948 299 2HB LEU 35 HB1 LEU 35 -11.142 -6.164 -8.449 300 HG LEU 35 HG LEU 35 -8.997 -7.171 -7.552 301 1HD1 LEU 35 HD13 LEU 35 -8.015 -6.139 -10.215 302 2HD1 LEU 35 HD12 LEU 35 -6.924 -6.214 -8.833 303 3HD1 LEU 35 HD11 LEU 35 -7.681 -7.684 -9.435 304 1HD2 LEU 35 HD21 LEU 35 -8.954 -4.266 -8.421 305 2HD2 LEU 35 HD23 LEU 35 -9.707 -4.902 -6.958 306 3HD2 LEU 35 HD22 LEU 35 -7.957 -4.959 -7.143 307 H ILE 36 HN ILE 36 -12.488 -8.055 -7.857 308 HA ILE 36 HA ILE 36 -11.142 -9.552 -5.811 309 HB ILE 36 HB ILE 36 -14.116 -9.229 -6.330 310 1HG1 ILE 36 HG12 ILE 36 -12.345 -7.736 -4.375 311 2HG1 ILE 36 HG11 ILE 36 -12.700 -7.126 -5.991 312 1HG2 ILE 36 HG23 ILE 36 -12.516 -10.247 -3.971 313 2HG2 ILE 36 HG22 ILE 36 -14.174 -9.668 -3.805 314 3HG2 ILE 36 HG21 ILE 36 -13.827 -11.064 -4.823 315 1HD1 ILE 36 HD11 ILE 36 -14.932 -7.951 -4.133 316 2HD1 ILE 36 HD13 ILE 36 -14.215 -6.342 -4.032 317 3HD1 ILE 36 HD12 ILE 36 -14.995 -6.866 -5.523 318 H ASN 37 HN ASN 37 -13.290 -10.494 -8.468 319 HA ASN 37 HA ASN 37 -13.474 -13.264 -7.721 320 1HB ASN 37 HB2 ASN 37 -15.029 -12.040 -9.290 321 2HB ASN 37 HB1 ASN 37 -13.751 -12.106 -10.504 322 1HD2 ASN 37 HD22 ASN 37 -14.469 -15.932 -9.496 323 2HD2 ASN 37 HD21 ASN 37 -13.641 -14.858 -8.479 324 H ASN 38 HN ASN 38 -11.017 -11.435 -9.405 325 HA ASN 38 HA ASN 38 -9.822 -13.364 -11.026 326 1HB ASN 38 HB2 ASN 38 -9.063 -10.937 -10.572 327 2HB ASN 38 HB1 ASN 38 -8.154 -11.609 -9.217 328 1HD2 ASN 38 HD22 ASN 38 -5.863 -13.407 -11.343 329 2HD2 ASN 38 HD21 ASN 38 -6.626 -13.483 -9.829 330 H GLU 39 HN GLU 39 -8.388 -12.743 -7.799 331 HA GLU 39 HA GLU 39 -8.626 -15.544 -7.027 332 1HB GLU 39 HB2 GLU 39 -6.678 -15.347 -8.766 333 2HB GLU 39 HB1 GLU 39 -5.788 -14.598 -7.443 334 1HG GLU 39 HG2 GLU 39 -5.283 -16.944 -7.363 335 2HG GLU 39 HG1 GLU 39 -6.402 -16.634 -6.035 336 H LEU 40 HN LEU 40 -8.900 -12.614 -6.100 337 HA LEU 40 HA LEU 40 -7.114 -12.595 -3.732 338 1HB LEU 40 HB2 LEU 40 -9.230 -10.622 -4.657 339 2HB LEU 40 HB1 LEU 40 -8.099 -10.367 -3.327 340 HG LEU 40 HG LEU 40 -7.282 -10.889 -6.201 341 1HD1 LEU 40 HD12 LEU 40 -8.470 -8.698 -5.797 342 2HD1 LEU 40 HD11 LEU 40 -7.183 -8.279 -4.667 343 3HD1 LEU 40 HD13 LEU 40 -6.810 -8.533 -6.371 344 1HD2 LEU 40 HD21 LEU 40 -5.785 -10.415 -3.627 345 2HD2 LEU 40 HD23 LEU 40 -5.434 -11.545 -4.934 346 3HD2 LEU 40 HD22 LEU 40 -5.092 -9.831 -5.139 347 H SER 41 HN SER 41 -9.764 -14.242 -4.456 348 HA SER 41 HA SER 41 -11.675 -13.650 -2.444 349 1HB SER 41 HB2 SER 41 -12.547 -15.870 -2.841 350 2HB SER 41 HB1 SER 41 -12.010 -15.215 -4.386 351 HG SER 41 HG SER 41 -10.532 -16.945 -2.678 352 H HIS 42 HN HIS 42 -8.511 -14.900 -2.136 353 HA HIS 42 HA HIS 42 -8.799 -16.650 0.087 354 1HB HIS 42 HB2 HIS 42 -6.684 -16.406 -1.153 355 2HB HIS 42 HB1 HIS 42 -6.522 -14.753 -0.560 356 HD1 HIS 42 HD1 HIS 42 -5.172 -14.516 1.510 357 HD2 HIS 42 HD2 HIS 42 -6.849 -18.326 1.223 358 HE1 HIS 42 HE1 HIS 42 -4.330 -15.825 3.511 359 HE2 HIS 42 HE2 HIS 42 -5.349 -18.141 3.349 360 H PHE 43 HN PHE 43 -8.219 -13.122 0.011 361 HA PHE 43 HA PHE 43 -8.312 -12.852 2.885 362 1HB PHE 43 HB2 PHE 43 -8.654 -10.854 0.637 363 2HB PHE 43 HB1 PHE 43 -8.643 -10.400 2.341 364 HD1 PHE 43 HD2 PHE 43 -6.608 -10.863 3.743 365 HD2 PHE 43 HD1 PHE 43 -6.636 -11.397 -0.520 366 HE1 PHE 43 HE2 PHE 43 -4.127 -10.869 3.726 367 HE2 PHE 43 HE1 PHE 43 -4.157 -11.402 -0.536 368 HZ PHE 43 HZ PHE 43 -2.903 -11.136 1.586 369 H LEU 44 HN LEU 44 -10.712 -12.484 0.294 370 HA LEU 44 HA LEU 44 -12.878 -12.373 2.381 371 1HB LEU 44 HB2 LEU 44 -12.766 -11.050 -0.347 372 2HB LEU 44 HB1 LEU 44 -14.166 -11.029 0.719 373 HG LEU 44 HG LEU 44 -11.442 -9.999 1.560 374 1HD1 LEU 44 HD12 LEU 44 -13.733 -8.597 0.174 375 2HD1 LEU 44 HD11 LEU 44 -12.585 -7.714 1.181 376 3HD1 LEU 44 HD13 LEU 44 -12.020 -8.580 -0.248 377 1HD2 LEU 44 HD21 LEU 44 -14.245 -9.846 2.694 378 2HD2 LEU 44 HD23 LEU 44 -12.762 -10.360 3.496 379 3HD2 LEU 44 HD22 LEU 44 -13.022 -8.657 3.137 380 H GLU 45 HN GLU 45 -14.360 -14.018 2.219 381 HA GLU 45 HA GLU 45 -14.601 -15.472 -0.397 382 1HB GLU 45 HB2 GLU 45 -13.238 -16.655 1.494 383 2HB GLU 45 HB1 GLU 45 -14.805 -16.894 2.263 384 1HG GLU 45 HG2 GLU 45 -15.630 -18.035 0.236 385 2HG GLU 45 HG1 GLU 45 -14.070 -17.784 -0.545 386 H GLU 46 HN GLU 46 -16.229 -13.347 0.990 387 HA GLU 46 HA GLU 46 -18.739 -14.845 1.581 388 1HB GLU 46 HB2 GLU 46 -17.710 -12.939 3.071 389 2HB GLU 46 HB1 GLU 46 -18.441 -11.861 1.885 390 1HG GLU 46 HG2 GLU 46 -20.133 -12.108 3.513 391 2HG GLU 46 HG1 GLU 46 -20.604 -13.256 2.261 392 H ILE 47 HN ILE 47 -17.425 -13.931 -1.190 393 HA ILE 47 HA ILE 47 -19.458 -12.170 -2.293 394 HB ILE 47 HB ILE 47 -17.561 -14.017 -3.771 395 1HG1 ILE 47 HG12 ILE 47 -16.265 -12.560 -2.316 396 2HG1 ILE 47 HG11 ILE 47 -16.124 -11.976 -3.971 397 1HG2 ILE 47 HG22 ILE 47 -19.058 -11.516 -4.616 398 2HG2 ILE 47 HG21 ILE 47 -17.862 -12.359 -5.602 399 3HG2 ILE 47 HG23 ILE 47 -19.372 -13.162 -5.172 400 1HD1 ILE 47 HD13 ILE 47 -18.196 -10.465 -3.283 401 2HD1 ILE 47 HD12 ILE 47 -17.595 -10.768 -1.654 402 3HD1 ILE 47 HD11 ILE 47 -16.556 -9.990 -2.846 403 H LYS 48 HN LYS 48 -21.449 -12.738 -3.022 404 HA LYS 48 HA LYS 48 -21.964 -15.363 -4.205 405 1HB LYS 48 HB2 LYS 48 -24.015 -15.499 -2.418 406 2HB LYS 48 HB1 LYS 48 -22.465 -16.296 -2.150 407 1HG LYS 48 HG2 LYS 48 -21.698 -14.605 -0.703 408 2HG LYS 48 HG1 LYS 48 -22.903 -13.449 -1.264 409 1HD LYS 48 HD2 LYS 48 -23.551 -14.258 0.937 410 2HD LYS 48 HD1 LYS 48 -24.687 -14.876 -0.259 411 1HE LYS 48 HE2 LYS 48 -22.278 -16.512 0.522 412 2HE LYS 48 HE1 LYS 48 -23.722 -16.518 1.530 413 1HZ LYS 48 HZ1 LYS 48 -23.954 -16.947 -1.372 414 2HZ LYS 48 HZ3 LYS 48 -23.506 -18.231 -0.361 415 3HZ LYS 48 HZ2 LYS 48 -24.993 -17.445 -0.129 416 H GLU 49 HN GLU 49 -23.794 -12.716 -2.616 417 HA GLU 49 HA GLU 49 -25.506 -12.518 -5.053 418 1HB GLU 49 HB2 GLU 49 -25.843 -11.477 -2.223 419 2HB GLU 49 HB1 GLU 49 -26.933 -11.065 -3.546 420 1HG GLU 49 HG2 GLU 49 -27.427 -13.457 -3.893 421 2HG GLU 49 HG1 GLU 49 -26.334 -13.877 -2.573 422 H GLN 50 HN GLN 50 -25.846 -10.408 -5.991 423 HA GLN 50 HA GLN 50 -23.492 -8.853 -6.300 424 1HB GLN 50 HB2 GLN 50 -26.391 -8.262 -6.912 425 2HB GLN 50 HB1 GLN 50 -25.087 -7.149 -7.328 426 1HG GLN 50 HG2 GLN 50 -24.022 -8.815 -8.723 427 2HG GLN 50 HG1 GLN 50 -25.153 -10.055 -8.187 428 1HE2 GLN 50 HE22 GLN 50 -26.244 -7.469 -11.134 429 2HE2 GLN 50 HE21 GLN 50 -24.743 -7.319 -10.357 430 H GLU 51 HN GLU 51 -26.103 -8.593 -3.971 431 HA GLU 51 HA GLU 51 -25.708 -5.895 -3.181 432 1HB GLU 51 HB2 GLU 51 -26.958 -6.424 -1.229 433 2HB GLU 51 HB1 GLU 51 -27.578 -7.500 -2.477 434 1HG GLU 51 HG2 GLU 51 -27.268 -8.994 -0.703 435 2HG GLU 51 HG1 GLU 51 -25.741 -9.164 -1.568 436 H VAL 52 HN VAL 52 -23.924 -8.824 -2.321 437 HA VAL 52 HA VAL 52 -22.484 -7.780 -0.095 438 HB VAL 52 HB VAL 52 -21.716 -9.838 -2.185 439 1HG1 VAL 52 HG12 VAL 52 -20.264 -8.892 0.291 440 2HG1 VAL 52 HG11 VAL 52 -20.032 -10.523 -0.340 441 3HG1 VAL 52 HG13 VAL 52 -19.621 -9.127 -1.335 442 1HG2 VAL 52 HG21 VAL 52 -22.649 -10.058 0.693 443 2HG2 VAL 52 HG23 VAL 52 -23.626 -10.406 -0.733 444 3HG2 VAL 52 HG22 VAL 52 -22.229 -11.413 -0.353 445 H VAL 53 HN VAL 53 -21.687 -7.754 -3.576 446 HA VAL 53 HA VAL 53 -19.205 -6.382 -3.333 447 HB VAL 53 HB VAL 53 -21.262 -6.448 -5.560 448 1HG1 VAL 53 HG12 VAL 53 -18.481 -5.240 -5.506 449 2HG1 VAL 53 HG11 VAL 53 -19.337 -5.638 -6.996 450 3HG1 VAL 53 HG13 VAL 53 -19.994 -4.423 -5.900 451 1HG2 VAL 53 HG23 VAL 53 -20.066 -8.567 -4.902 452 2HG2 VAL 53 HG22 VAL 53 -19.766 -8.059 -6.564 453 3HG2 VAL 53 HG21 VAL 53 -18.547 -7.775 -5.322 454 H ASP 54 HN ASP 54 -22.518 -5.138 -3.794 455 HA ASP 54 HA ASP 54 -21.822 -2.379 -3.909 456 1HB ASP 54 HB2 ASP 54 -24.063 -3.302 -4.511 457 2HB ASP 54 HB1 ASP 54 -24.373 -3.581 -2.797 458 H LYS 55 HN LYS 55 -22.767 -4.403 -1.117 459 HA LYS 55 HA LYS 55 -22.616 -2.338 0.843 460 1HB LYS 55 HB2 LYS 55 -23.531 -4.703 1.152 461 2HB LYS 55 HB1 LYS 55 -21.856 -5.235 1.300 462 1HG LYS 55 HG2 LYS 55 -21.547 -3.590 3.160 463 2HG LYS 55 HG1 LYS 55 -23.268 -3.214 3.060 464 1HD LYS 55 HD2 LYS 55 -23.770 -5.635 3.467 465 2HD LYS 55 HD1 LYS 55 -22.044 -5.907 3.716 466 1HE LYS 55 HE2 LYS 55 -23.964 -4.320 5.406 467 2HE LYS 55 HE1 LYS 55 -22.823 -5.568 5.905 468 1HZ LYS 55 HZ1 LYS 55 -21.088 -3.883 5.001 469 2HZ LYS 55 HZ3 LYS 55 -22.324 -2.748 5.247 470 3HZ LYS 55 HZ2 LYS 55 -21.747 -3.668 6.553 471 H VAL 56 HN VAL 56 -20.172 -4.580 -0.396 472 HA VAL 56 HA VAL 56 -18.032 -3.637 1.286 473 HB VAL 56 HB VAL 56 -18.088 -5.195 -1.308 474 1HG1 VAL 56 HG13 VAL 56 -15.760 -4.234 0.361 475 2HG1 VAL 56 HG12 VAL 56 -15.642 -5.722 -0.580 476 3HG1 VAL 56 HG11 VAL 56 -15.956 -4.189 -1.390 477 1HG2 VAL 56 HG22 VAL 56 -17.529 -5.929 1.585 478 2HG2 VAL 56 HG21 VAL 56 -18.964 -6.365 0.658 479 3HG2 VAL 56 HG23 VAL 56 -17.394 -7.042 0.223 480 H MET 57 HN MET 57 -19.100 -2.814 -2.000 481 HA MET 57 HA MET 57 -16.906 -1.164 -2.704 482 1HB MET 57 HB2 MET 57 -18.676 -1.907 -4.285 483 2HB MET 57 HB1 MET 57 -19.809 -0.808 -3.498 484 1HG MET 57 HG2 MET 57 -18.361 1.104 -4.073 485 2HG MET 57 HG1 MET 57 -17.220 0.009 -4.852 486 1HE MET 57 HE2 MET 57 -17.787 2.187 -6.150 487 2HE MET 57 HE1 MET 57 -17.670 1.277 -7.655 488 3HE MET 57 HE3 MET 57 -19.064 2.322 -7.353 489 H GLU 58 HN GLU 58 -19.884 -0.388 -0.930 490 HA GLU 58 HA GLU 58 -19.439 2.432 -0.789 491 1HB GLU 58 HB2 GLU 58 -21.596 1.298 -0.209 492 2HB GLU 58 HB1 GLU 58 -20.837 0.694 1.264 493 1HG GLU 58 HG2 GLU 58 -20.382 3.008 1.990 494 2HG GLU 58 HG1 GLU 58 -21.136 3.619 0.516 495 H THR 59 HN THR 59 -18.272 -0.250 1.192 496 HA THR 59 HA THR 59 -17.291 1.237 3.392 497 HB THR 59 HB THR 59 -16.111 -1.285 2.193 498 HG1 THR 59 HG1 THR 59 -17.527 -2.230 3.801 499 1HG2 THR 59 HG22 THR 59 -14.694 -0.164 3.918 500 2HG2 THR 59 HG21 THR 59 -16.062 -0.213 5.031 501 3HG2 THR 59 HG23 THR 59 -15.326 -1.714 4.473 502 H LEU 60 HN LEU 60 -15.559 0.377 0.346 503 HA LEU 60 HA LEU 60 -13.211 1.872 1.274 504 1HB LEU 60 HB2 LEU 60 -12.062 0.735 -0.327 505 2HB LEU 60 HB1 LEU 60 -13.519 -0.230 -0.476 506 HG LEU 60 HG LEU 60 -12.897 2.221 -2.175 507 1HD1 LEU 60 HD12 LEU 60 -12.444 -0.730 -2.596 508 2HD1 LEU 60 HD11 LEU 60 -12.634 0.377 -3.956 509 3HD1 LEU 60 HD13 LEU 60 -11.312 0.605 -2.813 510 1HD2 LEU 60 HD22 LEU 60 -15.170 0.242 -2.045 511 2HD2 LEU 60 HD21 LEU 60 -15.229 1.985 -2.291 512 3HD2 LEU 60 HD23 LEU 60 -14.725 0.929 -3.605 513 H ASP 61 HN ASP 61 -16.130 2.783 -0.117 514 HA ASP 61 HA ASP 61 -15.111 4.938 -1.800 515 1HB ASP 61 HB2 ASP 61 -17.851 4.326 -0.666 516 2HB ASP 61 HB1 ASP 61 -17.526 5.730 -1.684 517 H GLU 62 HN GLU 62 -14.183 6.743 -0.974 518 HA GLU 62 HA GLU 62 -14.752 7.527 1.835 519 1HB GLU 62 HB2 GLU 62 -12.708 8.544 -0.165 520 2HB GLU 62 HB1 GLU 62 -12.838 9.081 1.509 521 1HG GLU 62 HG2 GLU 62 -12.364 6.207 0.667 522 2HG GLU 62 HG1 GLU 62 -11.096 7.317 1.188 523 H ASP 63 HN ASP 63 -14.867 8.899 -1.452 524 HA ASP 63 HA ASP 63 -16.354 11.260 -0.392 525 1HB ASP 63 HB2 ASP 63 -15.916 12.244 -2.616 526 2HB ASP 63 HB1 ASP 63 -14.420 11.736 -1.830 527 H GLY 64 HN GLY 64 -17.093 8.243 -1.524 528 1HA GLY 64 HA2 GLY 64 -18.989 7.328 -2.583 529 2HA GLY 64 HA1 GLY 64 -19.841 8.677 -1.827 530 H ASP 65 HN ASP 65 -17.416 8.506 -4.453 531 HA ASP 65 HA ASP 65 -18.939 10.509 -5.973 532 1HB ASP 65 HB2 ASP 65 -17.062 10.361 -7.566 533 2HB ASP 65 HB1 ASP 65 -16.478 10.591 -5.916 534 H GLY 66 HN GLY 66 -19.070 7.158 -5.683 535 1HA GLY 66 HA2 GLY 66 -20.597 5.754 -6.870 536 2HA GLY 66 HA1 GLY 66 -20.718 6.980 -8.132 537 H GLU 67 HN GLU 67 -17.524 6.835 -7.689 538 HA GLU 67 HA GLU 67 -17.054 4.395 -9.341 539 1HB GLU 67 HB2 GLU 67 -15.768 5.638 -10.973 540 2HB GLU 67 HB1 GLU 67 -17.353 6.392 -10.843 541 1HG GLU 67 HG2 GLU 67 -16.406 8.096 -9.308 542 2HG GLU 67 HG1 GLU 67 -14.813 7.364 -9.490 543 H CYS 68 HN CYS 68 -14.754 3.762 -9.317 544 HA CYS 68 HA CYS 68 -13.354 4.738 -6.844 545 1HB CYS 68 HB2 CYS 68 -12.194 2.356 -7.241 546 2HB CYS 68 HB1 CYS 68 -13.736 2.493 -6.395 547 HG CYS 68 HG CYS 68 -14.504 0.928 -8.170 548 H ASP 69 HN ASP 69 -11.724 6.074 -7.386 549 HA ASP 69 HA ASP 69 -10.326 5.781 -9.979 550 1HB ASP 69 HB2 ASP 69 -10.182 7.845 -7.770 551 2HB ASP 69 HB1 ASP 69 -9.118 7.867 -9.176 552 H PHE 70 HN PHE 70 -7.790 6.364 -9.592 553 HA PHE 70 HA PHE 70 -6.625 4.014 -8.506 554 1HB PHE 70 HB2 PHE 70 -5.499 5.390 -10.190 555 2HB PHE 70 HB1 PHE 70 -5.349 6.711 -9.030 556 HD1 PHE 70 HD1 PHE 70 -4.165 3.339 -9.949 557 HD2 PHE 70 HD2 PHE 70 -3.791 6.595 -7.174 558 HE1 PHE 70 HE1 PHE 70 -2.058 2.359 -9.082 559 HE2 PHE 70 HE2 PHE 70 -1.688 5.617 -6.305 560 HZ PHE 70 HZ PHE 70 -0.819 3.498 -7.257 561 H GLN 71 HN GLN 71 -7.026 7.247 -7.058 562 HA GLN 71 HA GLN 71 -5.482 6.767 -4.718 563 1HB GLN 71 HB2 GLN 71 -6.394 8.994 -5.435 564 2HB GLN 71 HB1 GLN 71 -7.992 8.457 -4.914 565 1HG GLN 71 HG2 GLN 71 -5.618 8.388 -3.044 566 2HG GLN 71 HG1 GLN 71 -6.601 9.838 -3.231 567 1HE2 GLN 71 HE22 GLN 71 -9.579 8.081 -1.937 568 2HE2 GLN 71 HE21 GLN 71 -9.173 9.017 -3.294 569 H GLU 72 HN GLU 72 -8.941 6.165 -5.364 570 HA GLU 72 HA GLU 72 -9.538 5.200 -2.734 571 1HB GLU 72 HB2 GLU 72 -10.874 4.713 -5.403 572 2HB GLU 72 HB1 GLU 72 -11.508 4.080 -3.883 573 1HG GLU 72 HG2 GLU 72 -11.502 6.434 -2.986 574 2HG GLU 72 HG1 GLU 72 -11.075 6.993 -4.604 575 H PHE 73 HN PHE 73 -8.290 3.594 -5.621 576 HA PHE 73 HA PHE 73 -8.629 0.904 -4.781 577 1HB PHE 73 HB2 PHE 73 -7.939 1.313 -7.035 578 2HB PHE 73 HB1 PHE 73 -6.542 2.251 -6.513 579 HD1 PHE 73 HD2 PHE 73 -8.027 -1.182 -6.321 580 HD2 PHE 73 HD1 PHE 73 -4.451 1.196 -6.231 581 HE1 PHE 73 HE2 PHE 73 -6.652 -3.243 -6.299 582 HE2 PHE 73 HE1 PHE 73 -3.077 -0.868 -6.210 583 HZ PHE 73 HZ PHE 73 -4.180 -3.090 -6.245 584 H MET 74 HN MET 74 -6.047 3.240 -4.065 585 HA MET 74 HA MET 74 -4.314 1.459 -2.670 586 1HB MET 74 HB2 MET 74 -4.821 4.424 -2.288 587 2HB MET 74 HB1 MET 74 -3.513 3.542 -1.500 588 1HG MET 74 HG2 MET 74 -3.918 3.697 -4.503 589 2HG MET 74 HG1 MET 74 -2.782 4.693 -3.597 590 1HE MET 74 HE3 MET 74 -0.647 4.132 -2.819 591 2HE MET 74 HE2 MET 74 -1.251 3.069 -1.552 592 3HE MET 74 HE1 MET 74 0.060 2.528 -2.591 593 H ALA 75 HN ALA 75 -7.145 3.300 -1.612 594 HA ALA 75 HA ALA 75 -6.917 2.839 1.172 595 1HB ALA 75 HB3 ALA 75 -8.586 4.353 0.018 596 2HB ALA 75 HB2 ALA 75 -9.511 2.909 -0.391 597 3HB ALA 75 HB1 ALA 75 -9.271 3.350 1.298 598 H PHE 76 HN PHE 76 -8.339 0.797 -1.381 599 HA PHE 76 HA PHE 76 -9.425 -1.201 0.333 600 1HB PHE 76 HB2 PHE 76 -9.928 -1.121 -2.072 601 2HB PHE 76 HB1 PHE 76 -8.253 -1.527 -2.443 602 HD1 PHE 76 HD2 PHE 76 -11.438 -2.795 -1.058 603 HD2 PHE 76 HD1 PHE 76 -7.378 -3.761 -2.074 604 HE1 PHE 76 HE2 PHE 76 -11.946 -5.211 -0.801 605 HE2 PHE 76 HE1 PHE 76 -7.884 -6.173 -1.814 606 HZ PHE 76 HZ PHE 76 -10.169 -6.900 -1.178 607 H VAL 77 HN VAL 77 -6.153 -0.826 -1.016 608 HA VAL 77 HA VAL 77 -5.124 -3.327 -0.130 609 HB VAL 77 HB VAL 77 -3.776 -0.638 -0.506 610 1HG1 VAL 77 HG13 VAL 77 -2.622 -3.368 0.098 611 2HG1 VAL 77 HG12 VAL 77 -1.672 -2.075 -0.634 612 3HG1 VAL 77 HG11 VAL 77 -2.353 -1.863 0.978 613 1HG2 VAL 77 HG23 VAL 77 -4.062 -3.130 -2.205 614 2HG2 VAL 77 HG22 VAL 77 -4.634 -1.503 -2.576 615 3HG2 VAL 77 HG21 VAL 77 -2.904 -1.850 -2.566 616 H SER 78 HN SER 78 -5.340 -0.174 1.496 617 HA SER 78 HA SER 78 -3.998 -0.929 3.899 618 1HB SER 78 HB2 SER 78 -5.032 1.015 4.889 619 2HB SER 78 HB1 SER 78 -4.648 1.420 3.217 620 HG SER 78 HG SER 78 -7.108 0.994 4.456 621 H MET 79 HN MET 79 -7.365 -1.210 2.863 622 HA MET 79 HA MET 79 -8.512 -2.079 5.310 623 1HB MET 79 HB2 MET 79 -9.722 -1.437 3.179 624 2HB MET 79 HB1 MET 79 -9.292 -3.020 2.536 625 1HG MET 79 HG2 MET 79 -10.404 -4.035 4.577 626 2HG MET 79 HG1 MET 79 -11.005 -2.423 4.960 627 1HE MET 79 HE2 MET 79 -12.527 -1.088 3.755 628 2HE MET 79 HE1 MET 79 -11.787 -1.083 2.156 629 3HE MET 79 HE3 MET 79 -13.493 -1.509 2.344 630 H VAL 80 HN VAL 80 -6.916 -3.953 2.723 631 HA VAL 80 HA VAL 80 -7.510 -6.527 3.855 632 HB VAL 80 HB VAL 80 -5.309 -5.610 1.985 633 1HG1 VAL 80 HG12 VAL 80 -6.038 -8.359 3.008 634 2HG1 VAL 80 HG11 VAL 80 -5.214 -8.135 1.463 635 3HG1 VAL 80 HG13 VAL 80 -4.449 -7.597 2.957 636 1HG2 VAL 80 HG23 VAL 80 -7.968 -7.016 1.590 637 2HG2 VAL 80 HG22 VAL 80 -7.512 -5.415 1.006 638 3HG2 VAL 80 HG21 VAL 80 -6.750 -6.853 0.325 639 H THR 81 HN THR 81 -4.709 -4.347 4.211 640 HA THR 81 HA THR 81 -3.172 -6.185 5.801 641 HB THR 81 HB THR 81 -1.804 -4.215 6.349 642 HG1 THR 81 HG1 THR 81 -2.990 -2.374 4.897 643 1HG2 THR 81 HG22 THR 81 -1.775 -5.367 4.052 644 2HG2 THR 81 HG21 THR 81 -2.699 -3.980 3.476 645 3HG2 THR 81 HG23 THR 81 -1.078 -3.748 4.134 646 H THR 82 HN THR 82 -5.391 -3.541 6.675 647 HA THR 82 HA THR 82 -4.934 -3.821 9.516 648 HB THR 82 HB THR 82 -6.928 -2.387 9.742 649 HG1 THR 82 HG1 THR 82 -7.668 -1.751 7.440 650 1HG2 THR 82 HG22 THR 82 -4.939 -1.688 7.577 651 2HG2 THR 82 HG21 THR 82 -6.129 -0.529 8.172 652 3HG2 THR 82 HG23 THR 82 -4.919 -1.195 9.271 653 H ALA 83 HN ALA 83 -7.351 -5.113 7.264 654 HA ALA 83 HA ALA 83 -8.948 -6.397 9.293 655 1HB ALA 83 HB2 ALA 83 -8.682 -7.004 6.335 656 2HB ALA 83 HB1 ALA 83 -9.951 -7.624 7.393 657 3HB ALA 83 HB3 ALA 83 -9.843 -5.895 7.064 658 H CYS 84 HN CYS 84 -6.269 -7.527 7.237 659 HA CYS 84 HA CYS 84 -6.453 -10.276 8.049 660 1HB CYS 84 HB2 CYS 84 -4.349 -10.578 6.968 661 2HB CYS 84 HB1 CYS 84 -5.194 -9.345 6.034 662 HG CYS 84 HG CYS 84 -3.520 -7.997 8.136 663 H HIS 85 HN HIS 85 -5.290 -11.413 9.631 664 HA HIS 85 HA HIS 85 -4.517 -9.842 11.984 665 1HB HIS 85 HB2 HIS 85 -4.607 -12.815 11.417 666 2HB HIS 85 HB1 HIS 85 -4.081 -12.140 12.960 667 HD1 HIS 85 HD1 HIS 85 -7.120 -12.532 10.775 668 HD2 HIS 85 HD2 HIS 85 -6.163 -11.063 14.559 669 HE1 HIS 85 HE1 HIS 85 -9.320 -12.130 11.966 670 HE2 HIS 85 HE2 HIS 85 -8.749 -11.242 14.273 671 H GLU 86 HN GLU 86 -2.407 -10.261 13.077 672 HA GLU 86 HA GLU 86 -0.201 -10.219 11.104 673 1HB GLU 86 HB2 GLU 86 -0.277 -9.756 14.101 674 2HB GLU 86 HB1 GLU 86 1.174 -9.619 13.110 675 1HG GLU 86 HG2 GLU 86 0.097 -7.868 11.756 676 2HG GLU 86 HG1 GLU 86 -1.366 -8.006 12.732 677 H PHE 87 HN PHE 87 -1.840 -12.578 12.723 678 HA PHE 87 HA PHE 87 0.287 -14.184 13.797 679 1HB PHE 87 HB2 PHE 87 -2.234 -14.406 14.231 680 2HB PHE 87 HB1 PHE 87 -2.315 -15.259 12.691 681 HD1 PHE 87 HD2 PHE 87 -0.573 -15.261 15.995 682 HD2 PHE 87 HD1 PHE 87 -1.743 -17.557 12.559 683 HE1 PHE 87 HE2 PHE 87 0.203 -17.332 17.116 684 HE2 PHE 87 HE1 PHE 87 -0.964 -19.629 13.680 685 HZ PHE 87 HZ PHE 87 0.007 -19.516 15.958 686 H PHE 88 HN PHE 88 0.380 -13.149 10.847 687 HA PHE 88 HA PHE 88 0.458 -15.567 9.240 688 1HB PHE 88 HB2 PHE 88 1.210 -12.684 8.858 689 2HB PHE 88 HB1 PHE 88 1.923 -13.859 7.756 690 HD1 PHE 88 HD1 PHE 88 -1.420 -13.068 9.284 691 HD2 PHE 88 HD2 PHE 88 0.741 -14.342 5.794 692 HE1 PHE 88 HE1 PHE 88 -3.534 -13.122 7.992 693 HE2 PHE 88 HE2 PHE 88 -1.375 -14.397 4.504 694 HZ PHE 88 HZ PHE 88 -3.513 -13.787 5.603 695 H GLU 89 HN GLU 89 2.439 -14.440 11.677 696 HA GLU 89 HA GLU 89 5.077 -14.782 10.826 697 1HB GLU 89 HB2 GLU 89 5.345 -15.889 13.239 698 2HB GLU 89 HB1 GLU 89 4.961 -14.178 13.075 699 1HG GLU 89 HG2 GLU 89 2.577 -14.645 13.380 700 2HG GLU 89 HG1 GLU 89 2.903 -16.376 13.453 701 H HIS 90 HN HIS 90 4.222 -17.449 12.881 702 HA HIS 90 HA HIS 90 5.394 -19.317 10.964 703 1HB HIS 90 HB2 HIS 90 5.625 -19.480 13.498 704 2HB HIS 90 HB1 HIS 90 3.943 -20.008 13.530 705 HD1 HIS 90 HD1 HIS 90 6.961 -20.945 11.368 706 HD2 HIS 90 HD2 HIS 90 3.899 -22.769 13.537 707 HE1 HIS 90 HE1 HIS 90 7.267 -23.444 11.079 708 HE2 HIS 90 HE2 HIS 90 5.413 -24.564 12.399 709 H GLU 91 HN GLU 91 4.232 -21.141 10.038 710 HA GLU 91 HA GLU 91 1.799 -20.540 8.804 711 1HB GLU 91 HB2 GLU 91 1.592 -22.910 8.304 712 2HB GLU 91 HB1 GLU 91 3.292 -22.460 8.207 713 1HG GLU 91 HG2 GLU 91 3.587 -23.273 10.561 714 2HG GLU 91 HG1 GLU 91 1.921 -23.853 10.526 715 1H MET 0 HT1 MET 0 1.293 -16.454 -9.254 716 2H MET 0 HT3 MET 0 0.842 -18.082 -9.111 717 3H MET 0 HT2 MET 0 0.520 -17.236 -10.549 718 HA MET 0 HA MET 0 -1.532 -17.243 -9.527 719 1HB MET 0 HB2 MET 0 -1.750 -16.723 -7.071 720 2HB MET 0 HB1 MET 0 -0.876 -18.214 -7.409 721 1HG MET 0 HG2 MET 0 0.699 -15.667 -7.136 722 2HG MET 0 HG1 MET 0 0.097 -16.457 -5.681 723 1HE MET 0 HE1 MET 0 2.150 -16.885 -4.644 724 2HE MET 0 HE3 MET 0 1.407 -18.488 -4.535 725 3HE MET 0 HE2 MET 0 3.116 -18.330 -4.932 726 H SER 1 HN SER 1 -2.313 -15.145 -7.725 727 HA SER 1 HA SER 1 -2.090 -12.888 -9.511 728 1HB SER 1 HB2 SER 1 -4.092 -13.135 -8.173 729 2HB SER 1 HB1 SER 1 -3.153 -13.120 -6.682 730 HG SER 1 HG SER 1 -3.298 -11.034 -6.754 731 H GLU 2 HN GLU 2 -0.638 -11.254 -9.496 732 HA GLU 2 HA GLU 2 1.802 -11.414 -8.051 733 1HB GLU 2 HB2 GLU 2 1.297 -10.111 -10.208 734 2HB GLU 2 HB1 GLU 2 0.642 -8.851 -9.163 735 1HG GLU 2 HG2 GLU 2 3.435 -9.970 -8.820 736 2HG GLU 2 HG1 GLU 2 3.082 -8.562 -9.817 737 H LEU 3 HN LEU 3 -1.183 -9.653 -7.383 738 HA LEU 3 HA LEU 3 -0.248 -7.990 -5.289 739 1HB LEU 3 HB2 LEU 3 -2.920 -9.215 -5.944 740 2HB LEU 3 HB1 LEU 3 -2.724 -8.251 -4.485 741 HG LEU 3 HG LEU 3 -3.544 -6.987 -6.535 742 1HD1 LEU 3 HD13 LEU 3 -2.173 -6.032 -4.491 743 2HD1 LEU 3 HD12 LEU 3 -0.905 -5.813 -5.694 744 3HD1 LEU 3 HD11 LEU 3 -2.466 -5.027 -5.905 745 1HD2 LEU 3 HD22 LEU 3 -2.027 -8.192 -8.140 746 2HD2 LEU 3 HD21 LEU 3 -1.966 -6.437 -8.277 747 3HD2 LEU 3 HD23 LEU 3 -0.668 -7.297 -7.460 748 H GLU 4 HN GLU 4 -1.361 -11.376 -5.189 749 HA GLU 4 HA GLU 4 -1.384 -11.623 -2.354 750 1HB GLU 4 HB2 GLU 4 -0.786 -13.637 -4.536 751 2HB GLU 4 HB1 GLU 4 -0.949 -14.075 -2.834 752 1HG GLU 4 HG2 GLU 4 -3.084 -12.548 -4.337 753 2HG GLU 4 HG1 GLU 4 -3.067 -14.309 -4.238 754 H LYS 5 HN LYS 5 1.281 -11.990 -4.705 755 HA LYS 5 HA LYS 5 3.213 -12.795 -2.707 756 1HB LYS 5 HB2 LYS 5 3.567 -13.227 -5.118 757 2HB LYS 5 HB1 LYS 5 3.667 -11.489 -5.406 758 1HG LYS 5 HG2 LYS 5 5.660 -11.293 -4.075 759 2HG LYS 5 HG1 LYS 5 5.490 -12.939 -3.471 760 1HD LYS 5 HD2 LYS 5 7.165 -13.072 -5.153 761 2HD LYS 5 HD1 LYS 5 5.705 -13.694 -5.919 762 1HE LYS 5 HE2 LYS 5 5.318 -11.561 -7.027 763 2HE LYS 5 HE1 LYS 5 6.664 -10.826 -6.156 764 1HZ LYS 5 HZ2 LYS 5 7.977 -12.785 -7.221 765 2HZ LYS 5 HZ1 LYS 5 6.706 -12.779 -8.347 766 3HZ LYS 5 HZ3 LYS 5 7.649 -11.386 -8.128 767 H ALA 6 HN ALA 6 2.304 -9.657 -4.121 768 HA ALA 6 HA ALA 6 4.377 -8.169 -2.780 769 1HB ALA 6 HB3 ALA 6 3.062 -7.374 -4.785 770 2HB ALA 6 HB2 ALA 6 1.692 -7.119 -3.705 771 3HB ALA 6 HB1 ALA 6 3.178 -6.197 -3.477 772 H MET 7 HN MET 7 0.995 -8.907 -1.950 773 HA MET 7 HA MET 7 0.861 -7.246 0.370 774 1HB MET 7 HB2 MET 7 -0.539 -9.854 -0.302 775 2HB MET 7 HB1 MET 7 -0.956 -8.846 1.085 776 1HG MET 7 HG2 MET 7 -0.867 -7.678 -1.696 777 2HG MET 7 HG1 MET 7 -2.301 -8.518 -1.111 778 1HE MET 7 HE2 MET 7 -3.359 -6.169 -1.812 779 2HE MET 7 HE1 MET 7 -4.150 -7.105 -0.546 780 3HE MET 7 HE3 MET 7 -3.990 -5.353 -0.385 781 H VAL 8 HN VAL 8 1.961 -10.582 -0.115 782 HA VAL 8 HA VAL 8 2.493 -11.090 2.677 783 HB VAL 8 HB VAL 8 3.499 -12.395 0.135 784 1HG1 VAL 8 HG12 VAL 8 4.091 -12.971 3.037 785 2HG1 VAL 8 HG11 VAL 8 4.055 -14.288 1.863 786 3HG1 VAL 8 HG13 VAL 8 5.194 -12.956 1.660 787 1HG2 VAL 8 HG21 VAL 8 1.045 -12.543 0.805 788 2HG2 VAL 8 HG23 VAL 8 1.874 -14.090 0.622 789 3HG2 VAL 8 HG22 VAL 8 1.577 -13.433 2.231 790 H ALA 9 HN ALA 9 4.498 -9.979 -0.054 791 HA ALA 9 HA ALA 9 6.959 -9.935 1.419 792 1HB ALA 9 HB1 ALA 9 6.646 -9.814 -1.122 793 2HB ALA 9 HB3 ALA 9 6.300 -8.100 -0.888 794 3HB ALA 9 HB2 ALA 9 7.872 -8.752 -0.429 795 H LEU 10 HN LEU 10 4.499 -7.420 0.816 796 HA LEU 10 HA LEU 10 5.905 -5.277 2.050 797 1HB LEU 10 HB2 LEU 10 3.852 -4.961 0.707 798 2HB LEU 10 HB1 LEU 10 2.910 -5.788 1.944 799 HG LEU 10 HG LEU 10 3.558 -4.016 3.579 800 1HD1 LEU 10 HD13 LEU 10 5.021 -2.962 1.158 801 2HD1 LEU 10 HD12 LEU 10 4.449 -1.856 2.407 802 3HD1 LEU 10 HD11 LEU 10 5.602 -3.123 2.816 803 1HD2 LEU 10 HD23 LEU 10 2.200 -3.213 0.996 804 2HD2 LEU 10 HD22 LEU 10 1.442 -3.738 2.499 805 3HD2 LEU 10 HD21 LEU 10 2.233 -2.165 2.415 806 H ILE 11 HN ILE 11 3.514 -7.543 3.447 807 HA ILE 11 HA ILE 11 3.815 -6.545 6.140 808 HB ILE 11 HB ILE 11 2.801 -9.215 5.123 809 1HG1 ILE 11 HG12 ILE 11 1.249 -6.769 6.017 810 2HG1 ILE 11 HG11 ILE 11 1.618 -7.117 4.328 811 1HG2 ILE 11 HG21 ILE 11 2.667 -7.870 7.833 812 2HG2 ILE 11 HG23 ILE 11 1.598 -9.192 7.365 813 3HG2 ILE 11 HG22 ILE 11 3.340 -9.454 7.448 814 1HD1 ILE 11 HD12 ILE 11 0.463 -9.293 4.528 815 2HD1 ILE 11 HD11 ILE 11 0.077 -8.930 6.210 816 3HD1 ILE 11 HD13 ILE 11 -0.622 -7.957 4.916 817 H ASP 12 HN ASP 12 5.259 -9.278 4.377 818 HA ASP 12 HA ASP 12 6.609 -10.486 6.558 819 1HB ASP 12 HB2 ASP 12 6.372 -11.534 4.338 820 2HB ASP 12 HB1 ASP 12 7.467 -10.333 3.657 821 H VAL 13 HN VAL 13 7.801 -8.000 4.277 822 HA VAL 13 HA VAL 13 10.413 -7.805 5.376 823 HB VAL 13 HB VAL 13 8.696 -5.755 3.954 824 1HG1 VAL 13 HG12 VAL 13 11.535 -5.621 4.969 825 2HG1 VAL 13 HG11 VAL 13 11.068 -4.730 3.522 826 3HG1 VAL 13 HG13 VAL 13 10.268 -4.398 5.055 827 1HG2 VAL 13 HG23 VAL 13 9.385 -7.852 2.734 828 2HG2 VAL 13 HG22 VAL 13 10.011 -6.370 2.012 829 3HG2 VAL 13 HG21 VAL 13 11.066 -7.387 2.993 830 H PHE 14 HN PHE 14 7.429 -6.053 6.230 831 HA PHE 14 HA PHE 14 8.591 -4.275 8.115 832 1HB PHE 14 HB2 PHE 14 6.282 -4.042 7.305 833 2HB PHE 14 HB1 PHE 14 5.832 -5.530 8.139 834 HD1 PHE 14 HD1 PHE 14 5.700 -5.634 10.565 835 HD2 PHE 14 HD2 PHE 14 6.753 -1.986 8.557 836 HE1 PHE 14 HE1 PHE 14 5.301 -4.370 12.657 837 HE2 PHE 14 HE2 PHE 14 6.354 -0.719 10.653 838 HZ PHE 14 HZ PHE 14 5.628 -1.913 12.704 839 H HIS 15 HN HIS 15 7.247 -7.551 8.604 840 HA HIS 15 HA HIS 15 7.618 -7.589 11.437 841 1HB HIS 15 HB2 HIS 15 6.279 -9.220 9.958 842 2HB HIS 15 HB1 HIS 15 7.818 -10.025 9.656 843 HD1 HIS 15 HD1 HIS 15 9.159 -10.060 12.335 844 HD2 HIS 15 HD2 HIS 15 5.060 -10.721 11.928 845 HE1 HIS 15 HE1 HIS 15 8.422 -11.315 14.410 846 HE2 HIS 15 HE2 HIS 15 5.933 -11.733 14.166 847 H GLN 16 HN GLN 16 9.680 -8.966 8.854 848 HA GLN 16 HA GLN 16 11.767 -9.753 10.672 849 1HB GLN 16 HB2 GLN 16 11.725 -9.323 7.677 850 2HB GLN 16 HB1 GLN 16 13.114 -9.976 8.548 851 1HG GLN 16 HG2 GLN 16 11.718 -11.817 9.410 852 2HG GLN 16 HG1 GLN 16 10.324 -11.166 8.547 853 1HE2 GLN 16 HE22 GLN 16 13.253 -12.179 5.902 854 2HE2 GLN 16 HE21 GLN 16 13.537 -11.013 7.100 855 H TYR 17 HN TYR 17 11.332 -6.866 8.626 856 HA TYR 17 HA TYR 17 13.944 -5.778 9.172 857 1HB TYR 17 HB2 TYR 17 12.327 -5.139 7.282 858 2HB TYR 17 HB1 TYR 17 11.485 -4.159 8.482 859 HD1 TYR 17 HD2 TYR 17 12.727 -2.314 9.675 860 HD2 TYR 17 HD1 TYR 17 14.396 -4.432 6.330 861 HE1 TYR 17 HE2 TYR 17 14.401 -0.508 9.365 862 HE2 TYR 17 HE1 TYR 17 16.069 -2.628 6.021 863 HH TYR 17 HH TYR 17 17.146 -0.824 7.638 864 H SER 18 HN SER 18 10.746 -5.189 10.640 865 HA SER 18 HA SER 18 11.771 -3.213 12.502 866 1HB SER 18 HB2 SER 18 9.564 -3.192 13.414 867 2HB SER 18 HB1 SER 18 9.365 -3.444 11.681 868 HG SER 18 HG SER 18 8.393 -4.929 13.537 869 H GLY 19 HN GLY 19 11.659 -6.666 12.464 870 1HA GLY 19 HA2 GLY 19 11.730 -7.005 15.352 871 2HA GLY 19 HA1 GLY 19 12.036 -8.262 14.157 872 H ARG 20 HN ARG 20 14.037 -5.793 13.262 873 HA ARG 20 HA ARG 20 16.408 -7.155 14.062 874 1HB ARG 20 HB2 ARG 20 16.257 -5.441 12.220 875 2HB ARG 20 HB1 ARG 20 16.179 -4.193 13.466 876 1HG ARG 20 HG2 ARG 20 18.350 -5.035 14.385 877 2HG ARG 20 HG1 ARG 20 18.439 -6.172 13.041 878 1HD ARG 20 HD2 ARG 20 19.750 -4.265 12.418 879 2HD ARG 20 HD1 ARG 20 18.251 -4.171 11.487 880 HE ARG 20 HE ARG 20 17.683 -2.685 13.738 881 1HH1 ARG 20 HH21 ARG 20 20.214 -2.781 11.404 882 2HH1 ARG 20 HH22 ARG 20 20.554 -1.086 11.504 883 1HH2 ARG 20 HH11 ARG 20 18.123 -0.474 13.903 884 2HH2 ARG 20 HH12 ARG 20 19.371 0.221 12.927 885 H GLU 21 HN GLU 21 14.704 -4.395 15.536 886 HA GLU 21 HA GLU 21 16.599 -4.471 17.839 887 1HB GLU 21 HB2 GLU 21 14.358 -2.478 17.471 888 2HB GLU 21 HB1 GLU 21 15.843 -2.308 18.401 889 1HG GLU 21 HG2 GLU 21 16.505 -1.101 16.549 890 2HG GLU 21 HG1 GLU 21 16.939 -2.699 15.951 891 H GLY 22 HN GLY 22 15.564 -4.262 20.034 892 1HA GLY 22 HA2 GLY 22 13.806 -6.409 20.570 893 2HA GLY 22 HA1 GLY 22 14.107 -5.073 21.682 894 H ASP 23 HN ASP 23 13.116 -3.277 19.314 895 HA ASP 23 HA ASP 23 10.307 -3.266 20.213 896 1HB ASP 23 HB2 ASP 23 11.872 -1.498 18.306 897 2HB ASP 23 HB1 ASP 23 10.163 -1.264 18.674 898 H LYS 24 HN LYS 24 9.126 -4.891 19.270 899 HA LYS 24 HA LYS 24 9.412 -5.345 16.321 900 1HB LYS 24 HB2 LYS 24 8.309 -7.512 16.767 901 2HB LYS 24 HB1 LYS 24 9.783 -7.330 17.718 902 1HG LYS 24 HG2 LYS 24 8.289 -6.448 19.605 903 2HG LYS 24 HG1 LYS 24 6.920 -7.015 18.652 904 1HD LYS 24 HD2 LYS 24 7.303 -8.900 19.965 905 2HD LYS 24 HD1 LYS 24 8.319 -9.282 18.578 906 1HE LYS 24 HE2 LYS 24 9.642 -9.675 20.551 907 2HE LYS 24 HE1 LYS 24 10.246 -8.189 19.822 908 1HZ LYS 24 HZ2 LYS 24 8.364 -7.208 21.407 909 2HZ LYS 24 HZ1 LYS 24 8.801 -8.579 22.311 910 3HZ LYS 24 HZ3 LYS 24 9.974 -7.423 21.906 911 H HIS 25 HN HIS 25 7.293 -4.079 18.732 912 HA HIS 25 HA HIS 25 4.911 -4.379 16.966 913 1HB HIS 25 HB2 HIS 25 4.832 -4.908 19.451 914 2HB HIS 25 HB1 HIS 25 5.000 -3.176 19.737 915 HD1 HIS 25 HD1 HIS 25 3.076 -4.202 16.731 916 HD2 HIS 25 HD2 HIS 25 2.253 -3.155 20.683 917 HE1 HIS 25 HE1 HIS 25 0.580 -3.780 16.855 918 HE2 HIS 25 HE2 HIS 25 0.069 -3.141 19.256 919 H LYS 26 HN LYS 26 7.338 -2.063 17.531 920 HA LYS 26 HA LYS 26 5.691 -0.034 16.135 921 1HB LYS 26 HB2 LYS 26 6.479 1.731 17.803 922 2HB LYS 26 HB1 LYS 26 5.221 0.634 18.369 923 1HG LYS 26 HG2 LYS 26 6.927 -0.750 19.493 924 2HG LYS 26 HG1 LYS 26 8.188 0.350 18.929 925 1HD LYS 26 HD2 LYS 26 7.301 2.167 20.219 926 2HD LYS 26 HD1 LYS 26 5.832 1.267 20.595 927 1HE LYS 26 HE2 LYS 26 7.129 -0.352 21.900 928 2HE LYS 26 HE1 LYS 26 8.624 0.486 21.487 929 1HZ LYS 26 HZ1 LYS 26 6.599 2.203 22.599 930 2HZ LYS 26 HZ3 LYS 26 7.108 0.987 23.667 931 3HZ LYS 26 HZ2 LYS 26 8.244 2.061 23.002 932 H LEU 27 HN LEU 27 6.987 1.755 15.301 933 HA LEU 27 HA LEU 27 9.805 0.911 14.740 934 1HB LEU 27 HB2 LEU 27 7.750 1.510 13.004 935 2HB LEU 27 HB1 LEU 27 8.542 3.075 13.121 936 HG LEU 27 HG LEU 27 10.748 1.699 12.709 937 1HD1 LEU 27 HD13 LEU 27 9.665 -0.525 12.921 938 2HD1 LEU 27 HD12 LEU 27 8.633 -0.145 11.545 939 3HD1 LEU 27 HD11 LEU 27 10.374 -0.310 11.320 940 1HD2 LEU 27 HD23 LEU 27 8.625 2.376 10.663 941 2HD2 LEU 27 HD22 LEU 27 10.084 3.281 11.065 942 3HD2 LEU 27 HD21 LEU 27 10.207 1.767 10.171 943 H LYS 28 HN LYS 28 11.472 2.255 15.354 944 HA LYS 28 HA LYS 28 10.750 4.658 16.941 945 1HB LYS 28 HB2 LYS 28 13.307 3.062 16.658 946 2HB LYS 28 HB1 LYS 28 13.228 4.577 17.553 947 1HG LYS 28 HG2 LYS 28 11.295 2.336 18.157 948 2HG LYS 28 HG1 LYS 28 12.911 2.339 18.859 949 1HD LYS 28 HD2 LYS 28 12.462 4.635 19.765 950 2HD LYS 28 HD1 LYS 28 10.808 4.509 19.177 951 1HE LYS 28 HE2 LYS 28 12.037 2.477 21.045 952 2HE LYS 28 HE1 LYS 28 11.126 3.881 21.607 953 1HZ LYS 28 HZ1 LYS 28 9.821 2.385 19.520 954 2HZ LYS 28 HZ3 LYS 28 10.041 1.507 20.955 955 3HZ LYS 28 HZ2 LYS 28 9.199 2.982 20.983 956 H LYS 29 HN LYS 29 12.223 6.561 16.750 957 HA LYS 29 HA LYS 29 12.060 7.691 14.150 958 1HB LYS 29 HB2 LYS 29 13.870 8.517 16.438 959 2HB LYS 29 HB1 LYS 29 13.382 9.531 15.081 960 1HG LYS 29 HG2 LYS 29 10.995 9.239 15.792 961 2HG LYS 29 HG1 LYS 29 11.571 8.369 17.216 962 1HD LYS 29 HD2 LYS 29 13.070 10.505 17.584 963 2HD LYS 29 HD1 LYS 29 11.903 11.281 16.515 964 1HE LYS 29 HE2 LYS 29 11.000 11.666 18.650 965 2HE LYS 29 HE1 LYS 29 10.113 10.247 18.101 966 1HZ LYS 29 HZ3 LYS 29 12.627 9.930 19.599 967 2HZ LYS 29 HZ2 LYS 29 11.177 10.235 20.428 968 3HZ LYS 29 HZ1 LYS 29 11.326 8.851 19.454 969 H SER 30 HN SER 30 14.845 6.245 15.861 970 HA SER 30 HA SER 30 16.775 6.934 13.852 971 1HB SER 30 HB2 SER 30 18.250 5.417 14.987 972 2HB SER 30 HB1 SER 30 17.264 6.195 16.223 973 HG SER 30 HG SER 30 16.212 4.362 16.554 974 H GLU 31 HN GLU 31 14.773 4.031 14.333 975 HA GLU 31 HA GLU 31 15.961 2.489 12.249 976 1HB GLU 31 HB2 GLU 31 14.396 1.582 13.985 977 2HB GLU 31 HB1 GLU 31 13.066 2.384 13.145 978 1HG GLU 31 HG2 GLU 31 13.438 1.078 11.152 979 2HG GLU 31 HG1 GLU 31 14.938 0.416 11.803 980 H LEU 32 HN LEU 32 13.403 4.936 12.205 981 HA LEU 32 HA LEU 32 12.504 4.502 9.551 982 1HB LEU 32 HB2 LEU 32 11.330 5.976 11.135 983 2HB LEU 32 HB1 LEU 32 12.683 7.102 11.105 984 HG LEU 32 HG LEU 32 12.307 7.513 8.704 985 1HD1 LEU 32 HD13 LEU 32 10.208 5.379 9.097 986 2HD1 LEU 32 HD12 LEU 32 10.012 6.595 7.835 987 3HD1 LEU 32 HD11 LEU 32 11.408 5.526 7.814 988 1HD2 LEU 32 HD22 LEU 32 11.117 8.884 10.398 989 2HD2 LEU 32 HD21 LEU 32 10.161 8.704 8.927 990 3HD2 LEU 32 HD23 LEU 32 9.769 7.747 10.355 991 H LYS 33 HN LYS 33 15.174 6.548 10.760 992 HA LYS 33 HA LYS 33 15.900 7.690 8.245 993 1HB LYS 33 HB2 LYS 33 16.820 8.423 10.454 994 2HB LYS 33 HB1 LYS 33 17.745 6.924 10.524 995 1HG LYS 33 HG2 LYS 33 18.948 7.522 8.476 996 2HG LYS 33 HG1 LYS 33 17.965 8.972 8.298 997 1HD LYS 33 HD2 LYS 33 19.894 9.835 9.304 998 2HD LYS 33 HD1 LYS 33 18.857 9.561 10.700 999 1HE LYS 33 HE2 LYS 33 20.918 8.612 11.347 1000 2HE LYS 33 HE1 LYS 33 19.987 7.218 10.809 1001 1HZ LYS 33 HZ1 LYS 33 21.864 8.732 9.085 1002 2HZ LYS 33 HZ3 LYS 33 22.265 7.300 9.904 1003 3HZ LYS 33 HZ2 LYS 33 21.065 7.284 8.699 1004 H GLU 34 HN GLU 34 16.894 4.666 9.828 1005 HA GLU 34 HA GLU 34 18.816 3.846 7.891 1006 1HB GLU 34 HB2 GLU 34 17.058 2.294 9.798 1007 2HB GLU 34 HB1 GLU 34 18.272 1.516 8.779 1008 1HG GLU 34 HG2 GLU 34 20.021 2.943 9.771 1009 2HG GLU 34 HG1 GLU 34 18.811 3.724 10.791 1010 H LEU 35 HN LEU 35 15.305 3.301 8.063 1011 HA LEU 35 HA LEU 35 15.119 1.459 5.914 1012 1HB LEU 35 HB2 LEU 35 13.249 1.993 7.470 1013 2HB LEU 35 HB1 LEU 35 13.119 3.589 6.742 1014 HG LEU 35 HG LEU 35 12.700 2.435 4.515 1015 1HD1 LEU 35 HD13 LEU 35 12.676 0.042 6.361 1016 2HD1 LEU 35 HD12 LEU 35 11.760 0.047 4.858 1017 3HD1 LEU 35 HD11 LEU 35 13.511 0.229 4.820 1018 1HD2 LEU 35 HD23 LEU 35 10.900 3.403 5.924 1019 2HD2 LEU 35 HD22 LEU 35 10.352 1.982 5.036 1020 3HD2 LEU 35 HD21 LEU 35 10.736 1.855 6.752 1021 H ILE 36 HN ILE 36 14.834 5.027 5.889 1022 HA ILE 36 HA ILE 36 14.525 5.246 3.044 1023 HB ILE 36 HB ILE 36 15.646 7.246 5.035 1024 1HG1 ILE 36 HG12 ILE 36 12.858 7.061 3.861 1025 2HG1 ILE 36 HG11 ILE 36 13.287 6.358 5.420 1026 1HG2 ILE 36 HG21 ILE 36 14.680 7.508 2.176 1027 2HG2 ILE 36 HG23 ILE 36 14.851 8.887 3.264 1028 3HG2 ILE 36 HG22 ILE 36 16.267 7.934 2.817 1029 1HD1 ILE 36 HD13 ILE 36 13.682 9.278 4.700 1030 2HD1 ILE 36 HD12 ILE 36 12.306 8.657 5.612 1031 3HD1 ILE 36 HD11 ILE 36 13.932 8.540 6.282 1032 H ASN 37 HN ASN 37 17.368 5.288 5.163 1033 HA ASN 37 HA ASN 37 19.262 5.895 3.082 1034 1HB ASN 37 HB2 ASN 37 19.643 6.162 5.563 1035 2HB ASN 37 HB1 ASN 37 19.799 4.408 5.662 1036 1HD2 ASN 37 HD22 ASN 37 22.606 5.569 3.030 1037 2HD2 ASN 37 HD21 ASN 37 20.952 5.548 2.654 1038 H ASN 38 HN ASN 38 17.703 2.918 4.052 1039 HA ASN 38 HA ASN 38 19.564 0.982 3.294 1040 1HB ASN 38 HB2 ASN 38 17.149 0.659 4.138 1041 2HB ASN 38 HB1 ASN 38 16.670 0.787 2.445 1042 1HD2 ASN 38 HD22 ASN 38 18.232 -2.325 1.520 1043 2HD2 ASN 38 HD21 ASN 38 17.829 -0.792 0.915 1044 H GLU 39 HN GLU 39 16.969 1.849 0.977 1045 HA GLU 39 HA GLU 39 18.894 2.523 -1.102 1046 1HB GLU 39 HB2 GLU 39 18.860 -0.082 -0.856 1047 2HB GLU 39 HB1 GLU 39 17.291 0.025 -1.648 1048 1HG GLU 39 HG2 GLU 39 18.903 -0.311 -3.391 1049 2HG GLU 39 HG1 GLU 39 18.443 1.391 -3.471 1050 H LEU 40 HN LEU 40 16.238 3.299 0.255 1051 HA LEU 40 HA LEU 40 14.402 3.348 -2.076 1052 1HB LEU 40 HB2 LEU 40 14.083 4.447 0.736 1053 2HB LEU 40 HB1 LEU 40 12.816 4.375 -0.490 1054 HG LEU 40 HG LEU 40 14.299 1.965 0.604 1055 1HD1 LEU 40 HD11 LEU 40 12.802 3.146 2.248 1056 2HD1 LEU 40 HD13 LEU 40 11.455 2.856 1.149 1057 3HD1 LEU 40 HD12 LEU 40 12.302 1.494 1.884 1058 1HD2 LEU 40 HD21 LEU 40 12.170 2.369 -1.489 1059 2HD2 LEU 40 HD23 LEU 40 13.544 1.264 -1.487 1060 3HD2 LEU 40 HD22 LEU 40 12.124 0.903 -0.511 1061 H SER 41 HN SER 41 17.048 4.991 -1.341 1062 HA SER 41 HA SER 41 16.333 7.735 -1.295 1063 1HB SER 41 HB2 SER 41 18.608 8.176 -1.968 1064 2HB SER 41 HB1 SER 41 18.632 6.782 -0.894 1065 HG SER 41 HG SER 41 18.535 5.498 -2.873 1066 H HIS 42 HN HIS 42 15.967 5.440 -3.801 1067 HA HIS 42 HA HIS 42 16.377 7.045 -6.114 1068 1HB HIS 42 HB2 HIS 42 15.994 4.615 -6.230 1069 2HB HIS 42 HB1 HIS 42 14.340 4.842 -5.663 1070 HD1 HIS 42 HD1 HIS 42 12.646 5.049 -7.464 1071 HD2 HIS 42 HD2 HIS 42 16.422 6.223 -8.794 1072 HE1 HIS 42 HE1 HIS 42 12.395 5.619 -9.920 1073 HE2 HIS 42 HE2 HIS 42 14.681 6.358 -10.734 1074 H PHE 43 HN PHE 43 13.419 6.531 -4.178 1075 HA PHE 43 HA PHE 43 11.844 8.371 -5.748 1076 1HB PHE 43 HB2 PHE 43 11.482 7.253 -2.957 1077 2HB PHE 43 HB1 PHE 43 10.295 8.291 -3.750 1078 HD1 PHE 43 HD2 PHE 43 9.217 7.550 -5.890 1079 HD2 PHE 43 HD1 PHE 43 11.719 4.946 -3.564 1080 HE1 PHE 43 HE2 PHE 43 8.299 5.589 -7.098 1081 HE2 PHE 43 HE1 PHE 43 10.804 2.985 -4.774 1082 HZ PHE 43 HZ PHE 43 9.092 3.307 -6.540 1083 H LEU 44 HN LEU 44 13.723 8.671 -2.750 1084 HA LEU 44 HA LEU 44 13.440 11.659 -2.934 1085 1HB LEU 44 HB2 LEU 44 13.699 9.928 -0.453 1086 2HB LEU 44 HB1 LEU 44 13.647 11.687 -0.461 1087 HG LEU 44 HG LEU 44 11.434 9.992 -1.651 1088 1HD1 LEU 44 HD12 LEU 44 11.781 11.023 1.176 1089 2HD1 LEU 44 HD11 LEU 44 10.219 10.540 0.514 1090 3HD1 LEU 44 HD13 LEU 44 11.518 9.355 0.664 1091 1HD2 LEU 44 HD21 LEU 44 11.738 12.901 -0.856 1092 2HD2 LEU 44 HD23 LEU 44 11.268 12.242 -2.422 1093 3HD2 LEU 44 HD22 LEU 44 10.154 12.160 -1.063 1094 H GLU 45 HN GLU 45 15.371 12.725 -3.115 1095 HA GLU 45 HA GLU 45 17.877 11.300 -2.275 1096 1HB GLU 45 HB2 GLU 45 17.376 11.420 -4.843 1097 2HB GLU 45 HB1 GLU 45 17.787 13.127 -4.683 1098 1HG GLU 45 HG2 GLU 45 19.981 12.525 -3.741 1099 2HG GLU 45 HG1 GLU 45 19.571 10.814 -3.854 1100 H GLU 46 HN GLU 46 16.135 13.434 -1.031 1101 HA GLU 46 HA GLU 46 17.982 15.777 -1.088 1102 1HB GLU 46 HB2 GLU 46 15.368 15.879 -1.348 1103 2HB GLU 46 HB1 GLU 46 15.366 15.716 0.406 1104 1HG GLU 46 HG2 GLU 46 15.403 18.054 0.074 1105 2HG GLU 46 HG1 GLU 46 17.095 17.660 0.379 1106 H ILE 47 HN ILE 47 18.112 13.031 0.555 1107 HA ILE 47 HA ILE 47 18.014 13.953 3.309 1108 HB ILE 47 HB ILE 47 19.492 11.553 2.191 1109 1HG1 ILE 47 HG12 ILE 47 17.159 11.426 1.510 1110 2HG1 ILE 47 HG11 ILE 47 17.431 10.289 2.825 1111 1HG2 ILE 47 HG22 ILE 47 18.444 12.215 4.961 1112 2HG2 ILE 47 HG21 ILE 47 19.137 10.662 4.491 1113 3HG2 ILE 47 HG23 ILE 47 20.139 12.113 4.478 1114 1HD1 ILE 47 HD11 ILE 47 16.645 12.294 4.350 1115 2HD1 ILE 47 HD13 ILE 47 15.928 12.891 2.854 1116 3HD1 ILE 47 HD12 ILE 47 15.450 11.322 3.498 1117 H LYS 48 HN LYS 48 19.564 15.072 4.388 1118 HA LYS 48 HA LYS 48 22.403 14.753 3.767 1119 1HB LYS 48 HB2 LYS 48 22.431 17.462 3.563 1120 2HB LYS 48 HB1 LYS 48 22.323 16.408 2.154 1121 1HG LYS 48 HG2 LYS 48 19.994 16.706 1.951 1122 2HG LYS 48 HG1 LYS 48 19.834 17.322 3.590 1123 1HD LYS 48 HD2 LYS 48 19.654 19.182 2.033 1124 2HD LYS 48 HD1 LYS 48 21.169 19.328 2.925 1125 1HE LYS 48 HE2 LYS 48 21.124 17.881 0.281 1126 2HE LYS 48 HE1 LYS 48 21.191 19.641 0.323 1127 1HZ LYS 48 HZ1 LYS 48 23.042 18.073 1.987 1128 2HZ LYS 48 HZ3 LYS 48 23.370 18.279 0.335 1129 3HZ LYS 48 HZ2 LYS 48 23.229 19.635 1.350 1130 H GLU 49 HN GLU 49 20.227 17.164 5.303 1131 HA GLU 49 HA GLU 49 21.915 17.010 7.764 1132 1HB GLU 49 HB2 GLU 49 19.842 19.018 6.821 1133 2HB GLU 49 HB1 GLU 49 20.581 19.060 8.421 1134 1HG GLU 49 HG2 GLU 49 22.818 19.240 7.388 1135 2HG GLU 49 HG1 GLU 49 22.081 19.200 5.786 1136 H GLN 50 HN GLN 50 20.823 16.701 9.817 1137 HA GLN 50 HA GLN 50 18.857 14.647 9.811 1138 1HB GLN 50 HB2 GLN 50 19.765 16.556 11.975 1139 2HB GLN 50 HB1 GLN 50 18.615 15.250 12.272 1140 1HG GLN 50 HG2 GLN 50 20.228 13.585 11.580 1141 2HG GLN 50 HG1 GLN 50 21.358 14.832 11.051 1142 1HE2 GLN 50 HE22 GLN 50 21.134 13.842 14.995 1143 2HE2 GLN 50 HE21 GLN 50 20.074 13.150 13.865 1144 H GLU 51 HN GLU 51 18.511 18.140 9.817 1145 HA GLU 51 HA GLU 51 15.846 18.318 10.769 1146 1HB GLU 51 HB2 GLU 51 15.794 20.504 9.835 1147 2HB GLU 51 HB1 GLU 51 17.481 20.226 10.256 1148 1HG GLU 51 HG2 GLU 51 17.697 21.059 8.081 1149 2HG GLU 51 HG1 GLU 51 17.656 19.324 7.774 1150 H VAL 52 HN VAL 52 17.074 17.447 7.567 1151 HA VAL 52 HA VAL 52 14.630 17.690 6.124 1152 HB VAL 52 HB VAL 52 16.974 15.796 5.783 1153 1HG1 VAL 52 HG13 VAL 52 14.536 16.237 4.041 1154 2HG1 VAL 52 HG12 VAL 52 16.035 15.537 3.429 1155 3HG1 VAL 52 HG11 VAL 52 15.131 14.710 4.696 1156 1HG2 VAL 52 HG21 VAL 52 16.111 18.316 4.332 1157 2HG2 VAL 52 HG23 VAL 52 17.456 18.186 5.465 1158 3HG2 VAL 52 HG22 VAL 52 17.518 17.334 3.922 1159 H VAL 53 HN VAL 53 15.995 14.910 7.905 1160 HA VAL 53 HA VAL 53 13.851 13.114 7.384 1161 HB VAL 53 HB VAL 53 15.765 13.326 9.728 1162 1HG1 VAL 53 HG12 VAL 53 13.626 11.289 9.094 1163 2HG1 VAL 53 HG11 VAL 53 15.052 10.853 10.036 1164 3HG1 VAL 53 HG13 VAL 53 13.952 12.098 10.627 1165 1HG2 VAL 53 HG21 VAL 53 15.660 11.665 7.197 1166 2HG2 VAL 53 HG23 VAL 53 16.917 12.795 7.700 1167 3HG2 VAL 53 HG22 VAL 53 16.711 11.265 8.553 1168 H ASP 54 HN ASP 54 14.348 15.425 10.052 1169 HA ASP 54 HA ASP 54 11.973 14.783 11.490 1170 1HB ASP 54 HB2 ASP 54 13.835 16.192 12.379 1171 2HB ASP 54 HB1 ASP 54 13.329 17.488 11.291 1172 H LYS 55 HN LYS 55 12.554 17.260 8.977 1173 HA LYS 55 HA LYS 55 9.916 18.339 8.956 1174 1HB LYS 55 HB2 LYS 55 11.958 19.284 7.775 1175 2HB LYS 55 HB1 LYS 55 11.726 18.044 6.542 1176 1HG LYS 55 HG2 LYS 55 9.431 18.897 6.137 1177 2HG LYS 55 HG1 LYS 55 9.707 20.164 7.334 1178 1HD LYS 55 HD2 LYS 55 11.667 20.940 5.984 1179 2HD LYS 55 HD1 LYS 55 11.237 19.758 4.749 1180 1HE LYS 55 HE2 LYS 55 9.777 22.252 5.573 1181 2HE LYS 55 HE1 LYS 55 10.148 21.664 3.952 1182 1HZ LYS 55 HZ2 LYS 55 8.555 19.864 4.296 1183 2HZ LYS 55 HZ1 LYS 55 8.174 20.482 5.832 1184 3HZ LYS 55 HZ3 LYS 55 7.814 21.386 4.442 1185 H VAL 56 HN VAL 56 11.373 15.661 7.156 1186 HA VAL 56 HA VAL 56 9.009 15.009 5.640 1187 HB VAL 56 HB VAL 56 11.504 13.436 6.329 1188 1HG1 VAL 56 HG13 VAL 56 9.110 12.698 4.634 1189 2HG1 VAL 56 HG12 VAL 56 10.693 11.963 4.386 1190 3HG1 VAL 56 HG11 VAL 56 9.860 11.760 5.925 1191 1HG2 VAL 56 HG21 VAL 56 10.529 14.808 3.802 1192 2HG2 VAL 56 HG23 VAL 56 11.834 15.366 4.848 1193 3HG2 VAL 56 HG22 VAL 56 12.016 13.869 3.934 1194 H MET 57 HN MET 57 10.355 13.826 8.709 1195 HA MET 57 HA MET 57 8.574 11.656 9.090 1196 1HB MET 57 HB2 MET 57 10.594 12.123 10.483 1197 2HB MET 57 HB1 MET 57 9.721 13.462 11.233 1198 1HG MET 57 HG2 MET 57 7.979 11.900 12.011 1199 2HG MET 57 HG1 MET 57 8.845 10.560 11.260 1200 1HE MET 57 HE1 MET 57 7.953 10.124 13.646 1201 2HE MET 57 HE3 MET 57 9.397 9.167 14.007 1202 3HE MET 57 HE2 MET 57 8.860 10.418 15.125 1203 H GLU 58 HN GLU 58 8.209 15.089 9.916 1204 HA GLU 58 HA GLU 58 5.748 14.810 11.338 1205 1HB GLU 58 HB2 GLU 58 7.157 16.862 11.376 1206 2HB GLU 58 HB1 GLU 58 6.696 17.182 9.704 1207 1HG GLU 58 HG2 GLU 58 4.326 17.297 10.369 1208 2HG GLU 58 HG1 GLU 58 4.774 16.958 12.041 1209 H THR 59 HN THR 59 6.473 15.127 7.895 1210 HA THR 59 HA THR 59 3.864 15.712 6.966 1211 HB THR 59 HB THR 59 5.991 14.054 5.580 1212 HG1 THR 59 HG1 THR 59 6.745 16.002 4.867 1213 1HG2 THR 59 HG23 THR 59 3.766 13.963 4.490 1214 2HG2 THR 59 HG22 THR 59 3.709 15.724 4.479 1215 3HG2 THR 59 HG21 THR 59 4.919 14.876 3.519 1216 H LEU 60 HN LEU 60 5.370 12.475 7.475 1217 HA LEU 60 HA LEU 60 2.854 11.195 6.678 1218 1HB LEU 60 HB2 LEU 60 4.106 9.320 6.395 1219 2HB LEU 60 HB1 LEU 60 5.486 10.374 6.637 1220 HG LEU 60 HG LEU 60 4.114 8.820 8.868 1221 1HD1 LEU 60 HD12 LEU 60 6.483 8.192 7.116 1222 2HD1 LEU 60 HD11 LEU 60 6.301 7.482 8.721 1223 3HD1 LEU 60 HD13 LEU 60 5.083 7.184 7.483 1224 1HD2 LEU 60 HD21 LEU 60 6.511 10.648 8.700 1225 2HD2 LEU 60 HD23 LEU 60 5.257 10.577 9.934 1226 3HD2 LEU 60 HD22 LEU 60 6.504 9.338 9.879 1227 H ASP 61 HN ASP 61 3.913 12.626 9.529 1228 HA ASP 61 HA ASP 61 2.642 10.779 11.396 1229 1HB ASP 61 HB2 ASP 61 3.608 13.637 11.642 1230 2HB ASP 61 HB1 ASP 61 2.869 12.758 12.982 1231 H GLU 62 HN GLU 62 0.463 10.554 11.539 1232 HA GLU 62 HA GLU 62 -1.298 12.730 10.548 1233 1HB GLU 62 HB2 GLU 62 -1.894 9.885 11.418 1234 2HB GLU 62 HB1 GLU 62 -3.086 11.012 10.773 1235 1HG GLU 62 HG2 GLU 62 -0.584 10.138 9.297 1236 2HG GLU 62 HG1 GLU 62 -2.188 9.449 9.039 1237 H ASP 63 HN ASP 63 -0.738 10.803 13.487 1238 HA ASP 63 HA ASP 63 -2.557 12.620 15.008 1239 1HB ASP 63 HB2 ASP 63 -2.437 10.898 16.770 1240 2HB ASP 63 HB1 ASP 63 -2.972 10.207 15.237 1241 H GLY 64 HN GLY 64 0.642 12.517 14.213 1242 1HA GLY 64 HA2 GLY 64 2.598 13.340 15.238 1243 2HA GLY 64 HA1 GLY 64 1.493 14.481 16.008 1244 H ASP 65 HN ASP 65 2.001 10.956 16.355 1245 HA ASP 65 HA ASP 65 1.714 11.212 19.270 1246 1HB ASP 65 HB2 ASP 65 1.886 8.750 19.250 1247 2HB ASP 65 HB1 ASP 65 0.692 9.312 18.080 1248 H GLY 66 HN GLY 66 4.271 11.507 17.105 1249 1HA GLY 66 HA2 GLY 66 6.531 11.976 17.731 1250 2HA GLY 66 HA1 GLY 66 6.217 11.281 19.321 1251 H GLU 67 HN GLU 67 4.910 9.046 17.398 1252 HA GLU 67 HA GLU 67 7.459 7.667 16.683 1253 1HB GLU 67 HB2 GLU 67 6.782 5.637 17.820 1254 2HB GLU 67 HB1 GLU 67 6.734 6.958 18.983 1255 1HG GLU 67 HG2 GLU 67 4.287 7.171 18.627 1256 2HG GLU 67 HG1 GLU 67 4.341 5.807 17.510 1257 H CYS 68 HN CYS 68 7.075 5.862 15.164 1258 HA CYS 68 HA CYS 68 4.577 6.284 13.552 1259 1HB CYS 68 HB2 CYS 68 6.205 5.146 11.759 1260 2HB CYS 68 HB1 CYS 68 6.275 6.878 12.086 1261 HG CYS 68 HG CYS 68 8.707 6.012 12.343 1262 H ASP 69 HN ASP 69 3.173 4.667 13.915 1263 HA ASP 69 HA ASP 69 4.136 1.969 14.654 1264 1HB ASP 69 HB2 ASP 69 1.378 3.208 14.485 1265 2HB ASP 69 HB1 ASP 69 1.648 1.503 14.853 1266 H PHE 70 HN PHE 70 2.540 0.208 13.532 1267 HA PHE 70 HA PHE 70 3.431 -0.032 10.848 1268 1HB PHE 70 HB2 PHE 70 2.729 -1.960 12.195 1269 2HB PHE 70 HB1 PHE 70 1.070 -1.364 12.206 1270 HD1 PHE 70 HD1 PHE 70 3.738 -2.848 10.128 1271 HD2 PHE 70 HD2 PHE 70 -0.330 -1.472 10.229 1272 HE1 PHE 70 HE1 PHE 70 3.304 -3.963 7.954 1273 HE2 PHE 70 HE2 PHE 70 -0.762 -2.584 8.057 1274 HZ PHE 70 HZ PHE 70 1.054 -3.829 6.918 1275 H GLN 71 HN GLN 71 0.324 1.160 12.131 1276 HA GLN 71 HA GLN 71 -1.008 1.391 9.627 1277 1HB GLN 71 HB2 GLN 71 -2.091 1.651 11.877 1278 2HB GLN 71 HB1 GLN 71 -1.321 3.231 12.020 1279 1HG GLN 71 HG2 GLN 71 -3.052 2.527 9.645 1280 2HG GLN 71 HG1 GLN 71 -3.743 3.177 11.131 1281 1HE2 GLN 71 HE22 GLN 71 -1.837 6.320 10.711 1282 2HE2 GLN 71 HE21 GLN 71 -2.051 5.156 11.926 1283 H GLU 72 HN GLU 72 1.087 3.721 11.346 1284 HA GLU 72 HA GLU 72 0.780 5.820 9.418 1285 1HB GLU 72 HB2 GLU 72 2.994 5.237 11.398 1286 2HB GLU 72 HB1 GLU 72 2.946 6.686 10.394 1287 1HG GLU 72 HG2 GLU 72 0.647 7.160 11.329 1288 2HG GLU 72 HG1 GLU 72 0.901 5.827 12.458 1289 H PHE 73 HN PHE 73 2.994 3.069 9.606 1290 HA PHE 73 HA PHE 73 4.828 3.867 7.591 1291 1HB PHE 73 HB2 PHE 73 5.363 1.944 8.905 1292 2HB PHE 73 HB1 PHE 73 3.845 1.149 8.495 1293 HD1 PHE 73 HD2 PHE 73 6.994 2.462 6.958 1294 HD2 PHE 73 HD1 PHE 73 3.745 -0.331 6.669 1295 HE1 PHE 73 HE2 PHE 73 8.089 1.387 5.011 1296 HE2 PHE 73 HE1 PHE 73 4.839 -1.404 4.719 1297 HZ PHE 73 HZ PHE 73 7.013 -0.544 3.891 1298 H MET 74 HN MET 74 1.669 2.253 7.336 1299 HA MET 74 HA MET 74 1.743 1.751 4.529 1300 1HB MET 74 HB2 MET 74 -0.593 2.367 6.361 1301 2HB MET 74 HB1 MET 74 -0.771 1.830 4.694 1302 1HG MET 74 HG2 MET 74 0.723 0.296 6.840 1303 2HG MET 74 HG1 MET 74 -0.933 -0.043 6.347 1304 1HE MET 74 HE1 MET 74 -1.696 -1.184 4.455 1305 2HE MET 74 HE3 MET 74 -1.194 0.038 3.280 1306 3HE MET 74 HE2 MET 74 -0.809 -1.658 3.011 1307 H ALA 75 HN ALA 75 0.850 4.627 6.391 1308 HA ALA 75 HA ALA 75 -0.231 6.170 4.274 1309 1HB ALA 75 HB2 ALA 75 -0.253 6.778 6.715 1310 2HB ALA 75 HB1 ALA 75 1.453 7.203 6.574 1311 3HB ALA 75 HB3 ALA 75 0.242 8.104 5.662 1312 H PHE 76 HN PHE 76 3.157 5.715 5.288 1313 HA PHE 76 HA PHE 76 4.313 7.635 3.529 1314 1HB PHE 76 HB2 PHE 76 5.607 6.527 5.311 1315 2HB PHE 76 HB1 PHE 76 5.473 4.990 4.455 1316 HD1 PHE 76 HD2 PHE 76 6.998 8.354 4.415 1317 HD2 PHE 76 HD1 PHE 76 6.720 4.561 2.418 1318 HE1 PHE 76 HE2 PHE 76 8.972 8.936 3.029 1319 HE2 PHE 76 HE1 PHE 76 8.691 5.144 1.032 1320 HZ PHE 76 HZ PHE 76 9.818 7.331 1.339 1321 H VAL 77 HN VAL 77 3.431 4.229 2.999 1322 HA VAL 77 HA VAL 77 4.585 3.969 0.416 1323 HB VAL 77 HB VAL 77 2.149 2.660 1.648 1324 1HG1 VAL 77 HG13 VAL 77 3.509 2.221 -1.012 1325 2HG1 VAL 77 HG12 VAL 77 2.647 0.911 -0.203 1326 3HG1 VAL 77 HG11 VAL 77 1.786 2.376 -0.671 1327 1HG2 VAL 77 HG21 VAL 77 5.009 1.748 1.211 1328 2HG2 VAL 77 HG23 VAL 77 4.280 2.175 2.759 1329 3HG2 VAL 77 HG22 VAL 77 3.723 0.747 1.884 1330 H SER 78 HN SER 78 1.400 5.145 1.443 1331 HA SER 78 HA SER 78 0.322 5.564 -1.171 1332 1HB SER 78 HB2 SER 78 -1.309 6.977 -0.093 1333 2HB SER 78 HB1 SER 78 -0.964 5.646 1.010 1334 HG SER 78 HG SER 78 0.662 7.882 1.218 1335 H MET 79 HN MET 79 2.314 7.574 0.946 1336 HA MET 79 HA MET 79 2.240 9.991 -0.546 1337 1HB MET 79 HB2 MET 79 3.217 9.654 1.758 1338 2HB MET 79 HB1 MET 79 4.612 8.896 0.995 1339 1HG MET 79 HG2 MET 79 4.886 11.015 -0.374 1340 2HG MET 79 HG1 MET 79 3.655 11.750 0.651 1341 1HE MET 79 HE2 MET 79 3.728 12.177 2.964 1342 2HE MET 79 HE1 MET 79 4.235 10.621 3.619 1343 3HE MET 79 HE3 MET 79 5.105 12.096 4.060 1344 H VAL 80 HN VAL 80 4.360 7.143 -0.871 1345 HA VAL 80 HA VAL 80 6.077 8.308 -2.860 1346 HB VAL 80 HB VAL 80 5.421 5.426 -2.196 1347 1HG1 VAL 80 HG13 VAL 80 7.404 6.604 -4.155 1348 2HG1 VAL 80 HG12 VAL 80 7.593 4.987 -3.478 1349 3HG1 VAL 80 HG11 VAL 80 6.181 5.372 -4.461 1350 1HG2 VAL 80 HG23 VAL 80 6.592 6.734 -0.450 1351 2HG2 VAL 80 HG22 VAL 80 7.638 5.485 -1.126 1352 3HG2 VAL 80 HG21 VAL 80 7.840 7.166 -1.620 1353 H THR 81 HN THR 81 3.134 6.310 -3.122 1354 HA THR 81 HA THR 81 3.235 6.094 -5.984 1355 HB THR 81 HB THR 81 0.895 5.362 -5.791 1356 HG1 THR 81 HG1 THR 81 -0.261 5.924 -4.139 1357 1HG2 THR 81 HG23 THR 81 2.862 3.889 -5.126 1358 2HG2 THR 81 HG22 THR 81 2.475 4.284 -3.452 1359 3HG2 THR 81 HG21 THR 81 1.300 3.427 -4.450 1360 H THR 82 HN THR 82 1.548 8.369 -3.820 1361 HA THR 82 HA THR 82 0.233 9.763 -5.980 1362 HB THR 82 HB THR 82 -0.273 11.464 -4.270 1363 HG1 THR 82 HG1 THR 82 1.392 9.891 -2.605 1364 1HG2 THR 82 HG23 THR 82 -0.491 8.579 -3.380 1365 2HG2 THR 82 HG22 THR 82 -1.349 9.909 -2.602 1366 3HG2 THR 82 HG21 THR 82 -1.688 9.507 -4.284 1367 H ALA 83 HN ALA 83 3.249 10.293 -4.187 1368 HA ALA 83 HA ALA 83 3.875 12.807 -5.455 1369 1HB ALA 83 HB2 ALA 83 5.620 10.769 -4.052 1370 2HB ALA 83 HB1 ALA 83 6.189 12.351 -4.587 1371 3HB ALA 83 HB3 ALA 83 4.932 12.234 -3.355 1372 H CYS 84 HN CYS 84 4.762 9.433 -6.178 1373 HA CYS 84 HA CYS 84 6.605 10.088 -8.283 1374 1HB CYS 84 HB2 CYS 84 6.597 7.764 -8.805 1375 2HB CYS 84 HB1 CYS 84 6.374 7.858 -7.059 1376 HG CYS 84 HG CYS 84 3.972 7.393 -9.016 1377 H HIS 85 HN HIS 85 6.300 10.148 -10.526 1378 HA HIS 85 HA HIS 85 3.629 10.975 -11.404 1379 1HB HIS 85 HB2 HIS 85 6.288 10.711 -12.831 1380 2HB HIS 85 HB1 HIS 85 4.808 11.249 -13.629 1381 HD1 HIS 85 HD1 HIS 85 7.338 12.294 -11.054 1382 HD2 HIS 85 HD2 HIS 85 3.940 13.860 -12.900 1383 HE1 HIS 85 HE1 HIS 85 7.265 14.755 -10.454 1384 HE2 HIS 85 HE2 HIS 85 5.194 15.715 -11.562 1385 H GLU 86 HN GLU 86 2.634 9.988 -13.364 1386 HA GLU 86 HA GLU 86 2.729 7.037 -13.195 1387 1HB GLU 86 HB2 GLU 86 0.937 8.924 -14.756 1388 2HB GLU 86 HB1 GLU 86 0.757 7.168 -14.720 1389 1HG GLU 86 HG2 GLU 86 0.455 7.249 -12.270 1390 2HG GLU 86 HG1 GLU 86 0.628 9.002 -12.309 1391 H PHE 87 HN PHE 87 4.417 9.336 -14.847 1392 HA PHE 87 HA PHE 87 4.364 8.333 -17.537 1393 1HB PHE 87 HB2 PHE 87 5.284 10.583 -16.712 1394 2HB PHE 87 HB1 PHE 87 6.734 9.696 -16.242 1395 HD1 PHE 87 HD2 PHE 87 4.474 10.364 -19.138 1396 HD2 PHE 87 HD1 PHE 87 8.398 9.171 -17.855 1397 HE1 PHE 87 HE2 PHE 87 5.269 10.458 -21.483 1398 HE2 PHE 87 HE1 PHE 87 9.192 9.266 -20.205 1399 HZ PHE 87 HZ PHE 87 7.626 9.909 -22.018 1400 H PHE 88 HN PHE 88 4.950 6.438 -15.110 1401 HA PHE 88 HA PHE 88 7.604 5.387 -15.638 1402 1HB PHE 88 HB2 PHE 88 5.228 4.557 -14.003 1403 2HB PHE 88 HB1 PHE 88 6.415 3.314 -14.389 1404 HD1 PHE 88 HD1 PHE 88 6.336 6.893 -13.224 1405 HD2 PHE 88 HD2 PHE 88 8.173 3.023 -12.878 1406 HE1 PHE 88 HE1 PHE 88 7.806 7.747 -11.419 1407 HE2 PHE 88 HE2 PHE 88 9.640 3.881 -11.076 1408 HZ PHE 88 HZ PHE 88 9.459 6.243 -10.346 1409 H GLU 89 HN GLU 89 4.788 5.329 -17.430 1410 HA GLU 89 HA GLU 89 4.483 2.723 -18.394 1411 1HB GLU 89 HB2 GLU 89 4.080 4.015 -20.702 1412 2HB GLU 89 HB1 GLU 89 2.948 4.183 -19.362 1413 1HG GLU 89 HG2 GLU 89 4.015 6.254 -18.654 1414 2HG GLU 89 HG1 GLU 89 5.260 6.073 -19.892 1415 H HIS 90 HN HIS 90 5.884 4.655 -20.912 1416 HA HIS 90 HA HIS 90 7.867 2.583 -21.442 1417 1HB HIS 90 HB2 HIS 90 6.683 3.982 -23.217 1418 2HB HIS 90 HB1 HIS 90 7.734 5.316 -22.735 1419 HD1 HIS 90 HD1 HIS 90 8.372 1.603 -23.418 1420 HD2 HIS 90 HD2 HIS 90 9.902 5.348 -24.436 1421 HE1 HIS 90 HE1 HIS 90 10.371 1.178 -24.917 1422 HE2 HIS 90 HE2 HIS 90 11.314 3.450 -25.536 1423 H GLU 91 HN GLU 91 10.191 2.918 -21.403 1424 HA GLU 91 HA GLU 91 11.229 4.067 -19.079 1425 1HB GLU 91 HB2 GLU 91 13.420 3.929 -20.119 1426 2HB GLU 91 HB1 GLU 91 12.471 2.532 -20.619 1427 1HG GLU 91 HG2 GLU 91 11.864 3.763 -22.719 1428 2HG GLU 91 HG1 GLU 91 12.968 5.051 -22.234 No H/Q in entry = 1428 Start of MODEL 2 1 1H MET 0 HT1 MET 0 17.514 -3.666 0.967 2 2H MET 0 HT3 MET 0 16.904 -5.087 1.663 3 3H MET 0 HT2 MET 0 18.533 -5.008 1.186 4 HA MET 0 HA MET 0 18.085 -5.364 -0.981 5 1HB MET 0 HB2 MET 0 15.625 -6.403 0.451 6 2HB MET 0 HB1 MET 0 16.018 -6.804 -1.220 7 1HG MET 0 HG2 MET 0 18.183 -7.742 -0.492 8 2HG MET 0 HG1 MET 0 17.794 -7.344 1.181 9 1HE MET 0 HE3 MET 0 15.241 -8.024 2.079 10 2HE MET 0 HE2 MET 0 15.227 -9.764 2.346 11 3HE MET 0 HE1 MET 0 16.666 -8.830 2.749 12 H SER 1 HN SER 1 16.514 -5.062 -2.852 13 HA SER 1 HA SER 1 15.086 -2.447 -2.537 14 1HB SER 1 HB2 SER 1 16.907 -2.563 -4.228 15 2HB SER 1 HB1 SER 1 16.036 -3.853 -5.052 16 HG SER 1 HG SER 1 15.747 -1.475 -5.672 17 H GLU 2 HN GLU 2 14.127 -5.348 -2.002 18 HA GLU 2 HA GLU 2 12.207 -6.067 -3.972 19 1HB GLU 2 HB2 GLU 2 12.292 -6.523 -0.982 20 2HB GLU 2 HB1 GLU 2 11.055 -7.230 -2.024 21 1HG GLU 2 HG2 GLU 2 12.810 -8.317 -3.375 22 2HG GLU 2 HG1 GLU 2 14.048 -7.614 -2.332 23 H LEU 3 HN LEU 3 11.932 -3.871 -1.168 24 HA LEU 3 HA LEU 3 9.125 -3.415 -1.403 25 1HB LEU 3 HB2 LEU 3 11.346 -1.610 -0.403 26 2HB LEU 3 HB1 LEU 3 9.642 -1.181 -0.295 27 HG LEU 3 HG LEU 3 10.623 -3.802 0.833 28 1HD1 LEU 3 HD13 LEU 3 10.933 -1.033 1.990 29 2HD1 LEU 3 HD12 LEU 3 10.630 -2.390 3.071 30 3HD1 LEU 3 HD11 LEU 3 12.057 -2.391 2.038 31 1HD2 LEU 3 HD22 LEU 3 8.098 -2.938 0.540 32 2HD2 LEU 3 HD21 LEU 3 8.589 -3.827 1.977 33 3HD2 LEU 3 HD23 LEU 3 8.466 -2.069 2.024 34 H GLU 4 HN GLU 4 11.897 -1.798 -2.916 35 HA GLU 4 HA GLU 4 10.442 0.253 -4.237 36 1HB GLU 4 HB2 GLU 4 12.926 0.154 -4.064 37 2HB GLU 4 HB1 GLU 4 12.928 -1.179 -5.218 38 1HG GLU 4 HG2 GLU 4 11.854 0.275 -6.902 39 2HG GLU 4 HG1 GLU 4 11.857 1.608 -5.747 40 H LYS 5 HN LYS 5 11.326 -3.027 -5.348 41 HA LYS 5 HA LYS 5 10.073 -2.793 -7.911 42 1HB LYS 5 HB2 LYS 5 11.692 -4.603 -7.261 43 2HB LYS 5 HB1 LYS 5 10.420 -5.323 -6.274 44 1HG LYS 5 HG2 LYS 5 8.981 -5.488 -8.303 45 2HG LYS 5 HG1 LYS 5 10.314 -4.854 -9.269 46 1HD LYS 5 HD2 LYS 5 11.725 -6.766 -8.483 47 2HD LYS 5 HD1 LYS 5 10.306 -7.426 -7.666 48 1HE LYS 5 HE2 LYS 5 10.485 -6.850 -10.638 49 2HE LYS 5 HE1 LYS 5 10.643 -8.446 -9.906 50 1HZ LYS 5 HZ3 LYS 5 8.366 -7.700 -8.821 51 2HZ LYS 5 HZ2 LYS 5 8.272 -6.781 -10.247 52 3HZ LYS 5 HZ1 LYS 5 8.436 -8.469 -10.332 53 H ALA 6 HN ALA 6 8.872 -3.888 -4.751 54 HA ALA 6 HA ALA 6 6.338 -4.823 -5.631 55 1HB ALA 6 HB3 ALA 6 7.297 -5.159 -3.338 56 2HB ALA 6 HB2 ALA 6 6.930 -3.471 -2.985 57 3HB ALA 6 HB1 ALA 6 5.624 -4.605 -3.329 58 H MET 7 HN MET 7 7.385 -1.545 -4.688 59 HA MET 7 HA MET 7 4.807 -0.326 -4.814 60 1HB MET 7 HB2 MET 7 7.567 0.802 -5.377 61 2HB MET 7 HB1 MET 7 6.111 1.790 -5.265 62 1HG MET 7 HG2 MET 7 5.736 0.972 -2.959 63 2HG MET 7 HG1 MET 7 7.195 -0.006 -3.075 64 1HE MET 7 HE3 MET 7 5.550 3.251 -3.351 65 2HE MET 7 HE2 MET 7 6.659 4.468 -2.728 66 3HE MET 7 HE1 MET 7 6.788 3.947 -4.405 67 H VAL 8 HN VAL 8 7.266 -0.922 -7.295 68 HA VAL 8 HA VAL 8 5.978 0.448 -9.443 69 HB VAL 8 HB VAL 8 7.930 -1.871 -9.387 70 1HG1 VAL 8 HG12 VAL 8 6.702 -0.393 -11.725 71 2HG1 VAL 8 HG11 VAL 8 8.271 -1.190 -11.850 72 3HG1 VAL 8 HG13 VAL 8 6.827 -2.135 -11.482 73 1HG2 VAL 8 HG21 VAL 8 8.182 1.082 -10.052 74 2HG2 VAL 8 HG23 VAL 8 8.789 0.290 -8.599 75 3HG2 VAL 8 HG22 VAL 8 9.489 -0.094 -10.171 76 H ALA 9 HN ALA 9 5.674 -2.908 -8.291 77 HA ALA 9 HA ALA 9 4.106 -3.892 -10.438 78 1HB ALA 9 HB2 ALA 9 5.156 -5.162 -8.448 79 2HB ALA 9 HB1 ALA 9 3.679 -4.750 -7.578 80 3HB ALA 9 HB3 ALA 9 3.596 -5.726 -9.045 81 H LEU 10 HN LEU 10 3.005 -2.358 -7.387 82 HA LEU 10 HA LEU 10 0.219 -2.636 -7.911 83 1HB LEU 10 HB2 LEU 10 1.848 -0.707 -6.268 84 2HB LEU 10 HB1 LEU 10 0.118 -0.454 -6.443 85 HG LEU 10 HG LEU 10 0.889 -1.799 -4.398 86 1HD1 LEU 10 HD13 LEU 10 -1.464 -1.800 -5.496 87 2HD1 LEU 10 HD12 LEU 10 -1.017 -3.390 -6.110 88 3HD1 LEU 10 HD11 LEU 10 -1.066 -3.097 -4.376 89 1HD2 LEU 10 HD21 LEU 10 2.523 -3.173 -5.829 90 2HD2 LEU 10 HD23 LEU 10 1.555 -4.057 -4.655 91 3HD2 LEU 10 HD22 LEU 10 1.113 -4.088 -6.359 92 H ILE 11 HN ILE 11 2.471 -0.003 -8.780 93 HA ILE 11 HA ILE 11 0.430 1.593 -10.048 94 HB ILE 11 HB ILE 11 3.445 1.578 -10.340 95 1HG1 ILE 11 HG12 ILE 11 1.602 3.504 -8.891 96 2HG1 ILE 11 HG11 ILE 11 2.407 2.147 -8.103 97 1HG2 ILE 11 HG22 ILE 11 1.318 3.389 -11.495 98 2HG2 ILE 11 HG21 ILE 11 2.965 3.955 -11.232 99 3HG2 ILE 11 HG23 ILE 11 2.661 2.610 -12.328 100 1HD1 ILE 11 HD12 ILE 11 3.810 4.394 -9.578 101 2HD1 ILE 11 HD11 ILE 11 3.700 4.234 -7.825 102 3HD1 ILE 11 HD13 ILE 11 4.601 3.043 -8.765 103 H ASP 12 HN ASP 12 2.827 -0.730 -11.332 104 HA ASP 12 HA ASP 12 2.025 -0.348 -14.077 105 1HB ASP 12 HB2 ASP 12 3.503 -2.591 -12.684 106 2HB ASP 12 HB1 ASP 12 3.221 -2.558 -14.424 107 H VAL 13 HN VAL 13 1.069 -2.686 -11.569 108 HA VAL 13 HA VAL 13 -0.533 -4.300 -13.307 109 HB VAL 13 HB VAL 13 -0.635 -3.843 -10.314 110 1HG1 VAL 13 HG12 VAL 13 -2.280 -5.631 -12.105 111 2HG1 VAL 13 HG11 VAL 13 -1.945 -6.088 -10.436 112 3HG1 VAL 13 HG13 VAL 13 -2.822 -4.598 -10.781 113 1HG2 VAL 13 HG21 VAL 13 1.369 -4.986 -11.432 114 2HG2 VAL 13 HG23 VAL 13 0.552 -5.919 -10.179 115 3HG2 VAL 13 HG22 VAL 13 0.258 -6.277 -11.880 116 H PHE 14 HN PHE 14 -1.332 -1.430 -11.334 117 HA PHE 14 HA PHE 14 -4.144 -1.497 -11.758 118 1HB PHE 14 HB2 PHE 14 -3.078 -0.018 -10.107 119 2HB PHE 14 HB1 PHE 14 -2.351 0.921 -11.411 120 HD1 PHE 14 HD2 PHE 14 -5.496 0.062 -9.685 121 HD2 PHE 14 HD1 PHE 14 -3.698 2.395 -12.815 122 HE1 PHE 14 HE2 PHE 14 -7.567 1.415 -9.866 123 HE2 PHE 14 HE1 PHE 14 -5.772 3.745 -12.998 124 HZ PHE 14 HZ PHE 14 -7.705 3.256 -11.523 125 H HIS 15 HN HIS 15 -1.623 0.202 -13.669 126 HA HIS 15 HA HIS 15 -3.526 1.182 -15.611 127 1HB HIS 15 HB2 HIS 15 -0.547 1.101 -15.368 128 2HB HIS 15 HB1 HIS 15 -1.187 1.272 -17.000 129 HD1 HIS 15 HD1 HIS 15 -0.573 3.169 -13.892 130 HD2 HIS 15 HD2 HIS 15 -2.907 3.627 -17.318 131 HE1 HIS 15 HE1 HIS 15 -1.317 5.594 -13.940 132 HE2 HIS 15 HE2 HIS 15 -2.722 5.885 -16.031 133 H GLN 16 HN GLN 16 -1.608 -1.775 -15.369 134 HA GLN 16 HA GLN 16 -1.880 -2.672 -18.051 135 1HB GLN 16 HB2 GLN 16 -0.455 -3.711 -16.237 136 2HB GLN 16 HB1 GLN 16 -1.929 -4.422 -15.581 137 1HG GLN 16 HG2 GLN 16 -2.314 -5.682 -17.597 138 2HG GLN 16 HG1 GLN 16 -1.019 -4.829 -18.440 139 1HE2 GLN 16 HE22 GLN 16 -0.116 -8.025 -16.130 140 2HE2 GLN 16 HE21 GLN 16 -1.720 -7.540 -16.398 141 H TYR 17 HN TYR 17 -3.982 -3.359 -15.233 142 HA TYR 17 HA TYR 17 -5.930 -4.794 -16.830 143 1HB TYR 17 HB2 TYR 17 -5.846 -3.707 -14.021 144 2HB TYR 17 HB1 TYR 17 -7.365 -4.314 -14.678 145 HD1 TYR 17 HD1 TYR 17 -3.873 -5.227 -13.808 146 HD2 TYR 17 HD2 TYR 17 -7.724 -6.654 -15.056 147 HE1 TYR 17 HE1 TYR 17 -3.162 -7.554 -13.333 148 HE2 TYR 17 HE2 TYR 17 -7.016 -8.981 -14.585 149 HH TYR 17 HH TYR 17 -3.756 -9.829 -14.009 150 H SER 18 HN SER 18 -5.744 -1.463 -15.580 151 HA SER 18 HA SER 18 -8.350 -0.665 -16.415 152 1HB SER 18 HB2 SER 18 -7.641 1.550 -16.000 153 2HB SER 18 HB1 SER 18 -6.665 0.577 -14.903 154 HG SER 18 HG SER 18 -5.444 0.691 -17.266 155 H GLY 19 HN GLY 19 -5.235 -0.612 -18.133 156 1HA GLY 19 HA2 GLY 19 -6.405 0.668 -20.484 157 2HA GLY 19 HA1 GLY 19 -4.776 0.000 -20.373 158 H ARG 20 HN ARG 20 -6.644 -2.390 -19.215 159 HA ARG 20 HA ARG 20 -6.311 -4.084 -21.473 160 1HB ARG 20 HB2 ARG 20 -6.683 -4.841 -19.103 161 2HB ARG 20 HB1 ARG 20 -8.381 -4.397 -19.284 162 1HG ARG 20 HG2 ARG 20 -8.607 -5.940 -21.173 163 2HG ARG 20 HG1 ARG 20 -6.904 -6.372 -21.046 164 1HD ARG 20 HD2 ARG 20 -7.793 -6.827 -18.464 165 2HD ARG 20 HD1 ARG 20 -9.195 -7.301 -19.418 166 HE ARG 20 HE ARG 20 -6.893 -8.873 -19.070 167 1HH1 ARG 20 HH21 ARG 20 -8.695 -7.561 -21.711 168 2HH1 ARG 20 HH22 ARG 20 -8.152 -8.759 -22.832 169 1HH2 ARG 20 HH11 ARG 20 -6.198 -10.430 -20.515 170 2HH2 ARG 20 HH12 ARG 20 -6.742 -10.380 -22.159 171 H GLU 21 HN GLU 21 -9.103 -2.155 -20.391 172 HA GLU 21 HA GLU 21 -10.171 -2.294 -23.152 173 1HB GLU 21 HB2 GLU 21 -11.260 -4.178 -21.951 174 2HB GLU 21 HB1 GLU 21 -11.825 -3.053 -20.717 175 1HG GLU 21 HG2 GLU 21 -13.602 -3.518 -22.367 176 2HG GLU 21 HG1 GLU 21 -13.123 -1.824 -22.426 177 H GLY 22 HN GLY 22 -9.608 -0.040 -23.184 178 1HA GLY 22 HA2 GLY 22 -9.904 2.255 -22.729 179 2HA GLY 22 HA1 GLY 22 -11.610 1.812 -22.706 180 H ASP 23 HN ASP 23 -11.582 3.659 -21.047 181 HA ASP 23 HA ASP 23 -11.614 4.374 -18.802 182 1HB ASP 23 HB2 ASP 23 -12.073 1.393 -18.464 183 2HB ASP 23 HB1 ASP 23 -12.328 2.593 -17.199 184 H LYS 24 HN LYS 24 -9.022 3.983 -19.842 185 HA LYS 24 HA LYS 24 -7.380 2.308 -18.208 186 1HB LYS 24 HB2 LYS 24 -5.509 3.680 -19.068 187 2HB LYS 24 HB1 LYS 24 -6.611 3.200 -20.357 188 1HG LYS 24 HG2 LYS 24 -7.764 5.403 -20.144 189 2HG LYS 24 HG1 LYS 24 -6.559 5.882 -18.947 190 1HD LYS 24 HD2 LYS 24 -4.768 5.548 -20.610 191 2HD LYS 24 HD1 LYS 24 -5.970 5.073 -21.811 192 1HE LYS 24 HE2 LYS 24 -5.454 7.405 -22.176 193 2HE LYS 24 HE1 LYS 24 -7.071 7.318 -21.479 194 1HZ LYS 24 HZ2 LYS 24 -5.322 7.418 -19.348 195 2HZ LYS 24 HZ1 LYS 24 -4.753 8.576 -20.452 196 3HZ LYS 24 HZ3 LYS 24 -6.349 8.657 -19.889 197 H HIS 25 HN HIS 25 -8.543 5.606 -17.782 198 HA HIS 25 HA HIS 25 -6.841 5.981 -15.397 199 1HB HIS 25 HB2 HIS 25 -7.194 7.856 -16.950 200 2HB HIS 25 HB1 HIS 25 -8.931 7.779 -16.657 201 HD1 HIS 25 HD1 HIS 25 -6.210 7.483 -14.026 202 HD2 HIS 25 HD2 HIS 25 -9.234 10.122 -15.160 203 HE1 HIS 25 HE1 HIS 25 -6.316 9.266 -12.229 204 HE2 HIS 25 HE2 HIS 25 -8.153 10.877 -12.909 205 H LYS 26 HN LYS 26 -9.845 4.535 -16.001 206 HA LYS 26 HA LYS 26 -10.554 4.765 -13.100 207 1HB LYS 26 HB2 LYS 26 -12.574 5.078 -15.345 208 2HB LYS 26 HB1 LYS 26 -12.886 5.205 -13.615 209 1HG LYS 26 HG2 LYS 26 -11.414 7.180 -13.487 210 2HG LYS 26 HG1 LYS 26 -11.094 7.053 -15.217 211 1HD LYS 26 HD2 LYS 26 -13.706 7.158 -15.454 212 2HD LYS 26 HD1 LYS 26 -13.651 7.827 -13.822 213 1HE LYS 26 HE2 LYS 26 -12.299 8.924 -16.300 214 2HE LYS 26 HE1 LYS 26 -13.585 9.682 -15.364 215 1HZ LYS 26 HZ3 LYS 26 -11.976 9.595 -13.437 216 2HZ LYS 26 HZ2 LYS 26 -10.769 9.234 -14.579 217 3HZ LYS 26 HZ1 LYS 26 -11.615 10.704 -14.669 218 H LEU 27 HN LEU 27 -12.005 2.995 -12.405 219 HA LEU 27 HA LEU 27 -11.881 0.599 -14.227 220 1HB LEU 27 HB2 LEU 27 -12.021 0.643 -11.196 221 2HB LEU 27 HB1 LEU 27 -11.865 -0.783 -12.216 222 HG LEU 27 HG LEU 27 -9.841 1.470 -12.050 223 1HD1 LEU 27 HD13 LEU 27 -9.997 -1.264 -10.772 224 2HD1 LEU 27 HD12 LEU 27 -8.449 -0.459 -11.032 225 3HD1 LEU 27 HD11 LEU 27 -9.671 0.291 -10.006 226 1HD2 LEU 27 HD23 LEU 27 -10.049 -1.057 -13.687 227 2HD2 LEU 27 HD22 LEU 27 -9.556 0.559 -14.193 228 3HD2 LEU 27 HD21 LEU 27 -8.460 -0.435 -13.238 229 H LYS 28 HN LYS 28 -13.838 -0.309 -14.749 230 HA LYS 28 HA LYS 28 -16.270 1.015 -13.689 231 1HB LYS 28 HB2 LYS 28 -15.638 0.355 -16.216 232 2HB LYS 28 HB1 LYS 28 -16.407 -1.162 -15.763 233 1HG LYS 28 HG2 LYS 28 -18.406 0.178 -14.989 234 2HG LYS 28 HG1 LYS 28 -17.638 1.610 -15.659 235 1HD LYS 28 HD2 LYS 28 -18.272 -0.894 -17.248 236 2HD LYS 28 HD1 LYS 28 -19.288 0.546 -17.219 237 1HE LYS 28 HE2 LYS 28 -17.996 0.916 -19.132 238 2HE LYS 28 HE1 LYS 28 -17.065 1.786 -17.913 239 1HZ LYS 28 HZ1 LYS 28 -16.113 -0.731 -17.715 240 2HZ LYS 28 HZ3 LYS 28 -16.403 -0.600 -19.381 241 3HZ LYS 28 HZ2 LYS 28 -15.383 0.518 -18.608 242 H LYS 29 HN LYS 29 -18.206 -0.708 -13.559 243 HA LYS 29 HA LYS 29 -17.794 -2.232 -11.215 244 1HB LYS 29 HB2 LYS 29 -19.942 -1.698 -13.140 245 2HB LYS 29 HB1 LYS 29 -20.049 -3.345 -12.544 246 1HG LYS 29 HG2 LYS 29 -20.992 -2.609 -10.606 247 2HG LYS 29 HG1 LYS 29 -19.601 -1.599 -10.260 248 1HD LYS 29 HD2 LYS 29 -21.477 -0.136 -10.324 249 2HD LYS 29 HD1 LYS 29 -20.613 0.132 -11.836 250 1HE LYS 29 HE2 LYS 29 -22.883 -0.049 -12.486 251 2HE LYS 29 HE1 LYS 29 -22.215 -1.640 -12.841 252 1HZ LYS 29 HZ3 LYS 29 -22.979 -1.899 -10.278 253 2HZ LYS 29 HZ2 LYS 29 -24.181 -0.864 -10.886 254 3HZ LYS 29 HZ1 LYS 29 -23.908 -2.373 -11.615 255 H SER 30 HN SER 30 -17.950 -3.357 -14.624 256 HA SER 30 HA SER 30 -17.725 -6.128 -14.026 257 1HB SER 30 HB2 SER 30 -16.816 -4.543 -16.433 258 2HB SER 30 HB1 SER 30 -16.745 -6.301 -16.352 259 HG SER 30 HG SER 30 -18.817 -4.758 -16.942 260 H GLU 31 HN GLU 31 -15.176 -3.694 -14.539 261 HA GLU 31 HA GLU 31 -13.014 -5.594 -14.340 262 1HB GLU 31 HB2 GLU 31 -13.116 -2.586 -14.019 263 2HB GLU 31 HB1 GLU 31 -11.618 -3.517 -13.943 264 1HG GLU 31 HG2 GLU 31 -12.062 -4.423 -16.194 265 2HG GLU 31 HG1 GLU 31 -13.558 -3.494 -16.275 266 H LEU 32 HN LEU 32 -14.646 -3.508 -11.969 267 HA LEU 32 HA LEU 32 -12.872 -3.960 -9.798 268 1HB LEU 32 HB2 LEU 32 -14.663 -2.261 -9.769 269 2HB LEU 32 HB1 LEU 32 -15.877 -3.535 -9.769 270 HG LEU 32 HG LEU 32 -14.923 -4.356 -7.582 271 1HD1 LEU 32 HD11 LEU 32 -13.214 -1.899 -7.976 272 2HD1 LEU 32 HD13 LEU 32 -13.562 -2.518 -6.363 273 3HD1 LEU 32 HD12 LEU 32 -12.707 -3.527 -7.527 274 1HD2 LEU 32 HD23 LEU 32 -15.935 -1.507 -7.768 275 2HD2 LEU 32 HD22 LEU 32 -16.904 -2.966 -7.571 276 3HD2 LEU 32 HD21 LEU 32 -15.853 -2.423 -6.264 277 H LYS 33 HN LYS 33 -15.863 -5.751 -10.667 278 HA LYS 33 HA LYS 33 -15.616 -7.679 -8.573 279 1HB LYS 33 HB2 LYS 33 -17.686 -7.289 -9.922 280 2HB LYS 33 HB1 LYS 33 -16.894 -8.061 -11.296 281 1HG LYS 33 HG2 LYS 33 -16.622 -10.132 -10.001 282 2HG LYS 33 HG1 LYS 33 -17.374 -9.366 -8.602 283 1HD LYS 33 HD2 LYS 33 -19.447 -9.029 -9.927 284 2HD LYS 33 HD1 LYS 33 -18.693 -9.865 -11.287 285 1HE LYS 33 HE2 LYS 33 -18.977 -11.110 -8.544 286 2HE LYS 33 HE1 LYS 33 -20.175 -11.320 -9.821 287 1HZ LYS 33 HZ3 LYS 33 -18.015 -11.934 -11.175 288 2HZ LYS 33 HZ2 LYS 33 -17.453 -12.359 -9.630 289 3HZ LYS 33 HZ1 LYS 33 -18.851 -13.090 -10.258 290 H GLU 34 HN GLU 34 -14.425 -7.688 -11.930 291 HA GLU 34 HA GLU 34 -13.452 -10.359 -11.960 292 1HB GLU 34 HB2 GLU 34 -13.665 -8.797 -13.944 293 2HB GLU 34 HB1 GLU 34 -12.185 -8.013 -13.390 294 1HG GLU 34 HG2 GLU 34 -10.962 -10.126 -13.564 295 2HG GLU 34 HG1 GLU 34 -12.440 -10.961 -14.044 296 H LEU 35 HN LEU 35 -11.892 -7.348 -10.888 297 HA LEU 35 HA LEU 35 -9.291 -8.410 -10.476 298 1HB LEU 35 HB2 LEU 35 -10.281 -5.942 -10.315 299 2HB LEU 35 HB1 LEU 35 -10.396 -6.329 -8.611 300 HG LEU 35 HG LEU 35 -8.276 -5.244 -8.991 301 1HD1 LEU 35 HD13 LEU 35 -8.468 -7.353 -7.499 302 2HD1 LEU 35 HD12 LEU 35 -7.572 -8.164 -8.785 303 3HD1 LEU 35 HD11 LEU 35 -6.854 -6.795 -7.941 304 1HD2 LEU 35 HD21 LEU 35 -8.318 -6.187 -11.518 305 2HD2 LEU 35 HD23 LEU 35 -6.825 -5.687 -10.728 306 3HD2 LEU 35 HD22 LEU 35 -7.247 -7.395 -10.809 307 H ILE 36 HN ILE 36 -12.076 -8.256 -8.231 308 HA ILE 36 HA ILE 36 -10.612 -9.615 -6.106 309 HB ILE 36 HB ILE 36 -13.549 -8.962 -6.511 310 1HG1 ILE 36 HG12 ILE 36 -12.942 -7.651 -4.288 311 2HG1 ILE 36 HG11 ILE 36 -11.287 -7.820 -4.864 312 1HG2 ILE 36 HG22 ILE 36 -12.219 -10.494 -4.265 313 2HG2 ILE 36 HG21 ILE 36 -13.769 -9.676 -4.070 314 3HG2 ILE 36 HG23 ILE 36 -13.606 -10.984 -5.240 315 1HD1 ILE 36 HD11 ILE 36 -13.562 -6.622 -6.470 316 2HD1 ILE 36 HD13 ILE 36 -12.345 -5.694 -5.596 317 3HD1 ILE 36 HD12 ILE 36 -11.874 -6.709 -6.951 318 H ASN 37 HN ASN 37 -12.711 -10.630 -8.753 319 HA ASN 37 HA ASN 37 -13.410 -13.207 -7.852 320 1HB ASN 37 HB2 ASN 37 -14.278 -12.068 -9.906 321 2HB ASN 37 HB1 ASN 37 -12.751 -12.444 -10.703 322 1HD2 ASN 37 HD22 ASN 37 -15.419 -15.468 -9.949 323 2HD2 ASN 37 HD21 ASN 37 -15.571 -13.991 -9.126 324 H ASN 38 HN ASN 38 -10.925 -12.755 -10.368 325 HA ASN 38 HA ASN 38 -9.755 -15.338 -9.699 326 1HB ASN 38 HB2 ASN 38 -8.296 -14.946 -11.594 327 2HB ASN 38 HB1 ASN 38 -9.939 -14.471 -12.023 328 1HD2 ASN 38 HD22 ASN 38 -7.009 -11.642 -11.826 329 2HD2 ASN 38 HD21 ASN 38 -6.696 -13.239 -11.344 330 H GLU 39 HN GLU 39 -8.989 -12.064 -8.735 331 HA GLU 39 HA GLU 39 -6.194 -12.812 -8.104 332 1HB GLU 39 HB2 GLU 39 -7.248 -10.470 -8.911 333 2HB GLU 39 HB1 GLU 39 -7.336 -10.202 -7.175 334 1HG GLU 39 HG2 GLU 39 -4.823 -11.029 -8.668 335 2HG GLU 39 HG1 GLU 39 -5.204 -9.380 -8.177 336 H LEU 40 HN LEU 40 -8.483 -11.048 -5.995 337 HA LEU 40 HA LEU 40 -7.412 -12.584 -3.696 338 1HB LEU 40 HB2 LEU 40 -8.456 -9.938 -4.118 339 2HB LEU 40 HB1 LEU 40 -9.513 -10.721 -2.954 340 HG LEU 40 HG LEU 40 -7.381 -11.393 -1.690 341 1HD1 LEU 40 HD11 LEU 40 -6.255 -9.374 -3.653 342 2HD1 LEU 40 HD13 LEU 40 -5.457 -9.794 -2.139 343 3HD1 LEU 40 HD12 LEU 40 -5.704 -11.026 -3.375 344 1HD2 LEU 40 HD21 LEU 40 -8.415 -8.571 -1.992 345 2HD2 LEU 40 HD23 LEU 40 -8.660 -9.709 -0.667 346 3HD2 LEU 40 HD22 LEU 40 -7.101 -8.915 -0.867 347 H SER 41 HN SER 41 -8.395 -14.529 -3.332 348 HA SER 41 HA SER 41 -11.371 -14.604 -3.239 349 1HB SER 41 HB2 SER 41 -11.413 -16.686 -4.564 350 2HB SER 41 HB1 SER 41 -10.750 -15.354 -5.507 351 HG SER 41 HG SER 41 -9.546 -17.404 -5.530 352 H HIS 42 HN HIS 42 -8.837 -14.889 -1.425 353 HA HIS 42 HA HIS 42 -9.729 -17.429 -0.078 354 1HB HIS 42 HB2 HIS 42 -7.463 -17.532 -1.229 355 2HB HIS 42 HB1 HIS 42 -6.912 -16.321 -0.071 356 HD1 HIS 42 HD1 HIS 42 -6.207 -17.147 2.192 357 HD2 HIS 42 HD2 HIS 42 -8.378 -20.023 0.091 358 HE1 HIS 42 HE1 HIS 42 -6.100 -19.274 3.566 359 HE2 HIS 42 HE2 HIS 42 -7.421 -21.029 2.298 360 H PHE 43 HN PHE 43 -8.974 -14.043 0.254 361 HA PHE 43 HA PHE 43 -8.607 -14.140 3.146 362 1HB PHE 43 HB2 PHE 43 -9.059 -11.888 1.183 363 2HB PHE 43 HB1 PHE 43 -8.920 -11.611 2.918 364 HD1 PHE 43 HD2 PHE 43 -7.143 -13.057 -0.029 365 HD2 PHE 43 HD1 PHE 43 -6.797 -11.559 3.984 366 HE1 PHE 43 HE2 PHE 43 -4.670 -13.098 -0.225 367 HE2 PHE 43 HE1 PHE 43 -4.325 -11.598 3.785 368 HZ PHE 43 HZ PHE 43 -3.262 -12.366 1.681 369 H LEU 44 HN LEU 44 -11.195 -12.592 1.184 370 HA LEU 44 HA LEU 44 -12.983 -12.713 3.538 371 1HB LEU 44 HB2 LEU 44 -14.560 -11.613 1.635 372 2HB LEU 44 HB1 LEU 44 -13.399 -10.668 2.559 373 HG LEU 44 HG LEU 44 -12.437 -12.016 0.044 374 1HD1 LEU 44 HD12 LEU 44 -14.069 -9.461 0.115 375 2HD1 LEU 44 HD11 LEU 44 -13.150 -10.035 -1.276 376 3HD1 LEU 44 HD13 LEU 44 -14.523 -10.968 -0.680 377 1HD2 LEU 44 HD21 LEU 44 -11.022 -10.638 1.724 378 2HD2 LEU 44 HD23 LEU 44 -10.869 -10.226 0.017 379 3HD2 LEU 44 HD22 LEU 44 -11.862 -9.230 1.081 380 H GLU 45 HN GLU 45 -13.768 -13.351 0.114 381 HA GLU 45 HA GLU 45 -14.976 -15.098 -0.867 382 1HB GLU 45 HB2 GLU 45 -13.156 -16.416 0.458 383 2HB GLU 45 HB1 GLU 45 -14.456 -16.769 1.593 384 1HG GLU 45 HG2 GLU 45 -15.796 -17.758 -0.208 385 2HG GLU 45 HG1 GLU 45 -14.536 -17.365 -1.378 386 H GLU 46 HN GLU 46 -16.084 -13.179 1.254 387 HA GLU 46 HA GLU 46 -18.379 -14.741 2.303 388 1HB GLU 46 HB2 GLU 46 -18.880 -12.785 3.623 389 2HB GLU 46 HB1 GLU 46 -17.142 -13.057 3.729 390 1HG GLU 46 HG2 GLU 46 -16.884 -11.413 1.800 391 2HG GLU 46 HG1 GLU 46 -18.586 -11.011 2.025 392 H ILE 47 HN ILE 47 -17.665 -13.226 -0.563 393 HA ILE 47 HA ILE 47 -20.193 -11.803 -0.958 394 HB ILE 47 HB ILE 47 -18.101 -12.695 -2.969 395 1HG1 ILE 47 HG12 ILE 47 -18.541 -9.957 -1.741 396 2HG1 ILE 47 HG11 ILE 47 -17.345 -11.106 -1.141 397 1HG2 ILE 47 HG23 ILE 47 -20.499 -10.856 -3.137 398 2HG2 ILE 47 HG22 ILE 47 -19.178 -10.796 -4.305 399 3HG2 ILE 47 HG21 ILE 47 -20.143 -12.263 -4.137 400 1HD1 ILE 47 HD13 ILE 47 -16.306 -11.170 -3.397 401 2HD1 ILE 47 HD12 ILE 47 -17.468 -9.962 -3.947 402 3HD1 ILE 47 HD11 ILE 47 -16.284 -9.547 -2.706 403 H LYS 48 HN LYS 48 -22.056 -12.930 -1.173 404 HA LYS 48 HA LYS 48 -21.983 -15.625 -2.469 405 1HB LYS 48 HB2 LYS 48 -24.044 -14.330 -0.659 406 2HB LYS 48 HB1 LYS 48 -24.220 -15.924 -1.388 407 1HG LYS 48 HG2 LYS 48 -21.762 -15.288 0.238 408 2HG LYS 48 HG1 LYS 48 -23.263 -15.714 1.058 409 1HD LYS 48 HD2 LYS 48 -22.303 -17.478 -1.192 410 2HD LYS 48 HD1 LYS 48 -21.516 -17.604 0.376 411 1HE LYS 48 HE2 LYS 48 -24.520 -17.749 0.045 412 2HE LYS 48 HE1 LYS 48 -23.483 -19.174 0.001 413 1HZ LYS 48 HZ2 LYS 48 -22.579 -18.054 2.198 414 2HZ LYS 48 HZ1 LYS 48 -24.163 -17.439 2.242 415 3HZ LYS 48 HZ3 LYS 48 -23.905 -19.115 2.206 416 H GLU 49 HN GLU 49 -24.027 -12.681 -2.373 417 HA GLU 49 HA GLU 49 -25.057 -13.419 -5.095 418 1HB GLU 49 HB2 GLU 49 -26.237 -11.675 -2.915 419 2HB GLU 49 HB1 GLU 49 -26.934 -11.858 -4.526 420 1HG GLU 49 HG2 GLU 49 -26.373 -14.187 -2.670 421 2HG GLU 49 HG1 GLU 49 -27.940 -13.386 -2.787 422 H GLN 50 HN GLN 50 -25.342 -11.703 -6.633 423 HA GLN 50 HA GLN 50 -23.125 -9.932 -6.911 424 1HB GLN 50 HB2 GLN 50 -24.490 -10.678 -8.827 425 2HB GLN 50 HB1 GLN 50 -25.873 -9.784 -8.196 426 1HG GLN 50 HG2 GLN 50 -24.666 -7.672 -8.446 427 2HG GLN 50 HG1 GLN 50 -23.219 -8.532 -8.972 428 1HE2 GLN 50 HE22 GLN 50 -24.276 -8.439 -12.316 429 2HE2 GLN 50 HE21 GLN 50 -22.999 -8.413 -11.199 430 H GLU 51 HN GLU 51 -26.367 -9.461 -5.596 431 HA GLU 51 HA GLU 51 -26.422 -6.664 -5.384 432 1HB GLU 51 HB2 GLU 51 -27.438 -8.710 -3.386 433 2HB GLU 51 HB1 GLU 51 -27.928 -7.016 -3.444 434 1HG GLU 51 HG2 GLU 51 -28.271 -8.984 -5.729 435 2HG GLU 51 HG1 GLU 51 -29.547 -8.530 -4.599 436 H VAL 52 HN VAL 52 -24.702 -9.026 -3.395 437 HA VAL 52 HA VAL 52 -23.993 -7.302 -1.246 438 HB VAL 52 HB VAL 52 -22.525 -9.657 -2.465 439 1HG1 VAL 52 HG11 VAL 52 -22.000 -8.047 0.042 440 2HG1 VAL 52 HG13 VAL 52 -21.397 -9.691 -0.173 441 3HG1 VAL 52 HG12 VAL 52 -20.873 -8.410 -1.266 442 1HG2 VAL 52 HG23 VAL 52 -24.797 -10.049 -1.469 443 2HG2 VAL 52 HG22 VAL 52 -23.508 -10.892 -0.610 444 3HG2 VAL 52 HG21 VAL 52 -24.190 -9.410 0.059 445 H VAL 53 HN VAL 53 -22.438 -7.836 -4.413 446 HA VAL 53 HA VAL 53 -20.120 -6.246 -3.939 447 HB VAL 53 HB VAL 53 -21.649 -6.850 -6.490 448 1HG1 VAL 53 HG12 VAL 53 -19.011 -5.402 -6.089 449 2HG1 VAL 53 HG11 VAL 53 -19.516 -6.097 -7.629 450 3HG1 VAL 53 HG13 VAL 53 -20.447 -4.786 -6.908 451 1HG2 VAL 53 HG21 VAL 53 -19.041 -7.872 -5.319 452 2HG2 VAL 53 HG23 VAL 53 -20.560 -8.767 -5.405 453 3HG2 VAL 53 HG22 VAL 53 -19.700 -8.340 -6.887 454 H ASP 54 HN ASP 54 -23.361 -5.348 -5.131 455 HA ASP 54 HA ASP 54 -22.790 -2.615 -5.685 456 1HB ASP 54 HB2 ASP 54 -24.884 -3.727 -6.376 457 2HB ASP 54 HB1 ASP 54 -25.384 -3.833 -4.689 458 H LYS 55 HN LYS 55 -23.990 -4.143 -2.686 459 HA LYS 55 HA LYS 55 -24.179 -1.758 -1.145 460 1HB LYS 55 HB2 LYS 55 -25.110 -3.930 -0.419 461 2HB LYS 55 HB1 LYS 55 -23.482 -4.566 -0.228 462 1HG LYS 55 HG2 LYS 55 -22.999 -2.854 1.485 463 2HG LYS 55 HG1 LYS 55 -24.624 -2.201 1.299 464 1HD LYS 55 HD2 LYS 55 -24.386 -5.135 1.897 465 2HD LYS 55 HD1 LYS 55 -24.013 -4.016 3.204 466 1HE LYS 55 HE2 LYS 55 -26.408 -4.699 3.193 467 2HE LYS 55 HE1 LYS 55 -26.203 -2.961 2.986 468 1HZ LYS 55 HZ1 LYS 55 -26.585 -4.892 0.764 469 2HZ LYS 55 HZ3 LYS 55 -27.819 -3.940 1.434 470 3HZ LYS 55 HZ2 LYS 55 -26.514 -3.198 0.636 471 H VAL 56 HN VAL 56 -21.461 -3.978 -1.699 472 HA VAL 56 HA VAL 56 -19.653 -2.652 0.097 473 HB VAL 56 HB VAL 56 -19.175 -4.389 -2.342 474 1HG1 VAL 56 HG11 VAL 56 -17.258 -3.142 -0.371 475 2HG1 VAL 56 HG13 VAL 56 -16.861 -4.653 -1.189 476 3HG1 VAL 56 HG12 VAL 56 -17.151 -3.191 -2.131 477 1HG2 VAL 56 HG21 VAL 56 -20.319 -5.372 -0.310 478 2HG2 VAL 56 HG23 VAL 56 -18.790 -6.142 -0.730 479 3HG2 VAL 56 HG22 VAL 56 -18.863 -4.999 0.610 480 H MET 57 HN MET 57 -20.358 -2.268 -3.363 481 HA MET 57 HA MET 57 -18.306 -0.393 -3.965 482 1HB MET 57 HB2 MET 57 -19.752 -1.516 -5.665 483 2HB MET 57 HB1 MET 57 -21.093 -0.492 -5.147 484 1HG MET 57 HG2 MET 57 -19.890 1.512 -5.777 485 2HG MET 57 HG1 MET 57 -18.438 0.579 -6.133 486 1HE MET 57 HE1 MET 57 -18.628 2.114 -8.353 487 2HE MET 57 HE3 MET 57 -17.799 0.555 -8.433 488 3HE MET 57 HE2 MET 57 -18.867 1.056 -9.742 489 H GLU 58 HN GLU 58 -21.605 0.104 -2.731 490 HA GLU 58 HA GLU 58 -21.522 2.958 -2.827 491 1HB GLU 58 HB2 GLU 58 -23.109 1.042 -1.105 492 2HB GLU 58 HB1 GLU 58 -23.360 2.789 -1.088 493 1HG GLU 58 HG2 GLU 58 -23.783 2.751 -3.526 494 2HG GLU 58 HG1 GLU 58 -23.554 1.002 -3.532 495 H THR 59 HN THR 59 -20.569 0.645 -0.309 496 HA THR 59 HA THR 59 -19.943 2.643 1.668 497 HB THR 59 HB THR 59 -18.810 -0.158 1.321 498 HG1 THR 59 HG1 THR 59 -21.192 0.280 1.581 499 1HG2 THR 59 HG23 THR 59 -17.678 1.584 2.950 500 2HG2 THR 59 HG22 THR 59 -19.103 1.292 3.940 501 3HG2 THR 59 HG21 THR 59 -18.028 -0.043 3.526 502 H LEU 60 HN LEU 60 -17.958 0.897 -0.740 503 HA LEU 60 HA LEU 60 -15.486 2.150 -0.078 504 1HB LEU 60 HB2 LEU 60 -15.540 0.177 -1.500 505 2HB LEU 60 HB1 LEU 60 -16.483 1.032 -2.717 506 HG LEU 60 HG LEU 60 -14.609 2.560 -3.142 507 1HD1 LEU 60 HD12 LEU 60 -13.467 1.173 -0.732 508 2HD1 LEU 60 HD11 LEU 60 -12.356 1.732 -1.980 509 3HD1 LEU 60 HD13 LEU 60 -13.421 2.879 -1.173 510 1HD2 LEU 60 HD21 LEU 60 -13.768 -0.354 -3.109 511 2HD2 LEU 60 HD23 LEU 60 -14.682 0.444 -4.390 512 3HD2 LEU 60 HD22 LEU 60 -13.011 0.914 -4.075 513 H ASP 61 HN ASP 61 -17.884 3.028 -2.594 514 HA ASP 61 HA ASP 61 -16.415 5.494 -3.185 515 1HB ASP 61 HB2 ASP 61 -17.658 4.268 -4.946 516 2HB ASP 61 HB1 ASP 61 -19.169 4.633 -4.110 517 H GLU 62 HN GLU 62 -16.627 6.101 -0.774 518 HA GLU 62 HA GLU 62 -19.192 7.050 0.179 519 1HB GLU 62 HB2 GLU 62 -17.046 6.485 1.549 520 2HB GLU 62 HB1 GLU 62 -16.522 8.112 1.123 521 1HG GLU 62 HG2 GLU 62 -19.168 7.477 2.467 522 2HG GLU 62 HG1 GLU 62 -17.719 7.999 3.325 523 H ASP 63 HN ASP 63 -16.534 8.393 -1.646 524 HA ASP 63 HA ASP 63 -17.149 11.156 -1.472 525 1HB ASP 63 HB2 ASP 63 -15.957 11.256 -3.725 526 2HB ASP 63 HB1 ASP 63 -15.053 10.491 -2.417 527 H GLY 64 HN GLY 64 -18.452 8.634 -3.624 528 1HA GLY 64 HA2 GLY 64 -20.723 8.757 -4.485 529 2HA GLY 64 HA1 GLY 64 -20.666 10.509 -4.329 530 H ASP 65 HN ASP 65 -18.049 8.657 -5.814 531 HA ASP 65 HA ASP 65 -18.446 10.193 -8.307 532 1HB ASP 65 HB2 ASP 65 -16.166 9.822 -7.327 533 2HB ASP 65 HB1 ASP 65 -16.349 8.101 -7.654 534 H GLY 66 HN GLY 66 -19.201 7.077 -7.023 535 1HA GLY 66 HA2 GLY 66 -20.451 5.328 -7.992 536 2HA GLY 66 HA1 GLY 66 -20.684 6.359 -9.406 537 H GLU 67 HN GLU 67 -17.461 6.379 -8.878 538 HA GLU 67 HA GLU 67 -16.899 3.878 -10.424 539 1HB GLU 67 HB2 GLU 67 -15.921 6.684 -11.057 540 2HB GLU 67 HB1 GLU 67 -15.296 5.217 -11.811 541 1HG GLU 67 HG2 GLU 67 -17.512 4.685 -12.697 542 2HG GLU 67 HG1 GLU 67 -18.197 6.093 -11.883 543 H CYS 68 HN CYS 68 -14.654 3.155 -10.140 544 HA CYS 68 HA CYS 68 -13.592 3.974 -7.495 545 1HB CYS 68 HB2 CYS 68 -12.978 1.718 -9.398 546 2HB CYS 68 HB1 CYS 68 -11.939 2.064 -8.018 547 HG CYS 68 HG CYS 68 -13.579 0.671 -6.776 548 H ASP 69 HN ASP 69 -12.175 5.618 -7.430 549 HA ASP 69 HA ASP 69 -10.608 6.347 -9.829 550 1HB ASP 69 HB2 ASP 69 -11.803 7.988 -8.183 551 2HB ASP 69 HB1 ASP 69 -10.417 7.702 -7.133 552 H PHE 70 HN PHE 70 -8.202 6.919 -9.336 553 HA PHE 70 HA PHE 70 -6.851 4.538 -8.552 554 1HB PHE 70 HB2 PHE 70 -5.902 6.412 -9.986 555 2HB PHE 70 HB1 PHE 70 -5.665 7.329 -8.496 556 HD1 PHE 70 HD1 PHE 70 -4.100 6.517 -6.749 557 HD2 PHE 70 HD2 PHE 70 -4.533 4.506 -10.520 558 HE1 PHE 70 HE1 PHE 70 -1.998 5.267 -6.327 559 HE2 PHE 70 HE2 PHE 70 -2.432 3.259 -10.099 560 HZ PHE 70 HZ PHE 70 -1.166 3.638 -8.001 561 H GLN 71 HN GLN 71 -7.519 7.552 -6.791 562 HA GLN 71 HA GLN 71 -6.104 6.922 -4.398 563 1HB GLN 71 HB2 GLN 71 -8.584 8.595 -4.892 564 2HB GLN 71 HB1 GLN 71 -7.756 8.524 -3.338 565 1HG GLN 71 HG2 GLN 71 -5.677 9.322 -4.402 566 2HG GLN 71 HG1 GLN 71 -6.506 9.396 -5.960 567 1HE2 GLN 71 HE22 GLN 71 -6.776 12.550 -3.548 568 2HE2 GLN 71 HE21 GLN 71 -5.593 11.341 -3.412 569 H GLU 72 HN GLU 72 -9.441 6.217 -5.407 570 HA GLU 72 HA GLU 72 -10.289 5.037 -2.939 571 1HB GLU 72 HB2 GLU 72 -11.220 4.646 -5.794 572 2HB GLU 72 HB1 GLU 72 -12.026 3.920 -4.401 573 1HG GLU 72 HG2 GLU 72 -12.505 6.084 -3.453 574 2HG GLU 72 HG1 GLU 72 -11.501 6.891 -4.661 575 H PHE 73 HN PHE 73 -8.727 3.718 -5.815 576 HA PHE 73 HA PHE 73 -8.900 0.961 -5.158 577 1HB PHE 73 HB2 PHE 73 -8.142 1.817 -7.353 578 2HB PHE 73 HB1 PHE 73 -6.683 2.454 -6.595 579 HD1 PHE 73 HD2 PHE 73 -4.962 0.938 -5.692 580 HD2 PHE 73 HD1 PHE 73 -8.424 -0.551 -7.752 581 HE1 PHE 73 HE2 PHE 73 -3.864 -1.273 -5.938 582 HE2 PHE 73 HE1 PHE 73 -7.328 -2.762 -7.997 583 HZ PHE 73 HZ PHE 73 -5.049 -3.122 -7.091 584 H MET 74 HN MET 74 -6.436 3.398 -4.328 585 HA MET 74 HA MET 74 -4.755 1.573 -2.867 586 1HB MET 74 HB2 MET 74 -5.052 4.585 -2.679 587 2HB MET 74 HB1 MET 74 -3.783 3.666 -1.879 588 1HG MET 74 HG2 MET 74 -4.265 3.780 -4.873 589 2HG MET 74 HG1 MET 74 -2.978 4.618 -4.012 590 1HE MET 74 HE3 MET 74 -1.504 3.554 -2.435 591 2HE MET 74 HE2 MET 74 -2.113 2.022 -1.812 592 3HE MET 74 HE1 MET 74 -0.624 2.053 -2.753 593 H ALA 75 HN ALA 75 -7.409 3.730 -1.895 594 HA ALA 75 HA ALA 75 -7.124 3.399 0.912 595 1HB ALA 75 HB1 ALA 75 -8.631 5.061 -0.198 596 2HB ALA 75 HB3 ALA 75 -9.714 3.738 -0.631 597 3HB ALA 75 HB2 ALA 75 -9.442 4.137 1.065 598 H PHE 76 HN PHE 76 -8.994 1.480 -1.449 599 HA PHE 76 HA PHE 76 -10.143 -0.326 0.433 600 1HB PHE 76 HB2 PHE 76 -10.820 -0.191 -1.957 601 2HB PHE 76 HB1 PHE 76 -9.276 -0.906 -2.416 602 HD1 PHE 76 HD1 PHE 76 -8.750 -3.251 -1.853 603 HD2 PHE 76 HD2 PHE 76 -12.569 -1.518 -0.917 604 HE1 PHE 76 HE1 PHE 76 -9.687 -5.516 -1.480 605 HE2 PHE 76 HE2 PHE 76 -13.504 -3.783 -0.542 606 HZ PHE 76 HZ PHE 76 -12.065 -5.783 -0.824 607 H VAL 77 HN VAL 77 -7.119 -0.590 -1.466 608 HA VAL 77 HA VAL 77 -6.294 -3.085 -0.359 609 HB VAL 77 HB VAL 77 -4.687 -0.775 -1.491 610 1HG1 VAL 77 HG13 VAL 77 -3.833 -3.563 -0.669 611 2HG1 VAL 77 HG12 VAL 77 -2.888 -2.544 -1.756 612 3HG1 VAL 77 HG11 VAL 77 -3.176 -2.030 -0.094 613 1HG2 VAL 77 HG21 VAL 77 -6.325 -2.058 -2.964 614 2HG2 VAL 77 HG23 VAL 77 -4.649 -2.068 -3.512 615 3HG2 VAL 77 HG22 VAL 77 -5.318 -3.481 -2.695 616 H SER 78 HN SER 78 -5.612 0.268 0.653 617 HA SER 78 HA SER 78 -3.878 -0.370 2.816 618 1HB SER 78 HB2 SER 78 -4.254 1.935 1.908 619 2HB SER 78 HB1 SER 78 -5.843 1.936 2.666 620 HG SER 78 HG SER 78 -4.732 1.552 4.673 621 H MET 79 HN MET 79 -7.421 -0.010 2.713 622 HA MET 79 HA MET 79 -7.874 -0.359 5.497 623 1HB MET 79 HB2 MET 79 -9.596 0.387 3.840 624 2HB MET 79 HB1 MET 79 -9.677 -1.268 3.236 625 1HG MET 79 HG2 MET 79 -10.395 -2.079 5.420 626 2HG MET 79 HG1 MET 79 -10.190 -0.472 6.116 627 1HE MET 79 HE1 MET 79 -11.839 -2.730 3.695 628 2HE MET 79 HE3 MET 79 -13.383 -1.998 3.241 629 3HE MET 79 HE2 MET 79 -11.888 -1.437 2.500 630 H VAL 80 HN VAL 80 -7.552 -2.754 2.887 631 HA VAL 80 HA VAL 80 -8.187 -5.017 4.556 632 HB VAL 80 HB VAL 80 -6.665 -4.780 1.946 633 1HG1 VAL 80 HG13 VAL 80 -7.382 -7.186 3.627 634 2HG1 VAL 80 HG12 VAL 80 -7.222 -7.324 1.875 635 3HG1 VAL 80 HG11 VAL 80 -5.847 -6.803 2.848 636 1HG2 VAL 80 HG21 VAL 80 -9.464 -5.725 2.646 637 2HG2 VAL 80 HG23 VAL 80 -9.054 -4.208 1.845 638 3HG2 VAL 80 HG22 VAL 80 -8.761 -5.743 1.028 639 H THR 81 HN THR 81 -5.083 -3.534 3.568 640 HA THR 81 HA THR 81 -3.403 -5.436 4.872 641 HB THR 81 HB THR 81 -2.826 -2.478 4.521 642 HG1 THR 81 HG1 THR 81 -3.159 -3.024 2.505 643 1HG2 THR 81 HG21 THR 81 -1.241 -3.788 5.929 644 2HG2 THR 81 HG23 THR 81 -1.011 -4.908 4.586 645 3HG2 THR 81 HG22 THR 81 -0.499 -3.228 4.430 646 H THR 82 HN THR 82 -4.911 -2.441 6.070 647 HA THR 82 HA THR 82 -3.654 -2.547 8.661 648 HB THR 82 HB THR 82 -5.521 -0.988 9.317 649 HG1 THR 82 HG1 THR 82 -7.217 -1.455 8.119 650 1HG2 THR 82 HG22 THR 82 -3.385 -0.228 8.230 651 2HG2 THR 82 HG21 THR 82 -4.214 -0.287 6.677 652 3HG2 THR 82 HG23 THR 82 -4.756 0.837 7.922 653 H ALA 83 HN ALA 83 -6.696 -3.809 7.359 654 HA ALA 83 HA ALA 83 -7.671 -4.780 9.905 655 1HB ALA 83 HB3 ALA 83 -8.421 -5.363 7.036 656 2HB ALA 83 HB2 ALA 83 -9.238 -6.118 8.403 657 3HB ALA 83 HB1 ALA 83 -9.293 -4.367 8.201 658 H CYS 84 HN CYS 84 -5.473 -6.052 7.516 659 HA CYS 84 HA CYS 84 -5.694 -8.793 7.735 660 1HB CYS 84 HB2 CYS 84 -3.379 -8.967 7.199 661 2HB CYS 84 HB1 CYS 84 -3.926 -7.462 6.465 662 HG CYS 84 HG CYS 84 -2.862 -6.202 8.573 663 H HIS 85 HN HIS 85 -5.963 -10.066 9.486 664 HA HIS 85 HA HIS 85 -4.777 -9.248 12.098 665 1HB HIS 85 HB2 HIS 85 -7.150 -9.801 12.148 666 2HB HIS 85 HB1 HIS 85 -6.839 -11.353 11.373 667 HD1 HIS 85 HD1 HIS 85 -5.487 -9.545 14.469 668 HD2 HIS 85 HD2 HIS 85 -6.717 -13.345 13.267 669 HE1 HIS 85 HE1 HIS 85 -5.263 -11.048 16.498 670 HE2 HIS 85 HE2 HIS 85 -6.010 -13.362 15.777 671 H GLU 86 HN GLU 86 -4.886 -11.998 9.840 672 HA GLU 86 HA GLU 86 -3.085 -13.629 11.400 673 1HB GLU 86 HB2 GLU 86 -2.961 -15.069 9.403 674 2HB GLU 86 HB1 GLU 86 -4.627 -14.646 9.781 675 1HG GLU 86 HG2 GLU 86 -2.968 -13.143 7.734 676 2HG GLU 86 HG1 GLU 86 -4.007 -14.501 7.326 677 H PHE 87 HN PHE 87 -0.876 -13.866 11.250 678 HA PHE 87 HA PHE 87 0.584 -11.852 9.571 679 1HB PHE 87 HB2 PHE 87 1.304 -13.140 12.217 680 2HB PHE 87 HB1 PHE 87 2.397 -12.117 11.287 681 HD1 PHE 87 HD2 PHE 87 1.918 -9.721 10.967 682 HD2 PHE 87 HD1 PHE 87 -0.606 -12.215 13.384 683 HE1 PHE 87 HE2 PHE 87 0.876 -7.701 11.958 684 HE2 PHE 87 HE1 PHE 87 -1.652 -10.195 14.376 685 HZ PHE 87 HZ PHE 87 -0.910 -7.938 13.662 686 H PHE 88 HN PHE 88 2.268 -12.575 8.265 687 HA PHE 88 HA PHE 88 2.509 -15.526 7.938 688 1HB PHE 88 HB2 PHE 88 3.425 -13.177 6.254 689 2HB PHE 88 HB1 PHE 88 3.854 -14.848 5.890 690 HD1 PHE 88 HD1 PHE 88 1.879 -16.552 5.762 691 HD2 PHE 88 HD2 PHE 88 1.410 -12.296 5.412 692 HE1 PHE 88 HE1 PHE 88 -0.295 -16.886 4.618 693 HE2 PHE 88 HE2 PHE 88 -0.765 -12.630 4.269 694 HZ PHE 88 HZ PHE 88 -1.619 -14.925 3.873 695 H GLU 89 HN GLU 89 4.143 -16.502 9.050 696 HA GLU 89 HA GLU 89 6.728 -15.014 9.412 697 1HB GLU 89 HB2 GLU 89 5.256 -15.222 11.509 698 2HB GLU 89 HB1 GLU 89 5.575 -16.952 11.431 699 1HG GLU 89 HG2 GLU 89 7.941 -16.613 11.719 700 2HG GLU 89 HG1 GLU 89 7.781 -14.873 11.490 701 H HIS 90 HN HIS 90 5.681 -17.182 7.482 702 HA HIS 90 HA HIS 90 6.940 -19.657 8.128 703 1HB HIS 90 HB2 HIS 90 6.635 -18.442 5.364 704 2HB HIS 90 HB1 HIS 90 6.844 -20.152 5.745 705 HD1 HIS 90 HD1 HIS 90 4.856 -20.872 7.740 706 HD2 HIS 90 HD2 HIS 90 3.974 -17.965 4.879 707 HE1 HIS 90 HE1 HIS 90 2.328 -20.734 7.611 708 HE2 HIS 90 HE2 HIS 90 1.781 -18.972 5.870 709 H GLU 91 HN GLU 91 8.174 -16.685 6.654 710 HA GLU 91 HA GLU 91 10.779 -17.756 6.004 711 1HB GLU 91 HB2 GLU 91 9.800 -15.670 5.000 712 2HB GLU 91 HB1 GLU 91 10.025 -14.869 6.555 713 1HG GLU 91 HG2 GLU 91 12.447 -15.275 6.436 714 2HG GLU 91 HG1 GLU 91 12.239 -16.127 4.906 715 1H MET 0 HT1 MET 0 -4.015 -12.783 -12.188 716 2H MET 0 HT3 MET 0 -3.080 -11.840 -13.243 717 3H MET 0 HT2 MET 0 -3.479 -13.437 -13.661 718 HA MET 0 HA MET 0 -1.856 -14.334 -12.432 719 1HB MET 0 HB2 MET 0 -1.000 -11.437 -12.652 720 2HB MET 0 HB1 MET 0 0.076 -12.728 -12.123 721 1HG MET 0 HG2 MET 0 -0.305 -13.927 -14.246 722 2HG MET 0 HG1 MET 0 -1.379 -12.636 -14.784 723 1HE MET 0 HE3 MET 0 -0.851 -10.320 -14.672 724 2HE MET 0 HE2 MET 0 0.680 -9.573 -15.115 725 3HE MET 0 HE1 MET 0 -0.229 -10.482 -16.318 726 H SER 1 HN SER 1 -0.573 -14.296 -10.357 727 HA SER 1 HA SER 1 -2.251 -13.177 -8.142 728 1HB SER 1 HB2 SER 1 -1.902 -15.653 -8.217 729 2HB SER 1 HB1 SER 1 -0.170 -15.381 -8.057 730 HG SER 1 HG SER 1 -0.481 -14.574 -6.044 731 H GLU 2 HN GLU 2 0.056 -11.897 -9.781 732 HA GLU 2 HA GLU 2 2.332 -11.613 -8.100 733 1HB GLU 2 HB2 GLU 2 1.100 -9.731 -10.127 734 2HB GLU 2 HB1 GLU 2 2.648 -9.425 -9.338 735 1HG GLU 2 HG2 GLU 2 3.520 -11.563 -10.205 736 2HG GLU 2 HG1 GLU 2 1.974 -11.875 -10.996 737 H LEU 3 HN LEU 3 -0.731 -9.779 -8.182 738 HA LEU 3 HA LEU 3 0.023 -7.787 -6.283 739 1HB LEU 3 HB2 LEU 3 -2.671 -9.034 -6.882 740 2HB LEU 3 HB1 LEU 3 -2.467 -7.670 -5.790 741 HG LEU 3 HG LEU 3 -1.400 -7.559 -8.616 742 1HD1 LEU 3 HD13 LEU 3 -4.239 -7.273 -7.653 743 2HD1 LEU 3 HD12 LEU 3 -3.680 -6.209 -8.939 744 3HD1 LEU 3 HD11 LEU 3 -3.632 -7.956 -9.159 745 1HD2 LEU 3 HD22 LEU 3 -2.272 -5.489 -6.563 746 2HD2 LEU 3 HD21 LEU 3 -0.632 -5.780 -7.134 747 3HD2 LEU 3 HD23 LEU 3 -1.835 -5.097 -8.223 748 H GLU 4 HN GLU 4 -1.417 -11.004 -5.850 749 HA GLU 4 HA GLU 4 -1.784 -10.857 -3.040 750 1HB GLU 4 HB2 GLU 4 -2.688 -12.661 -4.504 751 2HB GLU 4 HB1 GLU 4 -1.052 -13.297 -4.686 752 1HG GLU 4 HG2 GLU 4 -0.907 -13.626 -2.241 753 2HG GLU 4 HG1 GLU 4 -2.546 -12.999 -2.065 754 H LYS 5 HN LYS 5 1.018 -11.990 -4.944 755 HA LYS 5 HA LYS 5 2.637 -12.666 -2.674 756 1HB LYS 5 HB2 LYS 5 3.111 -13.375 -5.041 757 2HB LYS 5 HB1 LYS 5 3.603 -11.717 -5.387 758 1HG LYS 5 HG2 LYS 5 5.316 -11.870 -3.593 759 2HG LYS 5 HG1 LYS 5 4.848 -13.546 -3.313 760 1HD LYS 5 HD2 LYS 5 5.413 -14.062 -5.687 761 2HD LYS 5 HD1 LYS 5 5.982 -12.403 -5.880 762 1HE LYS 5 HE2 LYS 5 7.073 -14.407 -3.882 763 2HE LYS 5 HE1 LYS 5 7.857 -13.942 -5.391 764 1HZ LYS 5 HZ3 LYS 5 7.792 -11.608 -4.545 765 2HZ LYS 5 HZ2 LYS 5 7.296 -12.224 -3.041 766 3HZ LYS 5 HZ1 LYS 5 8.813 -12.648 -3.678 767 H ALA 6 HN ALA 6 2.241 -9.677 -4.542 768 HA ALA 6 HA ALA 6 4.327 -8.180 -3.326 769 1HB ALA 6 HB2 ALA 6 2.928 -7.523 -5.348 770 2HB ALA 6 HB1 ALA 6 1.662 -7.051 -4.215 771 3HB ALA 6 HB3 ALA 6 3.222 -6.230 -4.185 772 H MET 7 HN MET 7 0.926 -8.635 -2.318 773 HA MET 7 HA MET 7 0.981 -6.804 -0.124 774 1HB MET 7 HB2 MET 7 -0.583 -9.376 -0.524 775 2HB MET 7 HB1 MET 7 -0.880 -8.238 0.792 776 1HG MET 7 HG2 MET 7 -1.324 -6.450 -0.851 777 2HG MET 7 HG1 MET 7 -1.029 -7.585 -2.165 778 1HE MET 7 HE3 MET 7 -2.776 -6.756 0.936 779 2HE MET 7 HE2 MET 7 -4.459 -7.241 0.750 780 3HE MET 7 HE1 MET 7 -3.268 -8.417 1.296 781 H VAL 8 HN VAL 8 1.863 -10.230 -0.372 782 HA VAL 8 HA VAL 8 2.398 -10.680 2.395 783 HB VAL 8 HB VAL 8 3.446 -12.003 -0.121 784 1HG1 VAL 8 HG13 VAL 8 4.031 -12.587 2.788 785 2HG1 VAL 8 HG12 VAL 8 4.122 -13.851 1.559 786 3HG1 VAL 8 HG11 VAL 8 5.174 -12.439 1.453 787 1HG2 VAL 8 HG21 VAL 8 1.038 -12.283 0.471 788 2HG2 VAL 8 HG23 VAL 8 1.929 -13.802 0.576 789 3HG2 VAL 8 HG22 VAL 8 1.524 -12.916 2.045 790 H ALA 9 HN ALA 9 4.491 -9.488 -0.227 791 HA ALA 9 HA ALA 9 6.943 -9.560 1.194 792 1HB ALA 9 HB3 ALA 9 6.577 -9.070 -1.278 793 2HB ALA 9 HB2 ALA 9 6.184 -7.419 -0.799 794 3HB ALA 9 HB1 ALA 9 7.789 -8.074 -0.471 795 H LEU 10 HN LEU 10 4.542 -6.907 1.002 796 HA LEU 10 HA LEU 10 6.018 -5.045 2.582 797 1HB LEU 10 HB2 LEU 10 3.095 -5.442 1.984 798 2HB LEU 10 HB1 LEU 10 3.575 -4.232 3.166 799 HG LEU 10 HG LEU 10 3.282 -3.436 0.741 800 1HD1 LEU 10 HD13 LEU 10 4.659 -2.299 2.630 801 2HD1 LEU 10 HD12 LEU 10 6.070 -2.882 1.752 802 3HD1 LEU 10 HD11 LEU 10 4.938 -1.787 0.968 803 1HD2 LEU 10 HD21 LEU 10 4.548 -5.467 -0.178 804 2HD2 LEU 10 HD23 LEU 10 4.975 -3.900 -0.859 805 3HD2 LEU 10 HD22 LEU 10 6.023 -4.651 0.337 806 H ILE 11 HN ILE 11 3.652 -7.529 3.561 807 HA ILE 11 HA ILE 11 3.807 -6.864 6.364 808 HB ILE 11 HB ILE 11 2.909 -9.379 4.936 809 1HG1 ILE 11 HG12 ILE 11 1.301 -7.195 6.294 810 2HG1 ILE 11 HG11 ILE 11 1.650 -7.211 4.565 811 1HG2 ILE 11 HG21 ILE 11 2.870 -8.592 7.855 812 2HG2 ILE 11 HG23 ILE 11 1.713 -9.750 7.196 813 3HG2 ILE 11 HG22 ILE 11 3.441 -10.098 7.134 814 1HD1 ILE 11 HD12 ILE 11 0.230 -9.432 6.064 815 2HD1 ILE 11 HD11 ILE 11 -0.569 -8.209 5.078 816 3HD1 ILE 11 HD13 ILE 11 0.524 -9.370 4.327 817 H ASP 12 HN ASP 12 5.431 -9.347 4.374 818 HA ASP 12 HA ASP 12 6.867 -10.486 6.603 819 1HB ASP 12 HB2 ASP 12 7.337 -10.587 3.618 820 2HB ASP 12 HB1 ASP 12 8.334 -11.462 4.780 821 H VAL 13 HN VAL 13 7.690 -7.993 4.201 822 HA VAL 13 HA VAL 13 10.422 -7.731 5.016 823 HB VAL 13 HB VAL 13 8.525 -5.802 3.656 824 1HG1 VAL 13 HG11 VAL 13 11.425 -5.503 4.432 825 2HG1 VAL 13 HG13 VAL 13 10.799 -4.700 2.993 826 3HG1 VAL 13 HG12 VAL 13 10.115 -4.331 4.575 827 1HG2 VAL 13 HG23 VAL 13 9.377 -8.020 2.569 828 2HG2 VAL 13 HG22 VAL 13 9.517 -6.527 1.643 829 3HG2 VAL 13 HG21 VAL 13 10.930 -7.189 2.464 830 H PHE 14 HN PHE 14 7.454 -6.080 6.115 831 HA PHE 14 HA PHE 14 8.731 -4.168 7.787 832 1HB PHE 14 HB2 PHE 14 6.343 -4.056 7.218 833 2HB PHE 14 HB1 PHE 14 6.040 -5.507 8.175 834 HD1 PHE 14 HD2 PHE 14 6.926 -1.930 8.290 835 HD2 PHE 14 HD1 PHE 14 6.112 -5.448 10.619 836 HE1 PHE 14 HE2 PHE 14 6.715 -0.532 10.329 837 HE2 PHE 14 HE1 PHE 14 5.905 -4.048 12.658 838 HZ PHE 14 HZ PHE 14 6.206 -1.591 12.512 839 H HIS 15 HN HIS 15 7.525 -7.444 8.636 840 HA HIS 15 HA HIS 15 8.475 -7.262 11.361 841 1HB HIS 15 HB2 HIS 15 7.352 -9.419 9.617 842 2HB HIS 15 HB1 HIS 15 8.304 -9.951 11.001 843 HD1 HIS 15 HD1 HIS 15 4.980 -8.642 10.083 844 HD2 HIS 15 HD2 HIS 15 7.263 -8.954 13.563 845 HE1 HIS 15 HE1 HIS 15 3.394 -8.256 12.026 846 HE2 HIS 15 HE2 HIS 15 4.774 -8.451 14.143 847 H GLN 16 HN GLN 16 9.937 -8.380 8.349 848 HA GLN 16 HA GLN 16 12.136 -9.796 9.456 849 1HB GLN 16 HB2 GLN 16 11.477 -9.697 7.019 850 2HB GLN 16 HB1 GLN 16 12.199 -8.088 6.956 851 1HG GLN 16 HG2 GLN 16 14.374 -8.958 7.521 852 2HG GLN 16 HG1 GLN 16 13.703 -10.552 7.871 853 1HE2 GLN 16 HE22 GLN 16 14.646 -9.590 4.059 854 2HE2 GLN 16 HE21 GLN 16 14.988 -8.553 5.357 855 H TYR 17 HN TYR 17 11.930 -6.343 8.520 856 HA TYR 17 HA TYR 17 14.581 -5.750 9.541 857 1HB TYR 17 HB2 TYR 17 12.244 -4.103 8.585 858 2HB TYR 17 HB1 TYR 17 13.611 -3.313 9.369 859 HD1 TYR 17 HD1 TYR 17 12.609 -5.438 6.486 860 HD2 TYR 17 HD2 TYR 17 15.718 -3.075 8.268 861 HE1 TYR 17 HE1 TYR 17 13.891 -5.528 4.365 862 HE2 TYR 17 HE2 TYR 17 17.002 -3.162 6.151 863 HH TYR 17 HH TYR 17 16.928 -3.728 3.979 864 H SER 18 HN SER 18 11.287 -5.332 10.831 865 HA SER 18 HA SER 18 12.024 -3.903 13.183 866 1HB SER 18 HB2 SER 18 9.842 -4.378 13.967 867 2HB SER 18 HB1 SER 18 9.674 -4.369 12.214 868 HG SER 18 HG SER 18 8.873 -6.255 13.646 869 H GLY 19 HN GLY 19 11.787 -7.396 12.558 870 1HA GLY 19 HA2 GLY 19 12.465 -8.082 15.311 871 2HA GLY 19 HA1 GLY 19 12.348 -9.212 13.961 872 H ARG 20 HN ARG 20 14.249 -6.857 12.781 873 HA ARG 20 HA ARG 20 16.625 -8.414 12.832 874 1HB ARG 20 HB2 ARG 20 16.085 -6.564 11.202 875 2HB ARG 20 HB1 ARG 20 16.480 -5.412 12.478 876 1HG ARG 20 HG2 ARG 20 18.731 -6.394 12.673 877 2HG ARG 20 HG1 ARG 20 18.345 -7.538 11.391 878 1HD ARG 20 HD2 ARG 20 17.708 -5.139 10.185 879 2HD ARG 20 HD1 ARG 20 19.082 -4.675 11.184 880 HE ARG 20 HE ARG 20 19.264 -6.071 8.741 881 1HH1 ARG 20 HH21 ARG 20 20.310 -6.475 12.012 882 2HH1 ARG 20 HH22 ARG 20 21.608 -7.536 11.594 883 1HH2 ARG 20 HH11 ARG 20 20.958 -7.436 8.196 884 2HH2 ARG 20 HH12 ARG 20 21.979 -8.075 9.441 885 H GLU 21 HN GLU 21 15.561 -5.716 14.897 886 HA GLU 21 HA GLU 21 17.499 -6.618 16.945 887 1HB GLU 21 HB2 GLU 21 18.724 -4.904 15.638 888 2HB GLU 21 HB1 GLU 21 17.415 -3.760 15.919 889 1HG GLU 21 HG2 GLU 21 19.269 -3.383 17.501 890 2HG GLU 21 HG1 GLU 21 17.816 -3.896 18.357 891 H GLY 22 HN GLY 22 15.577 -7.228 18.087 892 1HA GLY 22 HA2 GLY 22 13.683 -6.874 19.443 893 2HA GLY 22 HA1 GLY 22 14.622 -5.502 20.033 894 H ASP 23 HN ASP 23 12.303 -4.624 20.239 895 HA ASP 23 HA ASP 23 10.579 -3.237 19.424 896 1HB ASP 23 HB2 ASP 23 12.876 -2.463 17.594 897 2HB ASP 23 HB1 ASP 23 11.372 -1.556 17.742 898 H LYS 24 HN LYS 24 10.498 -5.874 18.416 899 HA LYS 24 HA LYS 24 10.345 -6.001 15.565 900 1HB LYS 24 HB2 LYS 24 9.068 -8.082 15.939 901 2HB LYS 24 HB1 LYS 24 10.506 -8.011 16.959 902 1HG LYS 24 HG2 LYS 24 9.076 -7.113 18.813 903 2HG LYS 24 HG1 LYS 24 7.661 -7.373 17.790 904 1HD LYS 24 HD2 LYS 24 8.209 -9.776 17.640 905 2HD LYS 24 HD1 LYS 24 9.619 -9.517 18.667 906 1HE LYS 24 HE2 LYS 24 7.825 -10.330 20.071 907 2HE LYS 24 HE1 LYS 24 8.071 -8.623 20.442 908 1HZ LYS 24 HZ1 LYS 24 6.142 -9.350 18.358 909 2HZ LYS 24 HZ3 LYS 24 5.695 -9.558 19.981 910 3HZ LYS 24 HZ2 LYS 24 6.142 -8.019 19.415 911 H HIS 25 HN HIS 25 7.990 -5.068 18.015 912 HA HIS 25 HA HIS 25 5.838 -4.900 16.001 913 1HB HIS 25 HB2 HIS 25 5.339 -5.741 18.259 914 2HB HIS 25 HB1 HIS 25 5.862 -4.207 18.949 915 HD1 HIS 25 HD1 HIS 25 3.735 -4.633 15.831 916 HD2 HIS 25 HD2 HIS 25 3.377 -3.207 19.735 917 HE1 HIS 25 HE1 HIS 25 1.439 -3.571 16.000 918 HE2 HIS 25 HE2 HIS 25 1.212 -2.698 18.371 919 H LYS 26 HN LYS 26 8.350 -2.860 16.992 920 HA LYS 26 HA LYS 26 6.896 -0.499 15.865 921 1HB LYS 26 HB2 LYS 26 8.562 -0.375 18.399 922 2HB LYS 26 HB1 LYS 26 7.661 0.945 17.658 923 1HG LYS 26 HG2 LYS 26 5.546 -0.283 18.056 924 2HG LYS 26 HG1 LYS 26 6.458 -1.583 18.825 925 1HD LYS 26 HD2 LYS 26 7.402 0.310 20.364 926 2HD LYS 26 HD1 LYS 26 6.013 1.236 19.797 927 1HE LYS 26 HE2 LYS 26 5.990 -1.395 21.293 928 2HE LYS 26 HE1 LYS 26 5.323 0.150 21.818 929 1HZ LYS 26 HZ3 LYS 26 3.750 0.041 19.977 930 2HZ LYS 26 HZ2 LYS 26 4.374 -1.472 19.520 931 3HZ LYS 26 HZ1 LYS 26 3.583 -1.292 21.013 932 H LEU 27 HN LEU 27 8.413 1.191 15.114 933 HA LEU 27 HA LEU 27 11.174 0.122 14.563 934 1HB LEU 27 HB2 LEU 27 9.587 2.136 12.945 935 2HB LEU 27 HB1 LEU 27 11.167 1.484 12.536 936 HG LEU 27 HG LEU 27 8.608 -0.127 12.779 937 1HD1 LEU 27 HD13 LEU 27 10.195 0.915 10.424 938 2HD1 LEU 27 HD12 LEU 27 9.057 -0.423 10.274 939 3HD1 LEU 27 HD11 LEU 27 8.486 1.167 10.778 940 1HD2 LEU 27 HD21 LEU 27 11.494 -0.852 12.260 941 2HD2 LEU 27 HD23 LEU 27 10.323 -1.645 13.317 942 3HD2 LEU 27 HD22 LEU 27 10.202 -1.834 11.570 943 H LYS 28 HN LYS 28 12.846 1.375 15.306 944 HA LYS 28 HA LYS 28 12.132 3.830 16.809 945 1HB LYS 28 HB2 LYS 28 13.711 1.806 17.534 946 2HB LYS 28 HB1 LYS 28 14.939 2.744 16.690 947 1HG LYS 28 HG2 LYS 28 14.278 4.728 18.102 948 2HG LYS 28 HG1 LYS 28 13.218 3.664 19.016 949 1HD LYS 28 HD2 LYS 28 16.201 3.236 18.672 950 2HD LYS 28 HD1 LYS 28 15.462 3.990 20.083 951 1HE LYS 28 HE2 LYS 28 15.617 1.788 20.817 952 2HE LYS 28 HE1 LYS 28 14.007 1.755 20.099 953 1HZ LYS 28 HZ3 LYS 28 15.225 1.085 17.977 954 2HZ LYS 28 HZ2 LYS 28 16.552 0.756 18.978 955 3HZ LYS 28 HZ1 LYS 28 15.090 -0.080 19.199 956 H LYS 29 HN LYS 29 14.083 5.533 16.658 957 HA LYS 29 HA LYS 29 13.883 6.794 14.139 958 1HB LYS 29 HB2 LYS 29 15.261 7.205 16.696 959 2HB LYS 29 HB1 LYS 29 16.248 7.782 15.366 960 1HG LYS 29 HG2 LYS 29 15.001 9.683 15.245 961 2HG LYS 29 HG1 LYS 29 13.547 8.754 14.935 962 1HD LYS 29 HD2 LYS 29 13.101 10.037 16.888 963 2HD LYS 29 HD1 LYS 29 13.383 8.393 17.455 964 1HE LYS 29 HE2 LYS 29 14.661 9.733 18.926 965 2HE LYS 29 HE1 LYS 29 15.849 9.139 17.771 966 1HZ LYS 29 HZ1 LYS 29 15.012 11.355 16.553 967 2HZ LYS 29 HZ3 LYS 29 14.842 11.821 18.174 968 3HZ LYS 29 HZ2 LYS 29 16.351 11.299 17.597 969 H SER 30 HN SER 30 16.616 4.864 15.460 970 HA SER 30 HA SER 30 18.341 5.265 13.236 971 1HB SER 30 HB2 SER 30 18.100 2.917 15.126 972 2HB SER 30 HB1 SER 30 19.386 3.080 13.936 973 HG SER 30 HG SER 30 19.226 4.164 16.347 974 H GLU 31 HN GLU 31 15.835 2.787 13.759 975 HA GLU 31 HA GLU 31 16.423 1.369 11.319 976 1HB GLU 31 HB2 GLU 31 13.959 1.433 13.076 977 2HB GLU 31 HB1 GLU 31 14.120 0.379 11.669 978 1HG GLU 31 HG2 GLU 31 16.163 -0.612 12.641 979 2HG GLU 31 HG1 GLU 31 15.996 0.437 14.049 980 H LEU 32 HN LEU 32 14.144 3.975 12.129 981 HA LEU 32 HA LEU 32 12.722 3.979 9.677 982 1HB LEU 32 HB2 LEU 32 11.991 5.262 11.638 983 2HB LEU 32 HB1 LEU 32 13.406 6.299 11.510 984 HG LEU 32 HG LEU 32 12.583 6.973 9.198 985 1HD1 LEU 32 HD12 LEU 32 10.199 5.367 10.139 986 2HD1 LEU 32 HD11 LEU 32 10.077 6.609 8.894 987 3HD1 LEU 32 HD13 LEU 32 11.088 5.192 8.627 988 1HD2 LEU 32 HD22 LEU 32 10.843 7.509 11.617 989 2HD2 LEU 32 HD21 LEU 32 12.246 8.443 11.096 990 3HD2 LEU 32 HD23 LEU 32 10.776 8.442 10.122 991 H LYS 33 HN LYS 33 15.612 5.893 10.597 992 HA LYS 33 HA LYS 33 15.898 7.152 8.050 993 1HB LYS 33 HB2 LYS 33 17.031 7.933 10.110 994 2HB LYS 33 HB1 LYS 33 18.046 6.490 10.086 995 1HG LYS 33 HG2 LYS 33 18.970 7.143 7.913 996 2HG LYS 33 HG1 LYS 33 17.917 8.557 7.869 997 1HD LYS 33 HD2 LYS 33 18.993 9.353 9.988 998 2HD LYS 33 HD1 LYS 33 20.123 8.003 9.872 999 1HE LYS 33 HE2 LYS 33 19.736 10.066 7.686 1000 2HE LYS 33 HE1 LYS 33 21.007 10.156 8.907 1001 1HZ LYS 33 HZ3 LYS 33 21.145 7.601 7.936 1002 2HZ LYS 33 HZ2 LYS 33 20.871 8.552 6.555 1003 3HZ LYS 33 HZ1 LYS 33 22.200 8.876 7.563 1004 H GLU 34 HN GLU 34 17.248 4.121 9.342 1005 HA GLU 34 HA GLU 34 18.985 3.548 7.163 1006 1HB GLU 34 HB2 GLU 34 18.894 2.356 9.401 1007 2HB GLU 34 HB1 GLU 34 17.481 1.492 8.796 1008 1HG GLU 34 HG2 GLU 34 18.795 0.603 6.924 1009 2HG GLU 34 HG1 GLU 34 20.209 1.506 7.470 1010 H LEU 35 HN LEU 35 15.543 2.792 7.636 1011 HA LEU 35 HA LEU 35 15.221 1.115 5.369 1012 1HB LEU 35 HB2 LEU 35 13.586 1.809 7.354 1013 2HB LEU 35 HB1 LEU 35 13.028 3.002 6.195 1014 HG LEU 35 HG LEU 35 11.634 1.034 6.007 1015 1HD1 LEU 35 HD13 LEU 35 12.497 2.290 3.920 1016 2HD1 LEU 35 HD12 LEU 35 13.496 0.864 3.647 1017 3HD1 LEU 35 HD11 LEU 35 11.741 0.715 3.679 1018 1HD2 LEU 35 HD23 LEU 35 13.727 -0.456 6.832 1019 2HD2 LEU 35 HD22 LEU 35 12.379 -1.146 5.935 1020 3HD2 LEU 35 HD21 LEU 35 13.873 -0.738 5.096 1021 H ILE 36 HN ILE 36 14.928 4.673 5.644 1022 HA ILE 36 HA ILE 36 14.332 4.967 2.802 1023 HB ILE 36 HB ILE 36 15.076 6.955 4.974 1024 1HG1 ILE 36 HG12 ILE 36 12.637 7.730 4.191 1025 2HG1 ILE 36 HG11 ILE 36 12.517 6.064 3.639 1026 1HG2 ILE 36 HG21 ILE 36 14.552 7.418 2.029 1027 2HG2 ILE 36 HG23 ILE 36 14.377 8.690 3.238 1028 3HG2 ILE 36 HG22 ILE 36 15.949 7.936 2.976 1029 1HD1 ILE 36 HD13 ILE 36 13.214 6.952 6.451 1030 2HD1 ILE 36 HD12 ILE 36 11.661 6.298 5.932 1031 3HD1 ILE 36 HD11 ILE 36 13.099 5.283 5.906 1032 H ASN 37 HN ASN 37 17.248 4.999 4.775 1033 HA ASN 37 HA ASN 37 19.002 6.303 2.994 1034 1HB ASN 37 HB2 ASN 37 19.537 5.620 5.338 1035 2HB ASN 37 HB1 ASN 37 19.685 3.954 4.775 1036 1HD2 ASN 37 HD22 ASN 37 22.581 6.680 3.748 1037 2HD2 ASN 37 HD21 ASN 37 21.068 7.231 4.286 1038 H ASN 38 HN ASN 38 19.091 2.763 3.420 1039 HA ASN 38 HA ASN 38 20.310 2.472 0.788 1040 1HB ASN 38 HB2 ASN 38 20.510 0.130 1.350 1041 2HB ASN 38 HB1 ASN 38 20.939 1.095 2.763 1042 1HD2 ASN 38 HD22 ASN 38 17.629 -1.285 2.874 1043 2HD2 ASN 38 HD21 ASN 38 18.508 -1.096 1.434 1044 H GLU 39 HN GLU 39 17.007 2.236 1.911 1045 HA GLU 39 HA GLU 39 16.256 0.526 -0.384 1046 1HB GLU 39 HB2 GLU 39 15.247 0.673 2.113 1047 2HB GLU 39 HB1 GLU 39 14.155 1.808 1.326 1048 1HG GLU 39 HG2 GLU 39 14.695 -1.022 0.360 1049 2HG GLU 39 HG1 GLU 39 13.296 -0.536 1.314 1050 H LEU 40 HN LEU 40 14.595 3.503 0.718 1051 HA LEU 40 HA LEU 40 14.206 4.236 -2.129 1052 1HB LEU 40 HB2 LEU 40 12.769 4.630 0.344 1053 2HB LEU 40 HB1 LEU 40 13.120 6.218 -0.325 1054 HG LEU 40 HG LEU 40 12.184 5.344 -2.541 1055 1HD1 LEU 40 HD11 LEU 40 11.293 3.129 -0.670 1056 2HD1 LEU 40 HD13 LEU 40 10.573 3.422 -2.250 1057 3HD1 LEU 40 HD12 LEU 40 12.267 2.955 -2.129 1058 1HD2 LEU 40 HD23 LEU 40 10.483 5.605 -0.050 1059 2HD2 LEU 40 HD22 LEU 40 10.861 6.858 -1.233 1060 3HD2 LEU 40 HD21 LEU 40 9.791 5.526 -1.671 1061 H SER 41 HN SER 41 15.852 5.367 -3.051 1062 HA SER 41 HA SER 41 16.935 7.722 -1.589 1063 1HB SER 41 HB2 SER 41 19.250 7.058 -2.094 1064 2HB SER 41 HB1 SER 41 18.463 5.840 -1.094 1065 HG SER 41 HG SER 41 19.624 5.470 -3.397 1066 H HIS 42 HN HIS 42 15.295 6.919 -4.134 1067 HA HIS 42 HA HIS 42 16.865 8.638 -6.040 1068 1HB HIS 42 HB2 HIS 42 16.752 6.175 -6.640 1069 2HB HIS 42 HB1 HIS 42 15.010 6.378 -6.819 1070 HD1 HIS 42 HD1 HIS 42 14.186 7.330 -8.993 1071 HD2 HIS 42 HD2 HIS 42 18.290 7.894 -8.497 1072 HE1 HIS 42 HE1 HIS 42 15.049 8.274 -11.180 1073 HE2 HIS 42 HE2 HIS 42 17.545 8.621 -10.889 1074 H PHE 43 HN PHE 43 13.806 8.010 -4.494 1075 HA PHE 43 HA PHE 43 12.224 9.550 -6.401 1076 1HB PHE 43 HB2 PHE 43 11.687 8.501 -3.617 1077 2HB PHE 43 HB1 PHE 43 10.508 9.471 -4.497 1078 HD1 PHE 43 HD2 PHE 43 12.530 6.342 -4.664 1079 HD2 PHE 43 HD1 PHE 43 9.151 8.509 -6.197 1080 HE1 PHE 43 HE2 PHE 43 11.780 4.314 -5.885 1081 HE2 PHE 43 HE1 PHE 43 8.404 6.482 -7.416 1082 HZ PHE 43 HZ PHE 43 9.717 4.385 -7.258 1083 H LEU 44 HN LEU 44 12.984 10.224 -2.947 1084 HA LEU 44 HA LEU 44 12.470 13.095 -3.450 1085 1HB LEU 44 HB2 LEU 44 13.151 13.067 -0.845 1086 2HB LEU 44 HB1 LEU 44 11.536 12.636 -1.390 1087 HG LEU 44 HG LEU 44 13.599 10.449 -1.284 1088 1HD1 LEU 44 HD13 LEU 44 12.235 11.657 1.134 1089 2HD1 LEU 44 HD12 LEU 44 12.964 10.052 1.120 1090 3HD1 LEU 44 HD11 LEU 44 13.969 11.478 0.862 1091 1HD2 LEU 44 HD21 LEU 44 11.151 10.245 -2.086 1092 2HD2 LEU 44 HD23 LEU 44 11.704 9.063 -0.900 1093 3HD2 LEU 44 HD22 LEU 44 10.708 10.426 -0.391 1094 H GLU 45 HN GLU 45 15.039 11.586 -1.479 1095 HA GLU 45 HA GLU 45 17.334 12.027 -1.381 1096 1HB GLU 45 HB2 GLU 45 17.011 11.562 -3.929 1097 2HB GLU 45 HB1 GLU 45 17.156 13.309 -4.110 1098 1HG GLU 45 HG2 GLU 45 19.341 13.270 -2.997 1099 2HG GLU 45 HG1 GLU 45 19.197 11.529 -2.747 1100 H GLU 46 HN GLU 46 15.126 14.098 -0.808 1101 HA GLU 46 HA GLU 46 16.612 16.639 -1.185 1102 1HB GLU 46 HB2 GLU 46 14.595 17.723 -0.405 1103 2HB GLU 46 HB1 GLU 46 14.125 16.490 -1.576 1104 1HG GLU 46 HG2 GLU 46 13.773 14.921 0.401 1105 2HG GLU 46 HG1 GLU 46 13.953 16.329 1.444 1106 H ILE 47 HN ILE 47 16.692 14.172 1.039 1107 HA ILE 47 HA ILE 47 16.712 15.772 3.487 1108 HB ILE 47 HB ILE 47 17.721 12.958 2.961 1109 1HG1 ILE 47 HG12 ILE 47 15.134 13.848 4.266 1110 2HG1 ILE 47 HG11 ILE 47 15.251 13.412 2.561 1111 1HG2 ILE 47 HG22 ILE 47 17.359 14.609 5.466 1112 2HG2 ILE 47 HG21 ILE 47 17.296 12.847 5.525 1113 3HG2 ILE 47 HG23 ILE 47 18.757 13.658 4.964 1114 1HD1 ILE 47 HD12 ILE 47 16.118 11.182 3.197 1115 2HD1 ILE 47 HD11 ILE 47 15.967 11.617 4.900 1116 3HD1 ILE 47 HD13 ILE 47 14.525 11.474 3.895 1117 H LYS 48 HN LYS 48 18.360 17.173 3.872 1118 HA LYS 48 HA LYS 48 21.097 16.499 2.865 1119 1HB LYS 48 HB2 LYS 48 19.878 19.134 3.747 1120 2HB LYS 48 HB1 LYS 48 21.556 18.931 3.249 1121 1HG LYS 48 HG2 LYS 48 19.326 18.031 1.429 1122 2HG LYS 48 HG1 LYS 48 19.778 19.731 1.487 1123 1HD LYS 48 HD2 LYS 48 21.961 17.683 1.140 1124 2HD LYS 48 HD1 LYS 48 20.950 18.082 -0.243 1125 1HE LYS 48 HE2 LYS 48 22.304 20.204 1.431 1126 2HE LYS 48 HE1 LYS 48 23.080 19.465 0.030 1127 1HZ LYS 48 HZ2 LYS 48 20.520 20.144 -0.761 1128 2HZ LYS 48 HZ1 LYS 48 21.103 21.484 0.105 1129 3HZ LYS 48 HZ3 LYS 48 21.973 20.893 -1.225 1130 H GLU 49 HN GLU 49 19.512 17.933 5.745 1131 HA GLU 49 HA GLU 49 21.877 17.062 7.374 1132 1HB GLU 49 HB2 GLU 49 19.807 19.222 7.842 1133 2HB GLU 49 HB1 GLU 49 21.050 18.769 9.008 1134 1HG GLU 49 HG2 GLU 49 21.664 19.638 6.174 1135 2HG GLU 49 HG1 GLU 49 21.658 20.743 7.549 1136 H GLN 50 HN GLN 50 21.466 16.190 9.486 1137 HA GLN 50 HA GLN 50 19.452 14.181 9.604 1138 1HB GLN 50 HB2 GLN 50 21.526 14.081 10.934 1139 2HB GLN 50 HB1 GLN 50 20.998 15.477 11.873 1140 1HG GLN 50 HG2 GLN 50 19.057 14.225 12.698 1141 2HG GLN 50 HG1 GLN 50 19.504 12.840 11.702 1142 1HE2 GLN 50 HE22 GLN 50 21.525 11.562 14.266 1143 2HE2 GLN 50 HE21 GLN 50 20.460 11.268 12.977 1144 H GLU 51 HN GLU 51 19.555 17.485 10.855 1145 HA GLU 51 HA GLU 51 17.300 17.455 12.526 1146 1HB GLU 51 HB2 GLU 51 18.176 19.662 10.633 1147 2HB GLU 51 HB1 GLU 51 17.089 19.865 12.007 1148 1HG GLU 51 HG2 GLU 51 19.930 18.830 12.219 1149 2HG GLU 51 HG1 GLU 51 19.453 20.499 12.532 1150 H VAL 52 HN VAL 52 17.474 17.548 8.995 1151 HA VAL 52 HA VAL 52 14.757 18.226 8.485 1152 HB VAL 52 HB VAL 52 16.698 16.498 6.920 1153 1HG1 VAL 52 HG13 VAL 52 13.920 17.496 6.262 1154 2HG1 VAL 52 HG12 VAL 52 15.086 17.089 5.003 1155 3HG1 VAL 52 HG11 VAL 52 14.546 15.851 6.137 1156 1HG2 VAL 52 HG23 VAL 52 17.153 18.990 7.353 1157 2HG2 VAL 52 HG22 VAL 52 17.133 18.478 5.665 1158 3HG2 VAL 52 HG21 VAL 52 15.737 19.309 6.351 1159 H VAL 53 HN VAL 53 16.286 15.070 9.152 1160 HA VAL 53 HA VAL 53 13.984 13.457 8.673 1161 HB VAL 53 HB VAL 53 16.356 13.091 10.527 1162 1HG1 VAL 53 HG11 VAL 53 13.946 11.330 10.061 1163 2HG1 VAL 53 HG13 VAL 53 15.511 10.609 10.437 1164 3HG1 VAL 53 HG12 VAL 53 14.755 11.719 11.578 1165 1HG2 VAL 53 HG22 VAL 53 15.536 11.876 7.868 1166 2HG2 VAL 53 HG21 VAL 53 16.869 13.000 8.141 1167 3HG2 VAL 53 HG23 VAL 53 16.941 11.366 8.804 1168 H ASP 54 HN ASP 54 15.064 15.157 11.618 1169 HA ASP 54 HA ASP 54 13.039 14.169 13.360 1170 1HB ASP 54 HB2 ASP 54 15.008 15.444 14.148 1171 2HB ASP 54 HB1 ASP 54 14.366 16.897 13.381 1172 H LYS 55 HN LYS 55 13.068 17.094 11.305 1173 HA LYS 55 HA LYS 55 10.481 18.033 12.029 1174 1HB LYS 55 HB2 LYS 55 12.106 19.372 10.737 1175 2HB LYS 55 HB1 LYS 55 11.918 18.284 9.367 1176 1HG LYS 55 HG2 LYS 55 9.514 18.867 9.230 1177 2HG LYS 55 HG1 LYS 55 9.704 19.969 10.592 1178 1HD LYS 55 HD2 LYS 55 11.560 20.345 8.259 1179 2HD LYS 55 HD1 LYS 55 9.878 20.807 8.028 1180 1HE LYS 55 HE2 LYS 55 11.310 22.688 8.836 1181 2HE LYS 55 HE1 LYS 55 9.973 22.325 9.925 1182 1HZ LYS 55 HZ1 LYS 55 12.690 21.193 10.269 1183 2HZ LYS 55 HZ3 LYS 55 12.200 22.644 10.998 1184 3HZ LYS 55 HZ2 LYS 55 11.410 21.190 11.387 1185 H VAL 56 HN VAL 56 11.519 15.745 9.521 1186 HA VAL 56 HA VAL 56 8.910 15.368 8.377 1187 HB VAL 56 HB VAL 56 11.388 13.623 8.431 1188 1HG1 VAL 56 HG11 VAL 56 8.795 13.263 6.902 1189 2HG1 VAL 56 HG13 VAL 56 10.292 12.415 6.517 1190 3HG1 VAL 56 HG12 VAL 56 9.501 12.143 8.068 1191 1HG2 VAL 56 HG21 VAL 56 11.317 15.907 7.217 1192 2HG2 VAL 56 HG23 VAL 56 11.845 14.509 6.281 1193 3HG2 VAL 56 HG22 VAL 56 10.204 15.129 6.092 1194 H MET 57 HN MET 57 10.688 13.727 10.980 1195 HA MET 57 HA MET 57 8.827 11.620 11.422 1196 1HB MET 57 HB2 MET 57 11.098 11.719 12.440 1197 2HB MET 57 HB1 MET 57 10.539 13.022 13.491 1198 1HG MET 57 HG2 MET 57 8.880 11.578 14.505 1199 2HG MET 57 HG1 MET 57 9.245 10.287 13.361 1200 1HE MET 57 HE3 MET 57 9.240 8.891 15.390 1201 2HE MET 57 HE2 MET 57 10.532 8.242 14.381 1202 3HE MET 57 HE1 MET 57 10.774 8.394 16.119 1203 H GLU 58 HN GLU 58 8.967 14.913 12.767 1204 HA GLU 58 HA GLU 58 6.779 14.576 14.579 1205 1HB GLU 58 HB2 GLU 58 7.924 17.031 13.226 1206 2HB GLU 58 HB1 GLU 58 6.649 17.107 14.447 1207 1HG GLU 58 HG2 GLU 58 8.109 15.918 16.048 1208 2HG GLU 58 HG1 GLU 58 9.384 15.848 14.831 1209 H THR 59 HN THR 59 6.910 15.603 11.184 1210 HA THR 59 HA THR 59 4.104 16.210 10.969 1211 HB THR 59 HB THR 59 6.085 15.316 8.843 1212 HG1 THR 59 HG1 THR 59 5.244 17.873 9.730 1213 1HG2 THR 59 HG22 THR 59 3.476 15.292 8.372 1214 2HG2 THR 59 HG21 THR 59 3.680 17.041 8.316 1215 3HG2 THR 59 HG23 THR 59 4.576 16.012 7.202 1216 H LEU 60 HN LEU 60 6.016 13.278 10.211 1217 HA LEU 60 HA LEU 60 3.819 11.696 9.339 1218 1HB LEU 60 HB2 LEU 60 6.113 10.972 8.954 1219 2HB LEU 60 HB1 LEU 60 6.406 10.866 10.687 1220 HG LEU 60 HG LEU 60 4.732 9.058 10.875 1221 1HD1 LEU 60 HD12 LEU 60 4.369 9.657 7.937 1222 2HD1 LEU 60 HD11 LEU 60 3.980 8.067 8.590 1223 3HD1 LEU 60 HD13 LEU 60 3.135 9.493 9.187 1224 1HD2 LEU 60 HD23 LEU 60 7.149 8.602 10.284 1225 2HD2 LEU 60 HD22 LEU 60 6.020 7.338 9.798 1226 3HD2 LEU 60 HD21 LEU 60 6.642 8.473 8.599 1227 H ASP 61 HN ASP 61 5.307 11.905 12.592 1228 HA ASP 61 HA ASP 61 3.191 10.229 13.725 1229 1HB ASP 61 HB2 ASP 61 5.518 10.186 14.601 1230 2HB ASP 61 HB1 ASP 61 5.312 11.851 15.153 1231 H GLU 62 HN GLU 62 1.529 11.867 12.835 1232 HA GLU 62 HA GLU 62 1.214 14.383 14.235 1233 1HB GLU 62 HB2 GLU 62 0.174 13.640 11.964 1234 2HB GLU 62 HB1 GLU 62 -1.048 12.839 12.950 1235 1HG GLU 62 HG2 GLU 62 -0.331 15.778 13.181 1236 2HG GLU 62 HG1 GLU 62 -1.702 15.159 12.261 1237 H ASP 63 HN ASP 63 0.192 11.078 14.727 1238 HA ASP 63 HA ASP 63 -1.815 11.459 16.692 1239 1HB ASP 63 HB2 ASP 63 -1.134 9.114 17.414 1240 2HB ASP 63 HB1 ASP 63 -1.545 9.295 15.707 1241 H GLY 64 HN GLY 64 1.728 11.296 17.021 1242 1HA GLY 64 HA2 GLY 64 2.879 12.512 18.781 1243 2HA GLY 64 HA1 GLY 64 1.425 12.427 19.768 1244 H ASP 65 HN ASP 65 2.690 9.598 18.081 1245 HA ASP 65 HA ASP 65 2.989 8.238 20.683 1246 1HB ASP 65 HB2 ASP 65 1.944 7.110 18.701 1247 2HB ASP 65 HB1 ASP 65 3.507 7.176 17.889 1248 H GLY 66 HN GLY 66 4.991 9.847 18.360 1249 1HA GLY 66 HA2 GLY 66 7.295 10.336 18.471 1250 2HA GLY 66 HA1 GLY 66 7.325 9.553 20.053 1251 H GLU 67 HN GLU 67 5.888 7.392 18.073 1252 HA GLU 67 HA GLU 67 8.432 6.157 17.091 1253 1HB GLU 67 HB2 GLU 67 6.244 4.820 18.720 1254 2HB GLU 67 HB1 GLU 67 7.539 3.950 17.894 1255 1HG GLU 67 HG2 GLU 67 9.220 5.147 19.213 1256 2HG GLU 67 HG1 GLU 67 7.956 6.091 20.002 1257 H CYS 68 HN CYS 68 8.038 4.652 15.291 1258 HA CYS 68 HA CYS 68 5.634 5.441 13.742 1259 1HB CYS 68 HB2 CYS 68 8.163 3.937 13.088 1260 2HB CYS 68 HB1 CYS 68 6.798 3.957 11.973 1261 HG CYS 68 HG CYS 68 7.356 6.290 11.352 1262 H ASP 69 HN ASP 69 3.824 4.267 13.995 1263 HA ASP 69 HA ASP 69 3.961 1.494 15.017 1264 1HB ASP 69 HB2 ASP 69 2.251 3.341 15.726 1265 2HB ASP 69 HB1 ASP 69 1.429 2.940 14.220 1266 H PHE 70 HN PHE 70 2.406 -0.099 13.839 1267 HA PHE 70 HA PHE 70 3.349 -0.486 11.180 1268 1HB PHE 70 HB2 PHE 70 2.306 -2.251 12.693 1269 2HB PHE 70 HB1 PHE 70 0.737 -1.556 12.283 1270 HD1 PHE 70 HD1 PHE 70 -0.108 -1.624 9.955 1271 HD2 PHE 70 HD2 PHE 70 3.583 -3.508 11.082 1272 HE1 PHE 70 HE1 PHE 70 -0.113 -2.907 7.832 1273 HE2 PHE 70 HE2 PHE 70 3.579 -4.791 8.962 1274 HZ PHE 70 HZ PHE 70 1.731 -4.492 7.337 1275 H GLN 71 HN GLN 71 0.335 0.936 12.429 1276 HA GLN 71 HA GLN 71 -0.936 1.383 9.914 1277 1HB GLN 71 HB2 GLN 71 -1.102 2.897 12.536 1278 2HB GLN 71 HB1 GLN 71 -2.163 3.201 11.161 1279 1HG GLN 71 HG2 GLN 71 -2.925 0.858 11.220 1280 2HG GLN 71 HG1 GLN 71 -1.865 0.546 12.596 1281 1HE2 GLN 71 HE22 GLN 71 -5.492 2.051 13.305 1282 2HE2 GLN 71 HE21 GLN 71 -5.040 1.317 11.843 1283 H GLU 72 HN GLU 72 1.322 3.385 11.796 1284 HA GLU 72 HA GLU 72 1.240 5.675 10.081 1285 1HB GLU 72 HB2 GLU 72 3.379 4.633 11.953 1286 2HB GLU 72 HB1 GLU 72 3.494 6.181 11.114 1287 1HG GLU 72 HG2 GLU 72 1.511 7.007 12.193 1288 2HG GLU 72 HG1 GLU 72 1.142 5.417 12.861 1289 H PHE 73 HN PHE 73 3.207 2.744 10.076 1290 HA PHE 73 HA PHE 73 5.053 3.481 8.047 1291 1HB PHE 73 HB2 PHE 73 5.272 1.450 9.444 1292 2HB PHE 73 HB1 PHE 73 3.860 0.757 8.648 1293 HD1 PHE 73 HD2 PHE 73 3.946 0.070 6.291 1294 HD2 PHE 73 HD1 PHE 73 7.404 1.624 8.308 1295 HE1 PHE 73 HE2 PHE 73 5.390 -0.777 4.463 1296 HE2 PHE 73 HE1 PHE 73 8.850 0.781 6.479 1297 HZ PHE 73 HZ PHE 73 7.843 -0.422 4.556 1298 H MET 74 HN MET 74 1.853 1.928 7.830 1299 HA MET 74 HA MET 74 1.892 1.682 4.964 1300 1HB MET 74 HB2 MET 74 -0.436 1.809 6.901 1301 2HB MET 74 HB1 MET 74 -0.587 1.388 5.201 1302 1HG MET 74 HG2 MET 74 1.056 -0.113 7.265 1303 2HG MET 74 HG1 MET 74 -0.489 -0.640 6.603 1304 1HE MET 74 HE1 MET 74 -0.971 -0.774 4.198 1305 2HE MET 74 HE3 MET 74 0.103 0.295 3.284 1306 3HE MET 74 HE2 MET 74 0.121 -1.439 2.986 1307 H ALA 75 HN ALA 75 0.665 4.199 7.155 1308 HA ALA 75 HA ALA 75 -0.662 5.769 5.192 1309 1HB ALA 75 HB2 ALA 75 0.722 6.522 7.776 1310 2HB ALA 75 HB1 ALA 75 -0.153 7.695 6.791 1311 3HB ALA 75 HB3 ALA 75 -1.008 6.322 7.495 1312 H PHE 76 HN PHE 76 2.730 5.875 6.306 1313 HA PHE 76 HA PHE 76 3.538 8.071 4.683 1314 1HB PHE 76 HB2 PHE 76 4.935 7.097 6.494 1315 2HB PHE 76 HB1 PHE 76 5.180 5.656 5.507 1316 HD1 PHE 76 HD1 PHE 76 6.513 5.758 3.429 1317 HD2 PHE 76 HD2 PHE 76 6.027 9.196 5.959 1318 HE1 PHE 76 HE1 PHE 76 8.397 6.879 2.269 1319 HE2 PHE 76 HE2 PHE 76 7.909 10.317 4.796 1320 HZ PHE 76 HZ PHE 76 9.095 9.158 2.952 1321 H VAL 77 HN VAL 77 3.653 4.557 4.031 1322 HA VAL 77 HA VAL 77 4.711 4.769 1.390 1323 HB VAL 77 HB VAL 77 2.942 2.675 2.686 1324 1HG1 VAL 77 HG12 VAL 77 4.302 2.699 -0.019 1325 2HG1 VAL 77 HG11 VAL 77 3.782 1.215 0.780 1326 3HG1 VAL 77 HG13 VAL 77 2.593 2.434 0.324 1327 1HG2 VAL 77 HG21 VAL 77 5.916 2.916 2.163 1328 2HG2 VAL 77 HG23 VAL 77 5.105 2.785 3.723 1329 3HG2 VAL 77 HG22 VAL 77 5.143 1.402 2.631 1330 H SER 78 HN SER 78 1.349 4.652 2.575 1331 HA SER 78 HA SER 78 0.082 4.712 0.027 1332 1HB SER 78 HB2 SER 78 -1.073 4.274 2.215 1333 2HB SER 78 HB1 SER 78 -0.926 5.989 2.586 1334 HG SER 78 HG SER 78 -2.613 4.674 0.856 1335 H MET 79 HN MET 79 1.126 7.368 2.163 1336 HA MET 79 HA MET 79 0.093 9.493 0.584 1337 1HB MET 79 HB2 MET 79 1.001 9.747 2.899 1338 2HB MET 79 HB1 MET 79 2.626 9.527 2.250 1339 1HG MET 79 HG2 MET 79 2.390 11.508 0.854 1340 2HG MET 79 HG1 MET 79 0.706 11.690 1.337 1341 1HE MET 79 HE2 MET 79 4.269 11.496 2.217 1342 2HE MET 79 HE1 MET 79 4.531 12.528 3.618 1343 3HE MET 79 HE3 MET 79 3.952 10.872 3.833 1344 H VAL 80 HN VAL 80 3.203 7.772 0.393 1345 HA VAL 80 HA VAL 80 4.295 9.472 -1.663 1346 HB VAL 80 HB VAL 80 4.936 6.620 -0.856 1347 1HG1 VAL 80 HG11 VAL 80 6.273 8.485 -2.832 1348 2HG1 VAL 80 HG13 VAL 80 7.108 7.112 -2.106 1349 3HG1 VAL 80 HG12 VAL 80 5.691 6.846 -3.120 1350 1HG2 VAL 80 HG21 VAL 80 5.335 8.552 0.767 1351 2HG2 VAL 80 HG23 VAL 80 6.756 7.588 0.363 1352 3HG2 VAL 80 HG22 VAL 80 6.515 9.163 -0.393 1353 H THR 81 HN THR 81 2.558 6.347 -1.777 1354 HA THR 81 HA THR 81 2.740 5.999 -4.599 1355 HB THR 81 HB THR 81 0.441 5.121 -2.826 1356 HG1 THR 81 HG1 THR 81 3.055 4.163 -3.208 1357 1HG2 THR 81 HG23 THR 81 0.414 4.910 -5.452 1358 2HG2 THR 81 HG22 THR 81 1.583 3.622 -5.170 1359 3HG2 THR 81 HG21 THR 81 -0.029 3.516 -4.470 1360 H THR 82 HN THR 82 0.334 7.705 -2.606 1361 HA THR 82 HA THR 82 -1.396 8.373 -4.807 1362 HB THR 82 HB THR 82 -2.259 10.138 -3.224 1363 HG1 THR 82 HG1 THR 82 -0.960 10.703 -1.702 1364 1HG2 THR 82 HG23 THR 82 -1.903 7.340 -2.112 1365 2HG2 THR 82 HG22 THR 82 -3.098 8.509 -1.551 1366 3HG2 THR 82 HG21 THR 82 -3.190 7.874 -3.194 1367 H ALA 83 HN ALA 83 1.344 10.014 -3.271 1368 HA ALA 83 HA ALA 83 1.102 12.427 -4.851 1369 1HB ALA 83 HB2 ALA 83 3.465 11.302 -3.321 1370 2HB ALA 83 HB1 ALA 83 3.349 12.944 -3.956 1371 3HB ALA 83 HB3 ALA 83 2.252 12.411 -2.682 1372 H CYS 84 HN CYS 84 2.552 9.312 -5.424 1373 HA CYS 84 HA CYS 84 4.637 9.811 -7.161 1374 1HB CYS 84 HB2 CYS 84 4.238 7.685 -8.151 1375 2HB CYS 84 HB1 CYS 84 3.631 7.554 -6.504 1376 HG CYS 84 HG CYS 84 1.541 8.301 -8.663 1377 H HIS 85 HN HIS 85 4.794 11.212 -8.826 1378 HA HIS 85 HA HIS 85 2.363 11.870 -10.426 1379 1HB HIS 85 HB2 HIS 85 3.593 13.786 -9.563 1380 2HB HIS 85 HB1 HIS 85 5.097 13.176 -10.251 1381 HD1 HIS 85 HD1 HIS 85 1.595 13.969 -11.587 1382 HD2 HIS 85 HD2 HIS 85 5.602 14.383 -12.676 1383 HE1 HIS 85 HE1 HIS 85 1.611 15.153 -13.827 1384 HE2 HIS 85 HE2 HIS 85 4.044 15.411 -14.499 1385 H GLU 86 HN GLU 86 5.713 10.736 -10.812 1386 HA GLU 86 HA GLU 86 5.505 10.453 -13.679 1387 1HB GLU 86 HB2 GLU 86 7.632 9.220 -13.520 1388 2HB GLU 86 HB1 GLU 86 7.690 10.711 -12.587 1389 1HG GLU 86 HG2 GLU 86 7.037 8.020 -11.348 1390 2HG GLU 86 HG1 GLU 86 8.666 8.677 -11.428 1391 H PHE 87 HN PHE 87 4.967 8.662 -14.905 1392 HA PHE 87 HA PHE 87 3.804 6.325 -13.426 1393 1HB PHE 87 HB2 PHE 87 3.128 7.487 -16.142 1394 2HB PHE 87 HB1 PHE 87 2.448 5.991 -15.501 1395 HD1 PHE 87 HD2 PHE 87 0.948 6.014 -13.555 1396 HD2 PHE 87 HD1 PHE 87 2.480 9.652 -15.244 1397 HE1 PHE 87 HE2 PHE 87 -0.755 7.313 -12.302 1398 HE2 PHE 87 HE1 PHE 87 0.780 10.952 -13.989 1399 HZ PHE 87 HZ PHE 87 -0.838 9.782 -12.519 1400 H PHE 88 HN PHE 88 4.429 4.247 -14.030 1401 HA PHE 88 HA PHE 88 6.805 4.065 -15.822 1402 1HB PHE 88 HB2 PHE 88 5.540 2.149 -13.844 1403 2HB PHE 88 HB1 PHE 88 6.862 1.686 -14.915 1404 HD1 PHE 88 HD1 PHE 88 8.959 3.256 -14.905 1405 HD2 PHE 88 HD2 PHE 88 6.040 3.113 -11.755 1406 HE1 PHE 88 HE1 PHE 88 10.603 4.243 -13.336 1407 HE2 PHE 88 HE2 PHE 88 7.687 4.104 -10.185 1408 HZ PHE 88 HZ PHE 88 9.968 4.669 -10.977 1409 H GLU 89 HN GLU 89 6.387 3.573 -17.931 1410 HA GLU 89 HA GLU 89 4.126 1.693 -18.547 1411 1HB GLU 89 HB2 GLU 89 3.699 4.162 -19.101 1412 2HB GLU 89 HB1 GLU 89 4.965 4.002 -20.316 1413 1HG GLU 89 HG2 GLU 89 3.717 2.320 -21.509 1414 2HG GLU 89 HG1 GLU 89 2.546 2.177 -20.199 1415 H HIS 90 HN HIS 90 7.201 1.448 -18.273 1416 HA HIS 90 HA HIS 90 8.295 1.048 -20.877 1417 1HB HIS 90 HB2 HIS 90 8.970 -0.552 -18.392 1418 2HB HIS 90 HB1 HIS 90 9.996 -0.309 -19.804 1419 HD1 HIS 90 HD1 HIS 90 10.191 2.529 -20.315 1420 HD2 HIS 90 HD2 HIS 90 9.768 1.165 -16.395 1421 HE1 HIS 90 HE1 HIS 90 11.078 4.369 -18.814 1422 HE2 HIS 90 HE2 HIS 90 10.818 3.552 -16.428 1423 H GLU 91 HN GLU 91 6.343 -1.034 -18.794 1424 HA GLU 91 HA GLU 91 6.584 -3.393 -20.449 1425 1HB GLU 91 HB2 GLU 91 5.839 -3.391 -18.041 1426 2HB GLU 91 HB1 GLU 91 4.322 -2.659 -18.562 1427 1HG GLU 91 HG2 GLU 91 3.860 -4.592 -20.007 1428 2HG GLU 91 HG1 GLU 91 5.400 -5.318 -19.547 No H/Q in entry = 1428 Start of MODEL 3 1 1H MET 0 HT1 MET 0 18.340 -5.261 -3.413 2 2H MET 0 HT3 MET 0 19.659 -6.318 -3.558 3 3H MET 0 HT2 MET 0 18.928 -5.676 -4.952 4 HA MET 0 HA MET 0 17.438 -7.293 -5.033 5 1HB MET 0 HB2 MET 0 17.949 -9.319 -3.835 6 2HB MET 0 HB1 MET 0 19.480 -8.536 -4.214 7 1HG MET 0 HG2 MET 0 19.936 -8.818 -1.985 8 2HG MET 0 HG1 MET 0 18.893 -7.419 -1.748 9 1HE MET 0 HE1 MET 0 19.366 -8.923 0.518 10 2HE MET 0 HE3 MET 0 18.287 -10.228 1.025 11 3HE MET 0 HE2 MET 0 19.607 -10.558 -0.093 12 H SER 1 HN SER 1 16.776 -4.967 -3.284 13 HA SER 1 HA SER 1 15.308 -5.989 -1.003 14 1HB SER 1 HB2 SER 1 16.089 -3.644 -1.115 15 2HB SER 1 HB1 SER 1 15.015 -3.355 -2.481 16 HG SER 1 HG SER 1 14.198 -2.778 -0.329 17 H GLU 2 HN GLU 2 13.433 -7.082 -1.117 18 HA GLU 2 HA GLU 2 11.978 -7.402 -3.586 19 1HB GLU 2 HB2 GLU 2 11.304 -8.138 -0.724 20 2HB GLU 2 HB1 GLU 2 10.324 -8.604 -2.116 21 1HG GLU 2 HG2 GLU 2 12.268 -9.755 -3.107 22 2HG GLU 2 HG1 GLU 2 13.252 -9.295 -1.717 23 H LEU 3 HN LEU 3 11.594 -5.298 -0.787 24 HA LEU 3 HA LEU 3 8.905 -4.501 -1.201 25 1HB LEU 3 HB2 LEU 3 10.308 -3.986 0.806 26 2HB LEU 3 HB1 LEU 3 11.167 -2.780 -0.142 27 HG LEU 3 HG LEU 3 8.150 -2.704 0.082 28 1HD1 LEU 3 HD12 LEU 3 10.187 -1.752 2.095 29 2HD1 LEU 3 HD11 LEU 3 8.600 -0.995 1.967 30 3HD1 LEU 3 HD13 LEU 3 8.731 -2.707 2.370 31 1HD2 LEU 3 HD21 LEU 3 10.323 -0.788 -0.747 32 2HD2 LEU 3 HD23 LEU 3 8.748 -1.086 -1.478 33 3HD2 LEU 3 HD22 LEU 3 8.867 -0.127 -0.010 34 H GLU 4 HN GLU 4 11.905 -2.944 -2.467 35 HA GLU 4 HA GLU 4 10.502 -0.905 -3.885 36 1HB GLU 4 HB2 GLU 4 12.543 -0.384 -4.934 37 2HB GLU 4 HB1 GLU 4 13.038 -1.099 -3.405 38 1HG GLU 4 HG2 GLU 4 14.423 -2.216 -4.923 39 2HG GLU 4 HG1 GLU 4 13.083 -3.344 -4.760 40 H LYS 5 HN LYS 5 11.432 -4.199 -4.883 41 HA LYS 5 HA LYS 5 10.548 -3.913 -7.609 42 1HB LYS 5 HB2 LYS 5 11.987 -5.799 -6.739 43 2HB LYS 5 HB1 LYS 5 10.551 -6.450 -5.946 44 1HG LYS 5 HG2 LYS 5 9.405 -6.590 -8.129 45 2HG LYS 5 HG1 LYS 5 10.845 -5.950 -8.922 46 1HD LYS 5 HD2 LYS 5 12.152 -7.885 -8.121 47 2HD LYS 5 HD1 LYS 5 10.711 -8.528 -7.330 48 1HE LYS 5 HE2 LYS 5 9.567 -8.617 -9.537 49 2HE LYS 5 HE1 LYS 5 11.049 -8.048 -10.305 50 1HZ LYS 5 HZ1 LYS 5 10.850 -10.515 -8.668 51 2HZ LYS 5 HZ3 LYS 5 10.787 -10.484 -10.362 52 3HZ LYS 5 HZ2 LYS 5 12.198 -9.990 -9.556 53 H ALA 6 HN ALA 6 8.961 -4.965 -4.625 54 HA ALA 6 HA ALA 6 6.484 -5.774 -5.770 55 1HB ALA 6 HB1 ALA 6 7.237 -4.717 -3.042 56 2HB ALA 6 HB3 ALA 6 5.587 -5.197 -3.432 57 3HB ALA 6 HB2 ALA 6 6.891 -6.382 -3.508 58 H MET 7 HN MET 7 7.597 -2.585 -4.637 59 HA MET 7 HA MET 7 5.115 -1.218 -4.901 60 1HB MET 7 HB2 MET 7 7.231 -0.320 -3.845 61 2HB MET 7 HB1 MET 7 7.859 -0.067 -5.474 62 1HG MET 7 HG2 MET 7 5.942 1.396 -5.990 63 2HG MET 7 HG1 MET 7 5.313 1.145 -4.361 64 1HE MET 7 HE2 MET 7 5.955 3.766 -5.923 65 2HE MET 7 HE1 MET 7 5.335 3.945 -4.284 66 3HE MET 7 HE3 MET 7 6.778 4.834 -4.789 67 H VAL 8 HN VAL 8 7.672 -1.889 -7.254 68 HA VAL 8 HA VAL 8 6.618 -0.364 -9.411 69 HB VAL 8 HB VAL 8 8.278 -2.901 -9.387 70 1HG1 VAL 8 HG13 VAL 8 7.441 -1.093 -11.663 71 2HG1 VAL 8 HG12 VAL 8 8.849 -2.151 -11.761 72 3HG1 VAL 8 HG11 VAL 8 7.242 -2.841 -11.538 73 1HG2 VAL 8 HG21 VAL 8 8.891 0.057 -9.564 74 2HG2 VAL 8 HG23 VAL 8 9.534 -1.129 -8.429 75 3HG2 VAL 8 HG22 VAL 8 10.042 -1.158 -10.116 76 H ALA 9 HN ALA 9 5.940 -3.686 -8.348 77 HA ALA 9 HA ALA 9 4.375 -4.490 -10.567 78 1HB ALA 9 HB1 ALA 9 5.185 -5.966 -8.695 79 2HB ALA 9 HB3 ALA 9 3.915 -5.282 -7.682 80 3HB ALA 9 HB2 ALA 9 3.491 -6.212 -9.118 81 H LEU 10 HN LEU 10 3.357 -2.734 -7.609 82 HA LEU 10 HA LEU 10 0.564 -2.825 -8.173 83 1HB LEU 10 HB2 LEU 10 2.297 -0.936 -6.597 84 2HB LEU 10 HB1 LEU 10 0.604 -0.534 -6.861 85 HG LEU 10 HG LEU 10 1.072 -1.789 -4.714 86 1HD1 LEU 10 HD11 LEU 10 -1.140 -1.888 -6.204 87 2HD1 LEU 10 HD13 LEU 10 -0.672 -3.580 -6.382 88 3HD1 LEU 10 HD12 LEU 10 -0.953 -2.905 -4.781 89 1HD2 LEU 10 HD23 LEU 10 2.817 -3.262 -5.893 90 2HD2 LEU 10 HD22 LEU 10 1.736 -4.062 -4.755 91 3HD2 LEU 10 HD21 LEU 10 1.451 -4.201 -6.490 92 H ILE 11 HN ILE 11 2.959 -0.299 -9.043 93 HA ILE 11 HA ILE 11 1.119 1.332 -10.472 94 HB ILE 11 HB ILE 11 4.095 0.952 -10.930 95 1HG1 ILE 11 HG12 ILE 11 2.595 3.116 -9.424 96 2HG1 ILE 11 HG11 ILE 11 3.334 1.718 -8.645 97 1HG2 ILE 11 HG21 ILE 11 2.153 3.077 -11.886 98 2HG2 ILE 11 HG23 ILE 11 3.907 3.246 -11.956 99 3HG2 ILE 11 HG22 ILE 11 3.106 1.986 -12.892 100 1HD1 ILE 11 HD11 ILE 11 5.528 2.377 -9.670 101 2HD1 ILE 11 HD13 ILE 11 4.756 3.847 -10.268 102 3HD1 ILE 11 HD12 ILE 11 4.899 3.568 -8.531 103 H ASP 12 HN ASP 12 3.259 -1.273 -11.658 104 HA ASP 12 HA ASP 12 2.452 -1.093 -14.384 105 1HB ASP 12 HB2 ASP 12 4.433 -2.370 -13.645 106 2HB ASP 12 HB1 ASP 12 3.378 -3.540 -12.851 107 H VAL 13 HN VAL 13 1.207 -3.190 -11.758 108 HA VAL 13 HA VAL 13 -0.788 -4.442 -13.407 109 HB VAL 13 HB VAL 13 -0.557 -4.104 -10.405 110 1HG1 VAL 13 HG12 VAL 13 -2.631 -5.521 -12.082 111 2HG1 VAL 13 HG11 VAL 13 -2.262 -6.056 -10.443 112 3HG1 VAL 13 HG13 VAL 13 -2.879 -4.428 -10.722 113 1HG2 VAL 13 HG23 VAL 13 1.144 -5.511 -11.589 114 2HG2 VAL 13 HG22 VAL 13 0.143 -6.438 -10.471 115 3HG2 VAL 13 HG21 VAL 13 -0.169 -6.517 -12.204 116 H PHE 14 HN PHE 14 -0.929 -1.646 -11.186 117 HA PHE 14 HA PHE 14 -3.724 -1.184 -11.419 118 1HB PHE 14 HB2 PHE 14 -2.303 -0.038 -9.748 119 2HB PHE 14 HB1 PHE 14 -1.523 0.870 -11.044 120 HD1 PHE 14 HD2 PHE 14 -2.732 2.626 -12.268 121 HD2 PHE 14 HD1 PHE 14 -4.613 0.396 -9.116 122 HE1 PHE 14 HE2 PHE 14 -4.581 4.281 -12.199 123 HE2 PHE 14 HE1 PHE 14 -6.458 2.048 -9.047 124 HZ PHE 14 HZ PHE 14 -6.445 3.990 -10.588 125 H HIS 15 HN HIS 15 -1.020 0.107 -13.363 126 HA HIS 15 HA HIS 15 -2.601 1.773 -15.038 127 1HB HIS 15 HB2 HIS 15 -0.029 1.639 -14.828 128 2HB HIS 15 HB1 HIS 15 -0.129 0.323 -15.998 129 HD1 HIS 15 HD1 HIS 15 -2.360 1.420 -17.829 130 HD2 HIS 15 HD2 HIS 15 0.842 3.720 -16.463 131 HE1 HIS 15 HE1 HIS 15 -2.119 3.354 -19.452 132 HE2 HIS 15 HE2 HIS 15 -0.178 4.763 -18.625 133 H GLN 16 HN GLN 16 -1.733 -1.673 -15.385 134 HA GLN 16 HA GLN 16 -2.809 -1.974 -18.013 135 1HB GLN 16 HB2 GLN 16 -2.440 -3.960 -15.760 136 2HB GLN 16 HB1 GLN 16 -2.986 -4.420 -17.374 137 1HG GLN 16 HG2 GLN 16 -0.939 -3.469 -18.352 138 2HG GLN 16 HG1 GLN 16 -0.391 -2.980 -16.748 139 1HE2 GLN 16 HE22 GLN 16 0.045 -6.845 -17.933 140 2HE2 GLN 16 HE21 GLN 16 -0.708 -5.704 -18.938 141 H TYR 17 HN TYR 17 -4.327 -2.940 -14.901 142 HA TYR 17 HA TYR 17 -6.876 -3.460 -16.108 143 1HB TYR 17 HB2 TYR 17 -5.969 -2.968 -13.271 144 2HB TYR 17 HB1 TYR 17 -7.682 -3.160 -13.649 145 HD1 TYR 17 HD2 TYR 17 -4.392 -4.826 -13.584 146 HD2 TYR 17 HD1 TYR 17 -8.569 -5.272 -14.476 147 HE1 TYR 17 HE2 TYR 17 -4.104 -7.286 -13.706 148 HE2 TYR 17 HE1 TYR 17 -8.281 -7.731 -14.602 149 HH TYR 17 HH TYR 17 -5.089 -9.234 -14.072 150 H SER 18 HN SER 18 -5.550 -0.552 -14.563 151 HA SER 18 HA SER 18 -8.002 0.939 -14.680 152 1HB SER 18 HB2 SER 18 -6.657 2.850 -14.173 153 2HB SER 18 HB1 SER 18 -5.917 1.500 -13.331 154 HG SER 18 HG SER 18 -4.577 3.006 -14.729 155 H GLY 19 HN GLY 19 -5.398 0.367 -16.990 156 1HA GLY 19 HA2 GLY 19 -6.416 2.333 -18.903 157 2HA GLY 19 HA1 GLY 19 -5.113 1.181 -19.192 158 H ARG 20 HN ARG 20 -7.204 -0.931 -18.110 159 HA ARG 20 HA ARG 20 -7.960 -1.925 -20.665 160 1HB ARG 20 HB2 ARG 20 -8.898 -2.520 -17.865 161 2HB ARG 20 HB1 ARG 20 -9.693 -3.283 -19.236 162 1HG ARG 20 HG2 ARG 20 -6.687 -3.370 -19.009 163 2HG ARG 20 HG1 ARG 20 -7.670 -4.501 -18.083 164 1HD ARG 20 HD2 ARG 20 -8.782 -5.204 -20.209 165 2HD ARG 20 HD1 ARG 20 -7.696 -4.147 -21.100 166 HE ARG 20 HE ARG 20 -6.023 -5.782 -19.576 167 1HH1 ARG 20 HH21 ARG 20 -8.542 -6.128 -21.899 168 2HH1 ARG 20 HH22 ARG 20 -7.940 -7.625 -22.528 169 1HH2 ARG 20 HH11 ARG 20 -5.219 -7.739 -20.382 170 2HH2 ARG 20 HH12 ARG 20 -6.059 -8.537 -21.668 171 H GLU 21 HN GLU 21 -9.803 0.072 -18.359 172 HA GLU 21 HA GLU 21 -11.545 0.909 -20.582 173 1HB GLU 21 HB2 GLU 21 -13.614 0.315 -19.316 174 2HB GLU 21 HB1 GLU 21 -12.687 -1.095 -19.829 175 1HG GLU 21 HG2 GLU 21 -11.688 -1.291 -17.606 176 2HG GLU 21 HG1 GLU 21 -12.529 0.167 -17.075 177 H GLY 22 HN GLY 22 -13.130 2.603 -19.803 178 1HA GLY 22 HA2 GLY 22 -13.736 4.318 -18.189 179 2HA GLY 22 HA1 GLY 22 -12.196 4.057 -17.366 180 H ASP 23 HN ASP 23 -12.635 6.636 -17.887 181 HA ASP 23 HA ASP 23 -12.022 7.617 -20.481 182 1HB ASP 23 HB2 ASP 23 -12.832 8.998 -18.544 183 2HB ASP 23 HB1 ASP 23 -11.223 8.866 -17.835 184 H LYS 24 HN LYS 24 -9.776 7.253 -17.699 185 HA LYS 24 HA LYS 24 -7.685 6.290 -19.531 186 1HB LYS 24 HB2 LYS 24 -7.462 8.935 -18.082 187 2HB LYS 24 HB1 LYS 24 -6.045 8.029 -18.604 188 1HG LYS 24 HG2 LYS 24 -6.997 8.028 -20.939 189 2HG LYS 24 HG1 LYS 24 -8.267 9.103 -20.361 190 1HD LYS 24 HD2 LYS 24 -6.716 10.647 -21.172 191 2HD LYS 24 HD1 LYS 24 -6.253 10.561 -19.474 192 1HE LYS 24 HE2 LYS 24 -4.456 8.991 -20.001 193 2HE LYS 24 HE1 LYS 24 -4.971 8.921 -21.686 194 1HZ LYS 24 HZ2 LYS 24 -4.686 11.535 -21.390 195 2HZ LYS 24 HZ1 LYS 24 -3.519 11.006 -20.275 196 3HZ LYS 24 HZ3 LYS 24 -3.420 10.521 -21.897 197 H HIS 25 HN HIS 25 -8.593 7.219 -16.193 198 HA HIS 25 HA HIS 25 -7.293 4.780 -15.242 199 1HB HIS 25 HB2 HIS 25 -5.854 6.096 -13.611 200 2HB HIS 25 HB1 HIS 25 -5.344 6.137 -15.298 201 HD1 HIS 25 HD1 HIS 25 -4.172 8.468 -14.654 202 HD2 HIS 25 HD2 HIS 25 -8.343 8.466 -14.553 203 HE1 HIS 25 HE1 HIS 25 -4.891 10.898 -14.632 204 HE2 HIS 25 HE2 HIS 25 -7.427 10.908 -14.568 205 H LYS 26 HN LYS 26 -9.668 4.615 -14.672 206 HA LYS 26 HA LYS 26 -10.014 5.549 -11.879 207 1HB LYS 26 HB2 LYS 26 -12.253 6.382 -12.214 208 2HB LYS 26 HB1 LYS 26 -11.199 7.219 -13.349 209 1HG LYS 26 HG2 LYS 26 -11.876 5.553 -15.107 210 2HG LYS 26 HG1 LYS 26 -13.049 4.897 -13.961 211 1HD LYS 26 HD2 LYS 26 -14.000 7.227 -13.736 212 2HD LYS 26 HD1 LYS 26 -12.965 7.711 -15.080 213 1HE LYS 26 HE2 LYS 26 -14.026 5.985 -16.504 214 2HE LYS 26 HE1 LYS 26 -15.077 5.534 -15.160 215 1HZ LYS 26 HZ1 LYS 26 -15.254 8.288 -15.437 216 2HZ LYS 26 HZ3 LYS 26 -15.376 7.649 -17.003 217 3HZ LYS 26 HZ2 LYS 26 -16.449 7.133 -15.791 218 H LEU 27 HN LEU 27 -11.665 4.235 -10.741 219 HA LEU 27 HA LEU 27 -11.890 1.513 -11.979 220 1HB LEU 27 HB2 LEU 27 -12.001 2.355 -9.068 221 2HB LEU 27 HB1 LEU 27 -12.088 0.698 -9.661 222 HG LEU 27 HG LEU 27 -9.748 2.590 -10.062 223 1HD1 LEU 27 HD12 LEU 27 -10.040 1.767 -7.728 224 2HD1 LEU 27 HD11 LEU 27 -10.006 0.111 -8.333 225 3HD1 LEU 27 HD13 LEU 27 -8.577 1.135 -8.484 226 1HD2 LEU 27 HD22 LEU 27 -10.400 -0.167 -11.085 227 2HD2 LEU 27 HD21 LEU 27 -9.586 1.167 -11.901 228 3HD2 LEU 27 HD23 LEU 27 -8.721 0.211 -10.701 229 H LYS 28 HN LYS 28 -13.839 0.775 -12.502 230 HA LYS 28 HA LYS 28 -16.269 2.212 -11.505 231 1HB LYS 28 HB2 LYS 28 -15.758 1.980 -14.025 232 2HB LYS 28 HB1 LYS 28 -16.145 0.271 -13.822 233 1HG LYS 28 HG2 LYS 28 -18.372 0.859 -12.964 234 2HG LYS 28 HG1 LYS 28 -17.986 2.575 -13.118 235 1HD LYS 28 HD2 LYS 28 -17.684 2.302 -15.545 236 2HD LYS 28 HD1 LYS 28 -18.056 0.583 -15.404 237 1HE LYS 28 HE2 LYS 28 -20.025 1.932 -16.130 238 2HE LYS 28 HE1 LYS 28 -20.303 1.097 -14.601 239 1HZ LYS 28 HZ2 LYS 28 -19.397 3.915 -14.831 240 2HZ LYS 28 HZ1 LYS 28 -21.011 3.445 -14.586 241 3HZ LYS 28 HZ3 LYS 28 -19.842 3.100 -13.408 242 H LYS 29 HN LYS 29 -18.186 0.694 -11.106 243 HA LYS 29 HA LYS 29 -17.490 -1.259 -9.168 244 1HB LYS 29 HB2 LYS 29 -19.704 -0.180 -9.257 245 2HB LYS 29 HB1 LYS 29 -20.056 -1.030 -10.762 246 1HG LYS 29 HG2 LYS 29 -19.978 -3.174 -9.668 247 2HG LYS 29 HG1 LYS 29 -19.341 -2.458 -8.191 248 1HD LYS 29 HD2 LYS 29 -21.646 -2.796 -7.738 249 2HD LYS 29 HD1 LYS 29 -21.513 -1.080 -8.105 250 1HE LYS 29 HE2 LYS 29 -22.217 -3.118 -10.229 251 2HE LYS 29 HE1 LYS 29 -23.440 -2.345 -9.226 252 1HZ LYS 29 HZ1 LYS 29 -21.746 -0.346 -10.152 253 2HZ LYS 29 HZ3 LYS 29 -22.130 -1.318 -11.488 254 3HZ LYS 29 HZ2 LYS 29 -23.371 -0.611 -10.568 255 H SER 30 HN SER 30 -18.408 -1.705 -12.605 256 HA SER 30 HA SER 30 -18.402 -4.556 -12.573 257 1HB SER 30 HB2 SER 30 -18.086 -4.396 -15.008 258 2HB SER 30 HB1 SER 30 -19.269 -3.210 -14.463 259 HG SER 30 HG SER 30 -17.996 -1.846 -15.436 260 H GLU 31 HN GLU 31 -15.780 -2.231 -13.101 261 HA GLU 31 HA GLU 31 -13.747 -4.084 -13.814 262 1HB GLU 31 HB2 GLU 31 -13.583 -1.576 -13.971 263 2HB GLU 31 HB1 GLU 31 -13.368 -1.535 -12.221 264 1HG GLU 31 HG2 GLU 31 -11.353 -2.876 -12.379 265 2HG GLU 31 HG1 GLU 31 -11.601 -3.115 -14.109 266 H LEU 32 HN LEU 32 -14.919 -3.030 -10.641 267 HA LEU 32 HA LEU 32 -12.868 -4.166 -9.052 268 1HB LEU 32 HB2 LEU 32 -15.813 -3.827 -8.449 269 2HB LEU 32 HB1 LEU 32 -14.590 -4.215 -7.241 270 HG LEU 32 HG LEU 32 -14.557 -1.739 -8.995 271 1HD1 LEU 32 HD13 LEU 32 -16.409 -1.963 -7.189 272 2HD1 LEU 32 HD12 LEU 32 -15.094 -1.812 -6.024 273 3HD1 LEU 32 HD11 LEU 32 -15.412 -0.509 -7.168 274 1HD2 LEU 32 HD22 LEU 32 -12.719 -2.858 -6.889 275 2HD2 LEU 32 HD21 LEU 32 -12.323 -2.026 -8.391 276 3HD2 LEU 32 HD23 LEU 32 -12.899 -1.108 -7.004 277 H LYS 33 HN LYS 33 -15.839 -5.709 -10.322 278 HA LYS 33 HA LYS 33 -15.561 -8.125 -8.850 279 1HB LYS 33 HB2 LYS 33 -17.589 -7.583 -10.140 280 2HB LYS 33 HB1 LYS 33 -16.681 -7.763 -11.642 281 1HG LYS 33 HG2 LYS 33 -16.376 -10.091 -11.320 282 2HG LYS 33 HG1 LYS 33 -16.804 -9.998 -9.613 283 1HD LYS 33 HD2 LYS 33 -18.690 -10.956 -10.756 284 2HD LYS 33 HD1 LYS 33 -19.135 -9.307 -10.328 285 1HE LYS 33 HE2 LYS 33 -17.960 -10.008 -13.027 286 2HE LYS 33 HE1 LYS 33 -19.695 -10.048 -12.714 287 1HZ LYS 33 HZ1 LYS 33 -19.034 -7.668 -11.705 288 2HZ LYS 33 HZ3 LYS 33 -17.915 -7.780 -12.974 289 3HZ LYS 33 HZ2 LYS 33 -19.579 -7.902 -13.297 290 H GLU 34 HN GLU 34 -14.332 -7.347 -12.141 291 HA GLU 34 HA GLU 34 -12.957 -9.877 -12.402 292 1HB GLU 34 HB2 GLU 34 -12.729 -7.233 -13.848 293 2HB GLU 34 HB1 GLU 34 -11.685 -8.599 -14.238 294 1HG GLU 34 HG2 GLU 34 -13.640 -8.589 -15.716 295 2HG GLU 34 HG1 GLU 34 -13.692 -9.996 -14.654 296 H LEU 35 HN LEU 35 -11.936 -6.644 -11.346 297 HA LEU 35 HA LEU 35 -9.151 -7.195 -11.113 298 1HB LEU 35 HB2 LEU 35 -10.109 -4.933 -11.020 299 2HB LEU 35 HB1 LEU 35 -10.888 -5.316 -9.490 300 HG LEU 35 HG LEU 35 -7.938 -5.811 -9.568 301 1HD1 LEU 35 HD11 LEU 35 -9.110 -3.018 -9.689 302 2HD1 LEU 35 HD13 LEU 35 -7.467 -3.376 -9.156 303 3HD1 LEU 35 HD12 LEU 35 -7.956 -3.737 -10.812 304 1HD2 LEU 35 HD22 LEU 35 -9.826 -4.449 -7.609 305 2HD2 LEU 35 HD21 LEU 35 -9.177 -6.081 -7.473 306 3HD2 LEU 35 HD23 LEU 35 -8.104 -4.693 -7.327 307 H ILE 36 HN ILE 36 -11.810 -7.614 -8.794 308 HA ILE 36 HA ILE 36 -10.118 -8.426 -6.613 309 HB ILE 36 HB ILE 36 -13.065 -8.845 -7.169 310 1HG1 ILE 36 HG12 ILE 36 -11.710 -7.037 -5.155 311 2HG1 ILE 36 HG11 ILE 36 -12.078 -6.504 -6.794 312 1HG2 ILE 36 HG22 ILE 36 -11.389 -9.505 -4.737 313 2HG2 ILE 36 HG21 ILE 36 -13.136 -9.290 -4.657 314 3HG2 ILE 36 HG23 ILE 36 -12.452 -10.585 -5.638 315 1HD1 ILE 36 HD12 ILE 36 -14.187 -7.720 -5.003 316 2HD1 ILE 36 HD11 ILE 36 -13.840 -5.990 -4.995 317 3HD1 ILE 36 HD13 ILE 36 -14.419 -6.767 -6.469 318 H ASN 37 HN ASN 37 -11.874 -10.269 -9.105 319 HA ASN 37 HA ASN 37 -11.463 -12.851 -8.020 320 1HB ASN 37 HB2 ASN 37 -11.758 -11.904 -10.871 321 2HB ASN 37 HB1 ASN 37 -11.671 -13.613 -10.441 322 1HD2 ASN 37 HD22 ASN 37 -15.249 -13.111 -10.332 323 2HD2 ASN 37 HD21 ASN 37 -13.994 -13.493 -11.409 324 H ASN 38 HN ASN 38 -9.280 -10.978 -10.171 325 HA ASN 38 HA ASN 38 -7.471 -13.198 -10.507 326 1HB ASN 38 HB2 ASN 38 -5.855 -11.404 -11.294 327 2HB ASN 38 HB1 ASN 38 -7.384 -11.499 -12.166 328 1HD2 ASN 38 HD22 ASN 38 -6.398 -8.067 -10.355 329 2HD2 ASN 38 HD21 ASN 38 -5.302 -9.341 -10.596 330 H GLU 39 HN GLU 39 -7.452 -10.455 -8.202 331 HA GLU 39 HA GLU 39 -4.937 -11.511 -7.030 332 1HB GLU 39 HB2 GLU 39 -5.559 -9.419 -5.410 333 2HB GLU 39 HB1 GLU 39 -4.703 -9.230 -6.936 334 1HG GLU 39 HG2 GLU 39 -6.633 -8.543 -8.087 335 2HG GLU 39 HG1 GLU 39 -7.716 -9.173 -6.846 336 H LEU 40 HN LEU 40 -7.750 -10.244 -5.227 337 HA LEU 40 HA LEU 40 -7.311 -12.194 -3.132 338 1HB LEU 40 HB2 LEU 40 -9.393 -10.087 -3.669 339 2HB LEU 40 HB1 LEU 40 -9.651 -11.256 -2.375 340 HG LEU 40 HG LEU 40 -7.467 -10.628 -1.389 341 1HD1 LEU 40 HD11 LEU 40 -7.423 -8.770 -3.770 342 2HD1 LEU 40 HD13 LEU 40 -6.492 -8.419 -2.313 343 3HD1 LEU 40 HD12 LEU 40 -6.177 -9.893 -3.226 344 1HD2 LEU 40 HD21 LEU 40 -9.383 -8.338 -1.930 345 2HD2 LEU 40 HD23 LEU 40 -9.472 -9.489 -0.596 346 3HD2 LEU 40 HD22 LEU 40 -8.147 -8.328 -0.670 347 H SER 41 HN SER 41 -8.352 -14.091 -2.716 348 HA SER 41 HA SER 41 -10.716 -14.875 -4.319 349 1HB SER 41 HB2 SER 41 -9.731 -16.798 -5.272 350 2HB SER 41 HB1 SER 41 -8.507 -15.552 -5.495 351 HG SER 41 HG SER 41 -8.602 -17.686 -3.666 352 H HIS 42 HN HIS 42 -8.277 -16.161 -2.009 353 HA HIS 42 HA HIS 42 -10.413 -17.670 -0.618 354 1HB HIS 42 HB2 HIS 42 -7.402 -17.585 -0.413 355 2HB HIS 42 HB1 HIS 42 -8.364 -18.341 0.856 356 HD1 HIS 42 HD1 HIS 42 -7.242 -18.803 -2.679 357 HD2 HIS 42 HD2 HIS 42 -9.775 -20.707 0.034 358 HE1 HIS 42 HE1 HIS 42 -7.769 -21.080 -3.662 359 HE2 HIS 42 HE2 HIS 42 -9.306 -22.247 -2.017 360 H PHE 43 HN PHE 43 -8.922 -14.588 -0.343 361 HA PHE 43 HA PHE 43 -8.879 -14.289 2.493 362 1HB PHE 43 HB2 PHE 43 -9.273 -12.306 0.245 363 2HB PHE 43 HB1 PHE 43 -9.293 -11.803 1.935 364 HD1 PHE 43 HD1 PHE 43 -7.276 -12.045 3.351 365 HD2 PHE 43 HD2 PHE 43 -7.227 -13.051 -0.826 366 HE1 PHE 43 HE1 PHE 43 -4.796 -12.046 3.379 367 HE2 PHE 43 HE2 PHE 43 -4.747 -13.052 -0.796 368 HZ PHE 43 HZ PHE 43 -3.531 -12.549 1.306 369 H LEU 44 HN LEU 44 -11.511 -13.891 0.140 370 HA LEU 44 HA LEU 44 -13.436 -13.634 2.426 371 1HB LEU 44 HB2 LEU 44 -15.043 -12.999 0.429 372 2HB LEU 44 HB1 LEU 44 -13.960 -11.791 1.097 373 HG LEU 44 HG LEU 44 -14.013 -11.853 -1.403 374 1HD1 LEU 44 HD11 LEU 44 -11.796 -11.523 0.278 375 2HD1 LEU 44 HD13 LEU 44 -11.208 -12.584 -1.005 376 3HD1 LEU 44 HD12 LEU 44 -11.922 -11.028 -1.406 377 1HD2 LEU 44 HD22 LEU 44 -14.209 -14.421 -1.416 378 2HD2 LEU 44 HD21 LEU 44 -13.177 -13.685 -2.638 379 3HD2 LEU 44 HD23 LEU 44 -12.459 -14.432 -1.215 380 H GLU 45 HN GLU 45 -15.528 -14.908 2.051 381 HA GLU 45 HA GLU 45 -14.922 -17.636 1.660 382 1HB GLU 45 HB2 GLU 45 -17.567 -16.177 1.388 383 2HB GLU 45 HB1 GLU 45 -17.418 -17.934 1.373 384 1HG GLU 45 HG2 GLU 45 -17.912 -17.378 3.633 385 2HG GLU 45 HG1 GLU 45 -16.179 -17.694 3.611 386 H GLU 46 HN GLU 46 -16.826 -15.611 -0.610 387 HA GLU 46 HA GLU 46 -15.353 -16.328 -2.936 388 1HB GLU 46 HB2 GLU 46 -16.263 -18.617 -2.479 389 2HB GLU 46 HB1 GLU 46 -17.893 -17.959 -2.573 390 1HG GLU 46 HG2 GLU 46 -17.593 -17.356 -4.883 391 2HG GLU 46 HG1 GLU 46 -15.870 -17.726 -4.811 392 H ILE 47 HN ILE 47 -16.122 -15.114 -4.705 393 HA ILE 47 HA ILE 47 -18.274 -13.194 -4.087 394 HB ILE 47 HB ILE 47 -16.625 -13.523 -6.616 395 1HG1 ILE 47 HG12 ILE 47 -15.145 -13.004 -4.756 396 2HG1 ILE 47 HG11 ILE 47 -15.352 -11.554 -5.734 397 1HG2 ILE 47 HG22 ILE 47 -18.467 -11.344 -5.608 398 2HG2 ILE 47 HG21 ILE 47 -17.334 -11.112 -6.941 399 3HG2 ILE 47 HG23 ILE 47 -18.635 -12.296 -7.083 400 1HD1 ILE 47 HD11 ILE 47 -17.316 -11.046 -4.034 401 2HD1 ILE 47 HD13 ILE 47 -16.428 -12.164 -2.999 402 3HD1 ILE 47 HD12 ILE 47 -15.648 -10.698 -3.588 403 H LYS 48 HN LYS 48 -20.371 -13.680 -4.571 404 HA LYS 48 HA LYS 48 -21.039 -14.890 -7.142 405 1HB LYS 48 HB2 LYS 48 -20.410 -16.845 -5.640 406 2HB LYS 48 HB1 LYS 48 -21.817 -16.433 -4.659 407 1HG LYS 48 HG2 LYS 48 -23.275 -16.685 -6.629 408 2HG LYS 48 HG1 LYS 48 -21.872 -17.092 -7.619 409 1HD LYS 48 HD2 LYS 48 -21.420 -19.009 -6.042 410 2HD LYS 48 HD1 LYS 48 -22.968 -18.660 -5.272 411 1HE LYS 48 HE2 LYS 48 -22.422 -19.712 -8.033 412 2HE LYS 48 HE1 LYS 48 -23.599 -20.269 -6.843 413 1HZ LYS 48 HZ1 LYS 48 -24.555 -17.880 -7.211 414 2HZ LYS 48 HZ3 LYS 48 -23.755 -18.008 -8.701 415 3HZ LYS 48 HZ2 LYS 48 -24.945 -19.145 -8.276 416 H GLU 49 HN GLU 49 -21.943 -13.456 -4.101 417 HA GLU 49 HA GLU 49 -24.773 -13.138 -5.016 418 1HB GLU 49 HB2 GLU 49 -23.431 -12.658 -2.337 419 2HB GLU 49 HB1 GLU 49 -25.111 -12.250 -2.678 420 1HG GLU 49 HG2 GLU 49 -25.190 -14.407 -1.677 421 2HG GLU 49 HG1 GLU 49 -25.398 -14.697 -3.403 422 H GLN 50 HN GLN 50 -25.584 -11.125 -5.494 423 HA GLN 50 HA GLN 50 -23.736 -9.031 -6.205 424 1HB GLN 50 HB2 GLN 50 -26.760 -9.063 -5.949 425 2HB GLN 50 HB1 GLN 50 -25.844 -7.704 -6.600 426 1HG GLN 50 HG2 GLN 50 -25.638 -10.518 -7.701 427 2HG GLN 50 HG1 GLN 50 -26.747 -9.308 -8.345 428 1HE2 GLN 50 HE22 GLN 50 -23.863 -7.178 -9.333 429 2HE2 GLN 50 HE21 GLN 50 -25.238 -6.987 -8.356 430 H GLU 51 HN GLU 51 -25.799 -9.627 -3.407 431 HA GLU 51 HA GLU 51 -25.697 -7.052 -2.213 432 1HB GLU 51 HB2 GLU 51 -25.845 -9.808 -0.962 433 2HB GLU 51 HB1 GLU 51 -26.030 -8.315 -0.048 434 1HG GLU 51 HG2 GLU 51 -28.249 -8.940 -0.555 435 2HG GLU 51 HG1 GLU 51 -27.875 -7.713 -1.762 436 H VAL 52 HN VAL 52 -23.416 -9.779 -1.987 437 HA VAL 52 HA VAL 52 -21.757 -8.691 0.046 438 HB VAL 52 HB VAL 52 -21.069 -10.492 -2.294 439 1HG1 VAL 52 HG13 VAL 52 -19.472 -9.620 0.119 440 2HG1 VAL 52 HG12 VAL 52 -19.122 -11.122 -0.737 441 3HG1 VAL 52 HG11 VAL 52 -18.995 -9.578 -1.579 442 1HG2 VAL 52 HG22 VAL 52 -22.773 -11.224 -0.513 443 2HG2 VAL 52 HG21 VAL 52 -21.396 -12.295 -0.770 444 3HG2 VAL 52 HG23 VAL 52 -21.424 -11.214 0.623 445 H VAL 53 HN VAL 53 -21.685 -8.231 -3.485 446 HA VAL 53 HA VAL 53 -19.292 -6.613 -3.460 447 HB VAL 53 HB VAL 53 -21.553 -6.895 -5.460 448 1HG1 VAL 53 HG13 VAL 53 -19.047 -5.210 -5.530 449 2HG1 VAL 53 HG12 VAL 53 -19.776 -5.812 -7.019 450 3HG1 VAL 53 HG11 VAL 53 -20.696 -4.749 -5.953 451 1HG2 VAL 53 HG23 VAL 53 -18.715 -7.952 -5.301 452 2HG2 VAL 53 HG22 VAL 53 -20.207 -8.893 -5.245 453 3HG2 VAL 53 HG21 VAL 53 -19.730 -8.084 -6.738 454 H ASP 54 HN ASP 54 -22.767 -5.853 -3.394 455 HA ASP 54 HA ASP 54 -22.526 -3.026 -3.572 456 1HB ASP 54 HB2 ASP 54 -24.675 -4.229 -3.772 457 2HB ASP 54 HB1 ASP 54 -24.586 -4.666 -2.067 458 H LYS 55 HN LYS 55 -22.538 -5.170 -0.728 459 HA LYS 55 HA LYS 55 -22.397 -3.146 1.261 460 1HB LYS 55 HB2 LYS 55 -22.864 -5.512 1.763 461 2HB LYS 55 HB1 LYS 55 -21.219 -5.941 1.299 462 1HG LYS 55 HG2 LYS 55 -20.331 -4.510 3.111 463 2HG LYS 55 HG1 LYS 55 -21.978 -4.080 3.575 464 1HD LYS 55 HD2 LYS 55 -22.466 -6.457 4.033 465 2HD LYS 55 HD1 LYS 55 -20.818 -6.883 3.571 466 1HE LYS 55 HE2 LYS 55 -20.977 -6.715 6.009 467 2HE LYS 55 HE1 LYS 55 -19.954 -5.420 5.386 468 1HZ LYS 55 HZ1 LYS 55 -22.608 -4.534 5.374 469 2HZ LYS 55 HZ3 LYS 55 -22.297 -5.203 6.901 470 3HZ LYS 55 HZ2 LYS 55 -21.310 -3.955 6.305 471 H VAL 56 HN VAL 56 -19.755 -4.913 -0.372 472 HA VAL 56 HA VAL 56 -17.656 -3.506 1.009 473 HB VAL 56 HB VAL 56 -17.711 -5.034 -1.610 474 1HG1 VAL 56 HG13 VAL 56 -15.385 -3.812 -0.102 475 2HG1 VAL 56 HG12 VAL 56 -15.194 -5.085 -1.308 476 3HG1 VAL 56 HG11 VAL 56 -15.849 -3.517 -1.778 477 1HG2 VAL 56 HG22 VAL 56 -18.114 -6.205 0.629 478 2HG2 VAL 56 HG21 VAL 56 -16.786 -6.835 -0.347 479 3HG2 VAL 56 HG23 VAL 56 -16.449 -5.788 1.033 480 H MET 57 HN MET 57 -19.289 -2.992 -2.101 481 HA MET 57 HA MET 57 -17.623 -0.821 -2.962 482 1HB MET 57 HB2 MET 57 -19.437 -2.293 -4.221 483 2HB MET 57 HB1 MET 57 -20.530 -1.001 -3.736 484 1HG MET 57 HG2 MET 57 -17.988 -0.698 -5.364 485 2HG MET 57 HG1 MET 57 -19.639 -0.518 -5.952 486 1HE MET 57 HE1 MET 57 -18.455 1.450 -6.952 487 2HE MET 57 HE3 MET 57 -18.276 3.031 -6.177 488 3HE MET 57 HE2 MET 57 -17.040 1.794 -5.960 489 H GLU 58 HN GLU 58 -20.743 -0.891 -1.242 490 HA GLU 58 HA GLU 58 -21.053 1.953 -1.088 491 1HB GLU 58 HB2 GLU 58 -22.804 0.101 -0.698 492 2HB GLU 58 HB1 GLU 58 -22.147 -0.006 0.934 493 1HG GLU 58 HG2 GLU 58 -23.164 2.567 -0.311 494 2HG GLU 58 HG1 GLU 58 -24.131 1.529 0.734 495 H THR 59 HN THR 59 -19.713 -0.393 1.256 496 HA THR 59 HA THR 59 -19.195 1.555 3.293 497 HB THR 59 HB THR 59 -17.789 -1.077 2.754 498 HG1 THR 59 HG1 THR 59 -19.992 -0.377 4.398 499 1HG2 THR 59 HG23 THR 59 -17.814 0.819 5.103 500 2HG2 THR 59 HG22 THR 59 -17.437 -0.892 5.300 501 3HG2 THR 59 HG21 THR 59 -16.423 0.120 4.273 502 H LEU 60 HN LEU 60 -17.199 0.324 0.624 503 HA LEU 60 HA LEU 60 -14.799 1.678 1.390 504 1HB LEU 60 HB2 LEU 60 -15.225 -0.181 -0.408 505 2HB LEU 60 HB1 LEU 60 -15.544 1.167 -1.491 506 HG LEU 60 HG LEU 60 -13.008 0.919 0.158 507 1HD1 LEU 60 HD11 LEU 60 -13.534 0.102 -2.710 508 2HD1 LEU 60 HD13 LEU 60 -11.945 0.181 -1.951 509 3HD1 LEU 60 HD12 LEU 60 -13.143 -0.977 -1.370 510 1HD2 LEU 60 HD23 LEU 60 -13.954 2.737 -2.063 511 2HD2 LEU 60 HD22 LEU 60 -13.219 3.168 -0.520 512 3HD2 LEU 60 HD21 LEU 60 -12.236 2.459 -1.793 513 H ASP 61 HN ASP 61 -17.407 2.627 -0.867 514 HA ASP 61 HA ASP 61 -16.219 5.250 -1.333 515 1HB ASP 61 HB2 ASP 61 -17.789 3.928 -2.903 516 2HB ASP 61 HB1 ASP 61 -19.098 4.490 -1.864 517 H GLU 62 HN GLU 62 -16.021 6.299 0.659 518 HA GLU 62 HA GLU 62 -18.084 6.359 2.663 519 1HB GLU 62 HB2 GLU 62 -15.694 8.149 2.151 520 2HB GLU 62 HB1 GLU 62 -16.731 8.289 3.571 521 1HG GLU 62 HG2 GLU 62 -16.217 5.977 4.206 522 2HG GLU 62 HG1 GLU 62 -15.226 5.783 2.760 523 H ASP 63 HN ASP 63 -17.206 8.595 0.033 524 HA ASP 63 HA ASP 63 -19.447 10.384 0.790 525 1HB ASP 63 HB2 ASP 63 -18.559 11.796 -1.093 526 2HB ASP 63 HB1 ASP 63 -17.399 11.505 0.204 527 H GLY 64 HN GLY 64 -19.204 7.591 -0.930 528 1HA GLY 64 HA2 GLY 64 -20.615 6.591 -2.517 529 2HA GLY 64 HA1 GLY 64 -21.768 7.869 -2.141 530 H ASP 65 HN ASP 65 -18.505 8.081 -3.586 531 HA ASP 65 HA ASP 65 -19.396 10.008 -5.546 532 1HB ASP 65 HB2 ASP 65 -16.879 8.334 -5.329 533 2HB ASP 65 HB1 ASP 65 -17.131 9.540 -6.592 534 H GLY 66 HN GLY 66 -19.443 6.561 -5.400 535 1HA GLY 66 HA2 GLY 66 -20.597 5.145 -6.944 536 2HA GLY 66 HA1 GLY 66 -20.615 6.467 -8.115 537 H GLU 67 HN GLU 67 -17.602 6.662 -7.124 538 HA GLU 67 HA GLU 67 -16.475 4.400 -8.683 539 1HB GLU 67 HB2 GLU 67 -15.106 5.950 -10.028 540 2HB GLU 67 HB1 GLU 67 -16.825 6.241 -10.296 541 1HG GLU 67 HG2 GLU 67 -16.717 8.059 -8.558 542 2HG GLU 67 HG1 GLU 67 -14.968 7.838 -8.512 543 H CYS 68 HN CYS 68 -14.210 4.063 -8.222 544 HA CYS 68 HA CYS 68 -13.276 5.409 -5.705 545 1HB CYS 68 HB2 CYS 68 -11.766 3.077 -5.942 546 2HB CYS 68 HB1 CYS 68 -13.200 3.254 -4.934 547 HG CYS 68 HG CYS 68 -13.068 1.728 -7.602 548 H ASP 69 HN ASP 69 -11.440 6.575 -5.845 549 HA ASP 69 HA ASP 69 -9.993 6.641 -8.426 550 1HB ASP 69 HB2 ASP 69 -10.703 8.741 -7.212 551 2HB ASP 69 HB1 ASP 69 -9.521 8.342 -5.964 552 H PHE 70 HN PHE 70 -7.469 7.148 -7.939 553 HA PHE 70 HA PHE 70 -6.295 4.669 -7.188 554 1HB PHE 70 HB2 PHE 70 -5.256 6.496 -8.617 555 2HB PHE 70 HB1 PHE 70 -4.929 7.373 -7.123 556 HD1 PHE 70 HD2 PHE 70 -3.511 6.239 -5.321 557 HD2 PHE 70 HD1 PHE 70 -3.842 4.733 -9.333 558 HE1 PHE 70 HE2 PHE 70 -1.450 4.896 -4.991 559 HE2 PHE 70 HE1 PHE 70 -1.786 3.394 -9.000 560 HZ PHE 70 HZ PHE 70 -0.590 3.476 -6.834 561 H GLN 71 HN GLN 71 -6.722 7.696 -5.361 562 HA GLN 71 HA GLN 71 -5.261 6.945 -3.037 563 1HB GLN 71 HB2 GLN 71 -6.176 9.242 -3.553 564 2HB GLN 71 HB1 GLN 71 -7.773 8.642 -3.109 565 1HG GLN 71 HG2 GLN 71 -6.873 9.703 -1.153 566 2HG GLN 71 HG1 GLN 71 -6.773 7.965 -0.870 567 1HE2 GLN 71 HE22 GLN 71 -3.345 8.354 -0.153 568 2HE2 GLN 71 HE21 GLN 71 -4.854 7.755 0.342 569 H GLU 72 HN GLU 72 -8.682 6.453 -3.896 570 HA GLU 72 HA GLU 72 -9.336 5.139 -1.412 571 1HB GLU 72 HB2 GLU 72 -10.695 5.184 -4.116 572 2HB GLU 72 HB1 GLU 72 -11.368 4.362 -2.713 573 1HG GLU 72 HG2 GLU 72 -11.269 6.502 -1.442 574 2HG GLU 72 HG1 GLU 72 -10.697 7.311 -2.900 575 H PHE 73 HN PHE 73 -8.001 4.048 -4.477 576 HA PHE 73 HA PHE 73 -8.502 1.256 -4.171 577 1HB PHE 73 HB2 PHE 73 -7.625 2.181 -6.268 578 2HB PHE 73 HB1 PHE 73 -6.130 2.650 -5.455 579 HD1 PHE 73 HD1 PHE 73 -8.176 -0.212 -6.606 580 HD2 PHE 73 HD2 PHE 73 -4.445 1.022 -4.876 581 HE1 PHE 73 HE1 PHE 73 -7.246 -2.476 -7.000 582 HE2 PHE 73 HE2 PHE 73 -3.513 -1.242 -5.267 583 HZ PHE 73 HZ PHE 73 -4.914 -2.992 -6.329 584 H MET 74 HN MET 74 -5.818 3.289 -3.010 585 HA MET 74 HA MET 74 -4.293 1.205 -1.806 586 1HB MET 74 HB2 MET 74 -4.562 4.130 -1.039 587 2HB MET 74 HB1 MET 74 -3.347 3.038 -0.375 588 1HG MET 74 HG2 MET 74 -3.688 3.595 -3.334 589 2HG MET 74 HG1 MET 74 -2.513 4.414 -2.309 590 1HE MET 74 HE1 MET 74 -0.806 3.483 -1.043 591 2HE MET 74 HE3 MET 74 -1.288 1.922 -0.366 592 3HE MET 74 HE2 MET 74 0.120 2.033 -1.417 593 H ALA 75 HN ALA 75 -7.058 3.082 -0.658 594 HA ALA 75 HA ALA 75 -6.994 2.267 2.063 595 1HB ALA 75 HB1 ALA 75 -9.357 2.966 0.304 596 2HB ALA 75 HB3 ALA 75 -9.451 2.753 2.048 597 3HB ALA 75 HB2 ALA 75 -8.475 4.054 1.370 598 H PHE 76 HN PHE 76 -8.313 0.663 -0.810 599 HA PHE 76 HA PHE 76 -9.769 -1.406 0.492 600 1HB PHE 76 HB2 PHE 76 -9.443 -0.766 -2.074 601 2HB PHE 76 HB1 PHE 76 -8.164 -1.967 -2.006 602 HD1 PHE 76 HD2 PHE 76 -9.184 -4.107 -0.318 603 HD2 PHE 76 HD1 PHE 76 -11.307 -1.671 -3.153 604 HE1 PHE 76 HE2 PHE 76 -10.873 -5.890 -0.588 605 HE2 PHE 76 HE1 PHE 76 -12.992 -3.462 -3.423 606 HZ PHE 76 HZ PHE 76 -12.776 -5.573 -2.142 607 H VAL 77 HN VAL 77 -6.381 -1.361 -0.636 608 HA VAL 77 HA VAL 77 -5.700 -3.919 0.464 609 HB VAL 77 HB VAL 77 -3.906 -1.550 -0.133 610 1HG1 VAL 77 HG13 VAL 77 -3.388 -4.486 0.359 611 2HG1 VAL 77 HG12 VAL 77 -2.230 -3.456 -0.483 612 3HG1 VAL 77 HG11 VAL 77 -2.675 -3.102 1.188 613 1HG2 VAL 77 HG21 VAL 77 -5.400 -2.437 -2.016 614 2HG2 VAL 77 HG23 VAL 77 -3.666 -2.447 -2.335 615 3HG2 VAL 77 HG22 VAL 77 -4.490 -3.942 -1.892 616 H SER 78 HN SER 78 -5.331 -0.605 1.743 617 HA SER 78 HA SER 78 -3.889 -1.313 4.085 618 1HB SER 78 HB2 SER 78 -4.482 0.849 4.930 619 2HB SER 78 HB1 SER 78 -4.301 1.022 3.186 620 HG SER 78 HG SER 78 -6.216 1.967 3.671 621 H MET 79 HN MET 79 -7.423 -1.005 3.608 622 HA MET 79 HA MET 79 -8.167 -1.595 6.291 623 1HB MET 79 HB2 MET 79 -9.687 -0.755 4.464 624 2HB MET 79 HB1 MET 79 -9.686 -2.385 3.794 625 1HG MET 79 HG2 MET 79 -10.334 -2.932 6.406 626 2HG MET 79 HG1 MET 79 -11.073 -1.343 6.215 627 1HE MET 79 HE1 MET 79 -11.939 -0.719 3.957 628 2HE MET 79 HE3 MET 79 -12.959 -1.726 2.923 629 3HE MET 79 HE2 MET 79 -13.577 -1.120 4.455 630 H VAL 80 HN VAL 80 -7.867 -3.771 3.487 631 HA VAL 80 HA VAL 80 -8.432 -6.162 4.974 632 HB VAL 80 HB VAL 80 -7.018 -5.724 2.328 633 1HG1 VAL 80 HG13 VAL 80 -7.901 -8.278 3.703 634 2HG1 VAL 80 HG12 VAL 80 -7.508 -8.179 1.987 635 3HG1 VAL 80 HG11 VAL 80 -6.267 -7.858 3.194 636 1HG2 VAL 80 HG22 VAL 80 -9.467 -5.116 2.557 637 2HG2 VAL 80 HG21 VAL 80 -9.133 -6.365 1.358 638 3HG2 VAL 80 HG23 VAL 80 -9.782 -6.810 2.936 639 H THR 81 HN THR 81 -5.399 -4.522 4.101 640 HA THR 81 HA THR 81 -3.614 -6.549 4.968 641 HB THR 81 HB THR 81 -3.249 -3.541 5.101 642 HG1 THR 81 HG1 THR 81 -2.427 -3.772 3.063 643 1HG2 THR 81 HG23 THR 81 -1.349 -5.878 5.299 644 2HG2 THR 81 HG22 THR 81 -0.801 -4.276 4.801 645 3HG2 THR 81 HG21 THR 81 -1.518 -4.507 6.396 646 H THR 82 HN THR 82 -5.166 -3.921 6.825 647 HA THR 82 HA THR 82 -3.761 -4.543 9.273 648 HB THR 82 HB THR 82 -5.629 -3.200 10.334 649 HG1 THR 82 HG1 THR 82 -7.102 -2.263 8.931 650 1HG2 THR 82 HG22 THR 82 -3.501 -2.222 9.354 651 2HG2 THR 82 HG21 THR 82 -4.430 -1.865 7.899 652 3HG2 THR 82 HG23 THR 82 -4.868 -1.113 9.432 653 H ALA 83 HN ALA 83 -6.858 -5.557 7.878 654 HA ALA 83 HA ALA 83 -7.588 -7.131 10.226 655 1HB ALA 83 HB3 ALA 83 -9.263 -6.119 8.655 656 2HB ALA 83 HB2 ALA 83 -8.725 -7.259 7.421 657 3HB ALA 83 HB1 ALA 83 -9.487 -7.852 8.897 658 H CYS 84 HN CYS 84 -5.461 -7.604 7.622 659 HA CYS 84 HA CYS 84 -5.797 -10.335 6.997 660 1HB CYS 84 HB2 CYS 84 -3.590 -10.297 6.146 661 2HB CYS 84 HB1 CYS 84 -4.137 -8.629 5.991 662 HG CYS 84 HG CYS 84 -1.700 -8.895 7.197 663 H HIS 85 HN HIS 85 -5.626 -12.136 8.211 664 HA HIS 85 HA HIS 85 -4.310 -11.949 10.897 665 1HB HIS 85 HB2 HIS 85 -5.715 -13.831 11.532 666 2HB HIS 85 HB1 HIS 85 -6.735 -12.587 10.809 667 HD1 HIS 85 HD1 HIS 85 -7.773 -15.447 10.736 668 HD2 HIS 85 HD2 HIS 85 -5.395 -13.843 7.707 669 HE1 HIS 85 HE1 HIS 85 -8.208 -16.842 8.664 670 HE2 HIS 85 HE2 HIS 85 -6.769 -15.869 6.815 671 H GLU 86 HN GLU 86 -3.126 -12.584 8.088 672 HA GLU 86 HA GLU 86 -2.404 -15.317 7.945 673 1HB GLU 86 HB2 GLU 86 -0.729 -12.906 7.177 674 2HB GLU 86 HB1 GLU 86 -0.456 -14.562 6.636 675 1HG GLU 86 HG2 GLU 86 -3.006 -13.002 6.144 676 2HG GLU 86 HG1 GLU 86 -1.708 -13.188 4.964 677 H PHE 87 HN PHE 87 -0.959 -16.561 9.071 678 HA PHE 87 HA PHE 87 0.510 -15.260 11.320 679 1HB PHE 87 HB2 PHE 87 0.333 -18.244 11.001 680 2HB PHE 87 HB1 PHE 87 0.329 -17.271 12.472 681 HD1 PHE 87 HD2 PHE 87 -1.732 -15.746 12.881 682 HD2 PHE 87 HD1 PHE 87 -1.691 -19.005 10.082 683 HE1 PHE 87 HE2 PHE 87 -4.212 -15.797 12.902 684 HE2 PHE 87 HE1 PHE 87 -4.169 -19.055 10.104 685 HZ PHE 87 HZ PHE 87 -5.430 -17.452 11.514 686 H PHE 88 HN PHE 88 2.529 -14.662 10.669 687 HA PHE 88 HA PHE 88 4.124 -16.574 8.986 688 1HB PHE 88 HB2 PHE 88 4.130 -13.571 9.281 689 2HB PHE 88 HB1 PHE 88 5.611 -14.392 8.789 690 HD1 PHE 88 HD2 PHE 88 5.705 -15.681 6.692 691 HD2 PHE 88 HD1 PHE 88 2.200 -13.462 7.807 692 HE1 PHE 88 HE2 PHE 88 4.854 -15.863 4.371 693 HE2 PHE 88 HE1 PHE 88 1.351 -13.643 5.483 694 HZ PHE 88 HZ PHE 88 2.674 -14.844 3.767 695 H GLU 89 HN GLU 89 5.450 -13.963 10.936 696 HA GLU 89 HA GLU 89 7.006 -15.992 12.465 697 1HB GLU 89 HB2 GLU 89 7.288 -12.973 12.292 698 2HB GLU 89 HB1 GLU 89 8.382 -14.053 13.154 699 1HG GLU 89 HG2 GLU 89 7.816 -14.152 10.175 700 2HG GLU 89 HG1 GLU 89 9.264 -13.468 10.913 701 H HIS 90 HN HIS 90 5.777 -16.688 14.164 702 HA HIS 90 HA HIS 90 3.923 -15.009 15.611 703 1HB HIS 90 HB2 HIS 90 4.050 -16.960 17.278 704 2HB HIS 90 HB1 HIS 90 3.513 -17.356 15.644 705 HD1 HIS 90 HD1 HIS 90 5.307 -18.472 14.041 706 HD2 HIS 90 HD2 HIS 90 6.492 -18.148 18.026 707 HE1 HIS 90 HE1 HIS 90 7.333 -19.969 14.311 708 HE2 HIS 90 HE2 HIS 90 8.064 -19.777 16.731 709 H GLU 91 HN GLU 91 7.323 -15.533 15.780 710 HA GLU 91 HA GLU 91 7.498 -14.347 18.514 711 1HB GLU 91 HB2 GLU 91 9.897 -14.993 18.360 712 2HB GLU 91 HB1 GLU 91 8.818 -16.373 18.147 713 1HG GLU 91 HG2 GLU 91 9.019 -16.072 15.665 714 2HG GLU 91 HG1 GLU 91 10.222 -14.816 15.958 715 1H MET 0 HT1 MET 0 -1.310 -16.415 -11.022 716 2H MET 0 HT3 MET 0 -0.523 -17.874 -11.381 717 3H MET 0 HT2 MET 0 -0.565 -17.305 -9.781 718 HA MET 0 HA MET 0 1.502 -16.602 -10.288 719 1HB MET 0 HB2 MET 0 2.285 -16.190 -12.532 720 2HB MET 0 HB1 MET 0 1.310 -17.655 -12.575 721 1HG MET 0 HG2 MET 0 0.230 -16.631 -14.319 722 2HG MET 0 HG1 MET 0 -0.606 -15.719 -13.064 723 1HE MET 0 HE3 MET 0 -0.747 -14.694 -15.608 724 2HE MET 0 HE2 MET 0 0.321 -13.399 -16.141 725 3HE MET 0 HE1 MET 0 0.788 -15.078 -16.399 726 H SER 1 HN SER 1 -0.947 -15.066 -9.543 727 HA SER 1 HA SER 1 -0.756 -12.468 -10.822 728 1HB SER 1 HB2 SER 1 -2.817 -13.210 -9.674 729 2HB SER 1 HB1 SER 1 -1.953 -13.231 -8.139 730 HG SER 1 HG SER 1 -1.437 -10.926 -8.812 731 H GLU 2 HN GLU 2 0.851 -11.045 -10.508 732 HA GLU 2 HA GLU 2 2.893 -11.432 -8.509 733 1HB GLU 2 HB2 GLU 2 2.278 -9.104 -10.348 734 2HB GLU 2 HB1 GLU 2 3.711 -9.194 -9.322 735 1HG GLU 2 HG2 GLU 2 4.367 -11.307 -10.419 736 2HG GLU 2 HG1 GLU 2 2.938 -11.215 -11.449 737 H LEU 3 HN LEU 3 -0.009 -9.441 -8.673 738 HA LEU 3 HA LEU 3 0.595 -7.620 -6.589 739 1HB LEU 3 HB2 LEU 3 -1.346 -7.478 -8.163 740 2HB LEU 3 HB1 LEU 3 -2.130 -8.768 -7.262 741 HG LEU 3 HG LEU 3 -1.157 -6.280 -5.841 742 1HD1 LEU 3 HD12 LEU 3 -3.710 -6.614 -7.423 743 2HD1 LEU 3 HD11 LEU 3 -3.542 -5.421 -6.136 744 3HD1 LEU 3 HD13 LEU 3 -2.506 -5.335 -7.560 745 1HD2 LEU 3 HD21 LEU 3 -3.103 -8.507 -5.255 746 2HD2 LEU 3 HD23 LEU 3 -1.883 -7.782 -4.210 747 3HD2 LEU 3 HD22 LEU 3 -3.385 -6.928 -4.531 748 H GLU 4 HN GLU 4 -1.112 -10.790 -6.341 749 HA GLU 4 HA GLU 4 -1.453 -10.621 -3.515 750 1HB GLU 4 HB2 GLU 4 -2.097 -12.884 -3.570 751 2HB GLU 4 HB1 GLU 4 -2.499 -12.303 -5.181 752 1HG GLU 4 HG2 GLU 4 -1.388 -14.304 -5.660 753 2HG GLU 4 HG1 GLU 4 -0.089 -13.127 -5.802 754 H LYS 5 HN LYS 5 1.258 -11.891 -5.447 755 HA LYS 5 HA LYS 5 2.739 -12.904 -3.196 756 1HB LYS 5 HB2 LYS 5 3.227 -13.457 -5.606 757 2HB LYS 5 HB1 LYS 5 3.864 -11.822 -5.798 758 1HG LYS 5 HG2 LYS 5 5.506 -12.262 -3.992 759 2HG LYS 5 HG1 LYS 5 4.886 -13.906 -3.845 760 1HD LYS 5 HD2 LYS 5 5.495 -14.340 -6.206 761 2HD LYS 5 HD1 LYS 5 6.146 -12.705 -6.328 762 1HE LYS 5 HE2 LYS 5 7.759 -13.216 -4.523 763 2HE LYS 5 HE1 LYS 5 7.120 -14.858 -4.427 764 1HZ LYS 5 HZ2 LYS 5 7.633 -14.860 -6.955 765 2HZ LYS 5 HZ1 LYS 5 8.705 -13.603 -6.558 766 3HZ LYS 5 HZ3 LYS 5 8.886 -15.128 -5.840 767 H ALA 6 HN ALA 6 2.657 -9.779 -4.854 768 HA ALA 6 HA ALA 6 4.801 -8.540 -3.452 769 1HB ALA 6 HB2 ALA 6 2.285 -7.328 -4.629 770 2HB ALA 6 HB1 ALA 6 3.703 -6.410 -4.123 771 3HB ALA 6 HB3 ALA 6 3.824 -7.551 -5.461 772 H MET 7 HN MET 7 1.333 -8.769 -2.683 773 HA MET 7 HA MET 7 1.348 -7.030 -0.432 774 1HB MET 7 HB2 MET 7 -0.697 -7.970 -1.538 775 2HB MET 7 HB1 MET 7 -0.329 -9.530 -0.801 776 1HG MET 7 HG2 MET 7 -0.461 -8.508 1.438 777 2HG MET 7 HG1 MET 7 -0.829 -6.947 0.704 778 1HE MET 7 HE1 MET 7 -2.474 -7.253 2.572 779 2HE MET 7 HE3 MET 7 -4.125 -7.825 2.305 780 3HE MET 7 HE2 MET 7 -2.882 -8.943 2.853 781 H VAL 8 HN VAL 8 2.073 -10.483 -0.712 782 HA VAL 8 HA VAL 8 2.360 -11.042 2.061 783 HB VAL 8 HB VAL 8 3.693 -12.263 -0.371 784 1HG1 VAL 8 HG12 VAL 8 3.759 -13.063 2.548 785 2HG1 VAL 8 HG11 VAL 8 4.103 -14.199 1.244 786 3HG1 VAL 8 HG13 VAL 8 5.129 -12.784 1.474 787 1HG2 VAL 8 HG22 VAL 8 1.203 -12.464 -0.145 788 2HG2 VAL 8 HG21 VAL 8 2.028 -14.020 -0.059 789 3HG2 VAL 8 HG23 VAL 8 1.444 -13.248 1.415 790 H ALA 9 HN ALA 9 4.673 -9.773 -0.319 791 HA ALA 9 HA ALA 9 7.005 -9.899 1.277 792 1HB ALA 9 HB2 ALA 9 6.845 -9.316 -1.188 793 2HB ALA 9 HB1 ALA 9 6.367 -7.692 -0.691 794 3HB ALA 9 HB3 ALA 9 7.957 -8.317 -0.254 795 H LEU 10 HN LEU 10 4.534 -7.302 1.114 796 HA LEU 10 HA LEU 10 5.939 -5.468 2.786 797 1HB LEU 10 HB2 LEU 10 3.023 -5.887 2.160 798 2HB LEU 10 HB1 LEU 10 3.482 -4.731 3.406 799 HG LEU 10 HG LEU 10 3.209 -3.732 1.103 800 1HD1 LEU 10 HD13 LEU 10 4.913 -2.964 3.024 801 2HD1 LEU 10 HD12 LEU 10 6.107 -3.385 1.798 802 3HD1 LEU 10 HD11 LEU 10 4.877 -2.174 1.450 803 1HD2 LEU 10 HD23 LEU 10 4.193 -5.759 -0.041 804 2HD2 LEU 10 HD22 LEU 10 4.815 -4.216 -0.615 805 3HD2 LEU 10 HD21 LEU 10 5.782 -5.204 0.478 806 H ILE 11 HN ILE 11 3.510 -7.950 3.698 807 HA ILE 11 HA ILE 11 3.653 -7.435 6.492 808 HB ILE 11 HB ILE 11 3.045 -10.029 5.042 809 1HG1 ILE 11 HG12 ILE 11 1.179 -8.009 6.322 810 2HG1 ILE 11 HG11 ILE 11 1.577 -8.004 4.605 811 1HG2 ILE 11 HG23 ILE 11 2.711 -9.190 7.937 812 2HG2 ILE 11 HG22 ILE 11 1.871 -10.569 7.227 813 3HG2 ILE 11 HG21 ILE 11 3.631 -10.564 7.321 814 1HD1 ILE 11 HD12 ILE 11 0.550 -10.520 5.916 815 2HD1 ILE 11 HD11 ILE 11 -0.570 -9.267 5.383 816 3HD1 ILE 11 HD13 ILE 11 0.493 -10.051 4.216 817 H ASP 12 HN ASP 12 5.472 -9.788 4.511 818 HA ASP 12 HA ASP 12 7.014 -10.855 6.655 819 1HB ASP 12 HB2 ASP 12 6.887 -11.905 4.420 820 2HB ASP 12 HB1 ASP 12 7.799 -10.555 3.741 821 H VAL 13 HN VAL 13 7.795 -8.198 4.376 822 HA VAL 13 HA VAL 13 10.339 -7.622 5.581 823 HB VAL 13 HB VAL 13 8.480 -5.949 3.870 824 1HG1 VAL 13 HG11 VAL 13 11.235 -5.334 4.960 825 2HG1 VAL 13 HG13 VAL 13 10.585 -4.539 3.528 826 3HG1 VAL 13 HG12 VAL 13 9.777 -4.350 5.084 827 1HG2 VAL 13 HG23 VAL 13 11.029 -7.506 3.346 828 2HG2 VAL 13 HG22 VAL 13 9.428 -7.826 2.681 829 3HG2 VAL 13 HG21 VAL 13 10.316 -6.386 2.186 830 H PHE 14 HN PHE 14 7.095 -6.199 6.069 831 HA PHE 14 HA PHE 14 7.906 -4.171 7.888 832 1HB PHE 14 HB2 PHE 14 5.637 -4.274 6.899 833 2HB PHE 14 HB1 PHE 14 5.292 -5.710 7.865 834 HD1 PHE 14 HD1 PHE 14 5.863 -2.075 7.945 835 HD2 PHE 14 HD2 PHE 14 4.990 -5.566 10.290 836 HE1 PHE 14 HE1 PHE 14 5.237 -0.631 9.860 837 HE2 PHE 14 HE2 PHE 14 4.364 -4.121 12.206 838 HZ PHE 14 HZ PHE 14 4.489 -1.653 11.991 839 H HIS 15 HN HIS 15 6.857 -7.527 8.522 840 HA HIS 15 HA HIS 15 7.004 -7.378 11.355 841 1HB HIS 15 HB2 HIS 15 6.039 -9.258 9.870 842 2HB HIS 15 HB1 HIS 15 7.690 -9.871 9.793 843 HD1 HIS 15 HD1 HIS 15 8.589 -9.268 12.694 844 HD2 HIS 15 HD2 HIS 15 4.935 -11.028 11.721 845 HE1 HIS 15 HE1 HIS 15 7.823 -10.522 14.760 846 HE2 HIS 15 HE2 HIS 15 5.599 -11.594 14.180 847 H GLN 16 HN GLN 16 9.532 -8.183 8.969 848 HA GLN 16 HA GLN 16 11.493 -8.968 10.888 849 1HB GLN 16 HB2 GLN 16 11.760 -7.808 8.108 850 2HB GLN 16 HB1 GLN 16 13.138 -8.370 9.053 851 1HG GLN 16 HG2 GLN 16 12.116 -10.607 9.227 852 2HG GLN 16 HG1 GLN 16 10.731 -10.050 8.289 853 1HE2 GLN 16 HE22 GLN 16 14.185 -11.038 6.382 854 2HE2 GLN 16 HE21 GLN 16 14.073 -11.101 8.075 855 H TYR 17 HN TYR 17 11.261 -5.824 9.162 856 HA TYR 17 HA TYR 17 13.222 -4.567 10.830 857 1HB TYR 17 HB2 TYR 17 11.071 -3.524 8.988 858 2HB TYR 17 HB1 TYR 17 12.054 -2.413 9.946 859 HD1 TYR 17 HD2 TYR 17 12.085 -4.911 7.233 860 HD2 TYR 17 HD1 TYR 17 14.444 -2.173 9.554 861 HE1 TYR 17 HE2 TYR 17 13.953 -5.149 5.617 862 HE2 TYR 17 HE1 TYR 17 16.313 -2.415 7.944 863 HH TYR 17 HH TYR 17 15.994 -4.485 5.056 864 H SER 18 HN SER 18 9.683 -4.717 11.069 865 HA SER 18 HA SER 18 9.499 -2.905 13.287 866 1HB SER 18 HB2 SER 18 7.256 -3.705 13.533 867 2HB SER 18 HB1 SER 18 7.592 -3.712 11.811 868 HG SER 18 HG SER 18 8.281 -6.013 13.176 869 H GLY 19 HN GLY 19 10.127 -6.372 13.037 870 1HA GLY 19 HA2 GLY 19 9.954 -6.786 15.930 871 2HA GLY 19 HA1 GLY 19 10.495 -7.973 14.744 872 H ARG 20 HN ARG 20 12.384 -5.611 13.786 873 HA ARG 20 HA ARG 20 14.729 -6.592 15.062 874 1HB ARG 20 HB2 ARG 20 14.142 -4.097 13.479 875 2HB ARG 20 HB1 ARG 20 15.724 -4.319 14.216 876 1HG ARG 20 HG2 ARG 20 14.534 -6.513 12.526 877 2HG ARG 20 HG1 ARG 20 15.332 -5.146 11.756 878 1HD ARG 20 HD2 ARG 20 17.356 -5.606 13.163 879 2HD ARG 20 HD1 ARG 20 16.557 -7.042 13.788 880 HE ARG 20 HE ARG 20 16.449 -7.324 11.019 881 1HH1 ARG 20 HH21 ARG 20 18.839 -6.801 13.443 882 2HH1 ARG 20 HH22 ARG 20 20.092 -7.627 12.577 883 1HH2 ARG 20 HH11 ARG 20 18.067 -8.409 9.871 884 2HH2 ARG 20 HH12 ARG 20 19.655 -8.538 10.553 885 H GLU 21 HN GLU 21 12.715 -3.763 15.848 886 HA GLU 21 HA GLU 21 13.839 -3.804 18.571 887 1HB GLU 21 HB2 GLU 21 14.445 -1.385 18.471 888 2HB GLU 21 HB1 GLU 21 15.443 -2.387 17.418 889 1HG GLU 21 HG2 GLU 21 14.075 -1.771 15.484 890 2HG GLU 21 HG1 GLU 21 13.011 -0.815 16.517 891 H GLY 22 HN GLY 22 12.719 -2.115 19.951 892 1HA GLY 22 HA2 GLY 22 10.794 -0.682 20.351 893 2HA GLY 22 HA1 GLY 22 10.004 -1.383 18.937 894 H ASP 23 HN ASP 23 8.424 -1.423 21.080 895 HA ASP 23 HA ASP 23 8.770 -3.533 22.956 896 1HB ASP 23 HB2 ASP 23 7.041 -1.737 23.122 897 2HB ASP 23 HB1 ASP 23 6.163 -2.500 21.796 898 H LYS 24 HN LYS 24 6.812 -3.540 19.941 899 HA LYS 24 HA LYS 24 7.664 -6.302 19.411 900 1HB LYS 24 HB2 LYS 24 4.803 -5.616 20.109 901 2HB LYS 24 HB1 LYS 24 5.214 -7.027 19.136 902 1HG LYS 24 HG2 LYS 24 6.761 -7.756 21.000 903 2HG LYS 24 HG1 LYS 24 6.109 -6.439 21.970 904 1HD LYS 24 HD2 LYS 24 4.743 -8.213 22.637 905 2HD LYS 24 HD1 LYS 24 3.774 -7.487 21.358 906 1HE LYS 24 HE2 LYS 24 4.545 -9.154 19.759 907 2HE LYS 24 HE1 LYS 24 5.677 -9.815 20.937 908 1HZ LYS 24 HZ2 LYS 24 2.743 -9.718 21.353 909 2HZ LYS 24 HZ1 LYS 24 3.558 -11.067 20.718 910 3HZ LYS 24 HZ3 LYS 24 3.892 -10.541 22.295 911 H HIS 25 HN HIS 25 5.597 -3.542 18.440 912 HA HIS 25 HA HIS 25 6.534 -3.905 15.695 913 1HB HIS 25 HB2 HIS 25 4.149 -4.052 14.827 914 2HB HIS 25 HB1 HIS 25 4.775 -5.501 15.614 915 HD1 HIS 25 HD1 HIS 25 2.195 -6.075 16.109 916 HD2 HIS 25 HD2 HIS 25 3.716 -2.750 18.117 917 HE1 HIS 25 HE1 HIS 25 0.566 -5.558 17.980 918 HE2 HIS 25 HE2 HIS 25 1.486 -3.541 19.212 919 H LYS 26 HN LYS 26 7.270 -1.689 16.425 920 HA LYS 26 HA LYS 26 5.268 0.298 15.512 921 1HB LYS 26 HB2 LYS 26 5.612 1.811 17.355 922 2HB LYS 26 HB1 LYS 26 5.158 0.251 18.033 923 1HG LYS 26 HG2 LYS 26 7.604 -0.240 18.361 924 2HG LYS 26 HG1 LYS 26 7.950 1.418 17.861 925 1HD LYS 26 HD2 LYS 26 6.364 2.194 19.675 926 2HD LYS 26 HD1 LYS 26 6.317 0.528 20.251 927 1HE LYS 26 HE2 LYS 26 8.768 0.565 20.552 928 2HE LYS 26 HE1 LYS 26 8.810 2.233 19.983 929 1HZ LYS 26 HZ2 LYS 26 7.322 1.262 22.363 930 2HZ LYS 26 HZ1 LYS 26 8.790 2.117 22.399 931 3HZ LYS 26 HZ3 LYS 26 7.384 2.869 21.817 932 H LEU 27 HN LEU 27 6.340 2.335 14.834 933 HA LEU 27 HA LEU 27 9.165 1.806 13.973 934 1HB LEU 27 HB2 LEU 27 7.095 3.695 12.818 935 2HB LEU 27 HB1 LEU 27 8.709 3.410 12.168 936 HG LEU 27 HG LEU 27 6.539 1.310 12.460 937 1HD1 LEU 27 HD11 LEU 27 7.641 2.744 10.025 938 2HD1 LEU 27 HD13 LEU 27 6.519 1.384 9.974 939 3HD1 LEU 27 HD12 LEU 27 6.016 2.915 10.692 940 1HD2 LEU 27 HD21 LEU 27 9.418 1.225 11.566 941 2HD2 LEU 27 HD23 LEU 27 8.533 0.084 12.580 942 3HD2 LEU 27 HD22 LEU 27 8.254 0.115 10.843 943 H LYS 28 HN LYS 28 10.736 3.028 14.784 944 HA LYS 28 HA LYS 28 10.025 5.513 16.298 945 1HB LYS 28 HB2 LYS 28 11.274 3.561 17.418 946 2HB LYS 28 HB1 LYS 28 12.647 4.003 16.404 947 1HG LYS 28 HG2 LYS 28 12.645 6.268 17.343 948 2HG LYS 28 HG1 LYS 28 11.225 5.879 18.316 949 1HD LYS 28 HD2 LYS 28 12.505 4.111 19.474 950 2HD LYS 28 HD1 LYS 28 13.929 4.515 18.513 951 1HE LYS 28 HE2 LYS 28 13.986 5.586 20.755 952 2HE LYS 28 HE1 LYS 28 13.954 6.778 19.455 953 1HZ LYS 28 HZ2 LYS 28 11.557 5.833 20.931 954 2HZ LYS 28 HZ1 LYS 28 12.389 7.275 21.271 955 3HZ LYS 28 HZ3 LYS 28 11.613 7.077 19.776 956 H LYS 29 HN LYS 29 11.725 7.303 16.053 957 HA LYS 29 HA LYS 29 12.004 8.003 13.316 958 1HB LYS 29 HB2 LYS 29 12.053 9.658 15.142 959 2HB LYS 29 HB1 LYS 29 13.605 9.014 15.681 960 1HG LYS 29 HG2 LYS 29 14.680 9.675 13.622 961 2HG LYS 29 HG1 LYS 29 13.134 10.093 12.891 962 1HD LYS 29 HD2 LYS 29 14.069 12.176 13.549 963 2HD LYS 29 HD1 LYS 29 12.867 11.811 14.782 964 1HE LYS 29 HE2 LYS 29 15.774 11.041 15.122 965 2HE LYS 29 HE1 LYS 29 15.169 12.624 15.598 966 1HZ LYS 29 HZ3 LYS 29 13.350 11.073 16.729 967 2HZ LYS 29 HZ2 LYS 29 14.681 10.018 16.786 968 3HZ LYS 29 HZ1 LYS 29 14.775 11.549 17.516 969 H SER 30 HN SER 30 14.422 6.597 15.554 970 HA SER 30 HA SER 30 16.623 6.681 13.747 971 1HB SER 30 HB2 SER 30 17.617 4.947 15.165 972 2HB SER 30 HB1 SER 30 16.821 6.156 16.168 973 HG SER 30 HG SER 30 16.370 3.545 16.054 974 H GLU 31 HN GLU 31 14.095 4.245 14.218 975 HA GLU 31 HA GLU 31 15.134 2.256 12.474 976 1HB GLU 31 HB2 GLU 31 13.199 1.976 14.062 977 2HB GLU 31 HB1 GLU 31 12.206 2.885 12.922 978 1HG GLU 31 HG2 GLU 31 12.589 1.233 11.185 979 2HG GLU 31 HG1 GLU 31 13.733 0.365 12.209 980 H LEU 32 HN LEU 32 13.151 5.120 11.813 981 HA LEU 32 HA LEU 32 12.469 4.528 9.130 982 1HB LEU 32 HB2 LEU 32 13.015 7.208 10.421 983 2HB LEU 32 HB1 LEU 32 12.233 6.994 8.857 984 HG LEU 32 HG LEU 32 11.204 5.845 11.470 985 1HD1 LEU 32 HD13 LEU 32 11.167 8.413 11.165 986 2HD1 LEU 32 HD12 LEU 32 9.975 8.114 9.900 987 3HD1 LEU 32 HD11 LEU 32 9.640 7.623 11.560 988 1HD2 LEU 32 HD21 LEU 32 10.270 5.743 8.607 989 2HD2 LEU 32 HD23 LEU 32 10.278 4.467 9.824 990 3HD2 LEU 32 HD22 LEU 32 9.069 5.743 9.898 991 H LYS 33 HN LYS 33 15.425 6.111 10.399 992 HA LYS 33 HA LYS 33 16.457 6.863 7.857 993 1HB LYS 33 HB2 LYS 33 17.441 7.629 9.994 994 2HB LYS 33 HB1 LYS 33 18.026 5.993 10.300 995 1HG LYS 33 HG2 LYS 33 19.522 6.061 8.450 996 2HG LYS 33 HG1 LYS 33 18.735 7.481 7.767 997 1HD LYS 33 HD2 LYS 33 20.783 8.232 8.789 998 2HD LYS 33 HD1 LYS 33 19.459 8.769 9.820 999 1HE LYS 33 HE2 LYS 33 20.880 6.152 10.328 1000 2HE LYS 33 HE1 LYS 33 21.490 7.675 10.975 1001 1HZ LYS 33 HZ3 LYS 33 18.924 7.849 11.639 1002 2HZ LYS 33 HZ2 LYS 33 19.127 6.164 11.712 1003 3HZ LYS 33 HZ1 LYS 33 20.107 7.182 12.655 1004 H GLU 34 HN GLU 34 17.055 3.837 9.711 1005 HA GLU 34 HA GLU 34 18.631 2.665 7.589 1006 1HB GLU 34 HB2 GLU 34 17.230 1.522 10.009 1007 2HB GLU 34 HB1 GLU 34 18.092 0.495 8.864 1008 1HG GLU 34 HG2 GLU 34 19.582 1.101 10.704 1009 2HG GLU 34 HG1 GLU 34 20.138 1.864 9.215 1010 H LEU 35 HN LEU 35 15.202 2.452 8.484 1011 HA LEU 35 HA LEU 35 14.471 0.422 6.620 1012 1HB LEU 35 HB2 LEU 35 13.023 1.170 8.466 1013 2HB LEU 35 HB1 LEU 35 12.831 2.735 7.690 1014 HG LEU 35 HG LEU 35 12.158 0.376 5.977 1015 1HD1 LEU 35 HD13 LEU 35 11.228 -0.300 8.181 1016 2HD1 LEU 35 HD12 LEU 35 10.339 1.222 8.250 1017 3HD1 LEU 35 HD11 LEU 35 9.965 0.039 6.998 1018 1HD2 LEU 35 HD23 LEU 35 10.821 3.045 6.562 1019 2HD2 LEU 35 HD22 LEU 35 11.768 2.638 5.133 1020 3HD2 LEU 35 HD21 LEU 35 10.214 1.861 5.407 1021 H ILE 36 HN ILE 36 14.625 3.956 6.286 1022 HA ILE 36 HA ILE 36 13.518 4.006 3.631 1023 HB ILE 36 HB ILE 36 15.244 5.977 5.147 1024 1HG1 ILE 36 HG12 ILE 36 12.306 6.124 4.428 1025 2HG1 ILE 36 HG11 ILE 36 12.868 5.388 5.927 1026 1HG2 ILE 36 HG21 ILE 36 13.882 6.179 2.454 1027 2HG2 ILE 36 HG23 ILE 36 14.333 7.597 3.396 1028 3HG2 ILE 36 HG22 ILE 36 15.577 6.483 2.830 1029 1HD1 ILE 36 HD11 ILE 36 14.090 7.539 6.433 1030 2HD1 ILE 36 HD13 ILE 36 13.296 8.249 5.027 1031 3HD1 ILE 36 HD12 ILE 36 12.334 7.699 6.398 1032 H ASN 37 HN ASN 37 16.868 3.871 4.837 1033 HA ASN 37 HA ASN 37 18.173 4.284 2.359 1034 1HB ASN 37 HB2 ASN 37 18.992 2.713 4.804 1035 2HB ASN 37 HB1 ASN 37 20.066 2.967 3.428 1036 1HD2 ASN 37 HD22 ASN 37 20.953 5.809 5.490 1037 2HD2 ASN 37 HD21 ASN 37 21.318 4.165 5.276 1038 H ASN 38 HN ASN 38 16.979 1.192 3.747 1039 HA ASN 38 HA ASN 38 18.199 -0.374 1.654 1040 1HB ASN 38 HB2 ASN 38 16.581 -2.172 2.442 1041 2HB ASN 38 HB1 ASN 38 17.677 -1.527 3.663 1042 1HD2 ASN 38 HD22 ASN 38 13.741 -1.258 4.293 1043 2HD2 ASN 38 HD21 ASN 38 14.432 -2.251 3.103 1044 H GLU 39 HN GLU 39 14.895 0.973 1.983 1045 HA GLU 39 HA GLU 39 14.183 -0.238 -0.631 1046 1HB GLU 39 HB2 GLU 39 11.971 1.194 0.012 1047 2HB GLU 39 HB1 GLU 39 12.278 -0.422 0.638 1048 1HG GLU 39 HG2 GLU 39 13.052 0.383 2.707 1049 2HG GLU 39 HG1 GLU 39 13.302 2.016 2.088 1050 H LEU 40 HN LEU 40 13.348 3.057 0.477 1051 HA LEU 40 HA LEU 40 13.651 4.062 -2.223 1052 1HB LEU 40 HB2 LEU 40 13.060 5.312 0.451 1053 2HB LEU 40 HB1 LEU 40 13.406 6.342 -0.938 1054 HG LEU 40 HG LEU 40 11.600 5.203 -2.206 1055 1HD1 LEU 40 HD12 LEU 40 11.385 3.658 0.377 1056 2HD1 LEU 40 HD11 LEU 40 9.983 3.847 -0.677 1057 3HD1 LEU 40 HD13 LEU 40 11.435 3.050 -1.279 1058 1HD2 LEU 40 HD21 LEU 40 10.826 6.360 0.490 1059 2HD2 LEU 40 HD23 LEU 40 11.061 7.256 -1.010 1060 3HD2 LEU 40 HD22 LEU 40 9.706 6.139 -0.854 1061 H SER 41 HN SER 41 15.313 5.181 -3.146 1062 HA SER 41 HA SER 41 17.608 6.071 -1.499 1063 1HB SER 41 HB2 SER 41 19.235 4.787 -2.658 1064 2HB SER 41 HB1 SER 41 17.953 3.640 -2.279 1065 HG SER 41 HG SER 41 18.836 4.580 -4.696 1066 H HIS 42 HN HIS 42 16.526 5.626 -4.900 1067 HA HIS 42 HA HIS 42 17.802 8.200 -5.628 1068 1HB HIS 42 HB2 HIS 42 16.506 5.961 -7.185 1069 2HB HIS 42 HB1 HIS 42 16.812 7.519 -7.950 1070 HD1 HIS 42 HD1 HIS 42 18.522 4.453 -6.698 1071 HD2 HIS 42 HD2 HIS 42 19.607 8.184 -8.217 1072 HE1 HIS 42 HE1 HIS 42 20.989 4.308 -7.268 1073 HE2 HIS 42 HE2 HIS 42 21.656 6.573 -8.196 1074 H PHE 43 HN PHE 43 14.710 7.122 -4.590 1075 HA PHE 43 HA PHE 43 13.029 8.840 -6.126 1076 1HB PHE 43 HB2 PHE 43 12.773 7.704 -3.336 1077 2HB PHE 43 HB1 PHE 43 11.537 8.760 -4.017 1078 HD1 PHE 43 HD1 PHE 43 10.246 8.073 -6.013 1079 HD2 PHE 43 HD2 PHE 43 13.116 5.454 -4.178 1080 HE1 PHE 43 HE1 PHE 43 9.295 6.154 -7.264 1081 HE2 PHE 43 HE2 PHE 43 12.164 3.536 -5.428 1082 HZ PHE 43 HZ PHE 43 10.254 3.885 -6.971 1083 H LEU 44 HN LEU 44 14.896 9.434 -3.162 1084 HA LEU 44 HA LEU 44 14.266 12.355 -3.426 1085 1HB LEU 44 HB2 LEU 44 15.353 12.366 -1.024 1086 2HB LEU 44 HB1 LEU 44 13.675 11.885 -1.220 1087 HG LEU 44 HG LEU 44 14.999 10.391 0.286 1088 1HD1 LEU 44 HD12 LEU 44 13.103 9.669 -1.656 1089 2HD1 LEU 44 HD11 LEU 44 14.361 8.441 -1.794 1090 3HD1 LEU 44 HD13 LEU 44 13.580 8.734 -0.243 1091 1HD2 LEU 44 HD21 LEU 44 17.095 10.617 -1.198 1092 2HD2 LEU 44 HD23 LEU 44 16.756 9.032 -0.508 1093 3HD2 LEU 44 HD22 LEU 44 16.371 9.355 -2.195 1094 H GLU 45 HN GLU 45 16.225 13.793 -2.967 1095 HA GLU 45 HA GLU 45 18.327 13.141 -4.728 1096 1HB GLU 45 HB2 GLU 45 18.317 15.007 -2.337 1097 2HB GLU 45 HB1 GLU 45 19.634 14.927 -3.506 1098 1HG GLU 45 HG2 GLU 45 18.245 16.703 -4.265 1099 2HG GLU 45 HG1 GLU 45 17.853 15.339 -5.311 1100 H GLU 46 HN GLU 46 18.607 13.172 -1.148 1101 HA GLU 46 HA GLU 46 19.780 10.585 -0.940 1102 1HB GLU 46 HB2 GLU 46 21.672 11.645 -2.197 1103 2HB GLU 46 HB1 GLU 46 21.819 12.839 -0.913 1104 1HG GLU 46 HG2 GLU 46 22.403 11.149 0.695 1105 2HG GLU 46 HG1 GLU 46 22.005 9.857 -0.439 1106 H ILE 47 HN ILE 47 20.014 10.054 1.269 1107 HA ILE 47 HA ILE 47 19.019 12.084 3.166 1108 HB ILE 47 HB ILE 47 19.913 9.224 3.656 1109 1HG1 ILE 47 HG12 ILE 47 17.998 9.220 2.159 1110 2HG1 ILE 47 HG11 ILE 47 17.452 8.755 3.768 1111 1HG2 ILE 47 HG23 ILE 47 18.485 11.276 5.356 1112 2HG2 ILE 47 HG22 ILE 47 18.450 9.552 5.723 1113 3HG2 ILE 47 HG21 ILE 47 19.985 10.421 5.717 1114 1HD1 ILE 47 HD12 ILE 47 16.968 11.338 4.038 1115 2HD1 ILE 47 HD11 ILE 47 16.975 11.316 2.275 1116 3HD1 ILE 47 HD13 ILE 47 15.829 10.316 3.165 1117 H LYS 48 HN LYS 48 20.427 13.432 4.192 1118 HA LYS 48 HA LYS 48 22.916 12.383 5.302 1119 1HB LYS 48 HB2 LYS 48 23.425 12.893 2.854 1120 2HB LYS 48 HB1 LYS 48 23.164 14.591 3.252 1121 1HG LYS 48 HG2 LYS 48 24.905 14.456 4.995 1122 2HG LYS 48 HG1 LYS 48 25.171 12.758 4.597 1123 1HD LYS 48 HD2 LYS 48 25.723 13.462 2.248 1124 2HD LYS 48 HD1 LYS 48 25.629 15.141 2.782 1125 1HE LYS 48 HE2 LYS 48 27.640 13.031 3.517 1126 2HE LYS 48 HE1 LYS 48 27.914 14.703 3.027 1127 1HZ LYS 48 HZ1 LYS 48 26.637 13.895 5.582 1128 2HZ LYS 48 HZ3 LYS 48 28.276 14.300 5.420 1129 3HZ LYS 48 HZ2 LYS 48 27.081 15.468 5.117 1130 H GLU 49 HN GLU 49 20.611 14.953 4.838 1131 HA GLU 49 HA GLU 49 21.888 16.579 6.997 1132 1HB GLU 49 HB2 GLU 49 19.664 17.188 5.027 1133 2HB GLU 49 HB1 GLU 49 20.154 18.281 6.322 1134 1HG GLU 49 HG2 GLU 49 21.366 19.020 4.415 1135 2HG GLU 49 HG1 GLU 49 22.533 18.094 5.359 1136 H GLN 50 HN GLN 50 20.868 16.862 8.953 1137 HA GLN 50 HA GLN 50 18.898 14.927 9.769 1138 1HB GLN 50 HB2 GLN 50 19.917 17.456 11.101 1139 2HB GLN 50 HB1 GLN 50 18.849 16.291 11.885 1140 1HG GLN 50 HG2 GLN 50 21.517 15.531 10.674 1141 2HG GLN 50 HG1 GLN 50 21.318 15.965 12.372 1142 1HE2 GLN 50 HE22 GLN 50 19.086 13.030 12.868 1143 2HE2 GLN 50 HE21 GLN 50 18.959 14.708 13.092 1144 H GLU 51 HN GLU 51 18.733 18.295 8.739 1145 HA GLU 51 HA GLU 51 16.089 18.889 9.590 1146 1HB GLU 51 HB2 GLU 51 17.658 19.866 7.185 1147 2HB GLU 51 HB1 GLU 51 16.104 20.536 7.671 1148 1HG GLU 51 HG2 GLU 51 17.672 21.971 8.697 1149 2HG GLU 51 HG1 GLU 51 17.194 20.882 9.996 1150 H VAL 52 HN VAL 52 17.242 17.316 6.611 1151 HA VAL 52 HA VAL 52 14.751 17.255 5.246 1152 HB VAL 52 HB VAL 52 17.073 15.306 5.192 1153 1HG1 VAL 52 HG13 VAL 52 14.580 15.510 3.497 1154 2HG1 VAL 52 HG12 VAL 52 16.058 14.766 2.885 1155 3HG1 VAL 52 HG11 VAL 52 15.248 14.086 4.296 1156 1HG2 VAL 52 HG23 VAL 52 17.425 17.740 4.510 1157 2HG2 VAL 52 HG22 VAL 52 17.814 16.541 3.278 1158 3HG2 VAL 52 HG21 VAL 52 16.300 17.439 3.186 1159 H VAL 53 HN VAL 53 16.136 14.992 7.622 1160 HA VAL 53 HA VAL 53 13.962 13.097 7.436 1161 HB VAL 53 HB VAL 53 16.048 13.623 9.571 1162 1HG1 VAL 53 HG12 VAL 53 13.888 11.507 9.406 1163 2HG1 VAL 53 HG11 VAL 53 15.343 11.306 10.382 1164 3HG1 VAL 53 HG13 VAL 53 14.214 12.614 10.740 1165 1HG2 VAL 53 HG23 VAL 53 15.695 11.499 7.436 1166 2HG2 VAL 53 HG22 VAL 53 16.946 12.742 7.491 1167 3HG2 VAL 53 HG21 VAL 53 16.936 11.447 8.689 1168 H ASP 54 HN ASP 54 14.649 15.846 9.589 1169 HA ASP 54 HA ASP 54 12.454 15.482 11.360 1170 1HB ASP 54 HB2 ASP 54 14.302 17.075 11.775 1171 2HB ASP 54 HB1 ASP 54 13.730 18.076 10.442 1172 H LYS 55 HN LYS 55 12.687 17.305 8.311 1173 HA LYS 55 HA LYS 55 10.056 18.376 8.321 1174 1HB LYS 55 HB2 LYS 55 11.820 19.102 6.756 1175 2HB LYS 55 HB1 LYS 55 11.759 17.532 5.957 1176 1HG LYS 55 HG2 LYS 55 9.401 17.934 5.337 1177 2HG LYS 55 HG1 LYS 55 9.460 19.505 6.139 1178 1HD LYS 55 HD2 LYS 55 11.268 20.209 4.605 1179 2HD LYS 55 HD1 LYS 55 11.181 18.643 3.797 1180 1HE LYS 55 HE2 LYS 55 9.886 20.279 2.528 1181 2HE LYS 55 HE1 LYS 55 8.794 19.095 3.248 1182 1HZ LYS 55 HZ2 LYS 55 9.285 21.256 5.026 1183 2HZ LYS 55 HZ1 LYS 55 8.687 21.825 3.541 1184 3HZ LYS 55 HZ3 LYS 55 7.806 20.674 4.423 1185 H VAL 56 HN VAL 56 11.266 15.337 6.869 1186 HA VAL 56 HA VAL 56 8.692 14.510 5.891 1187 HB VAL 56 HB VAL 56 11.220 12.973 6.542 1188 1HG1 VAL 56 HG12 VAL 56 8.595 12.047 5.372 1189 2HG1 VAL 56 HG11 VAL 56 10.107 11.208 5.025 1190 3HG1 VAL 56 HG13 VAL 56 9.524 11.325 6.685 1191 1HG2 VAL 56 HG21 VAL 56 11.172 14.681 4.651 1192 2HG2 VAL 56 HG23 VAL 56 11.611 13.040 4.178 1193 3HG2 VAL 56 HG22 VAL 56 9.984 13.644 3.861 1194 H MET 57 HN MET 57 10.469 13.833 8.885 1195 HA MET 57 HA MET 57 8.589 11.950 9.947 1196 1HB MET 57 HB2 MET 57 11.049 12.622 10.673 1197 2HB MET 57 HB1 MET 57 10.215 13.755 11.730 1198 1HG MET 57 HG2 MET 57 9.849 10.745 11.657 1199 2HG MET 57 HG1 MET 57 10.613 11.682 12.939 1200 1HE MET 57 HE3 MET 57 9.151 10.028 14.094 1201 2HE MET 57 HE2 MET 57 7.516 10.384 14.649 1202 3HE MET 57 HE1 MET 57 7.757 9.588 13.097 1203 H GLU 58 HN GLU 58 8.942 15.469 10.416 1204 HA GLU 58 HA GLU 58 6.763 15.717 12.266 1205 1HB GLU 58 HB2 GLU 58 8.662 17.382 11.768 1206 2HB GLU 58 HB1 GLU 58 7.689 17.897 10.393 1207 1HG GLU 58 HG2 GLU 58 6.664 17.825 13.247 1208 2HG GLU 58 HG1 GLU 58 7.328 19.266 12.478 1209 H THR 59 HN THR 59 6.919 16.191 8.727 1210 HA THR 59 HA THR 59 4.186 17.018 8.467 1211 HB THR 59 HB THR 59 5.973 15.645 6.436 1212 HG1 THR 59 HG1 THR 59 5.673 18.191 5.945 1213 1HG2 THR 59 HG23 THR 59 3.366 17.159 6.205 1214 2HG2 THR 59 HG22 THR 59 4.437 16.884 4.830 1215 3HG2 THR 59 HG21 THR 59 3.711 15.514 5.669 1216 H LEU 60 HN LEU 60 5.732 13.824 8.307 1217 HA LEU 60 HA LEU 60 3.391 12.387 7.507 1218 1HB LEU 60 HB2 LEU 60 5.912 11.652 7.655 1219 2HB LEU 60 HB1 LEU 60 5.501 11.182 9.299 1220 HG LEU 60 HG LEU 60 3.960 10.251 6.855 1221 1HD1 LEU 60 HD13 LEU 60 6.267 8.986 8.345 1222 2HD1 LEU 60 HD12 LEU 60 5.183 8.081 7.289 1223 3HD1 LEU 60 HD11 LEU 60 6.180 9.378 6.628 1224 1HD2 LEU 60 HD23 LEU 60 3.954 9.529 9.793 1225 2HD2 LEU 60 HD22 LEU 60 2.591 9.965 8.765 1226 3HD2 LEU 60 HD21 LEU 60 3.371 8.403 8.571 1227 H ASP 61 HN ASP 61 4.770 13.000 10.751 1228 HA ASP 61 HA ASP 61 2.517 11.723 12.087 1229 1HB ASP 61 HB2 ASP 61 4.926 12.012 12.977 1230 2HB ASP 61 HB1 ASP 61 4.453 13.667 13.358 1231 H GLU 62 HN GLU 62 0.623 12.780 11.448 1232 HA GLU 62 HA GLU 62 0.340 15.638 11.313 1233 1HB GLU 62 HB2 GLU 62 -1.676 13.393 11.543 1234 2HB GLU 62 HB1 GLU 62 -2.132 15.083 11.330 1235 1HG GLU 62 HG2 GLU 62 -0.880 15.190 9.230 1236 2HG GLU 62 HG1 GLU 62 -0.327 13.529 9.451 1237 H ASP 63 HN ASP 63 -0.400 13.262 13.864 1238 HA ASP 63 HA ASP 63 -1.331 15.443 15.648 1239 1HB ASP 63 HB2 ASP 63 -1.806 13.536 17.226 1240 2HB ASP 63 HB1 ASP 63 -2.680 13.450 15.697 1241 H GLY 64 HN GLY 64 1.614 14.261 14.800 1242 1HA GLY 64 HA2 GLY 64 3.722 14.392 15.820 1243 2HA GLY 64 HA1 GLY 64 2.979 15.497 16.972 1244 H ASP 65 HN ASP 65 2.310 12.041 16.349 1245 HA ASP 65 HA ASP 65 2.136 11.466 19.175 1246 1HB ASP 65 HB2 ASP 65 2.382 9.678 16.741 1247 2HB ASP 65 HB1 ASP 65 2.176 9.056 18.378 1248 H GLY 66 HN GLY 66 4.759 11.679 16.943 1249 1HA GLY 66 HA2 GLY 66 7.074 11.657 17.546 1250 2HA GLY 66 HA1 GLY 66 6.645 10.912 19.089 1251 H GLU 67 HN GLU 67 4.858 9.168 17.123 1252 HA GLU 67 HA GLU 67 6.975 7.367 16.080 1253 1HB GLU 67 HB2 GLU 67 5.912 5.423 17.183 1254 2HB GLU 67 HB1 GLU 67 6.505 6.586 18.370 1255 1HG GLU 67 HG2 GLU 67 4.203 7.572 18.478 1256 2HG GLU 67 HG1 GLU 67 3.643 6.274 17.422 1257 H CYS 68 HN CYS 68 6.147 5.886 14.474 1258 HA CYS 68 HA CYS 68 3.478 6.691 13.357 1259 1HB CYS 68 HB2 CYS 68 4.825 5.446 11.268 1260 2HB CYS 68 HB1 CYS 68 4.742 7.188 11.514 1261 HG CYS 68 HG CYS 68 7.258 6.669 11.420 1262 H ASP 69 HN ASP 69 1.955 5.140 13.254 1263 HA ASP 69 HA ASP 69 2.657 2.401 14.123 1264 1HB ASP 69 HB2 ASP 69 0.668 3.667 15.046 1265 2HB ASP 69 HB1 ASP 69 -0.080 3.510 13.457 1266 H PHE 70 HN PHE 70 1.077 0.717 12.892 1267 HA PHE 70 HA PHE 70 2.190 0.326 10.304 1268 1HB PHE 70 HB2 PHE 70 1.102 -1.424 11.789 1269 2HB PHE 70 HB1 PHE 70 -0.457 -0.772 11.289 1270 HD1 PHE 70 HD2 PHE 70 -1.036 -0.738 8.806 1271 HD2 PHE 70 HD1 PHE 70 2.309 -2.918 10.395 1272 HE1 PHE 70 HE2 PHE 70 -0.945 -2.109 6.740 1273 HE2 PHE 70 HE1 PHE 70 2.399 -4.286 8.332 1274 HZ PHE 70 HZ PHE 70 0.771 -3.884 6.504 1275 H GLN 71 HN GLN 71 -0.926 1.722 11.319 1276 HA GLN 71 HA GLN 71 -2.056 2.043 8.725 1277 1HB GLN 71 HB2 GLN 71 -3.245 2.389 10.932 1278 2HB GLN 71 HB1 GLN 71 -2.402 3.930 11.074 1279 1HG GLN 71 HG2 GLN 71 -4.541 4.422 10.111 1280 2HG GLN 71 HG1 GLN 71 -3.373 4.534 8.795 1281 1HE2 GLN 71 HE22 GLN 71 -5.365 2.287 6.952 1282 2HE2 GLN 71 HE21 GLN 71 -4.579 3.790 7.006 1283 H GLU 72 HN GLU 72 0.035 4.205 10.637 1284 HA GLU 72 HA GLU 72 0.049 6.292 8.650 1285 1HB GLU 72 HB2 GLU 72 1.897 5.677 10.965 1286 2HB GLU 72 HB1 GLU 72 2.078 7.097 9.940 1287 1HG GLU 72 HG2 GLU 72 -0.260 7.758 10.481 1288 2HG GLU 72 HG1 GLU 72 -0.370 6.381 11.577 1289 H PHE 73 HN PHE 73 1.950 3.373 9.131 1290 HA PHE 73 HA PHE 73 4.149 4.023 7.436 1291 1HB PHE 73 HB2 PHE 73 4.162 2.015 8.844 1292 2HB PHE 73 HB1 PHE 73 2.827 1.333 7.911 1293 HD1 PHE 73 HD1 PHE 73 6.405 2.279 7.820 1294 HD2 PHE 73 HD2 PHE 73 3.162 0.425 5.702 1295 HE1 PHE 73 HE1 PHE 73 8.011 1.356 6.171 1296 HE2 PHE 73 HE2 PHE 73 4.766 -0.496 4.051 1297 HZ PHE 73 HZ PHE 73 7.190 -0.031 4.286 1298 H MET 74 HN MET 74 0.980 2.580 6.694 1299 HA MET 74 HA MET 74 1.415 2.185 3.907 1300 1HB MET 74 HB2 MET 74 -1.136 2.796 5.435 1301 2HB MET 74 HB1 MET 74 -1.094 2.303 3.743 1302 1HG MET 74 HG2 MET 74 0.095 0.687 6.016 1303 2HG MET 74 HG1 MET 74 -1.499 0.396 5.328 1304 1HE MET 74 HE1 MET 74 -2.052 -0.125 3.132 1305 2HE MET 74 HE3 MET 74 -1.001 0.745 2.005 1306 3HE MET 74 HE2 MET 74 -1.073 -1.013 1.969 1307 H ALA 75 HN ALA 75 0.439 5.011 5.778 1308 HA ALA 75 HA ALA 75 -0.345 6.706 3.636 1309 1HB ALA 75 HB1 ALA 75 -0.577 7.135 6.146 1310 2HB ALA 75 HB3 ALA 75 1.113 7.635 6.118 1311 3HB ALA 75 HB2 ALA 75 -0.082 8.519 5.171 1312 H PHE 76 HN PHE 76 2.862 5.988 4.980 1313 HA PHE 76 HA PHE 76 4.359 7.979 3.611 1314 1HB PHE 76 HB2 PHE 76 5.033 6.100 5.382 1315 2HB PHE 76 HB1 PHE 76 5.454 5.183 3.944 1316 HD1 PHE 76 HD2 PHE 76 6.643 7.083 2.106 1317 HD2 PHE 76 HD1 PHE 76 6.971 6.930 6.388 1318 HE1 PHE 76 HE2 PHE 76 8.793 8.293 1.986 1319 HE2 PHE 76 HE1 PHE 76 9.127 8.139 6.261 1320 HZ PHE 76 HZ PHE 76 10.040 8.819 4.061 1321 H VAL 77 HN VAL 77 3.616 4.625 2.636 1322 HA VAL 77 HA VAL 77 4.786 4.837 0.029 1323 HB VAL 77 HB VAL 77 2.575 3.004 0.998 1324 1HG1 VAL 77 HG11 VAL 77 4.362 3.011 -1.436 1325 2HG1 VAL 77 HG13 VAL 77 3.650 1.516 -0.827 1326 3HG1 VAL 77 HG12 VAL 77 2.609 2.835 -1.360 1327 1HG2 VAL 77 HG23 VAL 77 4.652 2.931 2.370 1328 2HG2 VAL 77 HG22 VAL 77 4.384 1.428 1.486 1329 3HG2 VAL 77 HG21 VAL 77 5.581 2.589 0.909 1330 H SER 78 HN SER 78 1.428 5.268 1.173 1331 HA SER 78 HA SER 78 0.245 5.612 -1.388 1332 1HB SER 78 HB2 SER 78 -1.628 6.572 -0.235 1333 2HB SER 78 HB1 SER 78 -0.962 5.328 0.820 1334 HG SER 78 HG SER 78 -1.112 8.039 1.155 1335 H MET 79 HN MET 79 1.578 8.079 0.839 1336 HA MET 79 HA MET 79 0.968 10.340 -0.778 1337 1HB MET 79 HB2 MET 79 1.819 10.394 1.601 1338 2HB MET 79 HB1 MET 79 3.418 10.001 0.975 1339 1HG MET 79 HG2 MET 79 2.789 12.135 -0.629 1340 2HG MET 79 HG1 MET 79 1.918 12.571 0.839 1341 1HE MET 79 HE2 MET 79 3.273 11.461 3.100 1342 2HE MET 79 HE1 MET 79 4.617 12.497 3.573 1343 3HE MET 79 HE3 MET 79 3.058 13.209 3.133 1344 H VAL 80 HN VAL 80 3.961 8.413 -0.617 1345 HA VAL 80 HA VAL 80 5.276 9.842 -2.731 1346 HB VAL 80 HB VAL 80 5.753 7.092 -1.549 1347 1HG1 VAL 80 HG11 VAL 80 7.266 8.644 -3.658 1348 2HG1 VAL 80 HG13 VAL 80 8.041 7.403 -2.675 1349 3HG1 VAL 80 HG12 VAL 80 6.698 6.977 -3.735 1350 1HG2 VAL 80 HG23 VAL 80 7.104 9.791 -1.227 1351 2HG2 VAL 80 HG22 VAL 80 6.166 8.935 -0.005 1352 3HG2 VAL 80 HG21 VAL 80 7.717 8.287 -0.541 1353 H THR 81 HN THR 81 3.313 6.879 -2.679 1354 HA THR 81 HA THR 81 3.792 6.073 -5.356 1355 HB THR 81 HB THR 81 1.233 5.780 -3.754 1356 HG1 THR 81 HG1 THR 81 2.671 4.722 -2.589 1357 1HG2 THR 81 HG23 THR 81 2.319 4.432 -6.229 1358 2HG2 THR 81 HG22 THR 81 1.074 3.691 -5.225 1359 3HG2 THR 81 HG21 THR 81 0.761 5.234 -6.024 1360 H THR 82 HN THR 82 1.392 8.369 -4.052 1361 HA THR 82 HA THR 82 0.114 8.803 -6.606 1362 HB THR 82 HB THR 82 -0.786 10.874 -5.476 1363 HG1 THR 82 HG1 THR 82 0.293 11.538 -3.828 1364 1HG2 THR 82 HG22 THR 82 -0.964 8.202 -4.072 1365 2HG2 THR 82 HG21 THR 82 -2.027 9.562 -3.711 1366 3HG2 THR 82 HG23 THR 82 -2.045 8.830 -5.315 1367 H ALA 83 HN ALA 83 2.765 10.376 -4.868 1368 HA ALA 83 HA ALA 83 3.077 12.466 -6.886 1369 1HB ALA 83 HB2 ALA 83 4.894 11.574 -4.628 1370 2HB ALA 83 HB1 ALA 83 5.134 13.021 -5.606 1371 3HB ALA 83 HB3 ALA 83 3.721 12.890 -4.557 1372 H CYS 84 HN CYS 84 3.965 9.190 -6.687 1373 HA CYS 84 HA CYS 84 6.523 9.132 -7.871 1374 1HB CYS 84 HB2 CYS 84 6.091 6.877 -8.430 1375 2HB CYS 84 HB1 CYS 84 5.075 7.166 -7.021 1376 HG CYS 84 HG CYS 84 3.054 6.797 -8.412 1377 H HIS 85 HN HIS 85 7.247 9.794 -9.815 1378 HA HIS 85 HA HIS 85 5.253 10.431 -11.961 1379 1HB HIS 85 HB2 HIS 85 6.915 11.981 -12.822 1380 2HB HIS 85 HB1 HIS 85 6.696 12.294 -11.101 1381 HD1 HIS 85 HD1 HIS 85 9.345 13.151 -12.319 1382 HD2 HIS 85 HD2 HIS 85 8.740 9.348 -10.716 1383 HE1 HIS 85 HE1 HIS 85 11.640 12.242 -11.740 1384 HE2 HIS 85 HE2 HIS 85 11.281 9.926 -10.768 1385 H GLU 86 HN GLU 86 6.716 7.777 -11.265 1386 HA GLU 86 HA GLU 86 8.646 7.189 -13.251 1387 1HB GLU 86 HB2 GLU 86 6.526 5.346 -12.101 1388 2HB GLU 86 HB1 GLU 86 7.983 4.830 -12.951 1389 1HG GLU 86 HG2 GLU 86 7.982 6.491 -10.417 1390 2HG GLU 86 HG1 GLU 86 8.231 4.746 -10.465 1391 H PHE 87 HN PHE 87 8.503 6.792 -15.423 1392 HA PHE 87 HA PHE 87 5.805 7.015 -16.680 1393 1HB PHE 87 HB2 PHE 87 8.354 7.024 -18.277 1394 2HB PHE 87 HB1 PHE 87 6.858 7.919 -18.547 1395 HD1 PHE 87 HD2 PHE 87 6.236 9.729 -16.772 1396 HD2 PHE 87 HD1 PHE 87 10.175 8.079 -17.241 1397 HE1 PHE 87 HE2 PHE 87 7.199 11.683 -15.584 1398 HE2 PHE 87 HE1 PHE 87 11.135 10.030 -16.054 1399 HZ PHE 87 HZ PHE 87 9.648 11.832 -15.224 1400 H PHE 88 HN PHE 88 4.901 5.018 -16.925 1401 HA PHE 88 HA PHE 88 6.637 2.767 -17.903 1402 1HB PHE 88 HB2 PHE 88 4.154 2.876 -16.194 1403 2HB PHE 88 HB1 PHE 88 4.477 1.431 -17.151 1404 HD1 PHE 88 HD2 PHE 88 6.502 0.079 -16.755 1405 HD2 PHE 88 HD1 PHE 88 5.543 3.461 -14.285 1406 HE1 PHE 88 HE2 PHE 88 8.134 -0.697 -15.059 1407 HE2 PHE 88 HE1 PHE 88 7.175 2.680 -12.586 1408 HZ PHE 88 HZ PHE 88 8.472 0.604 -12.975 1409 H GLU 89 HN GLU 89 3.125 2.875 -18.098 1410 HA GLU 89 HA GLU 89 3.355 2.656 -21.060 1411 1HB GLU 89 HB2 GLU 89 0.987 2.261 -19.202 1412 2HB GLU 89 HB1 GLU 89 0.979 1.966 -20.940 1413 1HG GLU 89 HG2 GLU 89 2.759 0.550 -18.929 1414 2HG GLU 89 HG1 GLU 89 1.314 -0.134 -19.672 1415 H HIS 90 HN HIS 90 3.512 4.704 -21.904 1416 HA HIS 90 HA HIS 90 2.178 7.013 -20.794 1417 1HB HIS 90 HB2 HIS 90 2.762 7.984 -23.117 1418 2HB HIS 90 HB1 HIS 90 4.111 7.444 -22.115 1419 HD1 HIS 90 HD1 HIS 90 5.129 5.043 -22.698 1420 HD2 HIS 90 HD2 HIS 90 2.437 6.554 -25.504 1421 HE1 HIS 90 HE1 HIS 90 5.407 3.638 -24.791 1422 HE2 HIS 90 HE2 HIS 90 3.774 4.550 -26.503 1423 H GLU 91 HN GLU 91 1.207 4.463 -22.903 1424 HA GLU 91 HA GLU 91 -1.163 5.993 -23.881 1425 1HB GLU 91 HB2 GLU 91 -1.483 4.036 -25.387 1426 2HB GLU 91 HB1 GLU 91 0.103 4.780 -25.591 1427 1HG GLU 91 HG2 GLU 91 1.042 3.069 -24.013 1428 2HG GLU 91 HG1 GLU 91 -0.534 2.279 -24.002 No H/Q in entry = 1428 Start of MODEL 4 1 1H MET 0 HT3 MET 0 16.844 -1.991 -4.722 2 2H MET 0 HT2 MET 0 17.028 -1.406 -6.306 3 3H MET 0 HT1 MET 0 15.490 -1.841 -5.733 4 HA MET 0 HA MET 0 16.197 -3.597 -7.129 5 1HB MET 0 HB2 MET 0 18.380 -4.750 -6.609 6 2HB MET 0 HB1 MET 0 18.565 -3.106 -7.223 7 1HG MET 0 HG2 MET 0 18.795 -2.267 -4.914 8 2HG MET 0 HG1 MET 0 18.612 -3.909 -4.299 9 1HE MET 0 HE2 MET 0 20.713 -3.546 -2.964 10 2HE MET 0 HE1 MET 0 22.325 -3.230 -3.603 11 3HE MET 0 HE3 MET 0 21.089 -1.965 -3.643 12 H SER 1 HN SER 1 15.771 -2.994 -3.873 13 HA SER 1 HA SER 1 15.764 -5.789 -2.971 14 1HB SER 1 HB2 SER 1 16.343 -3.899 -1.441 15 2HB SER 1 HB1 SER 1 14.690 -3.312 -1.590 16 HG SER 1 HG SER 1 13.960 -5.153 -0.607 17 H GLU 2 HN GLU 2 13.689 -6.582 -1.878 18 HA GLU 2 HA GLU 2 11.599 -6.805 -3.795 19 1HB GLU 2 HB2 GLU 2 11.646 -7.317 -0.808 20 2HB GLU 2 HB1 GLU 2 10.286 -7.747 -1.845 21 1HG GLU 2 HG2 GLU 2 13.122 -8.683 -2.346 22 2HG GLU 2 HG1 GLU 2 11.938 -9.626 -1.443 23 H LEU 3 HN LEU 3 12.030 -4.643 -1.030 24 HA LEU 3 HA LEU 3 9.421 -3.529 -0.936 25 1HB LEU 3 HB2 LEU 3 11.554 -3.212 0.594 26 2HB LEU 3 HB1 LEU 3 11.878 -1.847 -0.463 27 HG LEU 3 HG LEU 3 10.655 -1.028 1.441 28 1HD1 LEU 3 HD13 LEU 3 10.017 -0.268 -0.927 29 2HD1 LEU 3 HD12 LEU 3 8.564 -1.246 -0.717 30 3HD1 LEU 3 HD11 LEU 3 8.884 0.101 0.372 31 1HD2 LEU 3 HD22 LEU 3 9.591 -3.445 1.796 32 2HD2 LEU 3 HD21 LEU 3 8.780 -2.000 2.392 33 3HD2 LEU 3 HD23 LEU 3 8.251 -2.747 0.887 34 H GLU 4 HN GLU 4 12.299 -2.427 -2.779 35 HA GLU 4 HA GLU 4 11.027 -0.209 -4.043 36 1HB GLU 4 HB2 GLU 4 13.304 -1.992 -4.954 37 2HB GLU 4 HB1 GLU 4 12.813 -0.531 -5.810 38 1HG GLU 4 HG2 GLU 4 13.504 -0.496 -2.868 39 2HG GLU 4 HG1 GLU 4 14.731 -0.282 -4.117 40 H LYS 5 HN LYS 5 11.306 -3.612 -5.024 41 HA LYS 5 HA LYS 5 9.961 -3.299 -7.549 42 1HB LYS 5 HB2 LYS 5 10.459 -5.701 -5.783 43 2HB LYS 5 HB1 LYS 5 9.671 -5.814 -7.357 44 1HG LYS 5 HG2 LYS 5 11.634 -4.823 -8.439 45 2HG LYS 5 HG1 LYS 5 12.423 -4.633 -6.872 46 1HD LYS 5 HD2 LYS 5 12.495 -7.030 -6.546 47 2HD LYS 5 HD1 LYS 5 11.521 -7.301 -7.991 48 1HE LYS 5 HE2 LYS 5 13.981 -7.675 -8.346 49 2HE LYS 5 HE1 LYS 5 13.289 -6.456 -9.416 50 1HZ LYS 5 HZ2 LYS 5 14.319 -5.509 -6.866 51 2HZ LYS 5 HZ1 LYS 5 15.477 -6.050 -7.984 52 3HZ LYS 5 HZ3 LYS 5 14.411 -4.802 -8.407 53 H ALA 6 HN ALA 6 8.817 -4.131 -4.294 54 HA ALA 6 HA ALA 6 6.179 -4.897 -5.003 55 1HB ALA 6 HB1 ALA 6 7.159 -3.477 -2.508 56 2HB ALA 6 HB3 ALA 6 5.582 -4.246 -2.673 57 3HB ALA 6 HB2 ALA 6 7.050 -5.223 -2.737 58 H MET 7 HN MET 7 7.565 -1.685 -4.381 59 HA MET 7 HA MET 7 5.137 -0.201 -4.478 60 1HB MET 7 HB2 MET 7 7.474 0.617 -3.832 61 2HB MET 7 HB1 MET 7 7.812 0.731 -5.557 62 1HG MET 7 HG2 MET 7 7.083 2.899 -5.037 63 2HG MET 7 HG1 MET 7 5.612 2.143 -5.648 64 1HE MET 7 HE1 MET 7 7.886 2.693 -2.855 65 2HE MET 7 HE3 MET 7 6.952 4.010 -2.135 66 3HE MET 7 HE2 MET 7 6.990 2.427 -1.365 67 H VAL 8 HN VAL 8 7.394 -1.163 -7.066 68 HA VAL 8 HA VAL 8 5.887 0.077 -9.193 69 HB VAL 8 HB VAL 8 7.951 -2.141 -9.208 70 1HG1 VAL 8 HG12 VAL 8 6.512 -0.715 -11.450 71 2HG1 VAL 8 HG11 VAL 8 8.115 -1.412 -11.690 72 3HG1 VAL 8 HG13 VAL 8 6.763 -2.448 -11.232 73 1HG2 VAL 8 HG23 VAL 8 8.038 0.847 -9.692 74 2HG2 VAL 8 HG22 VAL 8 8.929 -0.081 -8.484 75 3HG2 VAL 8 HG21 VAL 8 9.337 -0.236 -10.192 76 H ALA 9 HN ALA 9 5.963 -3.205 -7.836 77 HA ALA 9 HA ALA 9 4.478 -4.622 -9.699 78 1HB ALA 9 HB2 ALA 9 5.414 -5.489 -7.509 79 2HB ALA 9 HB1 ALA 9 3.988 -4.816 -6.719 80 3HB ALA 9 HB3 ALA 9 3.810 -6.094 -7.921 81 H LEU 10 HN LEU 10 3.068 -2.674 -7.031 82 HA LEU 10 HA LEU 10 0.361 -3.147 -7.777 83 1HB LEU 10 HB2 LEU 10 1.740 -0.949 -6.244 84 2HB LEU 10 HB1 LEU 10 0.027 -0.798 -6.631 85 HG LEU 10 HG LEU 10 -0.312 -3.081 -5.577 86 1HD1 LEU 10 HD11 LEU 10 2.552 -2.563 -4.724 87 2HD1 LEU 10 HD13 LEU 10 1.501 -3.762 -3.971 88 3HD1 LEU 10 HD12 LEU 10 1.957 -3.930 -5.666 89 1HD2 LEU 10 HD21 LEU 10 0.777 -0.796 -3.906 90 2HD2 LEU 10 HD23 LEU 10 -0.906 -1.070 -4.357 91 3HD2 LEU 10 HD22 LEU 10 -0.100 -2.174 -3.241 92 H ILE 11 HN ILE 11 2.605 -0.568 -8.790 93 HA ILE 11 HA ILE 11 0.652 0.800 -10.408 94 HB ILE 11 HB ILE 11 3.679 0.817 -10.539 95 1HG1 ILE 11 HG12 ILE 11 1.767 2.830 -9.321 96 2HG1 ILE 11 HG11 ILE 11 2.553 1.559 -8.386 97 1HG2 ILE 11 HG22 ILE 11 1.548 2.505 -11.869 98 2HG2 ILE 11 HG21 ILE 11 3.199 3.082 -11.651 99 3HG2 ILE 11 HG23 ILE 11 2.890 1.649 -12.629 100 1HD1 ILE 11 HD12 ILE 11 4.148 3.466 -10.103 101 2HD1 ILE 11 HD11 ILE 11 3.712 3.859 -8.441 102 3HD1 ILE 11 HD13 ILE 11 4.713 2.448 -8.777 103 H ASP 12 HN ASP 12 3.099 -1.677 -11.165 104 HA ASP 12 HA ASP 12 2.734 -1.583 -14.001 105 1HB ASP 12 HB2 ASP 12 4.638 -2.704 -12.786 106 2HB ASP 12 HB1 ASP 12 3.524 -4.005 -12.367 107 H VAL 13 HN VAL 13 1.312 -3.798 -11.569 108 HA VAL 13 HA VAL 13 -0.308 -5.197 -13.481 109 HB VAL 13 HB VAL 13 -0.522 -4.883 -10.476 110 1HG1 VAL 13 HG13 VAL 13 -2.173 -6.525 -12.409 111 2HG1 VAL 13 HG12 VAL 13 -2.032 -6.940 -10.700 112 3HG1 VAL 13 HG11 VAL 13 -2.746 -5.400 -11.177 113 1HG2 VAL 13 HG22 VAL 13 0.447 -7.098 -12.308 114 2HG2 VAL 13 HG21 VAL 13 1.439 -6.114 -11.231 115 3HG2 VAL 13 HG23 VAL 13 0.277 -7.259 -10.562 116 H PHE 14 HN PHE 14 -1.093 -2.524 -11.226 117 HA PHE 14 HA PHE 14 -3.839 -2.318 -11.932 118 1HB PHE 14 HB2 PHE 14 -2.834 -1.146 -9.994 119 2HB PHE 14 HB1 PHE 14 -1.975 -0.075 -11.103 120 HD1 PHE 14 HD2 PHE 14 -3.182 1.589 -12.446 121 HD2 PHE 14 HD1 PHE 14 -5.250 -0.998 -9.712 122 HE1 PHE 14 HE2 PHE 14 -5.201 3.019 -12.620 123 HE2 PHE 14 HE1 PHE 14 -7.268 0.430 -9.885 124 HZ PHE 14 HZ PHE 14 -7.247 2.441 -11.339 125 H HIS 15 HN HIS 15 -1.035 -0.528 -13.255 126 HA HIS 15 HA HIS 15 -2.494 1.010 -15.139 127 1HB HIS 15 HB2 HIS 15 -0.148 1.467 -14.578 128 2HB HIS 15 HB1 HIS 15 0.340 -0.047 -15.341 129 HD1 HIS 15 HD1 HIS 15 -1.422 3.209 -16.273 130 HD2 HIS 15 HD2 HIS 15 0.820 0.180 -18.060 131 HE1 HIS 15 HE1 HIS 15 -1.064 3.905 -18.684 132 HE2 HIS 15 HE2 HIS 15 0.308 2.075 -19.776 133 H GLN 16 HN GLN 16 -0.874 -2.145 -15.598 134 HA GLN 16 HA GLN 16 -1.576 -2.383 -18.354 135 1HB GLN 16 HB2 GLN 16 -0.921 -4.456 -16.256 136 2HB GLN 16 HB1 GLN 16 -1.163 -4.850 -17.958 137 1HG GLN 16 HG2 GLN 16 0.641 -3.286 -18.581 138 2HG GLN 16 HG1 GLN 16 0.885 -2.891 -16.879 139 1HE2 GLN 16 HE22 GLN 16 2.566 -5.946 -16.131 140 2HE2 GLN 16 HE21 GLN 16 1.737 -4.623 -15.464 141 H TYR 17 HN TYR 17 -3.131 -3.940 -15.512 142 HA TYR 17 HA TYR 17 -5.267 -5.038 -17.101 143 1HB TYR 17 HB2 TYR 17 -4.604 -5.950 -14.897 144 2HB TYR 17 HB1 TYR 17 -5.213 -4.487 -14.123 145 HD1 TYR 17 HD1 TYR 17 -7.616 -4.015 -14.020 146 HD2 TYR 17 HD2 TYR 17 -6.125 -7.579 -15.894 147 HE1 TYR 17 HE1 TYR 17 -9.901 -4.981 -14.004 148 HE2 TYR 17 HE2 TYR 17 -8.409 -8.545 -15.877 149 HH TYR 17 HH TYR 17 -11.201 -6.644 -15.038 150 H SER 18 HN SER 18 -5.047 -2.092 -15.115 151 HA SER 18 HA SER 18 -7.797 -1.362 -15.335 152 1HB SER 18 HB2 SER 18 -6.164 -0.374 -13.719 153 2HB SER 18 HB1 SER 18 -5.430 0.505 -15.058 154 HG SER 18 HG SER 18 -7.151 1.765 -15.191 155 H GLY 19 HN GLY 19 -5.020 -0.551 -17.424 156 1HA GLY 19 HA2 GLY 19 -6.493 1.310 -19.055 157 2HA GLY 19 HA1 GLY 19 -4.967 0.552 -19.500 158 H ARG 20 HN ARG 20 -6.558 -2.116 -18.921 159 HA ARG 20 HA ARG 20 -7.084 -2.711 -21.664 160 1HB ARG 20 HB2 ARG 20 -7.956 -4.080 -19.106 161 2HB ARG 20 HB1 ARG 20 -8.270 -4.749 -20.705 162 1HG ARG 20 HG2 ARG 20 -5.464 -3.936 -19.983 163 2HG ARG 20 HG1 ARG 20 -6.095 -5.461 -19.375 164 1HD ARG 20 HD2 ARG 20 -6.412 -6.322 -21.565 165 2HD ARG 20 HD1 ARG 20 -6.242 -4.737 -22.310 166 HE ARG 20 HE ARG 20 -3.811 -5.165 -21.022 167 1HH1 ARG 20 HH21 ARG 20 -5.784 -6.784 -23.335 168 2HH1 ARG 20 HH22 ARG 20 -4.453 -7.549 -24.135 169 1HH2 ARG 20 HH11 ARG 20 -2.058 -6.151 -22.048 170 2HH2 ARG 20 HH12 ARG 20 -2.338 -7.189 -23.407 171 H GLU 21 HN GLU 21 -9.242 -1.748 -19.013 172 HA GLU 21 HA GLU 21 -11.490 -1.516 -20.994 173 1HB GLU 21 HB2 GLU 21 -11.505 -1.909 -17.988 174 2HB GLU 21 HB1 GLU 21 -12.950 -1.606 -18.952 175 1HG GLU 21 HG2 GLU 21 -11.044 -3.895 -19.501 176 2HG GLU 21 HG1 GLU 21 -12.476 -4.055 -18.485 177 H GLY 22 HN GLY 22 -12.216 0.516 -21.416 178 1HA GLY 22 HA2 GLY 22 -12.787 2.782 -20.981 179 2HA GLY 22 HA1 GLY 22 -12.026 2.644 -19.397 180 H ASP 23 HN ASP 23 -9.673 1.401 -21.099 181 HA ASP 23 HA ASP 23 -7.584 2.248 -21.763 182 1HB ASP 23 HB2 ASP 23 -9.108 2.703 -23.775 183 2HB ASP 23 HB1 ASP 23 -9.197 4.368 -23.196 184 H LYS 24 HN LYS 24 -8.481 3.217 -19.231 185 HA LYS 24 HA LYS 24 -6.823 5.613 -19.050 186 1HB LYS 24 HB2 LYS 24 -9.203 6.395 -19.712 187 2HB LYS 24 HB1 LYS 24 -9.675 5.915 -18.083 188 1HG LYS 24 HG2 LYS 24 -7.901 7.396 -17.156 189 2HG LYS 24 HG1 LYS 24 -7.493 7.902 -18.794 190 1HD LYS 24 HD2 LYS 24 -10.210 8.266 -17.493 191 2HD LYS 24 HD1 LYS 24 -8.990 9.527 -17.655 192 1HE LYS 24 HE2 LYS 24 -9.079 8.876 -20.217 193 2HE LYS 24 HE1 LYS 24 -10.663 8.230 -19.787 194 1HZ LYS 24 HZ1 LYS 24 -10.447 10.723 -18.586 195 2HZ LYS 24 HZ3 LYS 24 -9.896 10.914 -20.177 196 3HZ LYS 24 HZ2 LYS 24 -11.446 10.281 -19.887 197 H HIS 25 HN HIS 25 -8.838 5.909 -16.500 198 HA HIS 25 HA HIS 25 -7.762 3.639 -14.928 199 1HB HIS 25 HB2 HIS 25 -7.315 6.544 -14.173 200 2HB HIS 25 HB1 HIS 25 -6.884 5.144 -13.189 201 HD1 HIS 25 HD1 HIS 25 -5.217 3.370 -14.508 202 HD2 HIS 25 HD2 HIS 25 -5.270 7.309 -15.879 203 HE1 HIS 25 HE1 HIS 25 -3.112 3.680 -15.882 204 HE2 HIS 25 HE2 HIS 25 -3.132 6.073 -16.721 205 H LYS 26 HN LYS 26 -10.137 3.227 -15.129 206 HA LYS 26 HA LYS 26 -11.540 4.458 -12.816 207 1HB LYS 26 HB2 LYS 26 -13.582 4.838 -14.135 208 2HB LYS 26 HB1 LYS 26 -12.243 5.781 -14.778 209 1HG LYS 26 HG2 LYS 26 -12.837 4.873 -16.800 210 2HG LYS 26 HG1 LYS 26 -11.978 3.444 -16.234 211 1HD LYS 26 HD2 LYS 26 -14.159 2.634 -15.242 212 2HD LYS 26 HD1 LYS 26 -14.955 3.991 -16.038 213 1HE LYS 26 HE2 LYS 26 -14.091 3.185 -18.225 214 2HE LYS 26 HE1 LYS 26 -13.371 1.797 -17.407 215 1HZ LYS 26 HZ3 LYS 26 -15.734 1.428 -16.519 216 2HZ LYS 26 HZ2 LYS 26 -16.222 2.450 -17.786 217 3HZ LYS 26 HZ1 LYS 26 -15.403 1.000 -18.127 218 H LEU 27 HN LEU 27 -13.074 3.066 -11.891 219 HA LEU 27 HA LEU 27 -13.317 0.324 -13.090 220 1HB LEU 27 HB2 LEU 27 -12.983 1.006 -10.148 221 2HB LEU 27 HB1 LEU 27 -13.156 -0.611 -10.824 222 HG LEU 27 HG LEU 27 -10.907 1.261 -11.609 223 1HD1 LEU 27 HD11 LEU 27 -11.108 -0.726 -9.345 224 2HD1 LEU 27 HD13 LEU 27 -9.550 -0.320 -10.068 225 3HD1 LEU 27 HD12 LEU 27 -10.522 0.935 -9.301 226 1HD2 LEU 27 HD23 LEU 27 -11.471 -1.693 -11.985 227 2HD2 LEU 27 HD22 LEU 27 -11.147 -0.479 -13.222 228 3HD2 LEU 27 HD21 LEU 27 -9.850 -1.021 -12.162 229 H LYS 28 HN LYS 28 -15.435 -0.235 -13.333 230 HA LYS 28 HA LYS 28 -17.500 1.397 -11.916 231 1HB LYS 28 HB2 LYS 28 -19.048 0.230 -13.599 232 2HB LYS 28 HB1 LYS 28 -17.906 1.400 -14.256 233 1HG LYS 28 HG2 LYS 28 -16.457 -0.301 -15.061 234 2HG LYS 28 HG1 LYS 28 -17.245 -1.539 -14.087 235 1HD LYS 28 HD2 LYS 28 -17.936 -1.722 -16.443 236 2HD LYS 28 HD1 LYS 28 -19.306 -1.284 -15.422 237 1HE LYS 28 HE2 LYS 28 -17.652 0.849 -16.772 238 2HE LYS 28 HE1 LYS 28 -18.958 0.036 -17.634 239 1HZ LYS 28 HZ2 LYS 28 -20.104 0.642 -15.271 240 2HZ LYS 28 HZ1 LYS 28 -19.091 1.983 -15.519 241 3HZ LYS 28 HZ3 LYS 28 -20.249 1.569 -16.687 242 H LYS 29 HN LYS 29 -19.617 -0.174 -11.681 243 HA LYS 29 HA LYS 29 -19.034 -1.864 -9.476 244 1HB LYS 29 HB2 LYS 29 -21.440 -1.920 -11.326 245 2HB LYS 29 HB1 LYS 29 -21.354 -2.687 -9.745 246 1HG LYS 29 HG2 LYS 29 -22.163 -0.724 -8.893 247 2HG LYS 29 HG1 LYS 29 -20.557 -0.066 -9.181 248 1HD LYS 29 HD2 LYS 29 -21.932 1.466 -10.303 249 2HD LYS 29 HD1 LYS 29 -21.445 0.388 -11.609 250 1HE LYS 29 HE2 LYS 29 -23.558 -0.922 -11.221 251 2HE LYS 29 HE1 LYS 29 -24.052 0.312 -10.064 252 1HZ LYS 29 HZ1 LYS 29 -23.300 0.951 -12.855 253 2HZ LYS 29 HZ3 LYS 29 -24.893 0.590 -12.402 254 3HZ LYS 29 HZ2 LYS 29 -24.109 1.942 -11.736 255 H SER 30 HN SER 30 -19.822 -2.787 -12.854 256 HA SER 30 HA SER 30 -19.567 -5.600 -12.443 257 1HB SER 30 HB2 SER 30 -19.105 -3.978 -14.959 258 2HB SER 30 HB1 SER 30 -19.316 -5.725 -14.904 259 HG SER 30 HG SER 30 -21.213 -4.056 -13.682 260 H GLU 31 HN GLU 31 -17.174 -3.197 -13.514 261 HA GLU 31 HA GLU 31 -15.066 -5.059 -14.005 262 1HB GLU 31 HB2 GLU 31 -15.119 -2.667 -14.775 263 2HB GLU 31 HB1 GLU 31 -14.771 -2.181 -13.115 264 1HG GLU 31 HG2 GLU 31 -12.663 -3.362 -13.135 265 2HG GLU 31 HG1 GLU 31 -13.035 -4.095 -14.697 266 H LEU 32 HN LEU 32 -15.985 -3.266 -11.072 267 HA LEU 32 HA LEU 32 -13.714 -3.952 -9.517 268 1HB LEU 32 HB2 LEU 32 -15.388 -2.263 -8.827 269 2HB LEU 32 HB1 LEU 32 -16.578 -3.541 -8.599 270 HG LEU 32 HG LEU 32 -15.070 -4.574 -6.878 271 1HD1 LEU 32 HD13 LEU 32 -13.413 -2.153 -7.587 272 2HD1 LEU 32 HD12 LEU 32 -13.325 -2.842 -5.966 273 3HD1 LEU 32 HD11 LEU 32 -12.894 -3.823 -7.362 274 1HD2 LEU 32 HD22 LEU 32 -16.083 -1.743 -6.549 275 2HD2 LEU 32 HD21 LEU 32 -16.835 -3.247 -6.011 276 3HD2 LEU 32 HD23 LEU 32 -15.392 -2.641 -5.197 277 H LYS 33 HN LYS 33 -16.870 -5.628 -9.780 278 HA LYS 33 HA LYS 33 -16.219 -7.789 -8.042 279 1HB LYS 33 HB2 LYS 33 -18.082 -7.626 -10.424 280 2HB LYS 33 HB1 LYS 33 -17.988 -9.027 -9.356 281 1HG LYS 33 HG2 LYS 33 -18.678 -7.731 -7.456 282 2HG LYS 33 HG1 LYS 33 -18.521 -6.221 -8.354 283 1HD LYS 33 HD2 LYS 33 -20.883 -6.876 -8.206 284 2HD LYS 33 HD1 LYS 33 -20.333 -6.954 -9.879 285 1HE LYS 33 HE2 LYS 33 -20.205 -9.409 -8.132 286 2HE LYS 33 HE1 LYS 33 -21.715 -8.953 -8.919 287 1HZ LYS 33 HZ1 LYS 33 -19.738 -8.717 -10.835 288 2HZ LYS 33 HZ3 LYS 33 -19.431 -10.183 -10.040 289 3HZ LYS 33 HZ2 LYS 33 -20.950 -9.904 -10.747 290 H GLU 34 HN GLU 34 -15.718 -7.364 -11.537 291 HA GLU 34 HA GLU 34 -14.730 -10.009 -12.034 292 1HB GLU 34 HB2 GLU 34 -14.307 -7.379 -13.474 293 2HB GLU 34 HB1 GLU 34 -13.699 -8.919 -14.083 294 1HG GLU 34 HG2 GLU 34 -16.610 -8.438 -13.393 295 2HG GLU 34 HG1 GLU 34 -15.951 -8.234 -15.017 296 H LEU 35 HN LEU 35 -13.094 -6.986 -11.126 297 HA LEU 35 HA LEU 35 -10.422 -7.941 -11.400 298 1HB LEU 35 HB2 LEU 35 -11.363 -5.536 -10.884 299 2HB LEU 35 HB1 LEU 35 -11.215 -6.032 -9.200 300 HG LEU 35 HG LEU 35 -8.968 -6.083 -11.242 301 1HD1 LEU 35 HD11 LEU 35 -9.706 -4.151 -9.036 302 2HD1 LEU 35 HD13 LEU 35 -8.076 -4.239 -9.705 303 3HD1 LEU 35 HD12 LEU 35 -9.434 -3.801 -10.742 304 1HD2 LEU 35 HD22 LEU 35 -9.201 -6.943 -8.365 305 2HD2 LEU 35 HD21 LEU 35 -8.342 -7.713 -9.699 306 3HD2 LEU 35 HD23 LEU 35 -7.670 -6.279 -8.933 307 H ILE 36 HN ILE 36 -12.634 -7.974 -8.601 308 HA ILE 36 HA ILE 36 -10.853 -9.197 -6.752 309 HB ILE 36 HB ILE 36 -13.875 -9.302 -6.988 310 1HG1 ILE 36 HG12 ILE 36 -12.115 -7.788 -5.043 311 2HG1 ILE 36 HG11 ILE 36 -12.671 -7.095 -6.567 312 1HG2 ILE 36 HG23 ILE 36 -12.006 -10.363 -4.863 313 2HG2 ILE 36 HG22 ILE 36 -13.679 -9.932 -4.498 314 3HG2 ILE 36 HG21 ILE 36 -13.329 -11.204 -5.670 315 1HD1 ILE 36 HD11 ILE 36 -15.018 -7.515 -5.885 316 2HD1 ILE 36 HD13 ILE 36 -14.444 -8.153 -4.345 317 3HD1 ILE 36 HD12 ILE 36 -14.189 -6.455 -4.746 318 H ASN 37 HN ASN 37 -13.127 -10.635 -9.072 319 HA ASN 37 HA ASN 37 -12.574 -13.359 -8.287 320 1HB ASN 37 HB2 ASN 37 -13.768 -12.192 -10.813 321 2HB ASN 37 HB1 ASN 37 -13.721 -13.916 -10.444 322 1HD2 ASN 37 HD22 ASN 37 -16.803 -11.908 -9.059 323 2HD2 ASN 37 HD21 ASN 37 -15.893 -11.523 -10.439 324 H ASN 38 HN ASN 38 -10.853 -11.078 -10.181 325 HA ASN 38 HA ASN 38 -9.633 -12.762 -12.109 326 1HB ASN 38 HB2 ASN 38 -9.528 -10.211 -11.907 327 2HB ASN 38 HB1 ASN 38 -8.228 -10.462 -10.745 328 1HD2 ASN 38 HD22 ASN 38 -6.613 -10.126 -14.076 329 2HD2 ASN 38 HD21 ASN 38 -7.503 -9.121 -13.039 330 H GLU 39 HN GLU 39 -8.396 -11.915 -8.817 331 HA GLU 39 HA GLU 39 -7.153 -14.579 -8.687 332 1HB GLU 39 HB2 GLU 39 -4.899 -13.401 -7.994 333 2HB GLU 39 HB1 GLU 39 -5.253 -13.679 -9.691 334 1HG GLU 39 HG2 GLU 39 -6.164 -11.098 -8.438 335 2HG GLU 39 HG1 GLU 39 -4.461 -11.282 -8.843 336 H LEU 40 HN LEU 40 -8.361 -11.738 -7.201 337 HA LEU 40 HA LEU 40 -7.330 -12.430 -4.524 338 1HB LEU 40 HB2 LEU 40 -9.066 -10.241 -5.654 339 2HB LEU 40 HB1 LEU 40 -9.085 -10.540 -3.917 340 HG LEU 40 HG LEU 40 -6.596 -10.311 -3.888 341 1HD1 LEU 40 HD13 LEU 40 -7.084 -9.675 -6.805 342 2HD1 LEU 40 HD12 LEU 40 -5.625 -9.164 -5.957 343 3HD1 LEU 40 HD11 LEU 40 -5.991 -10.881 -6.123 344 1HD2 LEU 40 HD23 LEU 40 -8.235 -8.013 -4.993 345 2HD2 LEU 40 HD22 LEU 40 -7.894 -8.366 -3.299 346 3HD2 LEU 40 HD21 LEU 40 -6.598 -7.824 -4.365 347 H SER 41 HN SER 41 -9.473 -13.915 -6.394 348 HA SER 41 HA SER 41 -11.881 -14.087 -4.885 349 1HB SER 41 HB2 SER 41 -12.366 -16.030 -6.164 350 2HB SER 41 HB1 SER 41 -11.363 -15.044 -7.224 351 HG SER 41 HG SER 41 -10.911 -17.505 -6.292 352 H HIS 42 HN HIS 42 -8.826 -15.890 -4.630 353 HA HIS 42 HA HIS 42 -9.706 -17.764 -2.661 354 1HB HIS 42 HB2 HIS 42 -7.556 -17.839 -4.022 355 2HB HIS 42 HB1 HIS 42 -6.904 -16.646 -2.899 356 HD1 HIS 42 HD1 HIS 42 -7.357 -17.469 -0.216 357 HD2 HIS 42 HD2 HIS 42 -7.000 -20.395 -3.169 358 HE1 HIS 42 HE1 HIS 42 -6.767 -19.626 0.979 359 HE2 HIS 42 HE2 HIS 42 -6.558 -21.415 -0.808 360 H PHE 43 HN PHE 43 -8.221 -14.539 -2.334 361 HA PHE 43 HA PHE 43 -8.084 -14.635 0.547 362 1HB PHE 43 HB2 PHE 43 -7.830 -12.516 -1.562 363 2HB PHE 43 HB1 PHE 43 -8.084 -11.985 0.100 364 HD1 PHE 43 HD2 PHE 43 -6.150 -14.836 -1.405 365 HD2 PHE 43 HD1 PHE 43 -6.049 -11.294 1.025 366 HE1 PHE 43 HE2 PHE 43 -3.754 -15.243 -0.908 367 HE2 PHE 43 HE1 PHE 43 -3.656 -11.704 1.524 368 HZ PHE 43 HZ PHE 43 -2.510 -13.678 0.559 369 H LEU 44 HN LEU 44 -10.447 -13.152 -1.692 370 HA LEU 44 HA LEU 44 -12.356 -12.913 0.621 371 1HB LEU 44 HB2 LEU 44 -12.316 -11.312 -1.953 372 2HB LEU 44 HB1 LEU 44 -13.359 -11.043 -0.556 373 HG LEU 44 HG LEU 44 -10.334 -10.816 -0.567 374 1HD1 LEU 44 HD13 LEU 44 -12.565 -8.771 -0.548 375 2HD1 LEU 44 HD12 LEU 44 -10.906 -8.381 -0.090 376 3HD1 LEU 44 HD11 LEU 44 -11.262 -8.937 -1.726 377 1HD2 LEU 44 HD22 LEU 44 -12.428 -10.608 1.601 378 2HD2 LEU 44 HD21 LEU 44 -10.883 -11.460 1.634 379 3HD2 LEU 44 HD23 LEU 44 -10.920 -9.703 1.731 380 H GLU 45 HN GLU 45 -14.171 -14.085 0.488 381 HA GLU 45 HA GLU 45 -15.279 -14.857 -2.133 382 1HB GLU 45 HB2 GLU 45 -13.519 -16.594 -1.248 383 2HB GLU 45 HB1 GLU 45 -14.773 -17.038 -0.099 384 1HG GLU 45 HG2 GLU 45 -15.433 -16.905 -3.047 385 2HG GLU 45 HG1 GLU 45 -14.600 -18.311 -2.401 386 H GLU 46 HN GLU 46 -15.789 -13.500 0.706 387 HA GLU 46 HA GLU 46 -18.151 -14.933 1.643 388 1HB GLU 46 HB2 GLU 46 -18.408 -13.071 3.204 389 2HB GLU 46 HB1 GLU 46 -16.719 -13.572 3.167 390 1HG GLU 46 HG2 GLU 46 -16.257 -11.746 1.520 391 2HG GLU 46 HG1 GLU 46 -17.925 -11.200 1.706 392 H ILE 47 HN ILE 47 -17.537 -12.826 -0.929 393 HA ILE 47 HA ILE 47 -20.065 -11.405 -0.908 394 HB ILE 47 HB ILE 47 -18.123 -11.932 -3.178 395 1HG1 ILE 47 HG12 ILE 47 -18.517 -9.439 -1.496 396 2HG1 ILE 47 HG11 ILE 47 -17.276 -10.647 -1.160 397 1HG2 ILE 47 HG23 ILE 47 -20.540 -10.134 -2.900 398 2HG2 ILE 47 HG22 ILE 47 -19.299 -9.872 -4.126 399 3HG2 ILE 47 HG21 ILE 47 -20.242 -11.362 -4.130 400 1HD1 ILE 47 HD12 ILE 47 -17.541 -9.329 -3.867 401 2HD1 ILE 47 HD11 ILE 47 -16.552 -8.642 -2.580 402 3HD1 ILE 47 HD13 ILE 47 -16.170 -10.236 -3.229 403 H LYS 48 HN LYS 48 -22.006 -12.170 -1.539 404 HA LYS 48 HA LYS 48 -22.123 -14.522 -3.385 405 1HB LYS 48 HB2 LYS 48 -22.365 -15.158 -0.919 406 2HB LYS 48 HB1 LYS 48 -23.874 -14.248 -0.932 407 1HG LYS 48 HG2 LYS 48 -24.714 -15.664 -2.771 408 2HG LYS 48 HG1 LYS 48 -23.205 -16.577 -2.753 409 1HD LYS 48 HD2 LYS 48 -23.673 -17.073 -0.300 410 2HD LYS 48 HD1 LYS 48 -25.286 -16.409 -0.563 411 1HE LYS 48 HE2 LYS 48 -25.512 -18.758 -0.897 412 2HE LYS 48 HE1 LYS 48 -25.483 -18.057 -2.516 413 1HZ LYS 48 HZ3 LYS 48 -22.905 -18.756 -1.372 414 2HZ LYS 48 HZ2 LYS 48 -23.918 -20.061 -1.770 415 3HZ LYS 48 HZ1 LYS 48 -23.473 -18.934 -2.960 416 H GLU 49 HN GLU 49 -24.161 -12.108 -1.667 417 HA GLU 49 HA GLU 49 -25.971 -12.009 -4.023 418 1HB GLU 49 HB2 GLU 49 -26.124 -10.835 -1.236 419 2HB GLU 49 HB1 GLU 49 -27.264 -10.396 -2.506 420 1HG GLU 49 HG2 GLU 49 -28.288 -12.177 -1.280 421 2HG GLU 49 HG1 GLU 49 -27.719 -12.891 -2.788 422 H GLN 50 HN GLN 50 -26.330 -10.077 -5.195 423 HA GLN 50 HA GLN 50 -24.061 -8.428 -5.675 424 1HB GLN 50 HB2 GLN 50 -26.963 -7.740 -6.242 425 2HB GLN 50 HB1 GLN 50 -25.545 -7.045 -7.022 426 1HG GLN 50 HG2 GLN 50 -25.972 -8.657 -8.613 427 2HG GLN 50 HG1 GLN 50 -25.060 -9.683 -7.510 428 1HE2 GLN 50 HE22 GLN 50 -28.992 -10.400 -8.134 429 2HE2 GLN 50 HE21 GLN 50 -28.156 -9.185 -8.974 430 H GLU 51 HN GLU 51 -26.786 -8.061 -3.482 431 HA GLU 51 HA GLU 51 -26.496 -5.302 -2.878 432 1HB GLU 51 HB2 GLU 51 -27.444 -7.620 -1.174 433 2HB GLU 51 HB1 GLU 51 -27.545 -5.936 -0.662 434 1HG GLU 51 HG2 GLU 51 -28.908 -5.406 -2.649 435 2HG GLU 51 HG1 GLU 51 -28.812 -7.090 -3.166 436 H VAL 52 HN VAL 52 -24.816 -8.149 -1.601 437 HA VAL 52 HA VAL 52 -23.464 -6.860 0.545 438 HB VAL 52 HB VAL 52 -22.660 -9.191 -1.218 439 1HG1 VAL 52 HG12 VAL 52 -21.356 -8.045 1.260 440 2HG1 VAL 52 HG11 VAL 52 -21.097 -9.708 0.735 441 3HG1 VAL 52 HG13 VAL 52 -20.610 -8.370 -0.304 442 1HG2 VAL 52 HG23 VAL 52 -24.705 -9.403 0.230 443 2HG2 VAL 52 HG22 VAL 52 -23.424 -10.540 0.646 444 3HG2 VAL 52 HG21 VAL 52 -23.683 -9.104 1.635 445 H VAL 53 HN VAL 53 -22.622 -7.151 -2.909 446 HA VAL 53 HA VAL 53 -20.052 -5.888 -2.679 447 HB VAL 53 HB VAL 53 -21.985 -6.141 -5.002 448 1HG1 VAL 53 HG13 VAL 53 -19.207 -4.946 -4.865 449 2HG1 VAL 53 HG12 VAL 53 -19.902 -5.553 -6.369 450 3HG1 VAL 53 HG11 VAL 53 -20.671 -4.213 -5.521 451 1HG2 VAL 53 HG21 VAL 53 -19.374 -7.522 -4.299 452 2HG2 VAL 53 HG23 VAL 53 -20.982 -8.238 -4.199 453 3HG2 VAL 53 HG22 VAL 53 -20.307 -7.804 -5.769 454 H ASP 54 HN ASP 54 -23.318 -4.612 -3.290 455 HA ASP 54 HA ASP 54 -22.558 -1.908 -3.768 456 1HB ASP 54 HB2 ASP 54 -24.845 -2.778 -4.171 457 2HB ASP 54 HB1 ASP 54 -25.077 -2.943 -2.430 458 H LYS 55 HN LYS 55 -23.324 -3.613 -0.742 459 HA LYS 55 HA LYS 55 -23.140 -1.379 1.006 460 1HB LYS 55 HB2 LYS 55 -23.973 -3.698 1.577 461 2HB LYS 55 HB1 LYS 55 -22.288 -4.213 1.649 462 1HG LYS 55 HG2 LYS 55 -21.969 -2.237 3.305 463 2HG LYS 55 HG1 LYS 55 -23.727 -2.244 3.428 464 1HD LYS 55 HD2 LYS 55 -21.906 -4.606 3.981 465 2HD LYS 55 HD1 LYS 55 -22.727 -3.630 5.200 466 1HE LYS 55 HE2 LYS 55 -24.914 -4.266 4.080 467 2HE LYS 55 HE1 LYS 55 -23.995 -5.426 3.120 468 1HZ LYS 55 HZ3 LYS 55 -23.107 -6.076 5.492 469 2HZ LYS 55 HZ2 LYS 55 -24.612 -5.450 5.973 470 3HZ LYS 55 HZ1 LYS 55 -24.539 -6.737 4.866 471 H VAL 56 HN VAL 56 -20.627 -3.643 -0.122 472 HA VAL 56 HA VAL 56 -18.514 -2.505 1.446 473 HB VAL 56 HB VAL 56 -18.502 -4.100 -1.129 474 1HG1 VAL 56 HG13 VAL 56 -16.220 -3.093 0.578 475 2HG1 VAL 56 HG12 VAL 56 -16.054 -4.499 -0.473 476 3HG1 VAL 56 HG11 VAL 56 -16.433 -2.921 -1.164 477 1HG2 VAL 56 HG21 VAL 56 -17.968 -4.774 1.779 478 2HG2 VAL 56 HG23 VAL 56 -19.317 -5.339 0.793 479 3HG2 VAL 56 HG22 VAL 56 -17.678 -5.884 0.440 480 H MET 57 HN MET 57 -19.690 -1.824 -1.847 481 HA MET 57 HA MET 57 -17.615 0.017 -2.538 482 1HB MET 57 HB2 MET 57 -19.237 -0.976 -4.165 483 2HB MET 57 HB1 MET 57 -20.491 0.065 -3.491 484 1HG MET 57 HG2 MET 57 -19.194 2.058 -4.088 485 2HG MET 57 HG1 MET 57 -17.893 1.044 -4.710 486 1HE MET 57 HE2 MET 57 -17.790 2.120 -6.878 487 2HE MET 57 HE1 MET 57 -17.734 0.387 -7.194 488 3HE MET 57 HE3 MET 57 -18.680 1.452 -8.244 489 H GLU 58 HN GLU 58 -20.819 0.574 -1.046 490 HA GLU 58 HA GLU 58 -20.600 3.419 -0.934 491 1HB GLU 58 HB2 GLU 58 -22.102 1.448 0.807 492 2HB GLU 58 HB1 GLU 58 -22.258 3.196 0.980 493 1HG GLU 58 HG2 GLU 58 -22.686 1.793 -1.664 494 2HG GLU 58 HG1 GLU 58 -23.997 2.061 -0.515 495 H THR 59 HN THR 59 -19.562 0.888 1.327 496 HA THR 59 HA THR 59 -18.649 2.724 3.362 497 HB THR 59 HB THR 59 -17.829 -0.140 2.793 498 HG1 THR 59 HG1 THR 59 -20.058 0.998 3.802 499 1HG2 THR 59 HG22 THR 59 -17.275 1.753 5.065 500 2HG2 THR 59 HG21 THR 59 -17.400 0.022 5.372 501 3HG2 THR 59 HG23 THR 59 -16.178 0.632 4.257 502 H LEU 60 HN LEU 60 -17.034 1.007 0.704 503 HA LEU 60 HA LEU 60 -14.397 1.885 1.292 504 1HB LEU 60 HB2 LEU 60 -14.807 0.055 -0.254 505 2HB LEU 60 HB1 LEU 60 -15.674 1.129 -1.349 506 HG LEU 60 HG LEU 60 -13.644 2.390 -1.810 507 1HD1 LEU 60 HD11 LEU 60 -12.521 0.686 0.415 508 2HD1 LEU 60 HD13 LEU 60 -11.456 1.375 -0.810 509 3HD1 LEU 60 HD12 LEU 60 -12.424 2.435 0.205 510 1HD2 LEU 60 HD22 LEU 60 -13.372 -0.621 -1.965 511 2HD2 LEU 60 HD21 LEU 60 -13.895 0.489 -3.232 512 3HD2 LEU 60 HD23 LEU 60 -12.209 0.472 -2.715 513 H ASP 61 HN ASP 61 -16.847 3.299 -0.899 514 HA ASP 61 HA ASP 61 -15.092 5.556 -1.522 515 1HB ASP 61 HB2 ASP 61 -18.000 4.985 -2.143 516 2HB ASP 61 HB1 ASP 61 -17.165 6.447 -2.667 517 H GLU 62 HN GLU 62 -14.720 7.032 0.030 518 HA GLU 62 HA GLU 62 -16.497 7.491 2.255 519 1HB GLU 62 HB2 GLU 62 -14.121 9.046 1.194 520 2HB GLU 62 HB1 GLU 62 -14.962 9.451 2.690 521 1HG GLU 62 HG2 GLU 62 -13.144 8.086 3.377 522 2HG GLU 62 HG1 GLU 62 -14.537 7.006 3.392 523 H ASP 63 HN ASP 63 -15.888 9.223 -0.789 524 HA ASP 63 HA ASP 63 -17.843 11.311 -0.086 525 1HB ASP 63 HB2 ASP 63 -17.279 12.235 -2.307 526 2HB ASP 63 HB1 ASP 63 -15.826 11.911 -1.360 527 H GLY 64 HN GLY 64 -18.038 8.195 -1.351 528 1HA GLY 64 HA2 GLY 64 -19.770 7.053 -2.455 529 2HA GLY 64 HA1 GLY 64 -20.822 8.330 -1.846 530 H ASP 65 HN ASP 65 -18.099 8.589 -4.147 531 HA ASP 65 HA ASP 65 -19.616 10.319 -5.888 532 1HB ASP 65 HB2 ASP 65 -17.718 10.089 -7.432 533 2HB ASP 65 HB1 ASP 65 -17.131 10.335 -5.787 534 H GLY 66 HN GLY 66 -19.373 6.885 -5.572 535 1HA GLY 66 HA2 GLY 66 -21.043 5.438 -6.595 536 2HA GLY 66 HA1 GLY 66 -21.154 6.558 -7.950 537 H GLU 67 HN GLU 67 -17.970 6.518 -7.599 538 HA GLU 67 HA GLU 67 -17.471 3.879 -8.884 539 1HB GLU 67 HB2 GLU 67 -16.260 4.908 -10.739 540 2HB GLU 67 HB1 GLU 67 -17.913 5.517 -10.704 541 1HG GLU 67 HG2 GLU 67 -17.146 7.552 -9.538 542 2HG GLU 67 HG1 GLU 67 -15.488 6.952 -9.576 543 H CYS 68 HN CYS 68 -15.204 3.267 -8.814 544 HA CYS 68 HA CYS 68 -13.752 4.620 -6.578 545 1HB CYS 68 HB2 CYS 68 -13.442 1.865 -7.803 546 2HB CYS 68 HB1 CYS 68 -12.434 2.501 -6.502 547 HG CYS 68 HG CYS 68 -15.054 1.226 -6.041 548 H ASP 69 HN ASP 69 -12.046 5.866 -7.072 549 HA ASP 69 HA ASP 69 -10.863 5.719 -9.798 550 1HB ASP 69 HB2 ASP 69 -10.517 7.766 -7.581 551 2HB ASP 69 HB1 ASP 69 -9.835 7.888 -9.204 552 H PHE 70 HN PHE 70 -8.370 6.259 -9.729 553 HA PHE 70 HA PHE 70 -7.025 4.033 -8.587 554 1HB PHE 70 HB2 PHE 70 -6.097 5.195 -10.496 555 2HB PHE 70 HB1 PHE 70 -5.966 6.693 -9.579 556 HD1 PHE 70 HD1 PHE 70 -4.827 3.116 -9.513 557 HD2 PHE 70 HD2 PHE 70 -3.959 7.193 -8.470 558 HE1 PHE 70 HE1 PHE 70 -2.570 2.441 -8.737 559 HE2 PHE 70 HE2 PHE 70 -1.705 6.516 -7.691 560 HZ PHE 70 HZ PHE 70 -1.010 4.140 -7.825 561 H GLN 71 HN GLN 71 -7.296 7.399 -7.402 562 HA GLN 71 HA GLN 71 -5.503 7.118 -5.204 563 1HB GLN 71 HB2 GLN 71 -7.970 8.836 -5.560 564 2HB GLN 71 HB1 GLN 71 -6.907 8.959 -4.159 565 1HG GLN 71 HG2 GLN 71 -5.034 9.579 -5.536 566 2HG GLN 71 HG1 GLN 71 -5.928 9.216 -7.013 567 1HE2 GLN 71 HE22 GLN 71 -6.081 12.925 -6.287 568 2HE2 GLN 71 HE21 GLN 71 -4.790 11.832 -6.431 569 H GLU 72 HN GLU 72 -8.981 6.449 -5.465 570 HA GLU 72 HA GLU 72 -9.315 5.721 -2.701 571 1HB GLU 72 HB2 GLU 72 -10.931 5.109 -5.189 572 2HB GLU 72 HB1 GLU 72 -11.436 4.633 -3.566 573 1HG GLU 72 HG2 GLU 72 -11.382 6.973 -2.833 574 2HG GLU 72 HG1 GLU 72 -10.814 7.475 -4.426 575 H PHE 73 HN PHE 73 -8.548 3.863 -5.628 576 HA PHE 73 HA PHE 73 -8.810 1.263 -4.514 577 1HB PHE 73 HB2 PHE 73 -8.513 1.634 -6.918 578 2HB PHE 73 HB1 PHE 73 -6.879 2.239 -6.638 579 HD1 PHE 73 HD2 PHE 73 -5.068 0.740 -5.976 580 HD2 PHE 73 HD1 PHE 73 -9.038 -0.747 -6.673 581 HE1 PHE 73 HE2 PHE 73 -4.190 -1.579 -6.027 582 HE2 PHE 73 HE1 PHE 73 -8.159 -3.066 -6.724 583 HZ PHE 73 HZ PHE 73 -5.734 -3.481 -6.401 584 H MET 74 HN MET 74 -6.020 3.488 -4.492 585 HA MET 74 HA MET 74 -4.148 1.664 -3.357 586 1HB MET 74 HB2 MET 74 -3.861 4.122 -4.274 587 2HB MET 74 HB1 MET 74 -4.167 4.589 -2.605 588 1HG MET 74 HG2 MET 74 -1.961 2.760 -3.599 589 2HG MET 74 HG1 MET 74 -1.766 4.381 -2.936 590 1HE MET 74 HE2 MET 74 -0.108 2.299 -2.174 591 2HE MET 74 HE1 MET 74 -0.247 1.669 -0.536 592 3HE MET 74 HE3 MET 74 -1.029 0.827 -1.880 593 H ALA 75 HN ALA 75 -6.543 3.814 -1.870 594 HA ALA 75 HA ALA 75 -5.864 3.358 0.859 595 1HB ALA 75 HB3 ALA 75 -8.514 4.015 -0.452 596 2HB ALA 75 HB2 ALA 75 -8.258 4.016 1.293 597 3HB ALA 75 HB1 ALA 75 -7.373 5.149 0.269 598 H PHE 76 HN PHE 76 -7.961 1.559 -1.363 599 HA PHE 76 HA PHE 76 -9.129 -0.209 0.527 600 1HB PHE 76 HB2 PHE 76 -9.892 -0.018 -1.812 601 2HB PHE 76 HB1 PHE 76 -8.384 -0.738 -2.366 602 HD1 PHE 76 HD2 PHE 76 -11.584 -1.366 -0.645 603 HD2 PHE 76 HD1 PHE 76 -7.912 -3.102 -2.041 604 HE1 PHE 76 HE2 PHE 76 -12.535 -3.634 -0.332 605 HE2 PHE 76 HE1 PHE 76 -8.863 -5.369 -1.726 606 HZ PHE 76 HZ PHE 76 -11.176 -5.636 -0.874 607 H VAL 77 HN VAL 77 -6.089 -0.537 -1.333 608 HA VAL 77 HA VAL 77 -5.425 -3.145 -0.398 609 HB VAL 77 HB VAL 77 -3.663 -0.818 -1.224 610 1HG1 VAL 77 HG11 VAL 77 -2.977 -3.691 -0.561 611 2HG1 VAL 77 HG13 VAL 77 -1.936 -2.669 -1.553 612 3HG1 VAL 77 HG12 VAL 77 -2.270 -2.225 0.121 613 1HG2 VAL 77 HG23 VAL 77 -4.603 -3.331 -2.641 614 2HG2 VAL 77 HG22 VAL 77 -5.104 -1.678 -3.000 615 3HG2 VAL 77 HG21 VAL 77 -3.440 -2.182 -3.302 616 H SER 78 HN SER 78 -4.674 0.073 0.919 617 HA SER 78 HA SER 78 -3.082 -0.779 3.109 618 1HB SER 78 HB2 SER 78 -4.938 1.609 2.920 619 2HB SER 78 HB1 SER 78 -3.673 1.399 4.128 620 HG SER 78 HG SER 78 -2.686 0.967 1.672 621 H MET 79 HN MET 79 -6.613 -0.407 2.838 622 HA MET 79 HA MET 79 -7.171 -0.902 5.601 623 1HB MET 79 HB2 MET 79 -8.838 -1.328 3.110 624 2HB MET 79 HB1 MET 79 -9.462 -1.558 4.743 625 1HG MET 79 HG2 MET 79 -8.865 0.778 5.296 626 2HG MET 79 HG1 MET 79 -8.262 1.004 3.655 627 1HE MET 79 HE2 MET 79 -10.945 -0.058 5.897 628 2HE MET 79 HE1 MET 79 -12.461 0.558 5.247 629 3HE MET 79 HE3 MET 79 -11.814 -0.987 4.681 630 H VAL 80 HN VAL 80 -6.853 -3.088 2.816 631 HA VAL 80 HA VAL 80 -7.622 -5.454 4.276 632 HB VAL 80 HB VAL 80 -5.960 -5.111 1.762 633 1HG1 VAL 80 HG13 VAL 80 -7.148 -7.577 3.064 634 2HG1 VAL 80 HG12 VAL 80 -6.585 -7.531 1.392 635 3HG1 VAL 80 HG11 VAL 80 -5.446 -7.274 2.712 636 1HG2 VAL 80 HG23 VAL 80 -8.374 -4.327 1.763 637 2HG2 VAL 80 HG22 VAL 80 -8.008 -5.592 0.590 638 3HG2 VAL 80 HG21 VAL 80 -8.839 -5.996 2.091 639 H THR 81 HN THR 81 -4.477 -3.940 3.544 640 HA THR 81 HA THR 81 -2.873 -6.002 4.723 641 HB THR 81 HB THR 81 -2.287 -3.038 4.461 642 HG1 THR 81 HG1 THR 81 -1.907 -3.480 2.456 643 1HG2 THR 81 HG23 THR 81 -0.529 -5.447 4.986 644 2HG2 THR 81 HG22 THR 81 0.099 -3.874 4.490 645 3HG2 THR 81 HG21 THR 81 -0.752 -4.039 6.026 646 H THR 82 HN THR 82 -4.267 -3.014 6.062 647 HA THR 82 HA THR 82 -3.128 -3.400 8.691 648 HB THR 82 HB THR 82 -4.869 -1.696 9.366 649 HG1 THR 82 HG1 THR 82 -6.319 -1.070 7.944 650 1HG2 THR 82 HG22 THR 82 -3.170 -1.105 6.929 651 2HG2 THR 82 HG21 THR 82 -3.872 0.119 7.987 652 3HG2 THR 82 HG23 THR 82 -2.654 -0.993 8.612 653 H ALA 83 HN ALA 83 -6.208 -4.252 7.170 654 HA ALA 83 HA ALA 83 -7.459 -5.234 9.567 655 1HB ALA 83 HB3 ALA 83 -7.965 -5.856 6.645 656 2HB ALA 83 HB2 ALA 83 -9.004 -6.392 7.965 657 3HB ALA 83 HB1 ALA 83 -8.812 -4.669 7.638 658 H CYS 84 HN CYS 84 -5.508 -6.819 7.036 659 HA CYS 84 HA CYS 84 -5.883 -9.490 7.977 660 1HB CYS 84 HB2 CYS 84 -4.036 -10.094 6.604 661 2HB CYS 84 HB1 CYS 84 -4.800 -8.740 5.774 662 HG CYS 84 HG CYS 84 -2.812 -7.295 6.248 663 H HIS 85 HN HIS 85 -4.542 -10.777 9.367 664 HA HIS 85 HA HIS 85 -3.509 -9.332 11.655 665 1HB HIS 85 HB2 HIS 85 -3.027 -12.253 11.039 666 2HB HIS 85 HB1 HIS 85 -3.097 -11.474 12.619 667 HD1 HIS 85 HD1 HIS 85 -5.682 -9.837 12.320 668 HD2 HIS 85 HD2 HIS 85 -5.330 -13.810 11.097 669 HE1 HIS 85 HE1 HIS 85 -8.035 -10.778 12.253 670 HE2 HIS 85 HE2 HIS 85 -7.831 -13.196 11.511 671 H GLU 86 HN GLU 86 -1.319 -9.209 12.350 672 HA GLU 86 HA GLU 86 0.616 -8.832 10.255 673 1HB GLU 86 HB2 GLU 86 0.923 -9.045 13.263 674 2HB GLU 86 HB1 GLU 86 2.237 -8.610 12.171 675 1HG GLU 86 HG2 GLU 86 0.931 -6.678 11.364 676 2HG GLU 86 HG1 GLU 86 -0.382 -7.111 12.462 677 H PHE 87 HN PHE 87 0.061 -11.441 12.608 678 HA PHE 87 HA PHE 87 2.341 -12.977 11.507 679 1HB PHE 87 HB2 PHE 87 0.420 -13.988 13.599 680 2HB PHE 87 HB1 PHE 87 2.128 -14.372 13.382 681 HD1 PHE 87 HD2 PHE 87 3.798 -12.347 13.606 682 HD2 PHE 87 HD1 PHE 87 -0.195 -12.381 15.192 683 HE1 PHE 87 HE2 PHE 87 4.411 -10.542 15.192 684 HE2 PHE 87 HE1 PHE 87 0.421 -10.577 16.778 685 HZ PHE 87 HZ PHE 87 2.723 -9.658 16.778 686 H PHE 88 HN PHE 88 1.742 -13.783 9.487 687 HA PHE 88 HA PHE 88 -0.890 -15.118 9.178 688 1HB PHE 88 HB2 PHE 88 0.281 -13.608 7.407 689 2HB PHE 88 HB1 PHE 88 1.290 -15.009 7.085 690 HD1 PHE 88 HD1 PHE 88 0.213 -17.175 6.364 691 HD2 PHE 88 HD2 PHE 88 -1.976 -13.494 6.636 692 HE1 PHE 88 HE1 PHE 88 -1.576 -18.138 4.944 693 HE2 PHE 88 HE2 PHE 88 -3.767 -14.455 5.215 694 HZ PHE 88 HZ PHE 88 -3.567 -16.777 4.368 695 H GLU 89 HN GLU 89 2.271 -16.197 7.935 696 HA GLU 89 HA GLU 89 1.840 -18.854 9.277 697 1HB GLU 89 HB2 GLU 89 1.787 -18.836 6.732 698 2HB GLU 89 HB1 GLU 89 3.471 -18.318 6.774 699 1HG GLU 89 HG2 GLU 89 4.060 -20.340 8.060 700 2HG GLU 89 HG1 GLU 89 2.375 -20.859 8.013 701 H HIS 90 HN HIS 90 4.614 -17.254 7.724 702 HA HIS 90 HA HIS 90 6.802 -16.914 8.497 703 1HB HIS 90 HB2 HIS 90 5.268 -16.353 11.046 704 2HB HIS 90 HB1 HIS 90 6.925 -15.848 10.712 705 HD1 HIS 90 HD1 HIS 90 3.566 -15.557 8.894 706 HD2 HIS 90 HD2 HIS 90 6.960 -13.277 9.715 707 HE1 HIS 90 HE1 HIS 90 3.172 -13.282 7.847 708 HE2 HIS 90 HE2 HIS 90 5.231 -11.887 8.343 709 H GLU 91 HN GLU 91 6.377 -19.600 8.416 710 HA GLU 91 HA GLU 91 7.460 -21.535 9.210 711 1HB GLU 91 HB2 GLU 91 8.991 -19.609 10.306 712 2HB GLU 91 HB1 GLU 91 8.282 -20.236 11.790 713 1HG GLU 91 HG2 GLU 91 9.754 -21.885 9.709 714 2HG GLU 91 HG1 GLU 91 10.408 -21.373 11.263 715 1H MET 0 HT3 MET 0 -2.192 -16.019 -6.811 716 2H MET 0 HT2 MET 0 -2.057 -17.306 -5.710 717 3H MET 0 HT1 MET 0 -1.345 -15.804 -5.357 718 HA MET 0 HA MET 0 0.451 -17.083 -6.041 719 1HB MET 0 HB2 MET 0 0.296 -18.466 -8.139 720 2HB MET 0 HB1 MET 0 -0.778 -19.012 -6.850 721 1HG MET 0 HG2 MET 0 -2.648 -17.775 -7.878 722 2HG MET 0 HG1 MET 0 -1.577 -17.229 -9.168 723 1HE MET 0 HE3 MET 0 -3.393 -17.936 -10.569 724 2HE MET 0 HE2 MET 0 -3.654 -19.561 -11.199 725 3HE MET 0 HE1 MET 0 -4.420 -19.075 -9.688 726 H SER 1 HN SER 1 -1.493 -14.755 -7.435 727 HA SER 1 HA SER 1 0.250 -14.128 -9.715 728 1HB SER 1 HB2 SER 1 -2.203 -13.685 -9.782 729 2HB SER 1 HB1 SER 1 -2.001 -12.508 -8.487 730 HG SER 1 HG SER 1 -1.766 -11.262 -10.214 731 H GLU 2 HN GLU 2 1.089 -11.801 -9.841 732 HA GLU 2 HA GLU 2 2.984 -11.337 -7.772 733 1HB GLU 2 HB2 GLU 2 1.882 -9.508 -9.924 734 2HB GLU 2 HB1 GLU 2 3.234 -9.074 -8.879 735 1HG GLU 2 HG2 GLU 2 3.186 -11.582 -10.576 736 2HG GLU 2 HG1 GLU 2 3.905 -10.063 -11.112 737 H LEU 3 HN LEU 3 -0.252 -10.019 -8.327 738 HA LEU 3 HA LEU 3 -0.202 -7.940 -6.397 739 1HB LEU 3 HB2 LEU 3 -2.006 -8.660 -8.192 740 2HB LEU 3 HB1 LEU 3 -2.675 -9.600 -6.868 741 HG LEU 3 HG LEU 3 -3.804 -7.476 -6.893 742 1HD1 LEU 3 HD11 LEU 3 -2.975 -8.451 -4.669 743 2HD1 LEU 3 HD13 LEU 3 -1.761 -7.172 -4.701 744 3HD1 LEU 3 HD12 LEU 3 -3.473 -6.760 -4.671 745 1HD2 LEU 3 HD22 LEU 3 -1.712 -6.370 -8.104 746 2HD2 LEU 3 HD21 LEU 3 -2.812 -5.392 -7.140 747 3HD2 LEU 3 HD23 LEU 3 -1.272 -5.910 -6.460 748 H GLU 4 HN GLU 4 -1.212 -11.365 -6.029 749 HA GLU 4 HA GLU 4 -1.861 -11.198 -3.258 750 1HB GLU 4 HB2 GLU 4 -0.838 -13.508 -4.935 751 2HB GLU 4 HB1 GLU 4 -1.379 -13.686 -3.266 752 1HG GLU 4 HG2 GLU 4 -3.126 -12.418 -5.382 753 2HG GLU 4 HG1 GLU 4 -3.122 -14.158 -5.092 754 H LYS 5 HN LYS 5 1.203 -11.940 -4.896 755 HA LYS 5 HA LYS 5 2.703 -12.443 -2.490 756 1HB LYS 5 HB2 LYS 5 3.538 -11.698 -5.299 757 2HB LYS 5 HB1 LYS 5 4.694 -12.053 -4.015 758 1HG LYS 5 HG2 LYS 5 3.727 -14.284 -3.721 759 2HG LYS 5 HG1 LYS 5 2.508 -13.938 -4.951 760 1HD LYS 5 HD2 LYS 5 4.208 -13.737 -6.665 761 2HD LYS 5 HD1 LYS 5 5.495 -13.871 -5.466 762 1HE LYS 5 HE2 LYS 5 5.059 -16.013 -6.700 763 2HE LYS 5 HE1 LYS 5 4.854 -16.156 -4.953 764 1HZ LYS 5 HZ1 LYS 5 2.442 -15.721 -5.338 765 2HZ LYS 5 HZ3 LYS 5 2.729 -15.873 -7.003 766 3HZ LYS 5 HZ2 LYS 5 3.004 -17.194 -5.970 767 H ALA 6 HN ALA 6 2.144 -9.520 -4.419 768 HA ALA 6 HA ALA 6 4.070 -7.853 -3.165 769 1HB ALA 6 HB1 ALA 6 1.368 -7.225 -4.383 770 2HB ALA 6 HB3 ALA 6 2.483 -5.978 -3.826 771 3HB ALA 6 HB2 ALA 6 2.952 -7.056 -5.140 772 H MET 7 HN MET 7 0.737 -8.654 -2.238 773 HA MET 7 HA MET 7 0.496 -6.839 -0.056 774 1HB MET 7 HB2 MET 7 -1.297 -8.348 -1.116 775 2HB MET 7 HB1 MET 7 -0.648 -9.644 -0.118 776 1HG MET 7 HG2 MET 7 -2.392 -8.766 1.199 777 2HG MET 7 HG1 MET 7 -0.953 -7.992 1.860 778 1HE MET 7 HE1 MET 7 -4.271 -7.752 0.244 779 2HE MET 7 HE3 MET 7 -4.382 -6.170 -0.538 780 3HE MET 7 HE2 MET 7 -3.416 -7.448 -1.265 781 H VAL 8 HN VAL 8 1.726 -10.179 -0.200 782 HA VAL 8 HA VAL 8 2.369 -10.347 2.609 783 HB VAL 8 HB VAL 8 3.339 -11.915 0.204 784 1HG1 VAL 8 HG11 VAL 8 3.855 -12.294 3.163 785 2HG1 VAL 8 HG13 VAL 8 4.030 -13.599 1.990 786 3HG1 VAL 8 HG12 VAL 8 5.046 -12.163 1.869 787 1HG2 VAL 8 HG23 VAL 8 0.937 -12.128 0.756 788 2HG2 VAL 8 HG22 VAL 8 1.802 -13.630 1.083 789 3HG2 VAL 8 HG21 VAL 8 1.359 -12.559 2.413 790 H ALA 9 HN ALA 9 4.238 -9.474 -0.281 791 HA ALA 9 HA ALA 9 6.825 -9.427 0.711 792 1HB ALA 9 HB3 ALA 9 5.983 -8.766 -1.621 793 2HB ALA 9 HB2 ALA 9 5.734 -7.154 -0.952 794 3HB ALA 9 HB1 ALA 9 7.353 -7.853 -0.989 795 H LEU 10 HN LEU 10 4.486 -6.719 0.992 796 HA LEU 10 HA LEU 10 6.223 -5.037 2.496 797 1HB LEU 10 HB2 LEU 10 3.222 -5.232 2.258 798 2HB LEU 10 HB1 LEU 10 3.941 -4.112 3.413 799 HG LEU 10 HG LEU 10 5.316 -3.181 1.483 800 1HD1 LEU 10 HD12 LEU 10 3.365 -4.903 -0.071 801 2HD1 LEU 10 HD11 LEU 10 4.323 -3.608 -0.787 802 3HD1 LEU 10 HD13 LEU 10 5.124 -5.016 -0.092 803 1HD2 LEU 10 HD23 LEU 10 2.292 -3.020 1.483 804 2HD2 LEU 10 HD22 LEU 10 3.428 -1.930 2.280 805 3HD2 LEU 10 HD21 LEU 10 3.313 -1.952 0.520 806 H ILE 11 HN ILE 11 3.876 -7.491 3.592 807 HA ILE 11 HA ILE 11 4.328 -6.983 6.393 808 HB ILE 11 HB ILE 11 3.256 -9.449 4.992 809 1HG1 ILE 11 HG12 ILE 11 1.785 -7.228 6.441 810 2HG1 ILE 11 HG11 ILE 11 2.019 -7.247 4.694 811 1HG2 ILE 11 HG21 ILE 11 3.339 -8.609 7.902 812 2HG2 ILE 11 HG23 ILE 11 2.226 -9.835 7.294 813 3HG2 ILE 11 HG22 ILE 11 3.967 -10.096 7.193 814 1HD1 ILE 11 HD13 ILE 11 0.811 -9.630 6.096 815 2HD1 ILE 11 HD12 ILE 11 -0.186 -8.244 5.659 816 3HD1 ILE 11 HD11 ILE 11 0.665 -9.146 4.406 817 H ASP 12 HN ASP 12 5.752 -9.321 4.110 818 HA ASP 12 HA ASP 12 7.230 -10.783 6.075 819 1HB ASP 12 HB2 ASP 12 6.808 -11.494 3.690 820 2HB ASP 12 HB1 ASP 12 8.038 -10.331 3.195 821 H VAL 13 HN VAL 13 8.273 -8.106 3.934 822 HA VAL 13 HA VAL 13 10.919 -7.975 5.039 823 HB VAL 13 HB VAL 13 9.260 -5.933 3.535 824 1HG1 VAL 13 HG11 VAL 13 12.139 -5.859 4.466 825 2HG1 VAL 13 HG13 VAL 13 11.548 -4.867 3.134 826 3HG1 VAL 13 HG12 VAL 13 10.880 -4.657 4.752 827 1HG2 VAL 13 HG21 VAL 13 11.496 -7.830 2.757 828 2HG2 VAL 13 HG23 VAL 13 9.819 -7.892 2.215 829 3HG2 VAL 13 HG22 VAL 13 10.864 -6.567 1.701 830 H PHE 14 HN PHE 14 7.981 -6.039 5.712 831 HA PHE 14 HA PHE 14 9.170 -4.318 7.634 832 1HB PHE 14 HB2 PHE 14 6.910 -3.961 6.674 833 2HB PHE 14 HB1 PHE 14 6.318 -5.345 7.598 834 HD1 PHE 14 HD2 PHE 14 6.131 -5.252 10.043 835 HD2 PHE 14 HD1 PHE 14 7.533 -1.881 7.781 836 HE1 PHE 14 HE2 PHE 14 5.836 -3.793 12.030 837 HE2 PHE 14 HE1 PHE 14 7.238 -0.429 9.762 838 HZ PHE 14 HZ PHE 14 6.392 -1.378 11.890 839 H HIS 15 HN HIS 15 7.406 -7.390 8.150 840 HA HIS 15 HA HIS 15 7.671 -7.444 10.974 841 1HB HIS 15 HB2 HIS 15 6.180 -8.963 9.738 842 2HB HIS 15 HB1 HIS 15 7.579 -9.778 9.040 843 HD1 HIS 15 HD1 HIS 15 6.117 -9.022 12.485 844 HD2 HIS 15 HD2 HIS 15 8.567 -11.835 10.618 845 HE1 HIS 15 HE1 HIS 15 6.615 -10.804 14.218 846 HE2 HIS 15 HE2 HIS 15 8.106 -12.520 13.091 847 H GLN 16 HN GLN 16 9.788 -8.923 8.493 848 HA GLN 16 HA GLN 16 11.610 -10.058 10.375 849 1HB GLN 16 HB2 GLN 16 11.949 -9.230 7.489 850 2HB GLN 16 HB1 GLN 16 13.196 -10.079 8.403 851 1HG GLN 16 HG2 GLN 16 11.619 -11.920 8.855 852 2HG GLN 16 HG1 GLN 16 10.368 -11.072 7.946 853 1HE2 GLN 16 HE22 GLN 16 11.756 -11.873 4.764 854 2HE2 GLN 16 HE21 GLN 16 10.685 -10.847 5.589 855 H TYR 17 HN TYR 17 11.979 -7.043 8.449 856 HA TYR 17 HA TYR 17 14.417 -6.314 9.798 857 1HB TYR 17 HB2 TYR 17 13.787 -5.449 7.564 858 2HB TYR 17 HB1 TYR 17 12.478 -4.528 8.305 859 HD1 TYR 17 HD1 TYR 17 12.940 -2.591 9.731 860 HD2 TYR 17 HD2 TYR 17 16.125 -4.831 7.917 861 HE1 TYR 17 HE1 TYR 17 14.529 -0.761 10.259 862 HE2 TYR 17 HE2 TYR 17 17.713 -3.001 8.446 863 HH TYR 17 HH TYR 17 17.132 -0.638 10.633 864 H SER 18 HN SER 18 11.031 -5.332 10.306 865 HA SER 18 HA SER 18 11.578 -3.324 12.258 866 1HB SER 18 HB2 SER 18 9.397 -3.637 11.075 867 2HB SER 18 HB1 SER 18 9.107 -5.061 12.072 868 HG SER 18 HG SER 18 8.167 -3.383 13.130 869 H GLY 19 HN GLY 19 10.960 -6.818 12.656 870 1HA GLY 19 HA2 GLY 19 10.854 -6.701 15.532 871 2HA GLY 19 HA1 GLY 19 11.104 -8.159 14.579 872 H ARG 20 HN ARG 20 13.497 -6.486 13.362 873 HA ARG 20 HA ARG 20 15.527 -7.756 14.922 874 1HB ARG 20 HB2 ARG 20 15.645 -5.461 12.947 875 2HB ARG 20 HB1 ARG 20 17.083 -6.183 13.663 876 1HG ARG 20 HG2 ARG 20 15.054 -7.970 12.343 877 2HG ARG 20 HG1 ARG 20 16.173 -7.062 11.334 878 1HD ARG 20 HD2 ARG 20 18.067 -8.132 12.298 879 2HD ARG 20 HD1 ARG 20 17.128 -8.775 13.641 880 HE ARG 20 HE ARG 20 15.942 -9.871 11.376 881 1HH1 ARG 20 HH21 ARG 20 19.083 -9.701 12.773 882 2HH1 ARG 20 HH22 ARG 20 19.606 -11.216 12.113 883 1HH2 ARG 20 HH11 ARG 20 16.597 -11.847 10.504 884 2HH2 ARG 20 HH12 ARG 20 18.196 -12.432 10.824 885 H GLU 21 HN GLU 21 14.241 -4.448 14.977 886 HA GLU 21 HA GLU 21 15.875 -3.908 17.440 887 1HB GLU 21 HB2 GLU 21 14.688 -2.035 15.375 888 2HB GLU 21 HB1 GLU 21 15.461 -1.499 16.867 889 1HG GLU 21 HG2 GLU 21 16.835 -3.286 14.844 890 2HG GLU 21 HG1 GLU 21 16.978 -1.528 14.829 891 H GLY 22 HN GLY 22 14.757 -3.661 19.314 892 1HA GLY 22 HA2 GLY 22 12.976 -2.986 20.736 893 2HA GLY 22 HA1 GLY 22 12.014 -2.602 19.309 894 H ASP 23 HN ASP 23 12.970 -5.479 18.411 895 HA ASP 23 HA ASP 23 11.863 -7.548 18.304 896 1HB ASP 23 HB2 ASP 23 13.072 -7.600 20.565 897 2HB ASP 23 HB1 ASP 23 11.509 -7.219 21.288 898 H LYS 24 HN LYS 24 10.171 -5.308 17.802 899 HA LYS 24 HA LYS 24 7.592 -6.554 18.356 900 1HB LYS 24 HB2 LYS 24 8.186 -5.112 20.420 901 2HB LYS 24 HB1 LYS 24 7.935 -3.722 19.364 902 1HG LYS 24 HG2 LYS 24 5.652 -4.556 18.838 903 2HG LYS 24 HG1 LYS 24 5.909 -5.911 19.934 904 1HD LYS 24 HD2 LYS 24 6.012 -2.989 20.744 905 2HD LYS 24 HD1 LYS 24 4.633 -4.055 20.997 906 1HE LYS 24 HE2 LYS 24 6.411 -5.597 22.198 907 2HE LYS 24 HE1 LYS 24 7.321 -4.091 22.339 908 1HZ LYS 24 HZ1 LYS 24 4.643 -3.604 23.012 909 2HZ LYS 24 HZ3 LYS 24 5.172 -4.953 23.891 910 3HZ LYS 24 HZ2 LYS 24 6.019 -3.484 24.000 911 H HIS 25 HN HIS 25 6.838 -3.398 17.985 912 HA HIS 25 HA HIS 25 7.429 -3.227 15.086 913 1HB HIS 25 HB2 HIS 25 4.610 -3.192 16.213 914 2HB HIS 25 HB1 HIS 25 5.052 -2.879 14.533 915 HD1 HIS 25 HD1 HIS 25 6.522 -4.951 13.414 916 HD2 HIS 25 HD2 HIS 25 4.100 -5.873 16.683 917 HE1 HIS 25 HE1 HIS 25 6.206 -7.464 13.386 918 HE2 HIS 25 HE2 HIS 25 4.729 -8.037 15.367 919 H LYS 26 HN LYS 26 8.729 -1.469 16.147 920 HA LYS 26 HA LYS 26 7.120 1.029 16.189 921 1HB LYS 26 HB2 LYS 26 8.230 1.822 18.237 922 2HB LYS 26 HB1 LYS 26 7.317 0.351 18.552 923 1HG LYS 26 HG2 LYS 26 9.257 -0.396 19.527 924 2HG LYS 26 HG1 LYS 26 9.778 -0.706 17.874 925 1HD LYS 26 HD2 LYS 26 10.725 1.639 17.825 926 2HD LYS 26 HD1 LYS 26 10.350 1.761 19.543 927 1HE LYS 26 HE2 LYS 26 11.755 -0.235 19.976 928 2HE LYS 26 HE1 LYS 26 12.162 -0.303 18.260 929 1HZ LYS 26 HZ2 LYS 26 13.003 2.014 18.497 930 2HZ LYS 26 HZ1 LYS 26 12.804 1.866 20.178 931 3HZ LYS 26 HZ3 LYS 26 13.895 0.855 19.362 932 H LEU 27 HN LEU 27 8.310 2.845 15.527 933 HA LEU 27 HA LEU 27 11.149 2.364 14.668 934 1HB LEU 27 HB2 LEU 27 9.013 3.908 13.162 935 2HB LEU 27 HB1 LEU 27 10.681 3.682 12.648 936 HG LEU 27 HG LEU 27 8.783 1.373 13.147 937 1HD1 LEU 27 HD13 LEU 27 7.942 2.880 11.345 938 2HD1 LEU 27 HD12 LEU 27 9.480 2.688 10.505 939 3HD1 LEU 27 HD11 LEU 27 8.423 1.299 10.737 940 1HD2 LEU 27 HD21 LEU 27 11.501 1.669 11.838 941 2HD2 LEU 27 HD23 LEU 27 11.044 0.605 13.168 942 3HD2 LEU 27 HD22 LEU 27 10.468 0.272 11.538 943 H LYS 28 HN LYS 28 12.492 3.891 15.524 944 HA LYS 28 HA LYS 28 11.262 6.347 16.704 945 1HB LYS 28 HB2 LYS 28 13.593 6.555 17.768 946 2HB LYS 28 HB1 LYS 28 12.577 5.229 18.334 947 1HG LYS 28 HG2 LYS 28 13.775 3.619 17.077 948 2HG LYS 28 HG1 LYS 28 14.544 4.851 16.079 949 1HD LYS 28 HD2 LYS 28 16.133 3.974 17.744 950 2HD LYS 28 HD1 LYS 28 15.788 5.676 18.048 951 1HE LYS 28 HE2 LYS 28 14.193 3.510 19.417 952 2HE LYS 28 HE1 LYS 28 15.740 4.047 20.070 953 1HZ LYS 28 HZ3 LYS 28 14.413 6.358 19.483 954 2HZ LYS 28 HZ2 LYS 28 13.201 5.352 20.121 955 3HZ LYS 28 HZ1 LYS 28 14.603 5.678 21.025 956 H LYS 29 HN LYS 29 13.155 8.191 16.640 957 HA LYS 29 HA LYS 29 13.170 9.147 13.968 958 1HB LYS 29 HB2 LYS 29 15.005 9.871 16.271 959 2HB LYS 29 HB1 LYS 29 14.811 10.813 14.799 960 1HG LYS 29 HG2 LYS 29 13.119 11.924 15.863 961 2HG LYS 29 HG1 LYS 29 12.162 10.461 15.671 962 1HD LYS 29 HD2 LYS 29 12.030 10.867 17.981 963 2HD LYS 29 HD1 LYS 29 13.331 9.683 17.877 964 1HE LYS 29 HE2 LYS 29 14.972 11.595 17.842 965 2HE LYS 29 HE1 LYS 29 13.622 12.688 18.145 966 1HZ LYS 29 HZ2 LYS 29 13.124 11.330 20.148 967 2HZ LYS 29 HZ1 LYS 29 14.577 10.489 19.891 968 3HZ LYS 29 HZ3 LYS 29 14.608 12.152 20.222 969 H SER 30 HN SER 30 15.861 7.698 15.844 970 HA SER 30 HA SER 30 17.779 7.822 13.737 971 1HB SER 30 HB2 SER 30 17.561 5.884 16.053 972 2HB SER 30 HB1 SER 30 18.984 6.071 15.032 973 HG SER 30 HG SER 30 18.045 7.640 17.069 974 H GLU 31 HN GLU 31 15.552 5.216 14.678 975 HA GLU 31 HA GLU 31 16.484 3.306 12.772 976 1HB GLU 31 HB2 GLU 31 15.019 2.799 14.746 977 2HB GLU 31 HB1 GLU 31 13.676 3.548 13.880 978 1HG GLU 31 HG2 GLU 31 13.822 1.923 12.099 979 2HG GLU 31 HG1 GLU 31 15.312 1.254 12.767 980 H LEU 32 HN LEU 32 13.949 5.793 12.557 981 HA LEU 32 HA LEU 32 12.875 4.988 10.058 982 1HB LEU 32 HB2 LEU 32 11.823 6.687 11.514 983 2HB LEU 32 HB1 LEU 32 13.157 7.790 11.190 984 HG LEU 32 HG LEU 32 12.572 7.755 8.769 985 1HD1 LEU 32 HD11 LEU 32 10.492 5.821 9.786 986 2HD1 LEU 32 HD13 LEU 32 10.124 6.830 8.386 987 3HD1 LEU 32 HD12 LEU 32 11.491 5.722 8.336 988 1HD2 LEU 32 HD22 LEU 32 10.447 8.529 10.781 989 2HD2 LEU 32 HD21 LEU 32 11.663 9.568 10.038 990 3HD2 LEU 32 HD23 LEU 32 10.324 8.945 9.072 991 H LYS 33 HN LYS 33 15.484 7.349 10.748 992 HA LYS 33 HA LYS 33 16.077 7.954 8.030 993 1HB LYS 33 HB2 LYS 33 17.815 7.961 10.509 994 2HB LYS 33 HB1 LYS 33 18.353 8.575 8.946 995 1HG LYS 33 HG2 LYS 33 16.625 10.246 8.918 996 2HG LYS 33 HG1 LYS 33 15.838 9.535 10.327 997 1HD LYS 33 HD2 LYS 33 17.130 11.510 10.997 998 2HD LYS 33 HD1 LYS 33 17.843 10.054 11.691 999 1HE LYS 33 HE2 LYS 33 18.832 11.070 9.034 1000 2HE LYS 33 HE1 LYS 33 19.405 11.811 10.528 1001 1HZ LYS 33 HZ1 LYS 33 19.435 8.989 10.746 1002 2HZ LYS 33 HZ3 LYS 33 20.307 9.473 9.373 1003 3HZ LYS 33 HZ2 LYS 33 20.720 10.090 10.901 1004 H GLU 34 HN GLU 34 17.305 5.394 10.173 1005 HA GLU 34 HA GLU 34 19.266 4.375 8.345 1006 1HB GLU 34 HB2 GLU 34 17.762 3.085 10.637 1007 2HB GLU 34 HB1 GLU 34 19.053 2.274 9.749 1008 1HG GLU 34 HG2 GLU 34 19.398 4.974 11.078 1009 2HG GLU 34 HG1 GLU 34 19.805 3.449 11.867 1010 H LEU 35 HN LEU 35 15.835 3.574 8.850 1011 HA LEU 35 HA LEU 35 15.742 1.329 7.098 1012 1HB LEU 35 HB2 LEU 35 13.938 2.345 8.736 1013 2HB LEU 35 HB1 LEU 35 13.431 3.258 7.317 1014 HG LEU 35 HG LEU 35 13.673 0.235 7.463 1015 1HD1 LEU 35 HD13 LEU 35 11.299 2.110 7.573 1016 2HD1 LEU 35 HD12 LEU 35 11.151 0.386 7.233 1017 3HD1 LEU 35 HD11 LEU 35 11.794 0.926 8.783 1018 1HD2 LEU 35 HD21 LEU 35 13.008 2.174 5.254 1019 2HD2 LEU 35 HD23 LEU 35 13.984 0.705 5.200 1020 3HD2 LEU 35 HD22 LEU 35 12.230 0.590 5.269 1021 H ILE 36 HN ILE 36 15.183 4.798 6.467 1022 HA ILE 36 HA ILE 36 14.569 4.568 3.701 1023 HB ILE 36 HB ILE 36 15.881 6.798 5.280 1024 1HG1 ILE 36 HG12 ILE 36 13.076 6.592 4.156 1025 2HG1 ILE 36 HG11 ILE 36 13.491 6.057 5.784 1026 1HG2 ILE 36 HG21 ILE 36 14.940 6.686 2.407 1027 2HG2 ILE 36 HG23 ILE 36 15.080 8.206 3.290 1028 3HG2 ILE 36 HG22 ILE 36 16.510 7.210 3.014 1029 1HD1 ILE 36 HD11 ILE 36 14.048 8.846 4.740 1030 2HD1 ILE 36 HD13 ILE 36 12.617 8.418 5.680 1031 3HD1 ILE 36 HD12 ILE 36 14.222 8.278 6.401 1032 H ASN 37 HN ASN 37 17.692 4.960 5.355 1033 HA ASN 37 HA ASN 37 19.238 5.075 2.917 1034 1HB ASN 37 HB2 ASN 37 20.024 4.429 5.769 1035 2HB ASN 37 HB1 ASN 37 21.172 4.665 4.451 1036 1HD2 ASN 37 HD22 ASN 37 20.030 7.892 6.383 1037 2HD2 ASN 37 HD21 ASN 37 20.083 6.316 7.011 1038 H ASN 38 HN ASN 38 17.757 2.497 4.625 1039 HA ASN 38 HA ASN 38 19.594 0.387 4.156 1040 1HB ASN 38 HB2 ASN 38 17.453 0.366 5.559 1041 2HB ASN 38 HB1 ASN 38 16.592 0.066 4.052 1042 1HD2 ASN 38 HD21 ASN 38 16.420 -1.947 5.918 1043 2HD2 ASN 38 HD22 ASN 38 17.402 -3.263 5.490 1044 H GLU 39 HN GLU 39 16.840 1.426 2.058 1045 HA GLU 39 HA GLU 39 18.410 0.593 -0.285 1046 1HB GLU 39 HB2 GLU 39 16.320 -0.787 -1.099 1047 2HB GLU 39 HB1 GLU 39 17.510 -1.547 -0.053 1048 1HG GLU 39 HG2 GLU 39 15.181 -0.120 1.215 1049 2HG GLU 39 HG1 GLU 39 14.912 -1.707 0.505 1050 H LEU 40 HN LEU 40 15.879 2.383 1.168 1051 HA LEU 40 HA LEU 40 14.706 3.247 -1.397 1052 1HB LEU 40 HB2 LEU 40 14.190 3.846 1.510 1053 2HB LEU 40 HB1 LEU 40 13.566 4.952 0.288 1054 HG LEU 40 HG LEU 40 12.461 3.005 -0.839 1055 1HD1 LEU 40 HD13 LEU 40 13.603 1.579 1.567 1056 2HD1 LEU 40 HD12 LEU 40 12.209 0.951 0.688 1057 3HD1 LEU 40 HD11 LEU 40 13.757 1.145 -0.134 1058 1HD2 LEU 40 HD22 LEU 40 11.764 3.464 2.079 1059 2HD2 LEU 40 HD21 LEU 40 11.190 4.417 0.712 1060 3HD2 LEU 40 HD23 LEU 40 10.687 2.735 0.886 1061 H SER 41 HN SER 41 17.592 3.819 -0.112 1062 HA SER 41 HA SER 41 17.855 6.648 0.056 1063 1HB SER 41 HB2 SER 41 20.193 6.286 -0.104 1064 2HB SER 41 HB1 SER 41 19.578 4.805 0.625 1065 HG SER 41 HG SER 41 20.314 3.786 -1.047 1066 H HIS 42 HN HIS 42 18.026 4.445 -2.732 1067 HA HIS 42 HA HIS 42 18.841 6.395 -4.655 1068 1HB HIS 42 HB2 HIS 42 18.782 3.862 -4.939 1069 2HB HIS 42 HB1 HIS 42 17.048 4.021 -5.210 1070 HD1 HIS 42 HD1 HIS 42 16.526 6.048 -7.132 1071 HD2 HIS 42 HD2 HIS 42 20.160 4.006 -7.317 1072 HE1 HIS 42 HE1 HIS 42 17.420 6.383 -9.480 1073 HE2 HIS 42 HE2 HIS 42 19.631 5.147 -9.602 1074 H PHE 43 HN PHE 43 15.595 5.346 -3.605 1075 HA PHE 43 HA PHE 43 14.189 7.023 -5.484 1076 1HB PHE 43 HB2 PHE 43 13.476 5.471 -3.015 1077 2HB PHE 43 HB1 PHE 43 12.328 6.684 -3.577 1078 HD1 PHE 43 HD2 PHE 43 14.612 4.308 -5.385 1079 HD2 PHE 43 HD1 PHE 43 10.579 5.630 -4.715 1080 HE1 PHE 43 HE2 PHE 43 13.805 2.738 -7.128 1081 HE2 PHE 43 HE1 PHE 43 9.774 4.063 -6.457 1082 HZ PHE 43 HZ PHE 43 11.387 2.616 -7.663 1083 H LEU 44 HN LEU 44 15.011 7.454 -2.030 1084 HA LEU 44 HA LEU 44 14.365 10.376 -2.334 1085 1HB LEU 44 HB2 LEU 44 14.376 8.705 0.196 1086 2HB LEU 44 HB1 LEU 44 13.862 10.386 0.045 1087 HG LEU 44 HG LEU 44 12.563 8.011 -1.330 1088 1HD1 LEU 44 HD12 LEU 44 12.238 8.311 1.195 1089 2HD1 LEU 44 HD11 LEU 44 11.393 9.808 0.801 1090 3HD1 LEU 44 HD13 LEU 44 10.769 8.266 0.218 1091 1HD2 LEU 44 HD21 LEU 44 12.137 10.995 -1.485 1092 2HD2 LEU 44 HD23 LEU 44 12.163 9.806 -2.789 1093 3HD2 LEU 44 HD22 LEU 44 10.771 9.905 -1.717 1094 H GLU 45 HN GLU 45 16.015 11.754 -2.079 1095 HA GLU 45 HA GLU 45 18.335 11.038 -0.408 1096 1HB GLU 45 HB2 GLU 45 18.618 10.237 -2.893 1097 2HB GLU 45 HB1 GLU 45 18.853 11.943 -3.248 1098 1HG GLU 45 HG2 GLU 45 20.456 10.653 -1.035 1099 2HG GLU 45 HG1 GLU 45 20.937 10.417 -2.708 1100 H GLU 46 HN GLU 46 16.039 13.153 -1.044 1101 HA GLU 46 HA GLU 46 17.566 15.623 -1.333 1102 1HB GLU 46 HB2 GLU 46 15.422 16.745 -1.022 1103 2HB GLU 46 HB1 GLU 46 15.207 15.387 -2.127 1104 1HG GLU 46 HG2 GLU 46 14.432 13.997 -0.191 1105 2HG GLU 46 HG1 GLU 46 14.521 15.431 0.829 1106 H ILE 47 HN ILE 47 16.959 13.511 1.237 1107 HA ILE 47 HA ILE 47 16.759 15.473 3.365 1108 HB ILE 47 HB ILE 47 17.619 12.565 3.446 1109 1HG1 ILE 47 HG12 ILE 47 14.939 13.804 4.136 1110 2HG1 ILE 47 HG11 ILE 47 15.292 13.084 2.565 1111 1HG2 ILE 47 HG22 ILE 47 16.883 14.570 5.588 1112 2HG2 ILE 47 HG21 ILE 47 16.876 12.829 5.870 1113 3HG2 ILE 47 HG23 ILE 47 18.379 13.649 5.443 1114 1HD1 ILE 47 HD11 ILE 47 15.624 11.609 5.190 1115 2HD1 ILE 47 HD13 ILE 47 14.168 11.517 4.198 1116 3HD1 ILE 47 HD12 ILE 47 15.705 10.929 3.564 1117 H LYS 48 HN LYS 48 18.393 16.637 4.226 1118 HA LYS 48 HA LYS 48 21.204 15.649 3.945 1119 1HB LYS 48 HB2 LYS 48 20.529 17.409 2.194 1120 2HB LYS 48 HB1 LYS 48 20.427 18.542 3.538 1121 1HG LYS 48 HG2 LYS 48 22.772 18.051 4.133 1122 2HG LYS 48 HG1 LYS 48 22.874 16.920 2.782 1123 1HD LYS 48 HD2 LYS 48 22.223 18.841 1.259 1124 2HD LYS 48 HD1 LYS 48 22.436 19.913 2.643 1125 1HE LYS 48 HE2 LYS 48 24.515 19.936 1.449 1126 2HE LYS 48 HE1 LYS 48 24.777 18.942 2.883 1127 1HZ LYS 48 HZ2 LYS 48 24.340 16.971 1.540 1128 2HZ LYS 48 HZ1 LYS 48 24.142 17.942 0.160 1129 3HZ LYS 48 HZ3 LYS 48 25.654 17.856 0.925 1130 H GLU 49 HN GLU 49 19.197 18.243 5.414 1131 HA GLU 49 HA GLU 49 20.956 18.204 7.809 1132 1HB GLU 49 HB2 GLU 49 18.706 20.021 6.916 1133 2HB GLU 49 HB1 GLU 49 19.411 20.119 8.529 1134 1HG GLU 49 HG2 GLU 49 20.582 21.724 7.199 1135 2HG GLU 49 HG1 GLU 49 21.681 20.359 7.382 1136 H GLN 50 HN GLN 50 20.154 17.730 9.899 1137 HA GLN 50 HA GLN 50 18.271 15.605 10.097 1138 1HB GLN 50 HB2 GLN 50 19.085 17.536 12.293 1139 2HB GLN 50 HB1 GLN 50 18.401 15.927 12.511 1140 1HG GLN 50 HG2 GLN 50 20.613 15.307 12.690 1141 2HG GLN 50 HG1 GLN 50 20.534 15.290 10.930 1142 1HE2 GLN 50 HE22 GLN 50 22.870 18.005 12.810 1143 2HE2 GLN 50 HE21 GLN 50 22.019 16.810 13.664 1144 H GLU 51 HN GLU 51 17.883 19.092 10.334 1145 HA GLU 51 HA GLU 51 15.302 19.173 11.518 1146 1HB GLU 51 HB2 GLU 51 16.643 21.018 9.526 1147 2HB GLU 51 HB1 GLU 51 15.095 21.382 10.290 1148 1HG GLU 51 HG2 GLU 51 16.148 21.213 12.514 1149 2HG GLU 51 HG1 GLU 51 17.699 20.853 11.755 1150 H VAL 52 HN VAL 52 16.298 18.695 8.150 1151 HA VAL 52 HA VAL 52 13.722 18.924 6.962 1152 HB VAL 52 HB VAL 52 16.133 17.249 6.202 1153 1HG1 VAL 52 HG12 VAL 52 13.531 17.750 4.736 1154 2HG1 VAL 52 HG11 VAL 52 15.001 17.219 3.920 1155 3HG1 VAL 52 HG13 VAL 52 14.255 16.194 5.144 1156 1HG2 VAL 52 HG21 VAL 52 16.291 19.782 6.210 1157 2HG2 VAL 52 HG23 VAL 52 16.592 19.027 4.646 1158 3HG2 VAL 52 HG22 VAL 52 15.036 19.792 4.970 1159 H VAL 53 HN VAL 53 15.361 16.128 8.468 1160 HA VAL 53 HA VAL 53 13.304 14.230 7.829 1161 HB VAL 53 HB VAL 53 15.360 14.309 10.056 1162 1HG1 VAL 53 HG12 VAL 53 13.391 12.135 9.291 1163 2HG1 VAL 53 HG11 VAL 53 14.829 11.840 10.266 1164 3HG1 VAL 53 HG13 VAL 53 13.563 12.911 10.865 1165 1HG2 VAL 53 HG22 VAL 53 15.155 12.732 7.471 1166 2HG2 VAL 53 HG21 VAL 53 16.255 14.076 7.781 1167 3HG2 VAL 53 HG23 VAL 53 16.444 12.563 8.665 1168 H ASP 54 HN ASP 54 13.812 16.378 10.621 1169 HA ASP 54 HA ASP 54 11.646 15.431 12.205 1170 1HB ASP 54 HB2 ASP 54 13.371 16.995 13.052 1171 2HB ASP 54 HB1 ASP 54 12.726 18.259 12.007 1172 H LYS 55 HN LYS 55 11.759 17.933 9.679 1173 HA LYS 55 HA LYS 55 9.063 18.817 9.919 1174 1HB LYS 55 HB2 LYS 55 10.893 19.902 8.560 1175 2HB LYS 55 HB1 LYS 55 10.664 18.638 7.352 1176 1HG LYS 55 HG2 LYS 55 8.163 19.340 7.396 1177 2HG LYS 55 HG1 LYS 55 8.735 20.799 8.202 1178 1HD LYS 55 HD2 LYS 55 9.650 19.789 5.492 1179 2HD LYS 55 HD1 LYS 55 8.591 21.168 5.779 1180 1HE LYS 55 HE2 LYS 55 10.456 22.204 7.137 1181 2HE LYS 55 HE1 LYS 55 11.501 20.898 6.574 1182 1HZ LYS 55 HZ1 LYS 55 10.911 21.558 4.277 1183 2HZ LYS 55 HZ3 LYS 55 10.108 22.913 4.905 1184 3HZ LYS 55 HZ2 LYS 55 11.783 22.742 5.129 1185 H VAL 56 HN VAL 56 10.481 16.197 7.961 1186 HA VAL 56 HA VAL 56 8.025 15.484 6.657 1187 HB VAL 56 HB VAL 56 10.534 13.880 7.237 1188 1HG1 VAL 56 HG13 VAL 56 8.105 13.217 5.549 1189 2HG1 VAL 56 HG12 VAL 56 9.654 12.389 5.390 1190 3HG1 VAL 56 HG11 VAL 56 8.753 12.286 6.900 1191 1HG2 VAL 56 HG23 VAL 56 10.704 15.891 5.729 1192 2HG2 VAL 56 HG22 VAL 56 11.093 14.366 4.931 1193 3HG2 VAL 56 HG21 VAL 56 9.524 15.126 4.664 1194 H MET 57 HN MET 57 9.567 14.364 9.666 1195 HA MET 57 HA MET 57 7.708 12.259 10.197 1196 1HB MET 57 HB2 MET 57 9.898 12.565 11.373 1197 2HB MET 57 HB1 MET 57 9.190 13.929 12.242 1198 1HG MET 57 HG2 MET 57 7.447 12.457 13.163 1199 2HG MET 57 HG1 MET 57 8.120 11.093 12.272 1200 1HE MET 57 HE3 MET 57 8.308 9.651 14.125 1201 2HE MET 57 HE2 MET 57 9.893 9.472 13.377 1202 3HE MET 57 HE1 MET 57 9.761 9.558 15.131 1203 H GLU 58 HN GLU 58 7.697 15.690 11.212 1204 HA GLU 58 HA GLU 58 5.329 15.509 12.802 1205 1HB GLU 58 HB2 GLU 58 6.547 17.820 11.270 1206 2HB GLU 58 HB1 GLU 58 5.148 17.996 12.330 1207 1HG GLU 58 HG2 GLU 58 7.735 16.746 13.272 1208 2HG GLU 58 HG1 GLU 58 7.428 18.480 13.390 1209 H THR 59 HN THR 59 5.808 16.150 9.346 1210 HA THR 59 HA THR 59 3.017 16.644 8.791 1211 HB THR 59 HB THR 59 5.245 15.714 6.953 1212 HG1 THR 59 HG1 THR 59 5.486 17.877 6.529 1213 1HG2 THR 59 HG22 THR 59 2.404 16.568 6.483 1214 2HG2 THR 59 HG21 THR 59 3.634 17.020 5.303 1215 3HG2 THR 59 HG23 THR 59 3.349 15.319 5.668 1216 H LEU 60 HN LEU 60 5.101 13.776 8.544 1217 HA LEU 60 HA LEU 60 3.148 12.044 7.421 1218 1HB LEU 60 HB2 LEU 60 5.504 11.448 7.423 1219 2HB LEU 60 HB1 LEU 60 5.534 11.434 9.185 1220 HG LEU 60 HG LEU 60 4.017 9.528 9.249 1221 1HD1 LEU 60 HD13 LEU 60 3.838 10.042 6.280 1222 2HD1 LEU 60 HD12 LEU 60 3.507 8.439 6.935 1223 3HD1 LEU 60 HD11 LEU 60 2.532 9.812 7.442 1224 1HD2 LEU 60 HD23 LEU 60 6.368 9.281 7.363 1225 2HD2 LEU 60 HD22 LEU 60 6.298 8.868 9.075 1226 3HD2 LEU 60 HD21 LEU 60 5.441 7.878 7.893 1227 H ASP 61 HN ASP 61 4.036 12.578 10.847 1228 HA ASP 61 HA ASP 61 1.927 10.764 11.751 1229 1HB ASP 61 HB2 ASP 61 3.757 12.683 13.213 1230 2HB ASP 61 HB1 ASP 61 2.563 11.670 14.029 1231 H GLU 62 HN GLU 62 -0.142 11.394 11.533 1232 HA GLU 62 HA GLU 62 -0.962 14.152 11.344 1233 1HB GLU 62 HB2 GLU 62 -2.523 11.587 11.770 1234 2HB GLU 62 HB1 GLU 62 -3.282 13.160 11.529 1235 1HG GLU 62 HG2 GLU 62 -3.216 12.200 9.359 1236 2HG GLU 62 HG1 GLU 62 -1.857 13.323 9.380 1237 H ASP 63 HN ASP 63 -1.033 11.752 13.964 1238 HA ASP 63 HA ASP 63 -2.302 13.671 15.802 1239 1HB ASP 63 HB2 ASP 63 -2.119 11.832 17.443 1240 2HB ASP 63 HB1 ASP 63 -2.874 11.283 15.946 1241 H GLY 64 HN GLY 64 0.849 13.115 14.736 1242 1HA GLY 64 HA2 GLY 64 2.932 13.827 15.560 1243 2HA GLY 64 HA1 GLY 64 2.011 15.001 16.500 1244 H ASP 65 HN ASP 65 1.953 11.432 16.720 1245 HA ASP 65 HA ASP 65 2.026 11.517 19.602 1246 1HB ASP 65 HB2 ASP 65 2.291 9.076 19.461 1247 2HB ASP 65 HB1 ASP 65 1.052 9.617 18.328 1248 H GLY 66 HN GLY 66 4.470 11.596 17.157 1249 1HA GLY 66 HA2 GLY 66 6.730 12.318 17.706 1250 2HA GLY 66 HA1 GLY 66 6.571 11.548 19.282 1251 H GLU 67 HN GLU 67 5.259 9.256 17.466 1252 HA GLU 67 HA GLU 67 7.792 8.134 16.376 1253 1HB GLU 67 HB2 GLU 67 7.466 6.014 17.546 1254 2HB GLU 67 HB1 GLU 67 7.569 7.324 18.720 1255 1HG GLU 67 HG2 GLU 67 5.109 7.384 18.883 1256 2HG GLU 67 HG1 GLU 67 4.994 6.070 17.712 1257 H CYS 68 HN CYS 68 7.408 6.411 14.820 1258 HA CYS 68 HA CYS 68 4.693 6.612 13.580 1259 1HB CYS 68 HB2 CYS 68 7.342 5.655 12.455 1260 2HB CYS 68 HB1 CYS 68 5.821 5.688 11.563 1261 HG CYS 68 HG CYS 68 7.589 8.014 11.743 1262 H ASP 69 HN ASP 69 3.336 4.937 13.801 1263 HA ASP 69 HA ASP 69 4.374 2.327 14.787 1264 1HB ASP 69 HB2 ASP 69 1.538 3.384 14.531 1265 2HB ASP 69 HB1 ASP 69 1.990 1.837 15.248 1266 H PHE 70 HN PHE 70 3.007 0.397 13.842 1267 HA PHE 70 HA PHE 70 3.692 0.099 11.102 1268 1HB PHE 70 HB2 PHE 70 3.392 -1.838 12.521 1269 2HB PHE 70 HB1 PHE 70 1.708 -1.411 12.822 1270 HD1 PHE 70 HD1 PHE 70 4.066 -2.149 9.994 1271 HD2 PHE 70 HD2 PHE 70 0.035 -2.344 11.468 1272 HE1 PHE 70 HE1 PHE 70 3.388 -3.427 7.979 1273 HE2 PHE 70 HE2 PHE 70 -0.642 -3.621 9.453 1274 HZ PHE 70 HZ PHE 70 1.036 -4.162 7.709 1275 H GLN 71 HN GLN 71 0.569 0.963 12.603 1276 HA GLN 71 HA GLN 71 -0.980 0.913 10.211 1277 1HB GLN 71 HB2 GLN 71 -1.213 2.561 12.738 1278 2HB GLN 71 HB1 GLN 71 -2.399 2.653 11.437 1279 1HG GLN 71 HG2 GLN 71 -2.947 0.324 11.664 1280 2HG GLN 71 HG1 GLN 71 -1.600 0.054 12.771 1281 1HE2 GLN 71 HE22 GLN 71 -4.761 0.530 14.766 1282 2HE2 GLN 71 HE21 GLN 71 -4.309 -0.544 13.531 1283 H GLU 72 HN GLU 72 0.953 3.513 11.671 1284 HA GLU 72 HA GLU 72 0.268 5.486 9.695 1285 1HB GLU 72 HB2 GLU 72 2.583 5.256 11.631 1286 2HB GLU 72 HB1 GLU 72 2.328 6.659 10.589 1287 1HG GLU 72 HG2 GLU 72 0.121 7.030 11.564 1288 2HG GLU 72 HG1 GLU 72 0.284 5.578 12.551 1289 H PHE 73 HN PHE 73 2.905 3.122 9.952 1290 HA PHE 73 HA PHE 73 4.488 4.076 7.796 1291 1HB PHE 73 HB2 PHE 73 5.285 2.347 9.340 1292 2HB PHE 73 HB1 PHE 73 4.072 1.221 8.726 1293 HD1 PHE 73 HD2 PHE 73 4.260 0.251 6.496 1294 HD2 PHE 73 HD1 PHE 73 7.222 2.980 7.986 1295 HE1 PHE 73 HE2 PHE 73 5.787 -0.410 4.660 1296 HE2 PHE 73 HE1 PHE 73 8.753 2.320 6.148 1297 HZ PHE 73 HZ PHE 73 8.034 0.624 4.485 1298 H MET 74 HN MET 74 1.702 1.847 7.769 1299 HA MET 74 HA MET 74 1.880 1.119 5.018 1300 1HB MET 74 HB2 MET 74 0.297 0.274 6.956 1301 2HB MET 74 HB1 MET 74 -0.787 1.533 6.371 1302 1HG MET 74 HG2 MET 74 0.346 -0.773 4.755 1303 2HG MET 74 HG1 MET 74 -1.328 -0.569 5.263 1304 1HE MET 74 HE1 MET 74 -0.838 -1.295 2.542 1305 2HE MET 74 HE3 MET 74 -0.667 -0.063 1.283 1306 3HE MET 74 HE2 MET 74 0.723 -0.528 2.262 1307 H ALA 75 HN ALA 75 0.338 3.870 6.635 1308 HA ALA 75 HA ALA 75 -0.916 5.027 4.354 1309 1HB ALA 75 HB2 ALA 75 0.144 6.220 6.921 1310 2HB ALA 75 HB1 ALA 75 -0.687 7.188 5.704 1311 3HB ALA 75 HB3 ALA 75 -1.530 5.861 6.503 1312 H PHE 76 HN PHE 76 2.373 5.358 5.640 1313 HA PHE 76 HA PHE 76 3.249 7.483 3.972 1314 1HB PHE 76 HB2 PHE 76 4.543 6.638 5.894 1315 2HB PHE 76 HB1 PHE 76 4.828 5.124 5.039 1316 HD1 PHE 76 HD1 PHE 76 6.343 5.012 3.130 1317 HD2 PHE 76 HD2 PHE 76 5.656 8.713 5.201 1318 HE1 PHE 76 HE1 PHE 76 8.320 6.005 2.011 1319 HE2 PHE 76 HE2 PHE 76 7.636 9.705 4.082 1320 HZ PHE 76 HZ PHE 76 8.968 8.352 2.488 1321 H VAL 77 HN VAL 77 3.314 3.955 3.401 1322 HA VAL 77 HA VAL 77 4.658 4.065 0.891 1323 HB VAL 77 HB VAL 77 2.597 2.125 1.979 1324 1HG1 VAL 77 HG12 VAL 77 4.244 2.040 -0.558 1325 2HG1 VAL 77 HG11 VAL 77 3.560 0.591 0.179 1326 3HG1 VAL 77 HG13 VAL 77 2.496 1.873 -0.397 1327 1HG2 VAL 77 HG22 VAL 77 4.876 2.388 3.096 1328 2HG2 VAL 77 HG21 VAL 77 4.482 0.762 2.540 1329 3HG2 VAL 77 HG23 VAL 77 5.580 1.773 1.600 1330 H SER 78 HN SER 78 1.192 4.207 1.698 1331 HA SER 78 HA SER 78 0.192 4.324 -0.958 1332 1HB SER 78 HB2 SER 78 -0.908 5.633 1.547 1333 2HB SER 78 HB1 SER 78 -1.809 5.363 0.056 1334 HG SER 78 HG SER 78 -0.759 3.064 0.628 1335 H MET 79 HN MET 79 1.321 6.929 1.193 1336 HA MET 79 HA MET 79 0.545 9.087 -0.518 1337 1HB MET 79 HB2 MET 79 2.729 8.869 1.569 1338 2HB MET 79 HB1 MET 79 2.325 10.374 0.741 1339 1HG MET 79 HG2 MET 79 -0.004 10.192 1.549 1340 2HG MET 79 HG1 MET 79 0.408 8.696 2.385 1341 1HE MET 79 HE1 MET 79 1.062 12.244 1.747 1342 2HE MET 79 HE3 MET 79 1.571 12.982 3.271 1343 3HE MET 79 HE2 MET 79 2.746 12.152 2.255 1344 H VAL 80 HN VAL 80 3.530 7.171 -0.328 1345 HA VAL 80 HA VAL 80 4.949 8.732 -2.294 1346 HB VAL 80 HB VAL 80 5.307 5.872 -1.352 1347 1HG1 VAL 80 HG11 VAL 80 6.927 7.592 -3.234 1348 2HG1 VAL 80 HG13 VAL 80 7.661 6.266 -2.333 1349 3HG1 VAL 80 HG12 VAL 80 6.358 5.941 -3.475 1350 1HG2 VAL 80 HG22 VAL 80 5.639 7.672 0.343 1351 2HG2 VAL 80 HG21 VAL 80 7.134 6.812 -0.025 1352 3HG2 VAL 80 HG23 VAL 80 6.843 8.411 -0.713 1353 H THR 81 HN THR 81 2.970 5.773 -2.477 1354 HA THR 81 HA THR 81 3.411 5.290 -5.267 1355 HB THR 81 HB THR 81 1.008 4.589 -3.552 1356 HG1 THR 81 HG1 THR 81 2.565 3.471 -2.659 1357 1HG2 THR 81 HG22 THR 81 1.885 3.793 -6.322 1358 2HG2 THR 81 HG21 THR 81 0.974 2.662 -5.324 1359 3HG2 THR 81 HG23 THR 81 0.274 4.224 -5.745 1360 H THR 82 HN THR 82 0.904 7.145 -3.546 1361 HA THR 82 HA THR 82 -0.516 7.879 -5.954 1362 HB THR 82 HB THR 82 -1.509 9.663 -4.435 1363 HG1 THR 82 HG1 THR 82 -0.493 10.024 -2.656 1364 1HG2 THR 82 HG23 THR 82 -1.508 6.781 -3.497 1365 2HG2 THR 82 HG22 THR 82 -2.705 7.993 -3.040 1366 3HG2 THR 82 HG21 THR 82 -2.569 7.479 -4.722 1367 H ALA 83 HN ALA 83 2.039 9.386 -4.019 1368 HA ALA 83 HA ALA 83 2.082 11.871 -5.461 1369 1HB ALA 83 HB1 ALA 83 4.184 10.456 -3.802 1370 2HB ALA 83 HB3 ALA 83 4.382 12.088 -4.444 1371 3HB ALA 83 HB2 ALA 83 3.103 11.747 -3.278 1372 H CYS 84 HN CYS 84 3.874 8.810 -5.879 1373 HA CYS 84 HA CYS 84 5.637 9.757 -7.920 1374 1HB CYS 84 HB2 CYS 84 6.117 7.470 -8.381 1375 2HB CYS 84 HB1 CYS 84 5.760 7.529 -6.655 1376 HG CYS 84 HG CYS 84 3.398 6.822 -8.534 1377 H HIS 85 HN HIS 85 5.459 9.594 -10.225 1378 HA HIS 85 HA HIS 85 2.803 10.149 -11.238 1379 1HB HIS 85 HB2 HIS 85 5.226 9.459 -12.909 1380 2HB HIS 85 HB1 HIS 85 3.853 10.473 -13.354 1381 HD1 HIS 85 HD1 HIS 85 3.667 12.291 -10.890 1382 HD2 HIS 85 HD2 HIS 85 7.272 11.329 -12.757 1383 HE1 HIS 85 HE1 HIS 85 5.311 14.115 -10.260 1384 HE2 HIS 85 HE2 HIS 85 7.508 13.541 -11.394 1385 H GLU 86 HN GLU 86 1.563 8.850 -12.679 1386 HA GLU 86 HA GLU 86 1.602 6.029 -12.120 1387 1HB GLU 86 HB2 GLU 86 0.155 7.641 -14.239 1388 2HB GLU 86 HB1 GLU 86 -0.123 5.924 -13.954 1389 1HG GLU 86 HG2 GLU 86 -0.762 6.411 -11.619 1390 2HG GLU 86 HG1 GLU 86 -0.489 8.131 -11.908 1391 H PHE 87 HN PHE 87 2.678 7.973 -14.898 1392 HA PHE 87 HA PHE 87 3.596 5.533 -16.305 1393 1HB PHE 87 HB2 PHE 87 4.056 8.356 -17.265 1394 2HB PHE 87 HB1 PHE 87 3.827 6.885 -18.210 1395 HD1 PHE 87 HD2 PHE 87 1.508 5.673 -17.903 1396 HD2 PHE 87 HD1 PHE 87 2.235 9.797 -16.937 1397 HE1 PHE 87 HE2 PHE 87 -0.926 6.140 -18.044 1398 HE2 PHE 87 HE1 PHE 87 -0.195 10.259 -17.079 1399 HZ PHE 87 HZ PHE 87 -1.776 8.432 -17.633 1400 H PHE 88 HN PHE 88 5.458 4.783 -15.279 1401 HA PHE 88 HA PHE 88 7.621 6.700 -14.608 1402 1HB PHE 88 HB2 PHE 88 6.894 4.648 -13.175 1403 2HB PHE 88 HB1 PHE 88 7.785 3.690 -14.349 1404 HD1 PHE 88 HD1 PHE 88 10.240 4.153 -14.721 1405 HD2 PHE 88 HD2 PHE 88 8.018 5.937 -11.511 1406 HE1 PHE 88 HE1 PHE 88 12.362 4.700 -13.561 1407 HE2 PHE 88 HE2 PHE 88 10.139 6.489 -10.349 1408 HZ PHE 88 HZ PHE 88 12.312 5.870 -11.374 1409 H GLU 89 HN GLU 89 7.933 3.473 -16.091 1410 HA GLU 89 HA GLU 89 9.508 4.706 -18.335 1411 1HB GLU 89 HB2 GLU 89 10.807 3.208 -16.765 1412 2HB GLU 89 HB1 GLU 89 9.750 1.882 -17.247 1413 1HG GLU 89 HG2 GLU 89 10.433 2.182 -19.595 1414 2HG GLU 89 HG1 GLU 89 11.482 3.519 -19.124 1415 H HIS 90 HN HIS 90 7.989 1.537 -17.760 1416 HA HIS 90 HA HIS 90 6.548 0.278 -19.117 1417 1HB HIS 90 HB2 HIS 90 5.408 3.044 -19.561 1418 2HB HIS 90 HB1 HIS 90 4.567 1.526 -19.873 1419 HD1 HIS 90 HD1 HIS 90 6.454 3.061 -16.918 1420 HD2 HIS 90 HD2 HIS 90 3.048 0.786 -17.693 1421 HE1 HIS 90 HE1 HIS 90 5.343 2.647 -14.678 1422 HE2 HIS 90 HE2 HIS 90 3.264 1.269 -15.140 1423 H GLU 91 HN GLU 91 8.865 0.646 -20.512 1424 HA GLU 91 HA GLU 91 9.598 0.318 -22.723 1425 1HB GLU 91 HB2 GLU 91 6.981 -0.272 -22.968 1426 2HB GLU 91 HB1 GLU 91 6.991 1.208 -23.919 1427 1HG GLU 91 HG2 GLU 91 8.818 -1.173 -24.371 1428 2HG GLU 91 HG1 GLU 91 7.389 -0.789 -25.330 No H/Q in entry = 1428 Start of MODEL 5 1 1H MET 0 HT2 MET 0 -1.986 -11.659 -13.005 2 2H MET 0 HT1 MET 0 -1.742 -9.986 -13.170 3 3H MET 0 HT3 MET 0 -1.208 -11.043 -14.383 4 HA MET 0 HA MET 0 0.549 -11.845 -13.129 5 1HB MET 0 HB2 MET 0 0.120 -8.919 -12.451 6 2HB MET 0 HB1 MET 0 1.639 -9.779 -12.194 7 1HG MET 0 HG2 MET 0 1.744 -10.320 -14.600 8 2HG MET 0 HG1 MET 0 0.228 -9.458 -14.858 9 1HE MET 0 HE3 MET 0 3.670 -9.491 -13.586 10 2HE MET 0 HE2 MET 0 4.363 -7.896 -13.855 11 3HE MET 0 HE1 MET 0 3.362 -8.184 -12.435 12 H SER 1 HN SER 1 0.696 -13.110 -11.348 13 HA SER 1 HA SER 1 -0.978 -12.631 -9.012 14 1HB SER 1 HB2 SER 1 -0.639 -14.915 -9.327 15 2HB SER 1 HB1 SER 1 1.033 -14.700 -9.836 16 HG SER 1 HG SER 1 1.051 -13.825 -7.433 17 H GLU 2 HN GLU 2 1.760 -11.138 -10.043 18 HA GLU 2 HA GLU 2 3.463 -11.092 -7.762 19 1HB GLU 2 HB2 GLU 2 2.906 -8.989 -9.870 20 2HB GLU 2 HB1 GLU 2 4.165 -8.825 -8.646 21 1HG GLU 2 HG2 GLU 2 5.213 -10.913 -9.441 22 2HG GLU 2 HG1 GLU 2 3.957 -11.074 -10.669 23 H LEU 3 HN LEU 3 0.465 -9.408 -8.487 24 HA LEU 3 HA LEU 3 0.600 -7.391 -6.490 25 1HB LEU 3 HB2 LEU 3 -1.133 -7.451 -8.253 26 2HB LEU 3 HB1 LEU 3 -1.828 -8.896 -7.526 27 HG LEU 3 HG LEU 3 -2.283 -7.606 -5.446 28 1HD1 LEU 3 HD11 LEU 3 -0.930 -5.439 -7.045 29 2HD1 LEU 3 HD13 LEU 3 -2.167 -5.007 -5.863 30 3HD1 LEU 3 HD12 LEU 3 -0.720 -5.865 -5.346 31 1HD2 LEU 3 HD21 LEU 3 -3.947 -7.803 -7.324 32 2HD2 LEU 3 HD23 LEU 3 -4.160 -6.358 -6.335 33 3HD2 LEU 3 HD22 LEU 3 -3.388 -6.239 -7.916 34 H GLU 4 HN GLU 4 -0.771 -10.699 -6.323 35 HA GLU 4 HA GLU 4 -1.543 -10.570 -3.584 36 1HB GLU 4 HB2 GLU 4 -2.250 -12.386 -5.106 37 2HB GLU 4 HB1 GLU 4 -0.587 -12.972 -5.172 38 1HG GLU 4 HG2 GLU 4 -0.606 -13.434 -2.780 39 2HG GLU 4 HG1 GLU 4 -2.213 -12.727 -2.630 40 H LYS 5 HN LYS 5 1.515 -11.474 -5.124 41 HA LYS 5 HA LYS 5 2.858 -12.268 -2.711 42 1HB LYS 5 HB2 LYS 5 3.898 -11.285 -5.381 43 2HB LYS 5 HB1 LYS 5 4.944 -11.856 -4.080 44 1HG LYS 5 HG2 LYS 5 3.902 -14.042 -4.117 45 2HG LYS 5 HG1 LYS 5 2.684 -13.488 -5.262 46 1HD LYS 5 HD2 LYS 5 4.442 -14.763 -6.422 47 2HD LYS 5 HD1 LYS 5 4.437 -13.081 -6.948 48 1HE LYS 5 HE2 LYS 5 6.722 -14.182 -6.370 49 2HE LYS 5 HE1 LYS 5 6.396 -12.568 -5.745 50 1HZ LYS 5 HZ3 LYS 5 5.829 -15.047 -4.219 51 2HZ LYS 5 HZ2 LYS 5 7.297 -14.200 -4.098 52 3HZ LYS 5 HZ1 LYS 5 5.842 -13.453 -3.638 53 H ALA 6 HN ALA 6 2.491 -9.166 -4.374 54 HA ALA 6 HA ALA 6 4.437 -7.696 -2.924 55 1HB ALA 6 HB1 ALA 6 1.835 -6.894 -4.235 56 2HB ALA 6 HB3 ALA 6 2.888 -5.714 -3.456 57 3HB ALA 6 HB2 ALA 6 3.476 -6.649 -4.831 58 H MET 7 HN MET 7 0.984 -8.296 -2.156 59 HA MET 7 HA MET 7 0.922 -6.672 0.188 60 1HB MET 7 HB2 MET 7 -0.601 -9.197 -0.519 61 2HB MET 7 HB1 MET 7 -0.939 -8.232 0.919 62 1HG MET 7 HG2 MET 7 -1.370 -6.262 -0.501 63 2HG MET 7 HG1 MET 7 -1.034 -7.225 -1.941 64 1HE MET 7 HE1 MET 7 -3.126 -5.654 -1.967 65 2HE MET 7 HE3 MET 7 -4.419 -6.679 -2.604 66 3HE MET 7 HE2 MET 7 -4.586 -5.928 -1.020 67 H VAL 8 HN VAL 8 1.809 -10.080 -0.280 68 HA VAL 8 HA VAL 8 2.364 -10.575 2.512 69 HB VAL 8 HB VAL 8 3.227 -11.970 -0.036 70 1HG1 VAL 8 HG13 VAL 8 3.762 -12.638 2.863 71 2HG1 VAL 8 HG12 VAL 8 3.771 -13.871 1.602 72 3HG1 VAL 8 HG11 VAL 8 4.920 -12.535 1.537 73 1HG2 VAL 8 HG23 VAL 8 0.803 -12.008 0.593 74 2HG2 VAL 8 HG22 VAL 8 1.545 -13.608 0.606 75 3HG2 VAL 8 HG21 VAL 8 1.250 -12.759 2.124 76 H ALA 9 HN ALA 9 4.323 -9.592 -0.275 77 HA ALA 9 HA ALA 9 6.876 -9.738 0.954 78 1HB ALA 9 HB1 ALA 9 6.347 -9.337 -1.504 79 2HB ALA 9 HB3 ALA 9 6.049 -7.653 -1.075 80 3HB ALA 9 HB2 ALA 9 7.650 -8.354 -0.837 81 H LEU 10 HN LEU 10 4.550 -7.021 0.851 82 HA LEU 10 HA LEU 10 6.222 -5.135 2.179 83 1HB LEU 10 HB2 LEU 10 3.372 -5.385 1.486 84 2HB LEU 10 HB1 LEU 10 3.595 -4.515 3.000 85 HG LEU 10 HG LEU 10 5.234 -3.802 0.556 86 1HD1 LEU 10 HD13 LEU 10 2.456 -2.821 1.276 87 2HD1 LEU 10 HD12 LEU 10 3.521 -2.018 0.121 88 3HD1 LEU 10 HD11 LEU 10 2.935 -3.649 -0.206 89 1HD2 LEU 10 HD23 LEU 10 5.735 -2.966 2.931 90 2HD2 LEU 10 HD22 LEU 10 5.528 -1.719 1.701 91 3HD2 LEU 10 HD21 LEU 10 4.218 -2.072 2.825 92 H ILE 11 HN ILE 11 3.784 -7.363 3.555 93 HA ILE 11 HA ILE 11 4.221 -6.640 6.273 94 HB ILE 11 HB ILE 11 3.342 -9.267 5.040 95 1HG1 ILE 11 HG12 ILE 11 1.730 -7.120 6.450 96 2HG1 ILE 11 HG11 ILE 11 1.927 -7.185 4.700 97 1HG2 ILE 11 HG21 ILE 11 3.467 -8.337 7.916 98 2HG2 ILE 11 HG23 ILE 11 2.375 -9.619 7.392 99 3HG2 ILE 11 HG22 ILE 11 4.118 -9.823 7.225 100 1HD1 ILE 11 HD13 ILE 11 0.980 -9.649 6.141 101 2HD1 ILE 11 HD12 ILE 11 -0.158 -8.337 5.843 102 3HD1 ILE 11 HD11 ILE 11 0.653 -9.122 4.489 103 H ASP 12 HN ASP 12 5.733 -9.194 4.295 104 HA ASP 12 HA ASP 12 7.361 -10.296 6.345 105 1HB ASP 12 HB2 ASP 12 7.753 -10.141 3.346 106 2HB ASP 12 HB1 ASP 12 8.800 -11.077 4.415 107 H VAL 13 HN VAL 13 8.037 -7.620 4.071 108 HA VAL 13 HA VAL 13 10.764 -7.284 4.953 109 HB VAL 13 HB VAL 13 8.850 -5.445 3.495 110 1HG1 VAL 13 HG13 VAL 13 11.740 -5.058 4.297 111 2HG1 VAL 13 HG12 VAL 13 11.031 -4.208 2.924 112 3HG1 VAL 13 HG11 VAL 13 10.384 -3.958 4.545 113 1HG2 VAL 13 HG21 VAL 13 11.209 -7.161 2.659 114 2HG2 VAL 13 HG23 VAL 13 9.519 -7.388 2.207 115 3HG2 VAL 13 HG22 VAL 13 10.416 -5.998 1.597 116 H PHE 14 HN PHE 14 7.740 -5.579 5.788 117 HA PHE 14 HA PHE 14 8.884 -3.693 7.578 118 1HB PHE 14 HB2 PHE 14 6.573 -3.536 6.770 119 2HB PHE 14 HB1 PHE 14 6.153 -5.008 7.642 120 HD1 PHE 14 HD1 PHE 14 5.974 -5.033 10.075 121 HD2 PHE 14 HD2 PHE 14 6.977 -1.434 7.956 122 HE1 PHE 14 HE1 PHE 14 5.493 -3.702 12.110 123 HE2 PHE 14 HE2 PHE 14 6.494 -0.102 9.993 124 HZ PHE 14 HZ PHE 14 5.751 -1.237 12.070 125 H HIS 15 HN HIS 15 7.697 -6.989 8.153 126 HA HIS 15 HA HIS 15 7.954 -6.990 10.980 127 1HB HIS 15 HB2 HIS 15 6.786 -8.752 9.707 128 2HB HIS 15 HB1 HIS 15 8.332 -9.294 9.050 129 HD1 HIS 15 HD1 HIS 15 9.640 -10.930 10.438 130 HD2 HIS 15 HD2 HIS 15 6.677 -9.010 12.662 131 HE1 HIS 15 HE1 HIS 15 9.627 -12.032 12.722 132 HE2 HIS 15 HE2 HIS 15 7.826 -10.873 14.080 133 H GLN 16 HN GLN 16 10.343 -7.969 8.487 134 HA GLN 16 HA GLN 16 12.357 -8.807 10.307 135 1HB GLN 16 HB2 GLN 16 12.550 -7.662 7.516 136 2HB GLN 16 HB1 GLN 16 13.937 -8.306 8.394 137 1HG GLN 16 HG2 GLN 16 12.854 -10.486 8.585 138 2HG GLN 16 HG1 GLN 16 11.397 -9.860 7.812 139 1HE2 GLN 16 HE22 GLN 16 14.506 -11.065 5.523 140 2HE2 GLN 16 HE21 GLN 16 14.510 -11.247 7.211 141 H TYR 17 HN TYR 17 11.993 -5.604 8.728 142 HA TYR 17 HA TYR 17 14.205 -4.468 10.204 143 1HB TYR 17 HB2 TYR 17 11.973 -3.256 8.571 144 2HB TYR 17 HB1 TYR 17 13.150 -2.254 9.421 145 HD1 TYR 17 HD1 TYR 17 15.552 -2.358 8.838 146 HD2 TYR 17 HD2 TYR 17 12.594 -4.540 6.622 147 HE1 TYR 17 HE1 TYR 17 17.181 -2.701 6.999 148 HE2 TYR 17 HE2 TYR 17 14.221 -4.887 4.787 149 HH TYR 17 HH TYR 17 17.541 -3.602 5.011 150 H SER 18 HN SER 18 10.703 -4.531 10.713 151 HA SER 18 HA SER 18 10.614 -2.628 12.817 152 1HB SER 18 HB2 SER 18 8.914 -5.087 12.323 153 2HB SER 18 HB1 SER 18 8.540 -3.855 13.528 154 HG SER 18 HG SER 18 7.795 -2.664 11.976 155 H GLY 19 HN GLY 19 11.255 -6.132 12.919 156 1HA GLY 19 HA2 GLY 19 11.446 -6.188 15.816 157 2HA GLY 19 HA1 GLY 19 11.927 -7.487 14.726 158 H ARG 20 HN ARG 20 13.278 -4.361 14.102 159 HA ARG 20 HA ARG 20 15.954 -5.292 14.327 160 1HB ARG 20 HB2 ARG 20 15.368 -3.309 13.009 161 2HB ARG 20 HB1 ARG 20 14.917 -2.448 14.481 162 1HG ARG 20 HG2 ARG 20 17.195 -2.529 15.304 163 2HG ARG 20 HG1 ARG 20 17.686 -3.577 13.973 164 1HD ARG 20 HD2 ARG 20 17.364 -1.821 12.366 165 2HD ARG 20 HD1 ARG 20 16.544 -0.809 13.548 166 HE ARG 20 HE ARG 20 19.071 -1.250 14.636 167 1HH1 ARG 20 HH21 ARG 20 17.759 -0.061 11.680 168 2HH1 ARG 20 HH22 ARG 20 19.064 1.039 11.386 169 1HH2 ARG 20 HH11 ARG 20 20.784 0.181 14.275 170 2HH2 ARG 20 HH12 ARG 20 20.778 1.177 12.857 171 H GLU 21 HN GLU 21 14.002 -3.386 16.681 172 HA GLU 21 HA GLU 21 15.533 -4.559 18.861 173 1HB GLU 21 HB2 GLU 21 17.148 -2.883 18.074 174 2HB GLU 21 HB1 GLU 21 15.931 -1.619 18.246 175 1HG GLU 21 HG2 GLU 21 15.807 -2.019 20.658 176 2HG GLU 21 HG1 GLU 21 16.945 -3.360 20.513 177 H GLY 22 HN GLY 22 13.942 -4.915 20.285 178 1HA GLY 22 HA2 GLY 22 11.828 -4.663 21.349 179 2HA GLY 22 HA1 GLY 22 12.674 -3.250 21.969 180 H ASP 23 HN ASP 23 11.454 -3.804 18.655 181 HA ASP 23 HA ASP 23 9.355 -1.733 19.103 182 1HB ASP 23 HB2 ASP 23 11.620 -1.562 17.102 183 2HB ASP 23 HB1 ASP 23 10.131 -0.633 16.927 184 H LYS 24 HN LYS 24 7.940 -3.628 18.808 185 HA LYS 24 HA LYS 24 8.017 -4.922 16.142 186 1HB LYS 24 HB2 LYS 24 5.852 -5.530 18.129 187 2HB LYS 24 HB1 LYS 24 6.724 -6.618 17.055 188 1HG LYS 24 HG2 LYS 24 7.892 -5.307 19.531 189 2HG LYS 24 HG1 LYS 24 7.307 -6.957 19.446 190 1HD LYS 24 HD2 LYS 24 9.511 -5.874 17.667 191 2HD LYS 24 HD1 LYS 24 9.811 -6.711 19.184 192 1HE LYS 24 HE2 LYS 24 8.677 -7.814 16.618 193 2HE LYS 24 HE1 LYS 24 10.000 -8.431 17.601 194 1HZ LYS 24 HZ3 LYS 24 8.288 -8.858 19.361 195 2HZ LYS 24 HZ2 LYS 24 7.100 -8.537 18.189 196 3HZ LYS 24 HZ1 LYS 24 8.174 -9.839 17.981 197 H HIS 25 HN HIS 25 5.799 -2.864 18.059 198 HA HIS 25 HA HIS 25 4.128 -2.524 15.590 199 1HB HIS 25 HB2 HIS 25 2.325 -1.834 17.139 200 2HB HIS 25 HB1 HIS 25 2.891 -3.473 17.453 201 HD1 HIS 25 HD1 HIS 25 2.325 -0.274 19.094 202 HD2 HIS 25 HD2 HIS 25 4.835 -3.546 19.725 203 HE1 HIS 25 HE1 HIS 25 3.164 -0.087 21.479 204 HE2 HIS 25 HE2 HIS 25 4.700 -2.067 21.869 205 H LYS 26 HN LYS 26 6.632 -0.977 16.667 206 HA LYS 26 HA LYS 26 5.475 1.692 16.022 207 1HB LYS 26 HB2 LYS 26 7.142 1.045 18.463 208 2HB LYS 26 HB1 LYS 26 7.019 2.678 17.809 209 1HG LYS 26 HG2 LYS 26 4.563 2.593 18.052 210 2HG LYS 26 HG1 LYS 26 4.686 0.965 18.721 211 1HD LYS 26 HD2 LYS 26 5.976 1.782 20.612 212 2HD LYS 26 HD1 LYS 26 6.042 3.400 19.916 213 1HE LYS 26 HE2 LYS 26 3.421 2.038 20.556 214 2HE LYS 26 HE1 LYS 26 4.285 3.016 21.742 215 1HZ LYS 26 HZ1 LYS 26 4.316 4.640 19.642 216 2HZ LYS 26 HZ3 LYS 26 2.856 3.829 19.352 217 3HZ LYS 26 HZ2 LYS 26 3.088 4.658 20.817 218 H LEU 27 HN LEU 27 6.907 3.018 14.887 219 HA LEU 27 HA LEU 27 9.589 1.841 14.233 220 1HB LEU 27 HB2 LEU 27 7.502 1.929 12.472 221 2HB LEU 27 HB1 LEU 27 8.196 3.518 12.180 222 HG LEU 27 HG LEU 27 10.473 2.224 12.039 223 1HD1 LEU 27 HD12 LEU 27 8.444 0.009 11.609 224 2HD1 LEU 27 HD11 LEU 27 10.119 -0.088 11.071 225 3HD1 LEU 27 HD13 LEU 27 9.753 0.041 12.788 226 1HD2 LEU 27 HD21 LEU 27 9.285 3.348 10.136 227 2HD2 LEU 27 HD23 LEU 27 10.181 1.909 9.650 228 3HD2 LEU 27 HD22 LEU 27 8.430 1.835 9.837 229 H LYS 28 HN LYS 28 11.242 3.227 14.602 230 HA LYS 28 HA LYS 28 10.578 6.096 15.172 231 1HB LYS 28 HB2 LYS 28 12.701 6.052 16.513 232 2HB LYS 28 HB1 LYS 28 11.432 4.993 17.122 233 1HG LYS 28 HG2 LYS 28 12.554 3.108 15.809 234 2HG LYS 28 HG1 LYS 28 13.909 4.214 15.569 235 1HD LYS 28 HD2 LYS 28 14.113 4.488 18.018 236 2HD LYS 28 HD1 LYS 28 12.774 3.365 18.249 237 1HE LYS 28 HE2 LYS 28 14.063 1.585 17.138 238 2HE LYS 28 HE1 LYS 28 15.406 2.704 16.894 239 1HZ LYS 28 HZ1 LYS 28 14.723 2.861 19.572 240 2HZ LYS 28 HZ3 LYS 28 14.737 1.207 19.200 241 3HZ LYS 28 HZ2 LYS 28 16.116 2.155 18.907 242 H LYS 29 HN LYS 29 12.813 7.391 15.000 243 HA LYS 29 HA LYS 29 13.276 7.834 12.251 244 1HB LYS 29 HB2 LYS 29 14.841 8.585 14.717 245 2HB LYS 29 HB1 LYS 29 15.255 9.179 13.110 246 1HG LYS 29 HG2 LYS 29 13.070 10.193 12.857 247 2HG LYS 29 HG1 LYS 29 12.518 9.499 14.380 248 1HD LYS 29 HD2 LYS 29 14.962 11.269 14.359 249 2HD LYS 29 HD1 LYS 29 13.362 12.003 14.298 250 1HE LYS 29 HE2 LYS 29 12.747 11.149 16.402 251 2HE LYS 29 HE1 LYS 29 14.010 9.923 16.385 252 1HZ LYS 29 HZ3 LYS 29 15.236 12.413 16.136 253 2HZ LYS 29 HZ2 LYS 29 14.119 12.529 17.412 254 3HZ LYS 29 HZ1 LYS 29 15.324 11.331 17.438 255 H SER 30 HN SER 30 15.271 5.965 14.558 256 HA SER 30 HA SER 30 17.515 5.628 12.857 257 1HB SER 30 HB2 SER 30 16.380 3.773 14.964 258 2HB SER 30 HB1 SER 30 17.975 3.593 14.238 259 HG SER 30 HG SER 30 18.058 4.786 16.185 260 H GLU 31 HN GLU 31 14.569 3.646 13.129 261 HA GLU 31 HA GLU 31 15.464 1.717 11.164 262 1HB GLU 31 HB2 GLU 31 12.755 2.346 12.330 263 2HB GLU 31 HB1 GLU 31 13.019 1.047 11.164 264 1HG GLU 31 HG2 GLU 31 14.549 -0.067 12.641 265 2HG GLU 31 HG1 GLU 31 14.571 1.301 13.753 266 H LEU 32 HN LEU 32 13.413 4.604 11.017 267 HA LEU 32 HA LEU 32 12.496 4.301 8.345 268 1HB LEU 32 HB2 LEU 32 11.621 5.986 9.936 269 2HB LEU 32 HB1 LEU 32 13.157 6.841 9.876 270 HG LEU 32 HG LEU 32 12.812 7.162 7.401 271 1HD1 LEU 32 HD11 LEU 32 10.237 5.749 8.081 272 2HD1 LEU 32 HD13 LEU 32 10.282 6.921 6.762 273 3HD1 LEU 32 HD12 LEU 32 11.316 5.495 6.710 274 1HD2 LEU 32 HD23 LEU 32 12.236 8.902 9.070 275 2HD2 LEU 32 HD22 LEU 32 11.158 8.954 7.676 276 3HD2 LEU 32 HD21 LEU 32 10.608 8.233 9.188 277 H LYS 33 HN LYS 33 15.445 5.772 9.645 278 HA LYS 33 HA LYS 33 16.502 6.809 7.215 279 1HB LYS 33 HB2 LYS 33 17.330 7.374 9.476 280 2HB LYS 33 HB1 LYS 33 17.958 5.737 9.651 281 1HG LYS 33 HG2 LYS 33 19.458 6.108 7.718 282 2HG LYS 33 HG1 LYS 33 18.830 7.750 7.551 283 1HD LYS 33 HD2 LYS 33 19.566 8.202 9.911 284 2HD LYS 33 HD1 LYS 33 20.335 6.615 9.925 285 1HE LYS 33 HE2 LYS 33 21.601 7.357 7.833 286 2HE LYS 33 HE1 LYS 33 21.012 8.985 8.172 287 1HZ LYS 33 HZ3 LYS 33 21.949 8.400 10.544 288 2HZ LYS 33 HZ2 LYS 33 22.949 7.360 9.645 289 3HZ LYS 33 HZ1 LYS 33 22.950 9.030 9.328 290 H GLU 34 HN GLU 34 16.883 3.580 8.712 291 HA GLU 34 HA GLU 34 18.832 2.645 6.835 292 1HB GLU 34 HB2 GLU 34 18.290 1.582 9.054 293 2HB GLU 34 HB1 GLU 34 16.815 0.949 8.322 294 1HG GLU 34 HG2 GLU 34 18.074 -0.314 6.697 295 2HG GLU 34 HG1 GLU 34 19.582 0.456 7.190 296 H LEU 35 HN LEU 35 15.272 2.447 6.797 297 HA LEU 35 HA LEU 35 15.137 0.756 4.482 298 1HB LEU 35 HB2 LEU 35 13.199 2.616 5.841 299 2HB LEU 35 HB1 LEU 35 12.762 1.875 4.306 300 HG LEU 35 HG LEU 35 13.804 0.171 6.577 301 1HD1 LEU 35 HD11 LEU 35 10.977 1.176 6.151 302 2HD1 LEU 35 HD13 LEU 35 11.361 -0.238 7.132 303 3HD1 LEU 35 HD12 LEU 35 11.969 1.350 7.598 304 1HD2 LEU 35 HD22 LEU 35 11.986 -0.303 4.185 305 2HD2 LEU 35 HD21 LEU 35 13.611 -0.943 4.419 306 3HD2 LEU 35 HD23 LEU 35 12.289 -1.503 5.438 307 H ILE 36 HN ILE 36 15.153 4.303 4.810 308 HA ILE 36 HA ILE 36 14.617 4.824 2.048 309 HB ILE 36 HB ILE 36 15.990 6.480 4.172 310 1HG1 ILE 36 HG12 ILE 36 13.253 6.731 2.894 311 2HG1 ILE 36 HG11 ILE 36 13.543 5.853 4.394 312 1HG2 ILE 36 HG22 ILE 36 15.272 7.108 1.301 313 2HG2 ILE 36 HG21 ILE 36 15.403 8.377 2.518 314 3HG2 ILE 36 HG23 ILE 36 16.805 7.383 2.127 315 1HD1 ILE 36 HD13 ILE 36 14.238 8.768 3.949 316 2HD1 ILE 36 HD12 ILE 36 12.794 8.196 4.786 317 3HD1 ILE 36 HD11 ILE 36 14.391 7.873 5.461 318 H ASN 37 HN ASN 37 17.674 4.399 3.809 319 HA ASN 37 HA ASN 37 19.279 4.978 1.443 320 1HB ASN 37 HB2 ASN 37 20.172 5.430 3.674 321 2HB ASN 37 HB1 ASN 37 20.023 3.724 4.099 322 1HD2 ASN 37 HD22 ASN 37 22.795 4.567 1.172 323 2HD2 ASN 37 HD21 ASN 37 21.289 5.350 1.133 324 H ASN 38 HN ASN 38 17.717 2.156 2.712 325 HA ASN 38 HA ASN 38 19.486 0.171 1.660 326 1HB ASN 38 HB2 ASN 38 17.622 -0.194 3.331 327 2HB ASN 38 HB1 ASN 38 16.499 -0.127 1.973 328 1HD2 ASN 38 HD22 ASN 38 17.267 -3.704 2.277 329 2HD2 ASN 38 HD21 ASN 38 16.344 -2.529 3.081 330 H GLU 39 HN GLU 39 16.312 1.211 0.238 331 HA GLU 39 HA GLU 39 17.545 0.935 -2.447 332 1HB GLU 39 HB2 GLU 39 15.721 -0.556 -3.243 333 2HB GLU 39 HB1 GLU 39 16.760 -1.325 -2.049 334 1HG GLU 39 HG2 GLU 39 14.257 0.088 -1.131 335 2HG GLU 39 HG1 GLU 39 14.130 -1.518 -1.836 336 H LEU 40 HN LEU 40 16.151 3.070 -0.718 337 HA LEU 40 HA LEU 40 14.201 3.937 -2.833 338 1HB LEU 40 HB2 LEU 40 13.902 3.766 0.129 339 2HB LEU 40 HB1 LEU 40 13.207 5.193 -0.634 340 HG LEU 40 HG LEU 40 12.636 2.441 -1.747 341 1HD1 LEU 40 HD11 LEU 40 11.323 3.803 0.617 342 2HD1 LEU 40 HD13 LEU 40 10.512 2.555 -0.329 343 3HD1 LEU 40 HD12 LEU 40 11.995 2.175 0.546 344 1HD2 LEU 40 HD21 LEU 40 11.991 4.504 -3.024 345 2HD2 LEU 40 HD23 LEU 40 10.594 3.547 -2.534 346 3HD2 LEU 40 HD22 LEU 40 11.016 5.011 -1.647 347 H SER 41 HN SER 41 17.159 4.540 -1.989 348 HA SER 41 HA SER 41 17.141 7.318 -1.206 349 1HB SER 41 HB2 SER 41 19.524 7.284 -1.838 350 2HB SER 41 HB1 SER 41 19.109 5.872 -0.870 351 HG SER 41 HG SER 41 20.221 5.896 -3.226 352 H HIS 42 HN HIS 42 17.187 5.666 -4.346 353 HA HIS 42 HA HIS 42 17.793 7.927 -5.963 354 1HB HIS 42 HB2 HIS 42 16.202 5.416 -6.517 355 2HB HIS 42 HB1 HIS 42 16.529 6.622 -7.761 356 HD1 HIS 42 HD1 HIS 42 18.075 4.953 -9.062 357 HD2 HIS 42 HD2 HIS 42 19.387 5.833 -5.203 358 HE1 HIS 42 HE1 HIS 42 20.460 4.109 -8.904 359 HE2 HIS 42 HE2 HIS 42 21.265 4.635 -6.557 360 H PHE 43 HN PHE 43 14.634 6.762 -4.768 361 HA PHE 43 HA PHE 43 13.041 8.568 -6.293 362 1HB PHE 43 HB2 PHE 43 12.623 7.114 -3.683 363 2HB PHE 43 HB1 PHE 43 11.406 8.245 -4.275 364 HD1 PHE 43 HD2 PHE 43 13.278 5.139 -5.090 365 HD2 PHE 43 HD1 PHE 43 9.999 7.709 -6.136 366 HE1 PHE 43 HE2 PHE 43 12.435 3.427 -6.667 367 HE2 PHE 43 HE1 PHE 43 9.155 5.991 -7.713 368 HZ PHE 43 HZ PHE 43 10.372 3.847 -7.976 369 H LEU 44 HN LEU 44 14.385 8.951 -2.996 370 HA LEU 44 HA LEU 44 13.498 11.788 -3.006 371 1HB LEU 44 HB2 LEU 44 14.893 10.159 -0.859 372 2HB LEU 44 HB1 LEU 44 14.264 11.794 -0.663 373 HG LEU 44 HG LEU 44 12.602 9.359 -1.386 374 1HD1 LEU 44 HD11 LEU 44 13.527 9.433 0.965 375 2HD1 LEU 44 HD13 LEU 44 12.643 10.942 1.198 376 3HD1 LEU 44 HD12 LEU 44 11.766 9.447 0.873 377 1HD2 LEU 44 HD22 LEU 44 11.997 12.298 -1.092 378 2HD2 LEU 44 HD21 LEU 44 11.396 11.149 -2.288 379 3HD2 LEU 44 HD23 LEU 44 10.761 11.122 -0.645 380 H GLU 45 HN GLU 45 16.545 10.285 -1.907 381 HA GLU 45 HA GLU 45 18.760 10.935 -2.265 382 1HB GLU 45 HB2 GLU 45 17.602 10.924 -4.747 383 2HB GLU 45 HB1 GLU 45 18.116 12.606 -4.659 384 1HG GLU 45 HG2 GLU 45 19.891 10.178 -4.228 385 2HG GLU 45 HG1 GLU 45 19.882 11.213 -5.657 386 H GLU 46 HN GLU 46 16.342 12.917 -1.384 387 HA GLU 46 HA GLU 46 17.896 15.447 -1.427 388 1HB GLU 46 HB2 GLU 46 15.250 15.027 -1.793 389 2HB GLU 46 HB1 GLU 46 15.235 15.251 -0.048 390 1HG GLU 46 HG2 GLU 46 16.467 17.197 -2.031 391 2HG GLU 46 HG1 GLU 46 14.878 17.384 -1.292 392 H ILE 47 HN ILE 47 17.762 12.738 0.470 393 HA ILE 47 HA ILE 47 17.762 14.021 3.093 394 HB ILE 47 HB ILE 47 18.691 11.241 2.319 395 1HG1 ILE 47 HG12 ILE 47 16.245 11.924 1.745 396 2HG1 ILE 47 HG11 ILE 47 16.500 10.441 2.651 397 1HG2 ILE 47 HG21 ILE 47 18.017 12.566 4.947 398 2HG2 ILE 47 HG23 ILE 47 18.038 10.813 4.760 399 3HG2 ILE 47 HG22 ILE 47 19.510 11.746 4.488 400 1HD1 ILE 47 HD11 ILE 47 16.122 12.937 4.254 401 2HD1 ILE 47 HD13 ILE 47 14.712 12.297 3.413 402 3HD1 ILE 47 HD12 ILE 47 15.576 11.295 4.576 403 H LYS 48 HN LYS 48 19.491 14.880 4.107 404 HA LYS 48 HA LYS 48 22.219 13.972 3.485 405 1HB LYS 48 HB2 LYS 48 21.313 15.981 1.912 406 2HB LYS 48 HB1 LYS 48 21.838 16.946 3.287 407 1HG LYS 48 HG2 LYS 48 23.563 14.931 1.804 408 2HG LYS 48 HG1 LYS 48 23.633 16.680 1.593 409 1HD LYS 48 HD2 LYS 48 24.062 16.809 4.125 410 2HD LYS 48 HD1 LYS 48 24.351 15.071 4.047 411 1HE LYS 48 HE2 LYS 48 25.806 17.071 2.299 412 2HE LYS 48 HE1 LYS 48 26.435 16.486 3.838 413 1HZ LYS 48 HZ3 LYS 48 25.766 14.197 2.633 414 2HZ LYS 48 HZ2 LYS 48 26.231 15.131 1.291 415 3HZ LYS 48 HZ1 LYS 48 27.316 14.881 2.574 416 H GLU 49 HN GLU 49 20.086 16.215 5.218 417 HA GLU 49 HA GLU 49 22.007 16.242 7.519 418 1HB GLU 49 HB2 GLU 49 19.759 18.109 6.730 419 2HB GLU 49 HB1 GLU 49 20.601 18.204 8.278 420 1HG GLU 49 HG2 GLU 49 22.750 18.492 7.088 421 2HG GLU 49 HG1 GLU 49 21.900 18.407 5.544 422 H GLN 50 HN GLN 50 21.294 15.624 9.560 423 HA GLN 50 HA GLN 50 19.173 13.684 9.694 424 1HB GLN 50 HB2 GLN 50 20.758 15.104 11.853 425 2HB GLN 50 HB1 GLN 50 19.609 13.807 12.179 426 1HG GLN 50 HG2 GLN 50 21.948 13.530 10.274 427 2HG GLN 50 HG1 GLN 50 22.003 13.035 11.967 428 1HE2 GLN 50 HE22 GLN 50 20.673 10.353 9.446 429 2HE2 GLN 50 HE21 GLN 50 21.816 11.569 9.134 430 H GLU 51 HN GLU 51 19.328 17.123 10.347 431 HA GLU 51 HA GLU 51 17.009 17.401 11.963 432 1HB GLU 51 HB2 GLU 51 18.623 19.230 11.560 433 2HB GLU 51 HB1 GLU 51 18.108 19.311 9.877 434 1HG GLU 51 HG2 GLU 51 15.828 19.910 10.584 435 2HG GLU 51 HG1 GLU 51 16.312 19.792 12.276 436 H VAL 52 HN VAL 52 17.364 17.273 8.428 437 HA VAL 52 HA VAL 52 14.684 17.930 7.755 438 HB VAL 52 HB VAL 52 16.723 16.170 6.370 439 1HG1 VAL 52 HG13 VAL 52 13.983 17.087 5.479 440 2HG1 VAL 52 HG12 VAL 52 15.238 16.608 4.336 441 3HG1 VAL 52 HG11 VAL 52 14.621 15.443 5.507 442 1HG2 VAL 52 HG22 VAL 52 17.244 18.599 6.636 443 2HG2 VAL 52 HG21 VAL 52 17.037 18.130 4.948 444 3HG2 VAL 52 HG23 VAL 52 15.744 18.984 5.791 445 H VAL 53 HN VAL 53 16.140 14.757 8.540 446 HA VAL 53 HA VAL 53 13.827 13.191 7.962 447 HB VAL 53 HB VAL 53 16.071 12.771 9.960 448 1HG1 VAL 53 HG12 VAL 53 13.798 10.943 9.142 449 2HG1 VAL 53 HG11 VAL 53 15.284 10.353 9.883 450 3HG1 VAL 53 HG13 VAL 53 14.232 11.452 10.774 451 1HG2 VAL 53 HG23 VAL 53 15.472 11.654 7.205 452 2HG2 VAL 53 HG22 VAL 53 16.790 12.744 7.634 453 3HG2 VAL 53 HG21 VAL 53 16.781 11.088 8.243 454 H ASP 54 HN ASP 54 14.817 14.890 10.922 455 HA ASP 54 HA ASP 54 12.735 13.925 12.612 456 1HB ASP 54 HB2 ASP 54 14.183 16.590 12.636 457 2HB ASP 54 HB1 ASP 54 13.198 15.966 13.959 458 H LYS 55 HN LYS 55 12.869 16.745 10.459 459 HA LYS 55 HA LYS 55 10.344 17.859 11.184 460 1HB LYS 55 HB2 LYS 55 12.132 19.020 9.874 461 2HB LYS 55 HB1 LYS 55 11.723 18.006 8.491 462 1HG LYS 55 HG2 LYS 55 9.425 18.887 8.512 463 2HG LYS 55 HG1 LYS 55 9.815 19.891 9.910 464 1HD LYS 55 HD2 LYS 55 11.548 21.054 8.595 465 2HD LYS 55 HD1 LYS 55 11.158 20.055 7.195 466 1HE LYS 55 HE2 LYS 55 9.029 21.045 6.936 467 2HE LYS 55 HE1 LYS 55 9.042 21.711 8.570 468 1HZ LYS 55 HZ2 LYS 55 11.106 22.974 7.738 469 2HZ LYS 55 HZ1 LYS 55 10.511 22.625 6.185 470 3HZ LYS 55 HZ3 LYS 55 9.569 23.526 7.271 471 H VAL 56 HN VAL 56 11.221 15.458 8.717 472 HA VAL 56 HA VAL 56 8.678 15.304 7.449 473 HB VAL 56 HB VAL 56 10.858 13.231 7.813 474 1HG1 VAL 56 HG13 VAL 56 8.311 13.172 6.183 475 2HG1 VAL 56 HG12 VAL 56 9.704 12.163 5.793 476 3HG1 VAL 56 HG11 VAL 56 8.885 11.975 7.344 477 1HG2 VAL 56 HG22 VAL 56 10.097 15.144 5.589 478 2HG2 VAL 56 HG21 VAL 56 11.596 15.126 6.519 479 3HG2 VAL 56 HG23 VAL 56 11.248 13.823 5.382 480 H MET 57 HN MET 57 9.973 13.563 10.268 481 HA MET 57 HA MET 57 7.785 11.765 10.595 482 1HB MET 57 HB2 MET 57 9.731 12.921 12.603 483 2HB MET 57 HB1 MET 57 8.593 11.627 12.977 484 1HG MET 57 HG2 MET 57 10.594 11.484 10.709 485 2HG MET 57 HG1 MET 57 10.903 10.837 12.316 486 1HE MET 57 HE3 MET 57 10.037 8.964 13.341 487 2HE MET 57 HE2 MET 57 8.315 9.339 13.362 488 3HE MET 57 HE1 MET 57 8.864 7.791 12.731 489 H GLU 58 HN GLU 58 8.309 15.040 11.878 490 HA GLU 58 HA GLU 58 5.992 15.025 13.567 491 1HB GLU 58 HB2 GLU 58 8.014 16.653 13.558 492 2HB GLU 58 HB1 GLU 58 7.128 17.521 12.306 493 1HG GLU 58 HG2 GLU 58 5.978 16.831 15.028 494 2HG GLU 58 HG1 GLU 58 6.696 18.390 14.624 495 H THR 59 HN THR 59 6.480 16.062 10.203 496 HA THR 59 HA THR 59 3.843 17.167 9.871 497 HB THR 59 HB THR 59 5.744 16.038 7.802 498 HG1 THR 59 HG1 THR 59 6.156 17.996 9.311 499 1HG2 THR 59 HG21 THR 59 3.162 17.581 7.620 500 2HG2 THR 59 HG23 THR 59 4.394 17.752 6.369 501 3HG2 THR 59 HG22 THR 59 3.682 16.172 6.694 502 H LEU 60 HN LEU 60 5.176 13.934 9.250 503 HA LEU 60 HA LEU 60 2.815 12.895 7.989 504 1HB LEU 60 HB2 LEU 60 5.177 11.893 7.983 505 2HB LEU 60 HB1 LEU 60 4.820 11.299 9.600 506 HG LEU 60 HG LEU 60 2.726 10.215 8.597 507 1HD1 LEU 60 HD12 LEU 60 4.128 11.145 6.093 508 2HD1 LEU 60 HD11 LEU 60 3.188 9.656 6.069 509 3HD1 LEU 60 HD13 LEU 60 2.410 11.180 6.484 510 1HD2 LEU 60 HD22 LEU 60 4.751 8.955 9.239 511 2HD2 LEU 60 HD21 LEU 60 4.011 8.267 7.795 512 3HD2 LEU 60 HD23 LEU 60 5.452 9.273 7.653 513 H ASP 61 HN ASP 61 3.615 13.554 11.291 514 HA ASP 61 HA ASP 61 1.813 11.636 12.498 515 1HB ASP 61 HB2 ASP 61 3.737 12.652 13.693 516 2HB ASP 61 HB1 ASP 61 2.921 14.214 13.645 517 H GLU 62 HN GLU 62 -0.160 12.064 11.211 518 HA GLU 62 HA GLU 62 -1.536 14.640 11.691 519 1HB GLU 62 HB2 GLU 62 -2.175 12.165 10.079 520 2HB GLU 62 HB1 GLU 62 -3.410 13.383 10.394 521 1HG GLU 62 HG2 GLU 62 -1.984 15.112 9.375 522 2HG GLU 62 HG1 GLU 62 -0.731 13.908 9.070 523 H ASP 63 HN ASP 63 -1.428 11.409 12.968 524 HA ASP 63 HA ASP 63 -4.027 11.590 14.311 525 1HB ASP 63 HB2 ASP 63 -3.336 9.446 15.367 526 2HB ASP 63 HB1 ASP 63 -3.193 9.402 13.610 527 H GLY 64 HN GLY 64 -1.078 13.028 14.896 528 1HA GLY 64 HA2 GLY 64 -0.327 14.246 16.763 529 2HA GLY 64 HA1 GLY 64 -1.879 13.902 17.527 530 H ASP 65 HN ASP 65 0.271 11.363 16.369 531 HA ASP 65 HA ASP 65 0.436 10.332 19.148 532 1HB ASP 65 HB2 ASP 65 -0.270 8.720 17.515 533 2HB ASP 65 HB1 ASP 65 1.070 9.129 16.444 534 H GLY 66 HN GLY 66 2.573 11.442 16.523 535 1HA GLY 66 HA2 GLY 66 4.705 12.474 16.873 536 2HA GLY 66 HA1 GLY 66 4.706 11.875 18.528 537 H GLU 67 HN GLU 67 3.841 9.260 16.732 538 HA GLU 67 HA GLU 67 6.653 8.451 16.069 539 1HB GLU 67 HB2 GLU 67 4.617 6.833 17.641 540 2HB GLU 67 HB1 GLU 67 6.147 6.203 17.035 541 1HG GLU 67 HG2 GLU 67 5.943 8.600 18.877 542 2HG GLU 67 HG1 GLU 67 6.208 6.954 19.449 543 H CYS 68 HN CYS 68 6.698 6.694 14.451 544 HA CYS 68 HA CYS 68 4.387 6.901 12.601 545 1HB CYS 68 HB2 CYS 68 7.197 5.818 12.343 546 2HB CYS 68 HB1 CYS 68 5.979 5.555 11.095 547 HG CYS 68 HG CYS 68 6.308 7.884 10.331 548 H ASP 69 HN ASP 69 2.760 5.458 13.110 549 HA ASP 69 HA ASP 69 3.463 2.770 14.142 550 1HB ASP 69 HB2 ASP 69 0.792 4.127 13.661 551 2HB ASP 69 HB1 ASP 69 0.961 2.472 14.240 552 H PHE 70 HN PHE 70 2.267 0.886 13.106 553 HA PHE 70 HA PHE 70 3.070 0.595 10.396 554 1HB PHE 70 HB2 PHE 70 2.691 -1.303 11.940 555 2HB PHE 70 HB1 PHE 70 0.962 -0.961 11.927 556 HD1 PHE 70 HD2 PHE 70 3.789 -1.525 9.522 557 HD2 PHE 70 HD1 PHE 70 -0.373 -2.135 10.396 558 HE1 PHE 70 HE2 PHE 70 3.558 -2.890 7.466 559 HE2 PHE 70 HE1 PHE 70 -0.601 -3.507 8.341 560 HZ PHE 70 HZ PHE 70 1.364 -3.882 6.876 561 H GLN 71 HN GLN 71 -0.075 1.430 11.820 562 HA GLN 71 HA GLN 71 -1.628 1.327 9.447 563 1HB GLN 71 HB2 GLN 71 -2.578 1.548 11.716 564 2HB GLN 71 HB1 GLN 71 -1.932 3.186 11.823 565 1HG GLN 71 HG2 GLN 71 -3.330 3.930 9.999 566 2HG GLN 71 HG1 GLN 71 -3.860 2.280 9.668 567 1HE2 GLN 71 HE22 GLN 71 -6.597 2.707 11.831 568 2HE2 GLN 71 HE21 GLN 71 -6.010 2.145 10.341 569 H GLU 72 HN GLU 72 0.057 4.168 10.878 570 HA GLU 72 HA GLU 72 -0.664 5.895 8.669 571 1HB GLU 72 HB2 GLU 72 1.748 6.859 9.942 572 2HB GLU 72 HB1 GLU 72 0.107 7.476 10.123 573 1HG GLU 72 HG2 GLU 72 -0.324 5.737 11.851 574 2HG GLU 72 HG1 GLU 72 1.351 5.210 11.694 575 H PHE 73 HN PHE 73 1.907 3.622 9.249 576 HA PHE 73 HA PHE 73 3.837 4.554 7.386 577 1HB PHE 73 HB2 PHE 73 4.110 2.676 9.069 578 2HB PHE 73 HB1 PHE 73 3.202 1.651 7.957 579 HD1 PHE 73 HD1 PHE 73 6.096 4.032 7.967 580 HD2 PHE 73 HD2 PHE 73 4.396 0.441 6.335 581 HE1 PHE 73 HE1 PHE 73 8.175 3.636 6.677 582 HE2 PHE 73 HE2 PHE 73 6.473 0.048 5.038 583 HZ PHE 73 HZ PHE 73 8.364 1.646 5.210 584 H MET 74 HN MET 74 1.112 2.282 6.905 585 HA MET 74 HA MET 74 1.603 1.793 4.141 586 1HB MET 74 HB2 MET 74 -1.058 1.874 5.601 587 2HB MET 74 HB1 MET 74 -0.775 1.134 4.025 588 1HG MET 74 HG2 MET 74 0.667 0.331 6.568 589 2HG MET 74 HG1 MET 74 -0.729 -0.519 5.911 590 1HE MET 74 HE3 MET 74 -0.974 -1.470 3.816 591 2HE MET 74 HE2 MET 74 -0.100 -0.597 2.562 592 3HE MET 74 HE1 MET 74 0.286 -2.285 2.883 593 H ALA 75 HN ALA 75 -0.203 4.354 5.794 594 HA ALA 75 HA ALA 75 -1.354 5.575 3.502 595 1HB ALA 75 HB1 ALA 75 -1.784 6.101 5.979 596 2HB ALA 75 HB3 ALA 75 -0.333 7.102 5.903 597 3HB ALA 75 HB2 ALA 75 -1.721 7.481 4.881 598 H PHE 76 HN PHE 76 1.885 5.908 4.928 599 HA PHE 76 HA PHE 76 2.731 8.146 3.386 600 1HB PHE 76 HB2 PHE 76 4.076 7.349 5.250 601 2HB PHE 76 HB1 PHE 76 4.326 5.795 4.452 602 HD1 PHE 76 HD2 PHE 76 5.023 9.448 4.201 603 HD2 PHE 76 HD1 PHE 76 6.003 5.513 2.782 604 HE1 PHE 76 HE2 PHE 76 6.988 10.368 2.996 605 HE2 PHE 76 HE1 PHE 76 7.965 6.435 1.577 606 HZ PHE 76 HZ PHE 76 8.457 8.862 1.684 607 H VAL 77 HN VAL 77 2.794 4.654 2.648 608 HA VAL 77 HA VAL 77 4.176 4.860 0.161 609 HB VAL 77 HB VAL 77 2.069 2.904 1.126 610 1HG1 VAL 77 HG11 VAL 77 3.718 2.940 -1.409 611 2HG1 VAL 77 HG13 VAL 77 3.026 1.455 -0.754 612 3HG1 VAL 77 HG12 VAL 77 1.969 2.776 -1.256 613 1HG2 VAL 77 HG22 VAL 77 5.092 2.818 0.916 614 2HG2 VAL 77 HG21 VAL 77 4.129 2.797 2.394 615 3HG2 VAL 77 HG23 VAL 77 4.093 1.416 1.299 616 H SER 78 HN SER 78 0.734 5.150 0.988 617 HA SER 78 HA SER 78 -0.231 5.403 -1.689 618 1HB SER 78 HB2 SER 78 -1.698 4.978 0.262 619 2HB SER 78 HB1 SER 78 -1.355 6.599 0.861 620 HG SER 78 HG SER 78 -3.279 6.584 -0.329 621 H MET 79 HN MET 79 0.745 7.893 0.691 622 HA MET 79 HA MET 79 0.146 10.138 -0.951 623 1HB MET 79 HB2 MET 79 2.227 9.761 1.217 624 2HB MET 79 HB1 MET 79 1.892 11.317 0.455 625 1HG MET 79 HG2 MET 79 -0.474 11.148 1.147 626 2HG MET 79 HG1 MET 79 -0.135 9.598 1.914 627 1HE MET 79 HE3 MET 79 0.695 13.127 1.471 628 2HE MET 79 HE2 MET 79 1.055 13.800 3.059 629 3HE MET 79 HE1 MET 79 2.325 12.991 2.144 630 H VAL 80 HN VAL 80 3.081 8.151 -0.716 631 HA VAL 80 HA VAL 80 4.627 9.757 -2.549 632 HB VAL 80 HB VAL 80 4.858 6.871 -1.649 633 1HG1 VAL 80 HG12 VAL 80 6.658 8.517 -3.444 634 2HG1 VAL 80 HG11 VAL 80 7.213 7.077 -2.592 635 3HG1 VAL 80 HG13 VAL 80 5.930 6.949 -3.795 636 1HG2 VAL 80 HG23 VAL 80 5.249 8.625 0.058 637 2HG2 VAL 80 HG22 VAL 80 6.733 7.750 -0.324 638 3HG2 VAL 80 HG21 VAL 80 6.462 9.362 -0.990 639 H THR 81 HN THR 81 2.542 6.906 -2.924 640 HA THR 81 HA THR 81 3.108 6.475 -5.698 641 HB THR 81 HB THR 81 0.485 5.870 -4.310 642 HG1 THR 81 HG1 THR 81 1.674 4.708 -3.037 643 1HG2 THR 81 HG22 THR 81 0.592 5.505 -6.755 644 2HG2 THR 81 HG21 THR 81 2.017 4.490 -6.532 645 3HG2 THR 81 HG23 THR 81 0.459 3.979 -5.881 646 H THR 82 HN THR 82 0.564 8.371 -4.054 647 HA THR 82 HA THR 82 -0.689 9.222 -6.514 648 HB THR 82 HB THR 82 -1.818 10.902 -5.069 649 HG1 THR 82 HG1 THR 82 -0.850 9.942 -2.740 650 1HG2 THR 82 HG22 THR 82 -2.664 8.582 -5.213 651 2HG2 THR 82 HG21 THR 82 -1.643 8.136 -3.846 652 3HG2 THR 82 HG23 THR 82 -2.962 9.284 -3.623 653 H ALA 83 HN ALA 83 1.775 10.661 -4.390 654 HA ALA 83 HA ALA 83 1.932 13.192 -5.680 655 1HB ALA 83 HB3 ALA 83 3.068 12.376 -3.495 656 2HB ALA 83 HB2 ALA 83 4.348 11.776 -4.548 657 3HB ALA 83 HB1 ALA 83 3.965 13.498 -4.516 658 H CYS 84 HN CYS 84 3.768 10.185 -6.297 659 HA CYS 84 HA CYS 84 5.079 11.365 -8.635 660 1HB CYS 84 HB2 CYS 84 6.021 9.095 -8.942 661 2HB CYS 84 HB1 CYS 84 6.248 9.670 -7.291 662 HG CYS 84 HG CYS 84 4.573 7.266 -8.104 663 H HIS 85 HN HIS 85 3.855 11.712 -10.412 664 HA HIS 85 HA HIS 85 1.910 9.586 -11.269 665 1HB HIS 85 HB2 HIS 85 0.738 11.540 -12.427 666 2HB HIS 85 HB1 HIS 85 0.625 11.508 -10.667 667 HD1 HIS 85 HD1 HIS 85 2.754 12.915 -9.480 668 HD2 HIS 85 HD2 HIS 85 1.592 14.002 -13.337 669 HE1 HIS 85 HE1 HIS 85 3.643 15.257 -9.864 670 HE2 HIS 85 HE2 HIS 85 2.940 15.928 -12.206 671 H GLU 86 HN GLU 86 4.809 9.963 -11.917 672 HA GLU 86 HA GLU 86 5.015 11.011 -14.597 673 1HB GLU 86 HB2 GLU 86 6.954 10.749 -13.045 674 2HB GLU 86 HB1 GLU 86 6.810 8.999 -13.212 675 1HG GLU 86 HG2 GLU 86 7.174 9.190 -15.641 676 2HG GLU 86 HG1 GLU 86 7.305 10.943 -15.487 677 H PHE 87 HN PHE 87 4.080 7.933 -13.268 678 HA PHE 87 HA PHE 87 3.585 5.873 -14.249 679 1HB PHE 87 HB2 PHE 87 1.908 5.965 -15.931 680 2HB PHE 87 HB1 PHE 87 1.681 7.410 -14.958 681 HD1 PHE 87 HD2 PHE 87 2.248 9.633 -15.851 682 HD2 PHE 87 HD1 PHE 87 2.722 6.086 -18.226 683 HE1 PHE 87 HE2 PHE 87 2.447 11.027 -17.890 684 HE2 PHE 87 HE1 PHE 87 2.912 7.481 -20.267 685 HZ PHE 87 HZ PHE 87 2.780 9.952 -20.099 686 H PHE 88 HN PHE 88 5.342 4.716 -14.842 687 HA PHE 88 HA PHE 88 7.008 5.541 -17.118 688 1HB PHE 88 HB2 PHE 88 7.064 3.093 -15.325 689 2HB PHE 88 HB1 PHE 88 8.244 3.414 -16.594 690 HD1 PHE 88 HD1 PHE 88 9.862 5.240 -16.387 691 HD2 PHE 88 HD2 PHE 88 6.988 4.449 -13.297 692 HE1 PHE 88 HE1 PHE 88 11.142 6.684 -14.828 693 HE2 PHE 88 HE2 PHE 88 8.266 5.894 -11.738 694 HZ PHE 88 HZ PHE 88 10.344 7.010 -12.503 695 H GLU 89 HN GLU 89 6.511 4.968 -19.189 696 HA GLU 89 HA GLU 89 4.531 2.782 -19.636 697 1HB GLU 89 HB2 GLU 89 4.245 5.070 -20.685 698 2HB GLU 89 HB1 GLU 89 5.684 4.733 -21.648 699 1HG GLU 89 HG2 GLU 89 3.771 4.129 -22.985 700 2HG GLU 89 HG1 GLU 89 4.537 2.630 -22.459 701 H HIS 90 HN HIS 90 5.628 0.842 -19.675 702 HA HIS 90 HA HIS 90 8.315 0.582 -20.744 703 1HB HIS 90 HB2 HIS 90 6.275 -1.599 -20.208 704 2HB HIS 90 HB1 HIS 90 8.023 -1.798 -20.344 705 HD1 HIS 90 HD1 HIS 90 5.422 -0.156 -18.122 706 HD2 HIS 90 HD2 HIS 90 9.435 -1.288 -17.977 707 HE1 HIS 90 HE1 HIS 90 6.177 0.183 -15.726 708 HE2 HIS 90 HE2 HIS 90 8.617 -0.503 -15.626 709 H GLU 91 HN GLU 91 8.904 -0.445 -22.739 710 HA GLU 91 HA GLU 91 6.946 -0.021 -24.891 711 1HB GLU 91 HB2 GLU 91 9.831 -0.946 -24.880 712 2HB GLU 91 HB1 GLU 91 8.869 -0.786 -26.349 713 1HG GLU 91 HG2 GLU 91 8.473 1.593 -25.837 714 2HG GLU 91 HG1 GLU 91 9.437 1.440 -24.368 715 1H MET 0 HT3 MET 0 16.420 -5.436 0.337 716 2H MET 0 HT2 MET 0 15.209 -6.011 1.380 717 3H MET 0 HT1 MET 0 16.545 -6.989 1.005 718 HA MET 0 HA MET 0 15.802 -7.482 -1.097 719 1HB MET 0 HB2 MET 0 13.346 -7.024 0.624 720 2HB MET 0 HB1 MET 0 13.345 -7.953 -0.876 721 1HG MET 0 HG2 MET 0 15.033 -9.487 0.071 722 2HG MET 0 HG1 MET 0 15.032 -8.561 1.570 723 1HE MET 0 HE1 MET 0 13.176 -10.409 -1.003 724 2HE MET 0 HE3 MET 0 11.861 -11.280 -0.204 725 3HE MET 0 HE2 MET 0 11.660 -9.586 -0.646 726 H SER 1 HN SER 1 15.730 -6.340 -2.963 727 HA SER 1 HA SER 1 14.679 -3.623 -3.025 728 1HB SER 1 HB2 SER 1 16.447 -3.811 -4.519 729 2HB SER 1 HB1 SER 1 16.024 -5.462 -4.968 730 HG SER 1 HG SER 1 15.570 -3.806 -6.577 731 H GLU 2 HN GLU 2 13.144 -6.521 -2.982 732 HA GLU 2 HA GLU 2 11.261 -6.385 -5.115 733 1HB GLU 2 HB2 GLU 2 11.009 -7.505 -2.309 734 2HB GLU 2 HB1 GLU 2 9.773 -7.709 -3.551 735 1HG GLU 2 HG2 GLU 2 11.423 -8.810 -5.017 736 2HG GLU 2 HG1 GLU 2 12.660 -8.610 -3.776 737 H LEU 3 HN LEU 3 11.442 -4.720 -2.026 738 HA LEU 3 HA LEU 3 8.773 -3.756 -1.883 739 1HB LEU 3 HB2 LEU 3 10.387 -3.549 -0.029 740 2HB LEU 3 HB1 LEU 3 11.352 -2.427 -0.982 741 HG LEU 3 HG LEU 3 9.425 -0.853 -1.046 742 1HD1 LEU 3 HD11 LEU 3 8.138 -3.082 0.527 743 2HD1 LEU 3 HD13 LEU 3 7.623 -1.413 0.765 744 3HD1 LEU 3 HD12 LEU 3 7.482 -2.156 -0.824 745 1HD2 LEU 3 HD23 LEU 3 11.177 -0.750 0.738 746 2HD2 LEU 3 HD22 LEU 3 9.615 -0.131 1.272 747 3HD2 LEU 3 HD21 LEU 3 10.141 -1.741 1.764 748 H GLU 4 HN GLU 4 11.673 -2.270 -3.366 749 HA GLU 4 HA GLU 4 10.356 0.050 -4.364 750 1HB GLU 4 HB2 GLU 4 12.817 -0.201 -4.323 751 2HB GLU 4 HB1 GLU 4 12.704 -1.455 -5.558 752 1HG GLU 4 HG2 GLU 4 11.760 0.125 -7.147 753 2HG GLU 4 HG1 GLU 4 11.703 1.379 -5.911 754 H LYS 5 HN LYS 5 10.793 -3.181 -5.743 755 HA LYS 5 HA LYS 5 9.605 -2.596 -8.293 756 1HB LYS 5 HB2 LYS 5 9.957 -5.186 -6.762 757 2HB LYS 5 HB1 LYS 5 9.309 -5.108 -8.401 758 1HG LYS 5 HG2 LYS 5 11.355 -4.099 -9.227 759 2HG LYS 5 HG1 LYS 5 11.990 -3.955 -7.590 760 1HD LYS 5 HD2 LYS 5 12.974 -5.902 -8.737 761 2HD LYS 5 HD1 LYS 5 11.995 -6.410 -7.362 762 1HE LYS 5 HE2 LYS 5 11.704 -7.668 -9.624 763 2HE LYS 5 HE1 LYS 5 10.256 -7.205 -8.734 764 1HZ LYS 5 HZ1 LYS 5 11.470 -5.525 -10.854 765 2HZ LYS 5 HZ3 LYS 5 10.245 -6.657 -11.158 766 3HZ LYS 5 HZ2 LYS 5 9.944 -5.339 -10.128 767 H ALA 6 HN ALA 6 8.289 -3.677 -5.193 768 HA ALA 6 HA ALA 6 5.692 -4.395 -6.083 769 1HB ALA 6 HB2 ALA 6 6.663 -3.264 -3.448 770 2HB ALA 6 HB1 ALA 6 5.008 -3.816 -3.705 771 3HB ALA 6 HB3 ALA 6 6.349 -4.955 -3.841 772 H MET 7 HN MET 7 6.951 -1.202 -5.037 773 HA MET 7 HA MET 7 4.459 0.174 -5.241 774 1HB MET 7 HB2 MET 7 7.302 1.141 -5.660 775 2HB MET 7 HB1 MET 7 5.905 2.218 -5.640 776 1HG MET 7 HG2 MET 7 5.338 1.443 -3.365 777 2HG MET 7 HG1 MET 7 6.737 0.369 -3.384 778 1HE MET 7 HE2 MET 7 6.289 1.807 -1.233 779 2HE MET 7 HE1 MET 7 7.890 2.434 -0.855 780 3HE MET 7 HE3 MET 7 6.542 3.547 -1.128 781 H VAL 8 HN VAL 8 6.990 -0.464 -7.654 782 HA VAL 8 HA VAL 8 5.644 0.934 -9.795 783 HB VAL 8 HB VAL 8 7.791 -1.205 -9.765 784 1HG1 VAL 8 HG13 VAL 8 6.518 0.290 -12.064 785 2HG1 VAL 8 HG12 VAL 8 8.141 -0.389 -12.178 786 3HG1 VAL 8 HG11 VAL 8 6.760 -1.449 -11.896 787 1HG2 VAL 8 HG23 VAL 8 8.242 1.133 -8.852 788 2HG2 VAL 8 HG22 VAL 8 9.299 0.614 -10.165 789 3HG2 VAL 8 HG21 VAL 8 7.971 1.729 -10.489 790 H ALA 9 HN ALA 9 5.726 -2.435 -8.693 791 HA ALA 9 HA ALA 9 4.264 -3.598 -10.827 792 1HB ALA 9 HB1 ALA 9 5.493 -4.770 -8.915 793 2HB ALA 9 HB3 ALA 9 4.052 -4.471 -7.942 794 3HB ALA 9 HB2 ALA 9 3.947 -5.472 -9.392 795 H LEU 10 HN LEU 10 3.073 -2.158 -7.775 796 HA LEU 10 HA LEU 10 0.325 -2.783 -8.190 797 1HB LEU 10 HB2 LEU 10 1.899 -1.011 -6.445 798 2HB LEU 10 HB1 LEU 10 0.327 -0.322 -6.823 799 HG LEU 10 HG LEU 10 0.589 -3.195 -5.907 800 1HD1 LEU 10 HD13 LEU 10 0.322 -0.723 -4.171 801 2HD1 LEU 10 HD12 LEU 10 0.094 -2.378 -3.607 802 3HD1 LEU 10 HD11 LEU 10 1.676 -1.851 -4.181 803 1HD2 LEU 10 HD23 LEU 10 -1.627 -1.117 -5.889 804 2HD2 LEU 10 HD22 LEU 10 -1.570 -2.609 -6.829 805 3HD2 LEU 10 HD21 LEU 10 -1.748 -2.677 -5.077 806 H ILE 11 HN ILE 11 2.130 0.185 -9.058 807 HA ILE 11 HA ILE 11 -0.056 1.509 -10.311 808 HB ILE 11 HB ILE 11 2.923 1.659 -10.854 809 1HG1 ILE 11 HG12 ILE 11 1.100 3.578 -9.378 810 2HG1 ILE 11 HG11 ILE 11 2.024 2.313 -8.569 811 1HG2 ILE 11 HG22 ILE 11 0.610 3.321 -11.877 812 2HG2 ILE 11 HG21 ILE 11 2.267 3.923 -11.850 813 3HG2 ILE 11 HG23 ILE 11 1.859 2.509 -12.820 814 1HD1 ILE 11 HD11 ILE 11 3.371 4.294 -10.408 815 2HD1 ILE 11 HD13 ILE 11 3.090 4.667 -8.708 816 3HD1 ILE 11 HD12 ILE 11 4.096 3.290 -9.154 817 H ASP 12 HN ASP 12 2.431 -0.651 -11.688 818 HA ASP 12 HA ASP 12 1.566 -0.481 -14.391 819 1HB ASP 12 HB2 ASP 12 2.950 -2.706 -12.873 820 2HB ASP 12 HB1 ASP 12 2.706 -2.729 -14.620 821 H VAL 13 HN VAL 13 0.542 -2.708 -11.792 822 HA VAL 13 HA VAL 13 -1.158 -4.279 -13.514 823 HB VAL 13 HB VAL 13 -1.077 -3.914 -10.510 824 1HG1 VAL 13 HG13 VAL 13 -2.830 -5.674 -12.236 825 2HG1 VAL 13 HG12 VAL 13 -2.481 -6.061 -10.550 826 3HG1 VAL 13 HG11 VAL 13 -3.325 -4.566 -10.956 827 1HG2 VAL 13 HG21 VAL 13 -0.209 -6.148 -12.372 828 2HG2 VAL 13 HG23 VAL 13 0.861 -5.047 -11.504 829 3HG2 VAL 13 HG22 VAL 13 -0.123 -6.208 -10.611 830 H PHE 14 HN PHE 14 -1.841 -1.601 -11.253 831 HA PHE 14 HA PHE 14 -4.656 -1.531 -11.635 832 1HB PHE 14 HB2 PHE 14 -3.523 -0.293 -9.846 833 2HB PHE 14 HB1 PHE 14 -2.727 0.733 -11.037 834 HD1 PHE 14 HD1 PHE 14 -3.969 2.419 -12.289 835 HD2 PHE 14 HD2 PHE 14 -5.912 -0.053 -9.361 836 HE1 PHE 14 HE1 PHE 14 -5.918 3.953 -12.289 837 HE2 PHE 14 HE2 PHE 14 -7.863 1.479 -9.364 838 HZ PHE 14 HZ PHE 14 -7.866 3.483 -10.826 839 H HIS 15 HN HIS 15 -2.041 0.071 -13.428 840 HA HIS 15 HA HIS 15 -3.676 1.670 -15.111 841 1HB HIS 15 HB2 HIS 15 -1.233 1.938 -14.928 842 2HB HIS 15 HB1 HIS 15 -1.006 0.392 -15.746 843 HD1 HIS 15 HD1 HIS 15 -1.012 0.426 -18.261 844 HD2 HIS 15 HD2 HIS 15 -2.609 3.923 -16.645 845 HE1 HIS 15 HE1 HIS 15 -1.399 2.005 -20.207 846 HE2 HIS 15 HE2 HIS 15 -2.365 4.139 -19.232 847 H GLN 16 HN GLN 16 -2.409 -1.643 -15.669 848 HA GLN 16 HA GLN 16 -3.489 -1.951 -18.277 849 1HB GLN 16 HB2 GLN 16 -2.897 -3.984 -16.119 850 2HB GLN 16 HB1 GLN 16 -3.382 -4.427 -17.756 851 1HG GLN 16 HG2 GLN 16 -1.458 -3.255 -18.690 852 2HG GLN 16 HG1 GLN 16 -0.992 -2.683 -17.088 853 1HE2 GLN 16 HE22 GLN 16 0.112 -6.384 -18.276 854 2HE2 GLN 16 HE21 GLN 16 -0.696 -5.312 -19.316 855 H TYR 17 HN TYR 17 -4.930 -2.998 -15.160 856 HA TYR 17 HA TYR 17 -7.382 -3.857 -16.427 857 1HB TYR 17 HB2 TYR 17 -6.627 -3.309 -13.555 858 2HB TYR 17 HB1 TYR 17 -8.267 -3.769 -14.011 859 HD1 TYR 17 HD1 TYR 17 -8.720 -5.968 -15.043 860 HD2 TYR 17 HD2 TYR 17 -4.805 -4.889 -13.657 861 HE1 TYR 17 HE1 TYR 17 -8.032 -8.349 -15.136 862 HE2 TYR 17 HE2 TYR 17 -4.111 -7.265 -13.753 863 HH TYR 17 HH TYR 17 -6.335 -9.810 -14.102 864 H SER 18 HN SER 18 -6.371 -0.846 -14.863 865 HA SER 18 HA SER 18 -8.935 0.364 -14.737 866 1HB SER 18 HB2 SER 18 -6.208 1.626 -15.146 867 2HB SER 18 HB1 SER 18 -7.674 2.529 -14.774 868 HG SER 18 HG SER 18 -7.836 1.349 -12.846 869 H GLY 19 HN GLY 19 -6.559 0.303 -17.392 870 1HA GLY 19 HA2 GLY 19 -8.172 1.998 -19.111 871 2HA GLY 19 HA1 GLY 19 -6.761 1.069 -19.611 872 H ARG 20 HN ARG 20 -9.264 -0.684 -17.982 873 HA ARG 20 HA ARG 20 -9.630 -2.490 -20.149 874 1HB ARG 20 HB2 ARG 20 -10.200 -3.111 -17.852 875 2HB ARG 20 HB1 ARG 20 -11.482 -1.899 -17.821 876 1HG ARG 20 HG2 ARG 20 -12.728 -3.069 -19.535 877 2HG ARG 20 HG1 ARG 20 -11.392 -4.189 -19.810 878 1HD ARG 20 HD2 ARG 20 -11.681 -5.188 -17.642 879 2HD ARG 20 HD1 ARG 20 -12.788 -3.917 -17.140 880 HE ARG 20 HE ARG 20 -13.998 -5.074 -19.376 881 1HH1 ARG 20 HH21 ARG 20 -12.780 -6.086 -16.318 882 2HH1 ARG 20 HH22 ARG 20 -13.906 -7.392 -16.149 883 1HH2 ARG 20 HH11 ARG 20 -15.488 -6.772 -19.171 884 2HH2 ARG 20 HH12 ARG 20 -15.440 -7.778 -17.762 885 H GLU 21 HN GLU 21 -11.681 0.300 -19.137 886 HA GLU 21 HA GLU 21 -12.517 0.636 -21.907 887 1HB GLU 21 HB2 GLU 21 -13.922 -1.272 -21.272 888 2HB GLU 21 HB1 GLU 21 -14.553 -0.364 -19.899 889 1HG GLU 21 HG2 GLU 21 -15.521 1.305 -21.415 890 2HG GLU 21 HG1 GLU 21 -14.826 0.465 -22.802 891 H GLY 22 HN GLY 22 -12.467 2.788 -22.066 892 1HA GLY 22 HA2 GLY 22 -12.495 5.060 -21.361 893 2HA GLY 22 HA1 GLY 22 -14.204 4.663 -21.239 894 H ASP 23 HN ASP 23 -11.548 3.547 -19.125 895 HA ASP 23 HA ASP 23 -12.611 5.251 -16.919 896 1HB ASP 23 HB2 ASP 23 -12.434 2.227 -16.899 897 2HB ASP 23 HB1 ASP 23 -12.535 3.187 -15.422 898 H LYS 24 HN LYS 24 -10.519 6.340 -17.196 899 HA LYS 24 HA LYS 24 -8.102 4.704 -16.650 900 1HB LYS 24 HB2 LYS 24 -8.006 7.696 -16.949 901 2HB LYS 24 HB1 LYS 24 -6.857 6.478 -17.500 902 1HG LYS 24 HG2 LYS 24 -9.598 6.990 -18.703 903 2HG LYS 24 HG1 LYS 24 -8.075 7.522 -19.388 904 1HD LYS 24 HD2 LYS 24 -8.746 4.607 -18.871 905 2HD LYS 24 HD1 LYS 24 -9.016 5.410 -20.410 906 1HE LYS 24 HE2 LYS 24 -6.397 4.773 -19.059 907 2HE LYS 24 HE1 LYS 24 -6.916 4.398 -20.701 908 1HZ LYS 24 HZ1 LYS 24 -6.899 6.821 -21.147 909 2HZ LYS 24 HZ3 LYS 24 -6.210 7.067 -19.618 910 3HZ LYS 24 HZ2 LYS 24 -5.366 6.180 -20.795 911 H HIS 25 HN HIS 25 -9.917 7.408 -15.164 912 HA HIS 25 HA HIS 25 -8.234 7.083 -12.705 913 1HB HIS 25 HB2 HIS 25 -8.964 9.384 -12.145 914 2HB HIS 25 HB1 HIS 25 -8.098 9.305 -13.677 915 HD1 HIS 25 HD1 HIS 25 -11.244 10.432 -12.206 916 HD2 HIS 25 HD2 HIS 25 -9.956 9.294 -16.008 917 HE1 HIS 25 HE1 HIS 25 -12.961 11.322 -13.843 918 HE2 HIS 25 HE2 HIS 25 -12.191 10.631 -16.159 919 H LYS 26 HN LYS 26 -10.896 5.711 -13.642 920 HA LYS 26 HA LYS 26 -12.150 5.908 -10.943 921 1HB LYS 26 HB2 LYS 26 -13.595 6.231 -13.584 922 2HB LYS 26 HB1 LYS 26 -14.422 5.766 -12.098 923 1HG LYS 26 HG2 LYS 26 -13.582 7.821 -11.001 924 2HG LYS 26 HG1 LYS 26 -12.808 8.300 -12.512 925 1HD LYS 26 HD2 LYS 26 -14.960 8.401 -13.643 926 2HD LYS 26 HD1 LYS 26 -15.777 7.766 -12.214 927 1HE LYS 26 HE2 LYS 26 -14.158 10.313 -12.101 928 2HE LYS 26 HE1 LYS 26 -15.858 10.317 -12.569 929 1HZ LYS 26 HZ1 LYS 26 -15.483 8.741 -10.252 930 2HZ LYS 26 HZ3 LYS 26 -14.821 10.284 -10.008 931 3HZ LYS 26 HZ2 LYS 26 -16.449 10.123 -10.462 932 H LEU 27 HN LEU 27 -13.036 3.953 -10.242 933 HA LEU 27 HA LEU 27 -12.744 1.607 -12.090 934 1HB LEU 27 HB2 LEU 27 -11.109 2.062 -9.946 935 2HB LEU 27 HB1 LEU 27 -12.406 1.182 -9.144 936 HG LEU 27 HG LEU 27 -12.141 -0.499 -11.153 937 1HD1 LEU 27 HD12 LEU 27 -10.548 0.998 -12.394 938 2HD1 LEU 27 HD11 LEU 27 -9.385 0.766 -11.093 939 3HD1 LEU 27 HD13 LEU 27 -9.888 -0.605 -12.078 940 1HD2 LEU 27 HD22 LEU 27 -10.283 -0.197 -8.790 941 2HD2 LEU 27 HD21 LEU 27 -11.655 -1.291 -8.974 942 3HD2 LEU 27 HD23 LEU 27 -10.165 -1.586 -9.872 943 H LYS 28 HN LYS 28 -14.580 0.436 -12.289 944 HA LYS 28 HA LYS 28 -16.840 1.021 -10.404 945 1HB LYS 28 HB2 LYS 28 -18.277 0.193 -12.305 946 2HB LYS 28 HB1 LYS 28 -17.413 1.693 -12.624 947 1HG LYS 28 HG2 LYS 28 -15.610 0.279 -13.742 948 2HG LYS 28 HG1 LYS 28 -16.727 -1.082 -13.622 949 1HD LYS 28 HD2 LYS 28 -18.431 0.255 -14.851 950 2HD LYS 28 HD1 LYS 28 -17.242 1.543 -15.041 951 1HE LYS 28 HE2 LYS 28 -15.736 -0.107 -16.192 952 2HE LYS 28 HE1 LYS 28 -17.060 -1.272 -16.140 953 1HZ LYS 28 HZ1 LYS 28 -18.437 0.391 -17.322 954 2HZ LYS 28 HZ3 LYS 28 -17.061 1.369 -17.495 955 3HZ LYS 28 HZ2 LYS 28 -17.113 -0.160 -18.234 956 H LYS 29 HN LYS 29 -18.512 -0.927 -10.670 957 HA LYS 29 HA LYS 29 -17.504 -3.071 -9.136 958 1HB LYS 29 HB2 LYS 29 -19.983 -2.818 -10.835 959 2HB LYS 29 HB1 LYS 29 -19.683 -4.189 -9.771 960 1HG LYS 29 HG2 LYS 29 -19.557 -2.742 -7.836 961 2HG LYS 29 HG1 LYS 29 -19.684 -1.302 -8.842 962 1HD LYS 29 HD2 LYS 29 -21.861 -3.389 -8.965 963 2HD LYS 29 HD1 LYS 29 -21.827 -2.254 -7.618 964 1HE LYS 29 HE2 LYS 29 -22.074 -0.375 -9.042 965 2HE LYS 29 HE1 LYS 29 -21.672 -1.304 -10.482 966 1HZ LYS 29 HZ1 LYS 29 -23.712 -2.639 -10.027 967 2HZ LYS 29 HZ3 LYS 29 -24.124 -1.506 -8.833 968 3HZ LYS 29 HZ2 LYS 29 -24.002 -1.021 -10.457 969 H SER 30 HN SER 30 -18.054 -2.954 -12.678 970 HA SER 30 HA SER 30 -17.661 -5.726 -13.152 971 1HB SER 30 HB2 SER 30 -16.977 -3.375 -14.934 972 2HB SER 30 HB1 SER 30 -17.068 -5.052 -15.466 973 HG SER 30 HG SER 30 -19.045 -3.272 -15.113 974 H GLU 31 HN GLU 31 -15.272 -3.099 -12.986 975 HA GLU 31 HA GLU 31 -13.046 -4.829 -13.647 976 1HB GLU 31 HB2 GLU 31 -13.229 -2.081 -12.424 977 2HB GLU 31 HB1 GLU 31 -11.689 -2.881 -12.746 978 1HG GLU 31 HG2 GLU 31 -12.165 -3.016 -15.097 979 2HG GLU 31 HG1 GLU 31 -13.827 -2.477 -14.852 980 H LEU 32 HN LEU 32 -14.434 -3.645 -10.603 981 HA LEU 32 HA LEU 32 -12.418 -4.622 -8.853 982 1HB LEU 32 HB2 LEU 32 -14.250 -3.105 -8.162 983 2HB LEU 32 HB1 LEU 32 -15.415 -4.399 -8.410 984 HG LEU 32 HG LEU 32 -14.199 -5.747 -6.667 985 1HD1 LEU 32 HD11 LEU 32 -12.579 -3.206 -6.531 986 2HD1 LEU 32 HD13 LEU 32 -12.759 -4.234 -5.108 987 3HD1 LEU 32 HD12 LEU 32 -12.018 -4.878 -6.571 988 1HD2 LEU 32 HD23 LEU 32 -15.268 -3.024 -5.864 989 2HD2 LEU 32 HD22 LEU 32 -16.208 -4.499 -6.083 990 3HD2 LEU 32 HD21 LEU 32 -15.053 -4.380 -4.757 991 H LYS 33 HN LYS 33 -15.284 -6.187 -10.206 992 HA LYS 33 HA LYS 33 -15.124 -8.637 -8.772 993 1HB LYS 33 HB2 LYS 33 -17.087 -7.906 -10.076 994 2HB LYS 33 HB1 LYS 33 -16.169 -8.095 -11.567 995 1HG LYS 33 HG2 LYS 33 -15.910 -10.510 -11.100 996 2HG LYS 33 HG1 LYS 33 -16.834 -10.315 -9.609 997 1HD LYS 33 HD2 LYS 33 -18.737 -9.414 -10.989 998 2HD LYS 33 HD1 LYS 33 -17.820 -9.837 -12.435 999 1HE LYS 33 HE2 LYS 33 -17.689 -12.210 -11.482 1000 2HE LYS 33 HE1 LYS 33 -18.909 -11.699 -10.316 1001 1HZ LYS 33 HZ1 LYS 33 -19.987 -10.836 -12.598 1002 2HZ LYS 33 HZ3 LYS 33 -19.165 -12.210 -13.160 1003 3HZ LYS 33 HZ2 LYS 33 -20.315 -12.358 -11.919 1004 H GLU 34 HN GLU 34 -13.633 -7.665 -11.872 1005 HA GLU 34 HA GLU 34 -12.584 -10.254 -12.495 1006 1HB GLU 34 HB2 GLU 34 -12.791 -8.318 -14.098 1007 2HB GLU 34 HB1 GLU 34 -11.387 -7.597 -13.312 1008 1HG GLU 34 HG2 GLU 34 -9.992 -9.470 -13.920 1009 2HG GLU 34 HG1 GLU 34 -11.384 -10.383 -14.501 1010 H LEU 35 HN LEU 35 -11.150 -7.533 -10.689 1011 HA LEU 35 HA LEU 35 -8.553 -8.730 -10.442 1012 1HB LEU 35 HB2 LEU 35 -10.024 -6.571 -8.947 1013 2HB LEU 35 HB1 LEU 35 -8.467 -7.137 -8.351 1014 HG LEU 35 HG LEU 35 -8.795 -6.313 -11.242 1015 1HD1 LEU 35 HD11 LEU 35 -8.357 -4.544 -8.827 1016 2HD1 LEU 35 HD13 LEU 35 -7.865 -4.060 -10.451 1017 3HD1 LEU 35 HD12 LEU 35 -9.565 -4.364 -10.098 1018 1HD2 LEU 35 HD22 LEU 35 -6.477 -6.485 -9.286 1019 2HD2 LEU 35 HD21 LEU 35 -6.702 -7.414 -10.766 1020 3HD2 LEU 35 HD23 LEU 35 -6.351 -5.693 -10.851 1021 H ILE 36 HN ILE 36 -11.433 -8.888 -8.348 1022 HA ILE 36 HA ILE 36 -10.128 -10.287 -6.218 1023 HB ILE 36 HB ILE 36 -13.031 -10.164 -7.050 1024 1HG1 ILE 36 HG12 ILE 36 -11.552 -8.882 -4.731 1025 2HG1 ILE 36 HG11 ILE 36 -11.822 -8.074 -6.274 1026 1HG2 ILE 36 HG22 ILE 36 -11.688 -11.472 -4.676 1027 2HG2 ILE 36 HG21 ILE 36 -13.368 -10.943 -4.616 1028 3HG2 ILE 36 HG23 ILE 36 -12.872 -12.172 -5.779 1029 1HD1 ILE 36 HD13 ILE 36 -14.322 -8.612 -5.904 1030 2HD1 ILE 36 HD12 ILE 36 -13.866 -8.945 -4.234 1031 3HD1 ILE 36 HD11 ILE 36 -13.610 -7.339 -4.914 1032 H ASN 37 HN ASN 37 -11.851 -11.468 -9.096 1033 HA ASN 37 HA ASN 37 -11.564 -14.258 -8.293 1034 1HB ASN 37 HB2 ASN 37 -13.442 -13.567 -9.701 1035 2HB ASN 37 HB1 ASN 37 -12.326 -13.018 -10.950 1036 1HD2 ASN 37 HD22 ASN 37 -12.352 -17.083 -10.296 1037 2HD2 ASN 37 HD21 ASN 37 -12.383 -16.035 -8.962 1038 H ASN 38 HN ASN 38 -9.562 -11.973 -9.962 1039 HA ASN 38 HA ASN 38 -8.107 -13.800 -11.614 1040 1HB ASN 38 HB2 ASN 38 -8.081 -11.276 -11.768 1041 2HB ASN 38 HB1 ASN 38 -7.000 -11.279 -10.375 1042 1HD2 ASN 38 HD22 ASN 38 -4.690 -11.319 -13.219 1043 2HD2 ASN 38 HD21 ASN 38 -5.696 -10.220 -12.407 1044 H GLU 39 HN GLU 39 -6.992 -12.371 -8.468 1045 HA GLU 39 HA GLU 39 -5.755 -14.994 -7.837 1046 1HB GLU 39 HB2 GLU 39 -3.544 -13.955 -7.381 1047 2HB GLU 39 HB1 GLU 39 -3.978 -13.915 -9.086 1048 1HG GLU 39 HG2 GLU 39 -4.670 -11.555 -7.336 1049 2HG GLU 39 HG1 GLU 39 -3.018 -11.745 -7.911 1050 H LEU 40 HN LEU 40 -7.831 -13.043 -6.661 1051 HA LEU 40 HA LEU 40 -6.643 -12.985 -3.901 1052 1HB LEU 40 HB2 LEU 40 -8.024 -10.851 -5.465 1053 2HB LEU 40 HB1 LEU 40 -8.443 -10.950 -3.757 1054 HG LEU 40 HG LEU 40 -5.544 -10.949 -4.612 1055 1HD1 LEU 40 HD13 LEU 40 -7.371 -8.555 -4.266 1056 2HD1 LEU 40 HD12 LEU 40 -5.611 -8.449 -4.221 1057 3HD1 LEU 40 HD11 LEU 40 -6.425 -8.978 -5.694 1058 1HD2 LEU 40 HD23 LEU 40 -6.161 -11.475 -2.248 1059 2HD2 LEU 40 HD22 LEU 40 -5.243 -9.978 -2.371 1060 3HD2 LEU 40 HD21 LEU 40 -6.989 -9.923 -2.143 1061 H SER 41 HN SER 41 -8.607 -14.770 -5.560 1062 HA SER 41 HA SER 41 -11.140 -14.537 -4.193 1063 1HB SER 41 HB2 SER 41 -11.600 -16.773 -5.140 1064 2HB SER 41 HB1 SER 41 -10.934 -15.689 -6.357 1065 HG SER 41 HG SER 41 -9.979 -17.850 -6.218 1066 H HIS 42 HN HIS 42 -8.185 -16.405 -3.565 1067 HA HIS 42 HA HIS 42 -9.233 -18.120 -1.552 1068 1HB HIS 42 HB2 HIS 42 -6.457 -17.006 -2.001 1069 2HB HIS 42 HB1 HIS 42 -6.817 -18.171 -0.729 1070 HD1 HIS 42 HD1 HIS 42 -5.382 -20.006 -1.926 1071 HD2 HIS 42 HD2 HIS 42 -8.620 -18.640 -4.171 1072 HE1 HIS 42 HE1 HIS 42 -5.669 -21.641 -3.841 1073 HE2 HIS 42 HE2 HIS 42 -7.636 -20.819 -5.214 1074 H PHE 43 HN PHE 43 -7.882 -14.827 -1.259 1075 HA PHE 43 HA PHE 43 -7.854 -14.759 1.590 1076 1HB PHE 43 HB2 PHE 43 -8.030 -12.637 -0.547 1077 2HB PHE 43 HB1 PHE 43 -8.135 -12.193 1.158 1078 HD1 PHE 43 HD2 PHE 43 -5.992 -13.812 -1.408 1079 HD2 PHE 43 HD1 PHE 43 -6.212 -12.257 2.590 1080 HE1 PHE 43 HE2 PHE 43 -3.530 -13.991 -1.201 1081 HE2 PHE 43 HE1 PHE 43 -3.747 -12.433 2.795 1082 HZ PHE 43 HZ PHE 43 -2.404 -13.299 0.898 1083 H LEU 44 HN LEU 44 -10.424 -13.726 -0.684 1084 HA LEU 44 HA LEU 44 -12.259 -13.339 1.622 1085 1HB LEU 44 HB2 LEU 44 -12.690 -12.882 -1.347 1086 2HB LEU 44 HB1 LEU 44 -13.814 -12.437 -0.065 1087 HG LEU 44 HG LEU 44 -10.986 -11.376 -0.363 1088 1HD1 LEU 44 HD13 LEU 44 -13.693 -10.119 -0.897 1089 2HD1 LEU 44 HD12 LEU 44 -12.170 -9.230 -0.875 1090 3HD1 LEU 44 HD11 LEU 44 -12.445 -10.479 -2.091 1091 1HD2 LEU 44 HD22 LEU 44 -13.134 -11.033 1.724 1092 2HD2 LEU 44 HD21 LEU 44 -11.394 -11.219 1.937 1093 3HD2 LEU 44 HD23 LEU 44 -12.053 -9.684 1.379 1094 H GLU 45 HN GLU 45 -12.801 -14.820 -1.581 1095 HA GLU 45 HA GLU 45 -13.876 -16.812 -2.158 1096 1HB GLU 45 HB2 GLU 45 -12.102 -17.500 -0.190 1097 2HB GLU 45 HB1 GLU 45 -13.606 -18.009 0.568 1098 1HG GLU 45 HG2 GLU 45 -12.631 -18.848 -2.184 1099 2HG GLU 45 HG1 GLU 45 -12.625 -19.853 -0.734 1100 H GLU 46 HN GLU 46 -15.008 -14.600 -0.071 1101 HA GLU 46 HA GLU 46 -17.454 -16.071 0.749 1102 1HB GLU 46 HB2 GLU 46 -16.000 -14.233 2.097 1103 2HB GLU 46 HB1 GLU 46 -17.121 -13.138 1.297 1104 1HG GLU 46 HG2 GLU 46 -17.945 -15.538 2.968 1105 2HG GLU 46 HG1 GLU 46 -17.930 -13.870 3.540 1106 H ILE 47 HN ILE 47 -16.387 -14.494 -1.957 1107 HA ILE 47 HA ILE 47 -18.794 -12.955 -2.563 1108 HB ILE 47 HB ILE 47 -16.591 -13.883 -4.428 1109 1HG1 ILE 47 HG12 ILE 47 -15.937 -12.433 -2.360 1110 2HG1 ILE 47 HG11 ILE 47 -15.383 -11.923 -3.948 1111 1HG2 ILE 47 HG23 ILE 47 -18.781 -11.812 -4.650 1112 2HG2 ILE 47 HG22 ILE 47 -17.367 -11.811 -5.703 1113 3HG2 ILE 47 HG21 ILE 47 -18.471 -13.186 -5.712 1114 1HD1 ILE 47 HD12 ILE 47 -18.005 -10.856 -2.942 1115 2HD1 ILE 47 HD11 ILE 47 -16.509 -10.186 -2.300 1116 3HD1 ILE 47 HD13 ILE 47 -16.835 -10.114 -4.029 1117 H LYS 48 HN LYS 48 -20.612 -13.718 -3.491 1118 HA LYS 48 HA LYS 48 -20.547 -16.109 -5.203 1119 1HB LYS 48 HB2 LYS 48 -20.893 -16.621 -2.565 1120 2HB LYS 48 HB1 LYS 48 -22.563 -16.252 -2.980 1121 1HG LYS 48 HG2 LYS 48 -20.828 -18.298 -4.405 1122 2HG LYS 48 HG1 LYS 48 -22.055 -18.675 -3.197 1123 1HD LYS 48 HD2 LYS 48 -23.696 -17.396 -4.716 1124 2HD LYS 48 HD1 LYS 48 -22.444 -17.504 -5.952 1125 1HE LYS 48 HE2 LYS 48 -23.539 -19.914 -4.479 1126 2HE LYS 48 HE1 LYS 48 -24.143 -19.365 -6.041 1127 1HZ LYS 48 HZ1 LYS 48 -21.591 -19.427 -6.605 1128 2HZ LYS 48 HZ3 LYS 48 -21.575 -20.586 -5.367 1129 3HZ LYS 48 HZ2 LYS 48 -22.562 -20.815 -6.730 1130 H GLU 49 HN GLU 49 -22.440 -13.602 -3.561 1131 HA GLU 49 HA GLU 49 -24.398 -13.614 -5.830 1132 1HB GLU 49 HB2 GLU 49 -24.590 -12.578 -2.992 1133 2HB GLU 49 HB1 GLU 49 -25.805 -12.255 -4.229 1134 1HG GLU 49 HG2 GLU 49 -26.135 -14.680 -4.544 1135 2HG GLU 49 HG1 GLU 49 -24.924 -15.005 -3.303 1136 H GLN 50 HN GLN 50 -24.793 -11.710 -6.956 1137 HA GLN 50 HA GLN 50 -22.643 -9.806 -7.141 1138 1HB GLN 50 HB2 GLN 50 -25.463 -9.796 -8.252 1139 2HB GLN 50 HB1 GLN 50 -24.257 -8.573 -8.647 1140 1HG GLN 50 HG2 GLN 50 -23.834 -11.545 -9.059 1141 2HG GLN 50 HG1 GLN 50 -24.398 -10.451 -10.322 1142 1HE2 GLN 50 HE22 GLN 50 -20.514 -10.783 -9.951 1143 2HE2 GLN 50 HE21 GLN 50 -21.674 -11.975 -9.609 1144 H GLU 51 HN GLU 51 -25.665 -9.861 -5.366 1145 HA GLU 51 HA GLU 51 -25.936 -7.086 -4.823 1146 1HB GLU 51 HB2 GLU 51 -27.682 -8.751 -4.294 1147 2HB GLU 51 HB1 GLU 51 -26.645 -9.443 -3.049 1148 1HG GLU 51 HG2 GLU 51 -26.667 -7.305 -1.822 1149 2HG GLU 51 HG1 GLU 51 -27.680 -6.591 -3.079 1150 H VAL 52 HN VAL 52 -24.034 -9.589 -3.168 1151 HA VAL 52 HA VAL 52 -23.219 -8.030 -0.940 1152 HB VAL 52 HB VAL 52 -21.853 -10.297 -2.412 1153 1HG1 VAL 52 HG12 VAL 52 -21.079 -8.857 0.135 1154 2HG1 VAL 52 HG11 VAL 52 -20.536 -10.495 -0.229 1155 3HG1 VAL 52 HG13 VAL 52 -20.078 -9.159 -1.285 1156 1HG2 VAL 52 HG21 VAL 52 -24.043 -10.715 -1.240 1157 2HG2 VAL 52 HG23 VAL 52 -22.698 -11.647 -0.582 1158 3HG2 VAL 52 HG22 VAL 52 -23.275 -10.212 0.265 1159 H VAL 53 HN VAL 53 -21.752 -8.328 -4.191 1160 HA VAL 53 HA VAL 53 -19.430 -6.766 -3.642 1161 HB VAL 53 HB VAL 53 -21.005 -7.179 -6.200 1162 1HG1 VAL 53 HG11 VAL 53 -18.364 -5.770 -5.731 1163 2HG1 VAL 53 HG13 VAL 53 -18.862 -6.379 -7.308 1164 3HG1 VAL 53 HG12 VAL 53 -19.803 -5.118 -6.515 1165 1HG2 VAL 53 HG23 VAL 53 -18.460 -8.367 -5.062 1166 2HG2 VAL 53 HG22 VAL 53 -19.978 -9.206 -5.382 1167 3HG2 VAL 53 HG21 VAL 53 -18.996 -8.617 -6.723 1168 H ASP 54 HN ASP 54 -22.686 -5.813 -4.695 1169 HA ASP 54 HA ASP 54 -22.139 -3.048 -5.119 1170 1HB ASP 54 HB2 ASP 54 -24.685 -4.417 -4.203 1171 2HB ASP 54 HB1 ASP 54 -24.590 -2.754 -4.783 1172 H LYS 55 HN LYS 55 -23.143 -4.803 -2.202 1173 HA LYS 55 HA LYS 55 -23.500 -2.521 -0.526 1174 1HB LYS 55 HB2 LYS 55 -24.283 -4.854 -0.030 1175 2HB LYS 55 HB1 LYS 55 -22.610 -5.291 0.314 1176 1HG LYS 55 HG2 LYS 55 -22.522 -3.577 2.087 1177 2HG LYS 55 HG1 LYS 55 -24.198 -3.138 1.748 1178 1HD LYS 55 HD2 LYS 55 -24.914 -5.435 2.301 1179 2HD LYS 55 HD1 LYS 55 -23.241 -5.875 2.644 1180 1HE LYS 55 HE2 LYS 55 -23.151 -4.520 4.569 1181 2HE LYS 55 HE1 LYS 55 -24.545 -3.559 4.072 1182 1HZ LYS 55 HZ2 LYS 55 -25.104 -6.369 4.335 1183 2HZ LYS 55 HZ1 LYS 55 -24.627 -5.637 5.793 1184 3HZ LYS 55 HZ3 LYS 55 -25.959 -5.030 4.936 1185 H VAL 56 HN VAL 56 -20.643 -4.516 -1.200 1186 HA VAL 56 HA VAL 56 -18.935 -3.361 0.761 1187 HB VAL 56 HB VAL 56 -18.320 -4.579 -1.944 1188 1HG1 VAL 56 HG12 VAL 56 -16.502 -3.687 0.303 1189 2HG1 VAL 56 HG11 VAL 56 -16.007 -4.879 -0.899 1190 3HG1 VAL 56 HG13 VAL 56 -16.418 -3.238 -1.401 1191 1HG2 VAL 56 HG23 VAL 56 -19.395 -6.053 -0.246 1192 2HG2 VAL 56 HG22 VAL 56 -17.746 -6.554 -0.618 1193 3HG2 VAL 56 HG21 VAL 56 -18.086 -5.679 0.874 1194 H MET 57 HN MET 57 -19.604 -2.388 -2.593 1195 HA MET 57 HA MET 57 -17.651 -0.317 -2.753 1196 1HB MET 57 HB2 MET 57 -20.314 -0.657 -4.147 1197 2HB MET 57 HB1 MET 57 -19.141 0.587 -4.570 1198 1HG MET 57 HG2 MET 57 -18.483 -2.368 -4.505 1199 2HG MET 57 HG1 MET 57 -18.984 -1.516 -5.961 1200 1HE MET 57 HE1 MET 57 -17.758 -0.105 -7.327 1201 2HE MET 57 HE3 MET 57 -17.597 1.229 -6.176 1202 3HE MET 57 HE2 MET 57 -16.187 0.635 -7.046 1203 H GLU 58 HN GLU 58 -21.022 -0.237 -1.621 1204 HA GLU 58 HA GLU 58 -21.116 2.616 -1.313 1205 1HB GLU 58 HB2 GLU 58 -23.065 0.911 -1.363 1206 2HB GLU 58 HB1 GLU 58 -22.733 0.687 0.354 1207 1HG GLU 58 HG2 GLU 58 -23.283 3.378 -0.938 1208 2HG GLU 58 HG1 GLU 58 -24.498 2.414 -0.100 1209 H THR 59 HN THR 59 -20.240 0.004 0.933 1210 HA THR 59 HA THR 59 -19.956 1.692 3.246 1211 HB THR 59 HB THR 59 -18.658 -0.967 2.603 1212 HG1 THR 59 HG1 THR 59 -20.601 -1.636 2.923 1213 1HG2 THR 59 HG21 THR 59 -18.822 0.693 5.119 1214 2HG2 THR 59 HG23 THR 59 -18.605 -1.055 5.183 1215 3HG2 THR 59 HG22 THR 59 -17.401 -0.047 4.380 1216 H LEU 60 HN LEU 60 -17.645 0.613 0.775 1217 HA LEU 60 HA LEU 60 -15.331 1.719 2.066 1218 1HB LEU 60 HB2 LEU 60 -15.399 0.000 0.163 1219 2HB LEU 60 HB1 LEU 60 -15.697 1.356 -0.916 1220 HG LEU 60 HG LEU 60 -13.586 2.428 0.079 1221 1HD1 LEU 60 HD11 LEU 60 -13.423 -0.346 1.256 1222 2HD1 LEU 60 HD13 LEU 60 -11.950 0.530 0.848 1223 3HD1 LEU 60 HD12 LEU 60 -13.078 1.205 2.017 1224 1HD2 LEU 60 HD23 LEU 60 -13.589 -0.050 -1.647 1225 2HD2 LEU 60 HD22 LEU 60 -13.438 1.635 -2.144 1226 3HD2 LEU 60 HD21 LEU 60 -12.098 0.835 -1.323 1227 H ASP 61 HN ASP 61 -17.913 3.138 0.269 1228 HA ASP 61 HA ASP 61 -16.478 5.475 -0.666 1229 1HB ASP 61 HB2 ASP 61 -18.584 4.660 -1.694 1230 2HB ASP 61 HB1 ASP 61 -19.451 5.086 -0.218 1231 H GLU 62 HN GLU 62 -15.399 6.126 1.373 1232 HA GLU 62 HA GLU 62 -17.133 7.226 3.506 1233 1HB GLU 62 HB2 GLU 62 -14.146 6.951 3.145 1234 2HB GLU 62 HB1 GLU 62 -14.818 7.961 4.424 1235 1HG GLU 62 HG2 GLU 62 -16.074 6.033 5.303 1236 2HG GLU 62 HG1 GLU 62 -15.421 5.016 4.017 1237 H ASP 63 HN ASP 63 -15.405 8.279 0.676 1238 HA ASP 63 HA ASP 63 -15.369 11.105 1.452 1239 1HB ASP 63 HB2 ASP 63 -14.567 11.464 -0.875 1240 2HB ASP 63 HB1 ASP 63 -13.616 10.247 -0.023 1241 H GLY 64 HN GLY 64 -17.820 9.074 0.494 1242 1HA GLY 64 HA2 GLY 64 -20.027 9.549 -0.166 1243 2HA GLY 64 HA1 GLY 64 -19.643 11.256 0.035 1244 H ASP 65 HN ASP 65 -17.844 9.130 -2.127 1245 HA ASP 65 HA ASP 65 -18.635 10.882 -4.393 1246 1HB ASP 65 HB2 ASP 65 -16.267 10.544 -4.162 1247 2HB ASP 65 HB1 ASP 65 -16.468 8.797 -4.038 1248 H GLY 66 HN GLY 66 -18.796 7.467 -3.395 1249 1HA GLY 66 HA2 GLY 66 -20.524 5.953 -4.063 1250 2HA GLY 66 HA1 GLY 66 -20.979 7.062 -5.352 1251 H GLU 67 HN GLU 67 -17.703 6.842 -5.583 1252 HA GLU 67 HA GLU 67 -17.721 4.352 -7.254 1253 1HB GLU 67 HB2 GLU 67 -16.630 7.068 -8.068 1254 2HB GLU 67 HB1 GLU 67 -16.367 5.572 -8.959 1255 1HG GLU 67 HG2 GLU 67 -19.118 6.666 -8.319 1256 2HG GLU 67 HG1 GLU 67 -18.269 6.993 -9.830 1257 H CYS 68 HN CYS 68 -15.522 3.467 -7.526 1258 HA CYS 68 HA CYS 68 -13.848 4.054 -5.146 1259 1HB CYS 68 HB2 CYS 68 -13.859 1.834 -7.202 1260 2HB CYS 68 HB1 CYS 68 -12.572 2.008 -6.009 1261 HG CYS 68 HG CYS 68 -15.197 0.748 -5.430 1262 H ASP 69 HN ASP 69 -12.452 5.752 -5.482 1263 HA ASP 69 HA ASP 69 -11.228 6.146 -8.151 1264 1HB ASP 69 HB2 ASP 69 -11.058 7.743 -5.578 1265 2HB ASP 69 HB1 ASP 69 -10.167 8.149 -7.041 1266 H PHE 70 HN PHE 70 -8.809 6.588 -8.155 1267 HA PHE 70 HA PHE 70 -7.390 4.284 -7.292 1268 1HB PHE 70 HB2 PHE 70 -6.659 5.758 -9.146 1269 2HB PHE 70 HB1 PHE 70 -6.298 7.029 -7.979 1270 HD1 PHE 70 HD2 PHE 70 -5.565 3.394 -8.566 1271 HD2 PHE 70 HD1 PHE 70 -4.094 7.190 -7.191 1272 HE1 PHE 70 HE2 PHE 70 -3.324 2.396 -8.205 1273 HE2 PHE 70 HE1 PHE 70 -1.852 6.192 -6.833 1274 HZ PHE 70 HZ PHE 70 -1.467 3.795 -7.340 1275 H GLN 71 HN GLN 71 -7.692 7.511 -5.843 1276 HA GLN 71 HA GLN 71 -5.766 7.208 -3.782 1277 1HB GLN 71 HB2 GLN 71 -6.835 9.354 -4.363 1278 2HB GLN 71 HB1 GLN 71 -8.368 8.761 -3.726 1279 1HG GLN 71 HG2 GLN 71 -7.459 8.595 -1.496 1280 2HG GLN 71 HG1 GLN 71 -5.833 8.949 -2.080 1281 1HE2 GLN 71 HE22 GLN 71 -6.357 12.374 -1.516 1282 2HE2 GLN 71 HE21 GLN 71 -5.330 11.030 -1.381 1283 H GLU 72 HN GLU 72 -9.298 6.538 -3.638 1284 HA GLU 72 HA GLU 72 -9.151 5.517 -0.933 1285 1HB GLU 72 HB2 GLU 72 -11.421 4.376 -2.327 1286 2HB GLU 72 HB1 GLU 72 -11.420 5.665 -1.127 1287 1HG GLU 72 HG2 GLU 72 -10.890 7.299 -2.926 1288 2HG GLU 72 HG1 GLU 72 -10.983 5.986 -4.100 1289 H PHE 73 HN PHE 73 -8.649 4.146 -4.095 1290 HA PHE 73 HA PHE 73 -9.022 1.395 -3.511 1291 1HB PHE 73 HB2 PHE 73 -8.626 2.433 -5.787 1292 2HB PHE 73 HB1 PHE 73 -6.916 2.532 -5.365 1293 HD1 PHE 73 HD1 PHE 73 -9.746 0.071 -5.376 1294 HD2 PHE 73 HD2 PHE 73 -5.529 0.710 -5.896 1295 HE1 PHE 73 HE1 PHE 73 -9.469 -2.301 -6.037 1296 HE2 PHE 73 HE2 PHE 73 -5.253 -1.666 -6.556 1297 HZ PHE 73 HZ PHE 73 -7.225 -3.171 -6.626 1298 H MET 74 HN MET 74 -6.071 3.397 -3.244 1299 HA MET 74 HA MET 74 -4.364 1.312 -2.320 1300 1HB MET 74 HB2 MET 74 -4.285 4.267 -1.633 1301 2HB MET 74 HB1 MET 74 -2.960 3.125 -1.405 1302 1HG MET 74 HG2 MET 74 -4.261 3.709 -4.078 1303 2HG MET 74 HG1 MET 74 -2.765 4.458 -3.522 1304 1HE MET 74 HE1 MET 74 -0.959 3.343 -2.581 1305 2HE MET 74 HE3 MET 74 -0.915 1.604 -2.262 1306 3HE MET 74 HE2 MET 74 -0.086 2.269 -3.665 1307 H ALA 75 HN ALA 75 -6.570 3.485 -0.601 1308 HA ALA 75 HA ALA 75 -5.831 2.780 2.051 1309 1HB ALA 75 HB3 ALA 75 -7.367 4.661 1.420 1310 2HB ALA 75 HB2 ALA 75 -8.614 3.466 1.067 1311 3HB ALA 75 HB1 ALA 75 -8.003 3.642 2.711 1312 H PHE 76 HN PHE 76 -8.011 1.182 -0.256 1313 HA PHE 76 HA PHE 76 -9.175 -0.670 1.567 1314 1HB PHE 76 HB2 PHE 76 -10.055 -0.431 -0.690 1315 2HB PHE 76 HB1 PHE 76 -8.527 -0.979 -1.381 1316 HD1 PHE 76 HD2 PHE 76 -11.410 -2.027 0.737 1317 HD2 PHE 76 HD1 PHE 76 -8.013 -3.296 -1.568 1318 HE1 PHE 76 HE2 PHE 76 -12.158 -4.385 0.932 1319 HE2 PHE 76 HE1 PHE 76 -8.761 -5.653 -1.371 1320 HZ PHE 76 HZ PHE 76 -10.832 -6.197 -0.122 1321 H VAL 77 HN VAL 77 -6.143 -0.837 -0.308 1322 HA VAL 77 HA VAL 77 -5.433 -3.495 0.450 1323 HB VAL 77 HB VAL 77 -3.724 -1.076 -0.216 1324 1HG1 VAL 77 HG11 VAL 77 -2.963 -3.948 0.350 1325 2HG1 VAL 77 HG13 VAL 77 -1.948 -2.889 -0.631 1326 3HG1 VAL 77 HG12 VAL 77 -2.282 -2.480 1.052 1327 1HG2 VAL 77 HG21 VAL 77 -4.684 -3.500 -1.761 1328 2HG2 VAL 77 HG23 VAL 77 -5.007 -1.801 -2.111 1329 3HG2 VAL 77 HG22 VAL 77 -3.383 -2.456 -2.333 1330 H SER 78 HN SER 78 -4.883 -0.356 2.025 1331 HA SER 78 HA SER 78 -3.276 -1.347 4.170 1332 1HB SER 78 HB2 SER 78 -3.492 1.059 3.622 1333 2HB SER 78 HB1 SER 78 -5.170 1.020 4.156 1334 HG SER 78 HG SER 78 -3.170 0.067 5.870 1335 H MET 79 HN MET 79 -6.814 -0.832 3.949 1336 HA MET 79 HA MET 79 -7.409 -1.644 6.611 1337 1HB MET 79 HB2 MET 79 -9.040 -1.822 4.067 1338 2HB MET 79 HB1 MET 79 -9.688 -2.205 5.662 1339 1HG MET 79 HG2 MET 79 -9.101 0.062 6.448 1340 2HG MET 79 HG1 MET 79 -8.459 0.445 4.853 1341 1HE MET 79 HE1 MET 79 -11.205 -0.801 6.919 1342 2HE MET 79 HE3 MET 79 -12.714 -0.156 6.259 1343 3HE MET 79 HE2 MET 79 -12.016 -1.631 5.595 1344 H VAL 80 HN VAL 80 -7.059 -3.544 3.629 1345 HA VAL 80 HA VAL 80 -7.825 -6.052 4.841 1346 HB VAL 80 HB VAL 80 -6.219 -5.379 2.358 1347 1HG1 VAL 80 HG11 VAL 80 -7.101 -8.057 3.464 1348 2HG1 VAL 80 HG13 VAL 80 -6.704 -7.812 1.764 1349 3HG1 VAL 80 HG12 VAL 80 -5.473 -7.564 3.000 1350 1HG2 VAL 80 HG21 VAL 80 -8.678 -4.812 2.462 1351 2HG2 VAL 80 HG23 VAL 80 -8.256 -5.962 1.193 1352 3HG2 VAL 80 HG22 VAL 80 -9.004 -6.531 2.686 1353 H THR 81 HN THR 81 -4.719 -4.410 4.319 1354 HA THR 81 HA THR 81 -3.076 -6.561 5.252 1355 HB THR 81 HB THR 81 -2.453 -3.609 5.513 1356 HG1 THR 81 HG1 THR 81 -1.823 -5.182 3.273 1357 1HG2 THR 81 HG22 THR 81 -0.867 -5.192 6.554 1358 2HG2 THR 81 HG21 THR 81 -0.731 -6.056 5.022 1359 3HG2 THR 81 HG23 THR 81 -0.148 -4.397 5.154 1360 H THR 82 HN THR 82 -4.511 -3.757 6.943 1361 HA THR 82 HA THR 82 -3.371 -4.450 9.505 1362 HB THR 82 HB THR 82 -5.038 -2.839 10.405 1363 HG1 THR 82 HG1 THR 82 -5.871 -2.203 7.844 1364 1HG2 THR 82 HG22 THR 82 -2.887 -2.075 9.418 1365 2HG2 THR 82 HG21 THR 82 -3.696 -1.888 7.864 1366 3HG2 THR 82 HG23 THR 82 -4.174 -0.884 9.232 1367 H ALA 83 HN ALA 83 -6.496 -5.129 7.947 1368 HA ALA 83 HA ALA 83 -7.768 -6.319 10.196 1369 1HB ALA 83 HB1 ALA 83 -8.907 -5.734 8.048 1370 2HB ALA 83 HB3 ALA 83 -8.095 -7.100 7.283 1371 3HB ALA 83 HB2 ALA 83 -9.256 -7.379 8.582 1372 H CYS 84 HN CYS 84 -5.800 -7.815 7.612 1373 HA CYS 84 HA CYS 84 -5.882 -10.424 8.944 1374 1HB CYS 84 HB2 CYS 84 -4.326 -11.114 7.146 1375 2HB CYS 84 HB1 CYS 84 -5.745 -10.297 6.492 1376 HG CYS 84 HG CYS 84 -4.273 -8.123 6.220 1377 H HIS 85 HN HIS 85 -4.744 -10.652 10.789 1378 HA HIS 85 HA HIS 85 -1.974 -9.494 10.938 1379 1HB HIS 85 HB2 HIS 85 -2.409 -9.527 13.455 1380 2HB HIS 85 HB1 HIS 85 -3.307 -8.319 12.534 1381 HD1 HIS 85 HD1 HIS 85 -5.781 -9.334 11.653 1382 HD2 HIS 85 HD2 HIS 85 -4.082 -11.004 15.079 1383 HE1 HIS 85 HE1 HIS 85 -7.661 -10.499 12.894 1384 HE2 HIS 85 HE2 HIS 85 -6.637 -11.517 14.978 1385 H GLU 86 HN GLU 86 -2.930 -12.160 9.973 1386 HA GLU 86 HA GLU 86 -2.334 -14.126 12.000 1387 1HB GLU 86 HB2 GLU 86 -3.668 -14.604 9.945 1388 2HB GLU 86 HB1 GLU 86 -2.199 -14.421 8.985 1389 1HG GLU 86 HG2 GLU 86 -1.138 -16.260 10.238 1390 2HG GLU 86 HG1 GLU 86 -2.595 -16.439 11.216 1391 H PHE 87 HN PHE 87 -0.390 -12.260 9.795 1392 HA PHE 87 HA PHE 87 1.885 -12.298 9.277 1393 1HB PHE 87 HB2 PHE 87 3.326 -12.095 11.155 1394 2HB PHE 87 HB1 PHE 87 1.778 -11.446 11.675 1395 HD1 PHE 87 HD2 PHE 87 0.373 -12.672 13.284 1396 HD2 PHE 87 HD1 PHE 87 4.198 -14.188 12.054 1397 HE1 PHE 87 HE2 PHE 87 0.354 -14.259 15.188 1398 HE2 PHE 87 HE1 PHE 87 4.185 -15.768 13.964 1399 HZ PHE 87 HZ PHE 87 2.261 -15.807 15.529 1400 H PHE 88 HN PHE 88 2.462 -13.907 7.911 1401 HA PHE 88 HA PHE 88 2.489 -16.713 8.791 1402 1HB PHE 88 HB2 PHE 88 3.349 -15.369 6.208 1403 2HB PHE 88 HB1 PHE 88 3.381 -17.112 6.472 1404 HD1 PHE 88 HD1 PHE 88 1.309 -18.403 6.663 1405 HD2 PHE 88 HD2 PHE 88 1.238 -14.156 6.016 1406 HE1 PHE 88 HE1 PHE 88 -1.091 -18.537 6.055 1407 HE2 PHE 88 HE2 PHE 88 -1.164 -14.289 5.410 1408 HZ PHE 88 HZ PHE 88 -2.327 -16.480 5.428 1409 H GLU 89 HN GLU 89 4.235 -17.596 9.810 1410 HA GLU 89 HA GLU 89 6.837 -16.138 9.716 1411 1HB GLU 89 HB2 GLU 89 5.779 -16.804 11.916 1412 2HB GLU 89 HB1 GLU 89 6.046 -18.487 11.460 1413 1HG GLU 89 HG2 GLU 89 7.915 -17.816 12.822 1414 2HG GLU 89 HG1 GLU 89 8.493 -17.917 11.160 1415 H HIS 90 HN HIS 90 7.876 -16.812 7.848 1416 HA HIS 90 HA HIS 90 7.774 -19.529 6.869 1417 1HB HIS 90 HB2 HIS 90 9.868 -17.427 6.257 1418 2HB HIS 90 HB1 HIS 90 9.441 -18.825 5.268 1419 HD1 HIS 90 HD1 HIS 90 7.933 -15.574 6.542 1420 HD2 HIS 90 HD2 HIS 90 7.281 -18.411 3.554 1421 HE1 HIS 90 HE1 HIS 90 6.099 -14.646 5.058 1422 HE2 HIS 90 HE2 HIS 90 5.695 -16.365 3.237 1423 H GLU 91 HN GLU 91 9.441 -21.131 6.985 1424 HA GLU 91 HA GLU 91 10.976 -21.037 9.493 1425 1HB GLU 91 HB2 GLU 91 10.661 -23.148 7.343 1426 2HB GLU 91 HB1 GLU 91 11.676 -23.359 8.770 1427 1HG GLU 91 HG2 GLU 91 9.719 -22.972 10.225 1428 2HG GLU 91 HG1 GLU 91 8.702 -22.765 8.798 No H/Q in entry = 1428 Start of MODEL 6 1 1H MET 0 HT3 MET 0 14.191 -4.394 1.897 2 2H MET 0 HT2 MET 0 13.650 -5.993 1.696 3 3H MET 0 HT1 MET 0 14.916 -5.652 2.777 4 HA MET 0 HA MET 0 16.441 -5.242 1.096 5 1HB MET 0 HB2 MET 0 14.556 -7.513 0.463 6 2HB MET 0 HB1 MET 0 15.954 -7.211 -0.568 7 1HG MET 0 HG2 MET 0 16.167 -7.520 2.436 8 2HG MET 0 HG1 MET 0 16.336 -8.873 1.319 9 1HE MET 0 HE3 MET 0 18.340 -9.497 0.113 10 2HE MET 0 HE2 MET 0 19.914 -8.919 0.653 11 3HE MET 0 HE1 MET 0 18.768 -9.555 1.829 12 H SER 1 HN SER 1 16.266 -5.791 -1.640 13 HA SER 1 HA SER 1 15.247 -3.279 -2.625 14 1HB SER 1 HB2 SER 1 15.883 -4.236 -4.868 15 2HB SER 1 HB1 SER 1 17.188 -4.242 -3.686 16 HG SER 1 HG SER 1 15.448 -6.411 -4.285 17 H GLU 2 HN GLU 2 13.711 -6.169 -1.915 18 HA GLU 2 HA GLU 2 11.894 -6.493 -4.068 19 1HB GLU 2 HB2 GLU 2 11.644 -7.106 -1.118 20 2HB GLU 2 HB1 GLU 2 10.407 -7.555 -2.295 21 1HG GLU 2 HG2 GLU 2 12.038 -8.865 -3.560 22 2HG GLU 2 HG1 GLU 2 13.325 -8.364 -2.464 23 H LEU 3 HN LEU 3 11.905 -4.137 -1.448 24 HA LEU 3 HA LEU 3 9.187 -3.380 -1.479 25 1HB LEU 3 HB2 LEU 3 11.715 -2.211 -0.596 26 2HB LEU 3 HB1 LEU 3 10.679 -0.953 -1.258 27 HG LEU 3 HG LEU 3 8.824 -1.908 0.251 28 1HD1 LEU 3 HD12 LEU 3 11.252 -3.235 1.499 29 2HD1 LEU 3 HD11 LEU 3 9.650 -3.154 2.233 30 3HD1 LEU 3 HD13 LEU 3 9.892 -4.066 0.743 31 1HD2 LEU 3 HD23 LEU 3 10.065 0.193 0.707 32 2HD2 LEU 3 HD22 LEU 3 9.654 -0.659 2.195 33 3HD2 LEU 3 HD21 LEU 3 11.297 -0.735 1.561 34 H GLU 4 HN GLU 4 11.838 -2.107 -3.542 35 HA GLU 4 HA GLU 4 10.197 -0.389 -5.113 36 1HB GLU 4 HB2 GLU 4 12.779 -1.837 -5.728 37 2HB GLU 4 HB1 GLU 4 12.023 -0.729 -6.873 38 1HG GLU 4 HG2 GLU 4 12.674 0.056 -4.025 39 2HG GLU 4 HG1 GLU 4 13.793 0.303 -5.367 40 H LYS 5 HN LYS 5 11.038 -3.820 -5.545 41 HA LYS 5 HA LYS 5 9.838 -4.156 -8.097 42 1HB LYS 5 HB2 LYS 5 11.305 -5.789 -6.667 43 2HB LYS 5 HB1 LYS 5 9.769 -6.309 -5.985 44 1HG LYS 5 HG2 LYS 5 9.993 -7.797 -7.770 45 2HG LYS 5 HG1 LYS 5 9.027 -6.522 -8.509 46 1HD LYS 5 HD2 LYS 5 11.003 -5.544 -9.540 47 2HD LYS 5 HD1 LYS 5 12.059 -6.660 -8.676 48 1HE LYS 5 HE2 LYS 5 10.775 -8.544 -9.839 49 2HE LYS 5 HE1 LYS 5 10.089 -7.294 -10.877 50 1HZ LYS 5 HZ1 LYS 5 12.421 -6.600 -11.357 51 2HZ LYS 5 HZ3 LYS 5 12.952 -7.994 -10.549 52 3HZ LYS 5 HZ2 LYS 5 12.005 -8.135 -11.952 53 H ALA 6 HN ALA 6 8.451 -4.360 -4.831 54 HA ALA 6 HA ALA 6 5.866 -5.294 -5.590 55 1HB ALA 6 HB2 ALA 6 6.656 -3.525 -3.257 56 2HB ALA 6 HB1 ALA 6 5.124 -4.386 -3.411 57 3HB ALA 6 HB3 ALA 6 6.630 -5.290 -3.258 58 H MET 7 HN MET 7 6.975 -1.903 -5.045 59 HA MET 7 HA MET 7 4.467 -0.720 -5.709 60 1HB MET 7 HB2 MET 7 7.308 0.314 -5.866 61 2HB MET 7 HB1 MET 7 5.943 1.311 -6.360 62 1HG MET 7 HG2 MET 7 6.170 1.933 -4.125 63 2HG MET 7 HG1 MET 7 4.977 0.648 -3.984 64 1HE MET 7 HE3 MET 7 8.577 1.649 -4.044 65 2HE MET 7 HE2 MET 7 8.130 1.969 -2.371 66 3HE MET 7 HE1 MET 7 9.341 0.743 -2.731 67 H VAL 8 HN VAL 8 7.209 -1.628 -7.772 68 HA VAL 8 HA VAL 8 6.232 -0.468 -10.178 69 HB VAL 8 HB VAL 8 7.964 -2.903 -9.685 70 1HG1 VAL 8 HG12 VAL 8 7.156 -1.545 -12.263 71 2HG1 VAL 8 HG11 VAL 8 8.625 -2.512 -12.131 72 3HG1 VAL 8 HG13 VAL 8 7.050 -3.258 -11.857 73 1HG2 VAL 8 HG23 VAL 8 8.722 -0.526 -9.051 74 2HG2 VAL 8 HG22 VAL 8 9.793 -1.442 -10.111 75 3HG2 VAL 8 HG21 VAL 8 8.741 -0.195 -10.783 76 H ALA 9 HN ALA 9 5.599 -3.645 -8.706 77 HA ALA 9 HA ALA 9 4.070 -4.680 -10.901 78 1HB ALA 9 HB3 ALA 9 5.041 -6.016 -8.981 79 2HB ALA 9 HB2 ALA 9 3.733 -5.392 -7.978 80 3HB ALA 9 HB1 ALA 9 3.367 -6.404 -9.375 81 H LEU 10 HN LEU 10 3.123 -2.858 -7.985 82 HA LEU 10 HA LEU 10 0.301 -3.079 -8.424 83 1HB LEU 10 HB2 LEU 10 1.956 -1.005 -6.968 84 2HB LEU 10 HB1 LEU 10 0.195 -1.002 -6.964 85 HG LEU 10 HG LEU 10 1.743 -3.472 -6.157 86 1HD1 LEU 10 HD13 LEU 10 1.020 -1.067 -4.461 87 2HD1 LEU 10 HD12 LEU 10 1.363 -2.654 -3.774 88 3HD1 LEU 10 HD11 LEU 10 2.612 -1.795 -4.675 89 1HD2 LEU 10 HD21 LEU 10 -1.048 -2.396 -5.629 90 2HD2 LEU 10 HD23 LEU 10 -0.611 -3.876 -6.481 91 3HD2 LEU 10 HD22 LEU 10 -0.367 -3.757 -4.743 92 H ILE 11 HN ILE 11 2.661 -0.625 -9.494 93 HA ILE 11 HA ILE 11 0.660 1.072 -10.698 94 HB ILE 11 HB ILE 11 3.630 0.821 -11.257 95 1HG1 ILE 11 HG12 ILE 11 2.115 2.904 -9.652 96 2HG1 ILE 11 HG11 ILE 11 2.893 1.497 -8.926 97 1HG2 ILE 11 HG22 ILE 11 1.529 2.774 -12.206 98 2HG2 ILE 11 HG21 ILE 11 3.233 3.220 -12.132 99 3HG2 ILE 11 HG23 ILE 11 2.716 1.888 -13.165 100 1HD1 ILE 11 HD12 ILE 11 5.043 2.253 -10.075 101 2HD1 ILE 11 HD11 ILE 11 4.209 3.765 -10.436 102 3HD1 ILE 11 HD13 ILE 11 4.476 3.282 -8.761 103 H ASP 12 HN ASP 12 2.866 -1.382 -12.067 104 HA ASP 12 HA ASP 12 2.003 -1.101 -14.763 105 1HB ASP 12 HB2 ASP 12 4.042 -2.337 -14.069 106 2HB ASP 12 HB1 ASP 12 3.021 -3.599 -13.379 107 H VAL 13 HN VAL 13 0.756 -3.169 -12.141 108 HA VAL 13 HA VAL 13 -1.097 -4.614 -13.787 109 HB VAL 13 HB VAL 13 -1.083 -4.034 -10.813 110 1HG1 VAL 13 HG11 VAL 13 -2.872 -5.816 -12.482 111 2HG1 VAL 13 HG13 VAL 13 -2.650 -6.047 -10.748 112 3HG1 VAL 13 HG12 VAL 13 -3.358 -4.550 -11.354 113 1HG2 VAL 13 HG22 VAL 13 0.757 -5.455 -11.990 114 2HG2 VAL 13 HG21 VAL 13 -0.039 -6.135 -10.572 115 3HG2 VAL 13 HG23 VAL 13 -0.511 -6.662 -12.188 116 H PHE 14 HN PHE 14 -1.472 -1.624 -11.864 117 HA PHE 14 HA PHE 14 -4.282 -1.357 -12.200 118 1HB PHE 14 HB2 PHE 14 -2.878 0.022 -10.656 119 2HB PHE 14 HB1 PHE 14 -2.247 0.887 -12.057 120 HD1 PHE 14 HD1 PHE 14 -5.218 0.266 -9.967 121 HD2 PHE 14 HD2 PHE 14 -3.647 2.457 -13.311 122 HE1 PHE 14 HE1 PHE 14 -7.190 1.769 -9.906 123 HE2 PHE 14 HE2 PHE 14 -5.623 3.961 -13.250 124 HZ PHE 14 HZ PHE 14 -7.396 3.616 -11.545 125 H HIS 15 HN HIS 15 -1.627 -0.085 -14.214 126 HA HIS 15 HA HIS 15 -3.239 1.279 -16.104 127 1HB HIS 15 HB2 HIS 15 -0.805 1.553 -15.957 128 2HB HIS 15 HB1 HIS 15 -0.575 -0.102 -16.520 129 HD1 HIS 15 HD1 HIS 15 -2.398 3.037 -17.742 130 HD2 HIS 15 HD2 HIS 15 -0.273 -0.221 -19.252 131 HE1 HIS 15 HE1 HIS 15 -2.249 3.375 -20.251 132 HE2 HIS 15 HE2 HIS 15 -0.975 1.388 -21.180 133 H GLN 16 HN GLN 16 -2.158 -2.132 -16.110 134 HA GLN 16 HA GLN 16 -3.082 -2.760 -18.721 135 1HB GLN 16 HB2 GLN 16 -2.790 -4.477 -16.248 136 2HB GLN 16 HB1 GLN 16 -3.176 -5.130 -17.841 137 1HG GLN 16 HG2 GLN 16 -1.111 -4.267 -18.765 138 2HG GLN 16 HG1 GLN 16 -0.750 -3.409 -17.269 139 1HE2 GLN 16 HE22 GLN 16 1.111 -6.676 -17.286 140 2HE2 GLN 16 HE21 GLN 16 1.063 -5.347 -18.342 141 H TYR 17 HN TYR 17 -4.792 -3.218 -15.601 142 HA TYR 17 HA TYR 17 -7.217 -4.124 -16.880 143 1HB TYR 17 HB2 TYR 17 -6.585 -3.154 -14.091 144 2HB TYR 17 HB1 TYR 17 -8.227 -3.578 -14.573 145 HD1 TYR 17 HD2 TYR 17 -4.762 -4.889 -14.266 146 HD2 TYR 17 HD1 TYR 17 -8.905 -5.859 -14.821 147 HE1 TYR 17 HE2 TYR 17 -4.239 -7.288 -13.943 148 HE2 TYR 17 HE1 TYR 17 -8.383 -8.264 -14.501 149 HH TYR 17 HH TYR 17 -5.139 -9.329 -13.574 150 H SER 18 HN SER 18 -6.130 -0.934 -15.729 151 HA SER 18 HA SER 18 -8.613 0.420 -16.043 152 1HB SER 18 HB2 SER 18 -7.329 2.458 -16.077 153 2HB SER 18 HB1 SER 18 -6.505 1.351 -14.984 154 HG SER 18 HG SER 18 -5.528 2.540 -17.117 155 H GLY 19 HN GLY 19 -6.005 -0.203 -18.375 156 1HA GLY 19 HA2 GLY 19 -7.327 1.225 -20.527 157 2HA GLY 19 HA1 GLY 19 -5.947 0.140 -20.702 158 H ARG 20 HN ARG 20 -7.081 -2.210 -19.589 159 HA ARG 20 HA ARG 20 -8.418 -3.296 -21.851 160 1HB ARG 20 HB2 ARG 20 -7.214 -4.606 -20.055 161 2HB ARG 20 HB1 ARG 20 -8.600 -4.326 -19.008 162 1HG ARG 20 HG2 ARG 20 -9.349 -6.318 -19.887 163 2HG ARG 20 HG1 ARG 20 -9.895 -5.301 -21.213 164 1HD ARG 20 HD2 ARG 20 -7.170 -6.630 -21.152 165 2HD ARG 20 HD1 ARG 20 -8.586 -7.345 -21.909 166 HE ARG 20 HE ARG 20 -8.425 -4.817 -23.043 167 1HH1 ARG 20 HH21 ARG 20 -6.343 -7.530 -22.612 168 2HH1 ARG 20 HH22 ARG 20 -5.442 -7.241 -24.062 169 1HH2 ARG 20 HH11 ARG 20 -7.274 -4.433 -24.952 170 2HH2 ARG 20 HH12 ARG 20 -5.976 -5.491 -25.393 171 H GLU 21 HN GLU 21 -9.759 -2.117 -18.745 172 HA GLU 21 HA GLU 21 -12.244 -1.366 -20.031 173 1HB GLU 21 HB2 GLU 21 -12.390 -3.919 -19.801 174 2HB GLU 21 HB1 GLU 21 -12.454 -3.654 -18.061 175 1HG GLU 21 HG2 GLU 21 -14.359 -2.271 -19.965 176 2HG GLU 21 HG1 GLU 21 -14.709 -3.849 -19.263 177 H GLY 22 HN GLY 22 -13.525 -0.076 -18.640 178 1HA GLY 22 HA2 GLY 22 -14.159 0.793 -16.466 179 2HA GLY 22 HA1 GLY 22 -12.635 0.201 -15.803 180 H ASP 23 HN ASP 23 -13.862 2.532 -18.222 181 HA ASP 23 HA ASP 23 -13.005 4.623 -18.869 182 1HB ASP 23 HB2 ASP 23 -12.202 4.556 -15.952 183 2HB ASP 23 HB1 ASP 23 -12.186 6.004 -16.959 184 H LYS 24 HN LYS 24 -10.853 6.015 -18.709 185 HA LYS 24 HA LYS 24 -8.645 4.164 -19.433 186 1HB LYS 24 HB2 LYS 24 -9.068 7.138 -19.800 187 2HB LYS 24 HB1 LYS 24 -7.588 6.304 -20.268 188 1HG LYS 24 HG2 LYS 24 -8.872 4.819 -21.747 189 2HG LYS 24 HG1 LYS 24 -10.366 5.623 -21.278 190 1HD LYS 24 HD2 LYS 24 -8.140 7.332 -22.360 191 2HD LYS 24 HD1 LYS 24 -9.036 6.333 -23.498 192 1HE LYS 24 HE2 LYS 24 -10.080 8.538 -23.359 193 2HE LYS 24 HE1 LYS 24 -11.163 7.334 -22.663 194 1HZ LYS 24 HZ2 LYS 24 -9.250 8.733 -20.926 195 2HZ LYS 24 HZ1 LYS 24 -10.675 9.527 -21.396 196 3HZ LYS 24 HZ3 LYS 24 -10.764 8.064 -20.542 197 H HIS 25 HN HIS 25 -9.436 6.672 -17.060 198 HA HIS 25 HA HIS 25 -6.906 6.002 -15.599 199 1HB HIS 25 HB2 HIS 25 -6.767 8.432 -14.989 200 2HB HIS 25 HB1 HIS 25 -6.539 8.125 -16.711 201 HD1 HIS 25 HD1 HIS 25 -9.111 8.067 -17.991 202 HD2 HIS 25 HD2 HIS 25 -8.533 10.535 -14.678 203 HE1 HIS 25 HE1 HIS 25 -10.927 9.831 -18.087 204 HE2 HIS 25 HE2 HIS 25 -10.580 11.343 -16.080 205 H LYS 26 HN LYS 26 -9.933 5.371 -15.303 206 HA LYS 26 HA LYS 26 -10.068 6.111 -12.399 207 1HB LYS 26 HB2 LYS 26 -12.384 6.194 -14.361 208 2HB LYS 26 HB1 LYS 26 -12.492 6.482 -12.631 209 1HG LYS 26 HG2 LYS 26 -10.967 8.414 -12.852 210 2HG LYS 26 HG1 LYS 26 -10.838 8.111 -14.584 211 1HD LYS 26 HD2 LYS 26 -12.500 9.748 -14.554 212 2HD LYS 26 HD1 LYS 26 -13.480 8.285 -14.518 213 1HE LYS 26 HE2 LYS 26 -14.379 9.675 -12.809 214 2HE LYS 26 HE1 LYS 26 -13.396 8.491 -11.952 215 1HZ LYS 26 HZ2 LYS 26 -12.421 11.168 -12.773 216 2HZ LYS 26 HZ1 LYS 26 -13.034 10.814 -11.229 217 3HZ LYS 26 HZ3 LYS 26 -11.624 10.048 -11.775 218 H LEU 27 HN LEU 27 -11.146 4.526 -11.098 219 HA LEU 27 HA LEU 27 -11.203 1.819 -12.345 220 1HB LEU 27 HB2 LEU 27 -9.829 2.299 -10.261 221 2HB LEU 27 HB1 LEU 27 -11.347 2.561 -9.410 222 HG LEU 27 HG LEU 27 -11.995 0.191 -10.336 223 1HD1 LEU 27 HD12 LEU 27 -8.968 0.156 -10.549 224 2HD1 LEU 27 HD11 LEU 27 -9.973 -1.290 -10.519 225 3HD1 LEU 27 HD13 LEU 27 -10.120 -0.146 -11.848 226 1HD2 LEU 27 HD21 LEU 27 -9.924 0.605 -8.157 227 2HD2 LEU 27 HD23 LEU 27 -11.678 0.624 -7.962 228 3HD2 LEU 27 HD22 LEU 27 -10.853 -0.879 -8.377 229 H LYS 28 HN LYS 28 -13.115 0.819 -12.695 230 HA LYS 28 HA LYS 28 -15.592 2.013 -11.519 231 1HB LYS 28 HB2 LYS 28 -15.066 0.440 -14.044 232 2HB LYS 28 HB1 LYS 28 -16.697 0.645 -13.407 233 1HG LYS 28 HG2 LYS 28 -14.934 3.066 -13.781 234 2HG LYS 28 HG1 LYS 28 -15.755 2.370 -15.175 235 1HD LYS 28 HD2 LYS 28 -17.927 2.580 -13.980 236 2HD LYS 28 HD1 LYS 28 -17.097 3.338 -12.624 237 1HE LYS 28 HE2 LYS 28 -16.855 4.445 -15.421 238 2HE LYS 28 HE1 LYS 28 -18.192 4.897 -14.365 239 1HZ LYS 28 HZ1 LYS 28 -15.727 5.044 -12.974 240 2HZ LYS 28 HZ3 LYS 28 -15.652 5.976 -14.389 241 3HZ LYS 28 HZ2 LYS 28 -16.878 6.263 -13.246 242 H LYS 29 HN LYS 29 -17.375 0.270 -11.285 243 HA LYS 29 HA LYS 29 -16.639 -1.532 -9.221 244 1HB LYS 29 HB2 LYS 29 -19.042 -1.530 -11.065 245 2HB LYS 29 HB1 LYS 29 -18.898 -2.557 -9.640 246 1HG LYS 29 HG2 LYS 29 -18.662 -0.548 -8.220 247 2HG LYS 29 HG1 LYS 29 -18.818 0.475 -9.650 248 1HD LYS 29 HD2 LYS 29 -21.054 -0.516 -10.091 249 2HD LYS 29 HD1 LYS 29 -20.902 -1.466 -8.614 250 1HE LYS 29 HE2 LYS 29 -20.996 1.552 -8.835 251 2HE LYS 29 HE1 LYS 29 -22.201 0.503 -8.090 252 1HZ LYS 29 HZ1 LYS 29 -20.350 -0.233 -6.566 253 2HZ LYS 29 HZ3 LYS 29 -19.456 1.082 -7.153 254 3HZ LYS 29 HZ2 LYS 29 -20.923 1.350 -6.339 255 H SER 30 HN SER 30 -17.081 -2.072 -12.703 256 HA SER 30 HA SER 30 -16.966 -4.901 -12.671 257 1HB SER 30 HB2 SER 30 -15.972 -2.972 -14.786 258 2HB SER 30 HB1 SER 30 -16.240 -4.694 -15.038 259 HG SER 30 HG SER 30 -18.019 -2.630 -14.944 260 H GLU 31 HN GLU 31 -14.306 -2.516 -12.800 261 HA GLU 31 HA GLU 31 -12.252 -4.505 -13.156 262 1HB GLU 31 HB2 GLU 31 -12.171 -1.694 -12.028 263 2HB GLU 31 HB1 GLU 31 -10.730 -2.684 -12.274 264 1HG GLU 31 HG2 GLU 31 -11.419 -2.938 -14.690 265 2HG GLU 31 HG1 GLU 31 -12.693 -1.757 -14.388 266 H LEU 32 HN LEU 32 -13.700 -2.988 -10.285 267 HA LEU 32 HA LEU 32 -11.949 -4.154 -8.356 268 1HB LEU 32 HB2 LEU 32 -13.523 -2.321 -7.824 269 2HB LEU 32 HB1 LEU 32 -14.879 -3.411 -8.081 270 HG LEU 32 HG LEU 32 -13.936 -4.880 -6.232 271 1HD1 LEU 32 HD13 LEU 32 -12.039 -2.537 -6.058 272 2HD1 LEU 32 HD12 LEU 32 -12.410 -3.512 -4.637 273 3HD1 LEU 32 HD11 LEU 32 -11.665 -4.260 -6.047 274 1HD2 LEU 32 HD23 LEU 32 -15.797 -3.291 -5.884 275 2HD2 LEU 32 HD22 LEU 32 -14.785 -3.426 -4.446 276 3HD2 LEU 32 HD21 LEU 32 -14.633 -2.022 -5.503 277 H LYS 33 HN LYS 33 -15.109 -5.267 -9.592 278 HA LYS 33 HA LYS 33 -15.243 -7.660 -8.071 279 1HB LYS 33 HB2 LYS 33 -17.099 -6.629 -9.435 280 2HB LYS 33 HB1 LYS 33 -16.316 -7.271 -10.878 281 1HG LYS 33 HG2 LYS 33 -16.437 -9.559 -9.850 282 2HG LYS 33 HG1 LYS 33 -17.383 -8.870 -8.534 283 1HD LYS 33 HD2 LYS 33 -18.141 -8.794 -11.473 284 2HD LYS 33 HD1 LYS 33 -18.843 -9.868 -10.267 285 1HE LYS 33 HE2 LYS 33 -19.133 -6.877 -10.513 286 2HE LYS 33 HE1 LYS 33 -20.392 -8.101 -10.389 287 1HZ LYS 33 HZ3 LYS 33 -19.183 -8.539 -8.110 288 2HZ LYS 33 HZ2 LYS 33 -18.749 -6.907 -8.290 289 3HZ LYS 33 HZ1 LYS 33 -20.387 -7.355 -8.265 290 H GLU 34 HN GLU 34 -13.866 -7.080 -11.313 291 HA GLU 34 HA GLU 34 -13.064 -9.826 -11.699 292 1HB GLU 34 HB2 GLU 34 -12.098 -7.250 -12.980 293 2HB GLU 34 HB1 GLU 34 -11.609 -8.858 -13.512 294 1HG GLU 34 HG2 GLU 34 -14.479 -7.885 -13.384 295 2HG GLU 34 HG1 GLU 34 -13.505 -7.942 -14.852 296 H LEU 35 HN LEU 35 -11.415 -6.947 -10.427 297 HA LEU 35 HA LEU 35 -8.812 -8.062 -10.241 298 1HB LEU 35 HB2 LEU 35 -9.293 -5.661 -9.911 299 2HB LEU 35 HB1 LEU 35 -10.146 -6.036 -8.417 300 HG LEU 35 HG LEU 35 -8.041 -6.975 -7.472 301 1HD1 LEU 35 HD12 LEU 35 -7.034 -6.244 -10.218 302 2HD1 LEU 35 HD11 LEU 35 -5.928 -6.195 -8.844 303 3HD1 LEU 35 HD13 LEU 35 -6.731 -7.703 -9.273 304 1HD2 LEU 35 HD22 LEU 35 -7.875 -4.147 -8.559 305 2HD2 LEU 35 HD21 LEU 35 -8.606 -4.640 -7.032 306 3HD2 LEU 35 HD23 LEU 35 -6.863 -4.783 -7.262 307 H ILE 36 HN ILE 36 -11.453 -8.034 -7.808 308 HA ILE 36 HA ILE 36 -9.989 -9.495 -5.826 309 HB ILE 36 HB ILE 36 -12.974 -9.256 -6.316 310 1HG1 ILE 36 HG12 ILE 36 -11.194 -8.003 -4.201 311 2HG1 ILE 36 HG11 ILE 36 -11.632 -7.194 -5.705 312 1HG2 ILE 36 HG22 ILE 36 -11.419 -10.539 -4.049 313 2HG2 ILE 36 HG21 ILE 36 -13.100 -10.031 -3.886 314 3HG2 ILE 36 HG23 ILE 36 -12.666 -11.280 -5.052 315 1HD1 ILE 36 HD13 ILE 36 -14.067 -7.600 -5.071 316 2HD1 ILE 36 HD12 ILE 36 -13.480 -8.089 -3.481 317 3HD1 ILE 36 HD11 ILE 36 -13.205 -6.445 -4.056 318 H ASN 37 HN ASN 37 -12.090 -10.556 -8.483 319 HA ASN 37 HA ASN 37 -12.105 -13.336 -7.800 320 1HB ASN 37 HB2 ASN 37 -13.642 -12.183 -9.440 321 2HB ASN 37 HB1 ASN 37 -12.299 -12.161 -10.583 322 1HD2 ASN 37 HD22 ASN 37 -13.980 -15.792 -9.604 323 2HD2 ASN 37 HD21 ASN 37 -14.099 -14.505 -8.503 324 H ASN 38 HN ASN 38 -9.815 -11.360 -9.622 325 HA ASN 38 HA ASN 38 -8.346 -13.155 -11.083 326 1HB ASN 38 HB2 ASN 38 -7.304 -10.975 -9.265 327 2HB ASN 38 HB1 ASN 38 -6.294 -11.834 -10.424 328 1HD2 ASN 38 HD22 ASN 38 -9.163 -10.361 -12.741 329 2HD2 ASN 38 HD21 ASN 38 -9.295 -11.787 -11.829 330 H GLU 39 HN GLU 39 -6.500 -12.400 -8.219 331 HA GLU 39 HA GLU 39 -6.214 -15.346 -7.696 332 1HB GLU 39 HB2 GLU 39 -4.170 -14.003 -8.392 333 2HB GLU 39 HB1 GLU 39 -4.315 -13.149 -6.855 334 1HG GLU 39 HG2 GLU 39 -4.265 -15.395 -5.696 335 2HG GLU 39 HG1 GLU 39 -3.889 -16.122 -7.255 336 H LEU 40 HN LEU 40 -7.031 -12.256 -6.237 337 HA LEU 40 HA LEU 40 -6.700 -13.033 -3.512 338 1HB LEU 40 HB2 LEU 40 -8.751 -11.123 -4.680 339 2HB LEU 40 HB1 LEU 40 -8.250 -11.195 -2.991 340 HG LEU 40 HG LEU 40 -6.452 -10.538 -5.345 341 1HD1 LEU 40 HD12 LEU 40 -7.626 -8.833 -3.131 342 2HD1 LEU 40 HD11 LEU 40 -6.365 -8.287 -4.237 343 3HD1 LEU 40 HD13 LEU 40 -7.964 -8.704 -4.857 344 1HD2 LEU 40 HD21 LEU 40 -5.935 -11.022 -2.417 345 2HD2 LEU 40 HD23 LEU 40 -4.971 -11.492 -3.816 346 3HD2 LEU 40 HD22 LEU 40 -4.961 -9.820 -3.265 347 H SER 41 HN SER 41 -7.726 -14.595 -2.428 348 HA SER 41 HA SER 41 -10.597 -15.014 -2.678 349 1HB SER 41 HB2 SER 41 -10.531 -17.275 -3.530 350 2HB SER 41 HB1 SER 41 -9.627 -16.267 -4.656 351 HG SER 41 HG SER 41 -8.778 -18.278 -2.970 352 H HIS 42 HN HIS 42 -7.499 -16.406 -1.568 353 HA HIS 42 HA HIS 42 -8.575 -17.915 0.590 354 1HB HIS 42 HB2 HIS 42 -6.232 -18.136 -0.199 355 2HB HIS 42 HB1 HIS 42 -5.876 -16.530 0.440 356 HD1 HIS 42 HD1 HIS 42 -5.345 -16.357 2.908 357 HD2 HIS 42 HD2 HIS 42 -6.963 -20.066 1.894 358 HE1 HIS 42 HE1 HIS 42 -5.166 -17.811 4.979 359 HE2 HIS 42 HE2 HIS 42 -6.149 -20.068 4.372 360 H PHE 43 HN PHE 43 -7.371 -14.557 0.480 361 HA PHE 43 HA PHE 43 -7.837 -13.987 3.249 362 1HB PHE 43 HB2 PHE 43 -7.592 -12.268 0.775 363 2HB PHE 43 HB1 PHE 43 -7.924 -11.554 2.353 364 HD1 PHE 43 HD1 PHE 43 -5.533 -13.764 0.526 365 HD2 PHE 43 HD2 PHE 43 -6.184 -11.222 3.927 366 HE1 PHE 43 HE1 PHE 43 -3.125 -13.910 1.099 367 HE2 PHE 43 HE2 PHE 43 -3.777 -11.369 4.499 368 HZ PHE 43 HZ PHE 43 -2.247 -12.714 3.086 369 H LEU 44 HN LEU 44 -9.867 -13.508 0.360 370 HA LEU 44 HA LEU 44 -12.248 -13.256 2.166 371 1HB LEU 44 HB2 LEU 44 -11.693 -11.645 -0.349 372 2HB LEU 44 HB1 LEU 44 -13.180 -11.583 0.590 373 HG LEU 44 HG LEU 44 -10.505 -11.019 1.878 374 1HD1 LEU 44 HD13 LEU 44 -12.287 -9.122 0.335 375 2HD1 LEU 44 HD12 LEU 44 -11.105 -8.571 1.523 376 3HD1 LEU 44 HD11 LEU 44 -10.570 -9.436 0.082 377 1HD2 LEU 44 HD23 LEU 44 -13.392 -10.314 2.511 378 2HD2 LEU 44 HD22 LEU 44 -12.311 -11.343 3.452 379 3HD2 LEU 44 HD21 LEU 44 -12.015 -9.610 3.357 380 H GLU 45 HN GLU 45 -14.063 -14.369 1.444 381 HA GLU 45 HA GLU 45 -13.699 -16.539 -0.362 382 1HB GLU 45 HB2 GLU 45 -16.373 -16.375 -0.364 383 2HB GLU 45 HB1 GLU 45 -15.494 -16.919 1.063 384 1HG GLU 45 HG2 GLU 45 -17.272 -15.130 1.460 385 2HG GLU 45 HG1 GLU 45 -15.674 -14.791 2.119 386 H GLU 46 HN GLU 46 -14.838 -16.841 -2.470 387 HA GLU 46 HA GLU 46 -14.253 -14.703 -4.277 388 1HB GLU 46 HB2 GLU 46 -15.410 -16.072 -5.973 389 2HB GLU 46 HB1 GLU 46 -14.320 -17.058 -5.000 390 1HG GLU 46 HG2 GLU 46 -16.289 -17.674 -3.553 391 2HG GLU 46 HG1 GLU 46 -17.328 -16.840 -4.709 392 H ILE 47 HN ILE 47 -15.979 -13.723 -5.753 393 HA ILE 47 HA ILE 47 -17.944 -12.397 -4.060 394 HB ILE 47 HB ILE 47 -17.550 -12.278 -7.064 395 1HG1 ILE 47 HG12 ILE 47 -15.503 -11.603 -5.934 396 2HG1 ILE 47 HG11 ILE 47 -16.308 -10.163 -6.547 397 1HG2 ILE 47 HG23 ILE 47 -19.141 -10.624 -5.107 398 2HG2 ILE 47 HG22 ILE 47 -18.632 -9.973 -6.666 399 3HG2 ILE 47 HG21 ILE 47 -19.688 -11.384 -6.600 400 1HD1 ILE 47 HD13 ILE 47 -17.399 -10.096 -4.145 401 2HD1 ILE 47 HD12 ILE 47 -16.026 -11.113 -3.710 402 3HD1 ILE 47 HD11 ILE 47 -15.755 -9.506 -4.377 403 H LYS 48 HN LYS 48 -19.777 -13.430 -3.513 404 HA LYS 48 HA LYS 48 -21.001 -15.399 -5.356 405 1HB LYS 48 HB2 LYS 48 -20.741 -15.791 -2.848 406 2HB LYS 48 HB1 LYS 48 -21.968 -14.544 -2.619 407 1HG LYS 48 HG2 LYS 48 -23.618 -15.826 -3.797 408 2HG LYS 48 HG1 LYS 48 -22.412 -16.970 -4.374 409 1HD LYS 48 HD2 LYS 48 -23.671 -17.941 -2.501 410 2HD LYS 48 HD1 LYS 48 -21.987 -17.696 -2.047 411 1HE LYS 48 HE2 LYS 48 -23.736 -16.969 -0.329 412 2HE LYS 48 HE1 LYS 48 -22.515 -15.770 -0.742 413 1HZ LYS 48 HZ1 LYS 48 -25.096 -15.896 -2.172 414 2HZ LYS 48 HZ3 LYS 48 -24.939 -15.039 -0.717 415 3HZ LYS 48 HZ2 LYS 48 -24.005 -14.598 -2.067 416 H GLU 49 HN GLU 49 -22.575 -12.962 -3.271 417 HA GLU 49 HA GLU 49 -24.359 -12.257 -5.564 418 1HB GLU 49 HB2 GLU 49 -24.620 -11.868 -2.571 419 2HB GLU 49 HB1 GLU 49 -25.735 -11.154 -3.736 420 1HG GLU 49 HG2 GLU 49 -26.259 -13.398 -4.615 421 2HG GLU 49 HG1 GLU 49 -25.146 -14.111 -3.451 422 H GLN 50 HN GLN 50 -24.652 -10.068 -6.153 423 HA GLN 50 HA GLN 50 -22.360 -8.380 -6.027 424 1HB GLN 50 HB2 GLN 50 -24.193 -8.231 -7.746 425 2HB GLN 50 HB1 GLN 50 -25.220 -7.496 -6.514 426 1HG GLN 50 HG2 GLN 50 -23.544 -5.694 -6.211 427 2HG GLN 50 HG1 GLN 50 -22.557 -6.415 -7.483 428 1HE2 GLN 50 HE22 GLN 50 -25.507 -3.938 -8.535 429 2HE2 GLN 50 HE21 GLN 50 -24.894 -4.061 -6.957 430 H GLU 51 HN GLU 51 -25.119 -8.733 -3.909 431 HA GLU 51 HA GLU 51 -25.090 -6.279 -2.532 432 1HB GLU 51 HB2 GLU 51 -25.526 -9.059 -1.394 433 2HB GLU 51 HB1 GLU 51 -25.983 -7.554 -0.597 434 1HG GLU 51 HG2 GLU 51 -26.995 -8.395 -3.326 435 2HG GLU 51 HG1 GLU 51 -27.876 -8.663 -1.822 436 H VAL 52 HN VAL 52 -23.029 -9.146 -2.065 437 HA VAL 52 HA VAL 52 -21.693 -8.239 0.278 438 HB VAL 52 HB VAL 52 -20.739 -9.994 -2.004 439 1HG1 VAL 52 HG11 VAL 52 -19.426 -9.239 0.611 440 2HG1 VAL 52 HG13 VAL 52 -19.034 -10.744 -0.222 441 3HG1 VAL 52 HG12 VAL 52 -18.737 -9.195 -1.011 442 1HG2 VAL 52 HG22 VAL 52 -22.678 -10.737 -0.534 443 2HG2 VAL 52 HG21 VAL 52 -21.287 -11.821 -0.541 444 3HG2 VAL 52 HG23 VAL 52 -21.550 -10.731 0.821 445 H VAL 53 HN VAL 53 -20.916 -7.777 -3.172 446 HA VAL 53 HA VAL 53 -18.528 -6.269 -2.772 447 HB VAL 53 HB VAL 53 -20.554 -6.231 -5.026 448 1HG1 VAL 53 HG11 VAL 53 -17.845 -4.911 -4.756 449 2HG1 VAL 53 HG13 VAL 53 -18.590 -5.240 -6.320 450 3HG1 VAL 53 HG12 VAL 53 -19.380 -4.151 -5.179 451 1HG2 VAL 53 HG23 VAL 53 -19.302 -8.359 -4.561 452 2HG2 VAL 53 HG22 VAL 53 -18.966 -7.674 -6.151 453 3HG2 VAL 53 HG21 VAL 53 -17.800 -7.481 -4.841 454 H ASP 54 HN ASP 54 -21.922 -5.220 -3.145 455 HA ASP 54 HA ASP 54 -21.403 -2.424 -3.010 456 1HB ASP 54 HB2 ASP 54 -23.819 -4.055 -2.204 457 2HB ASP 54 HB1 ASP 54 -23.796 -2.291 -2.165 458 H LYS 55 HN LYS 55 -21.958 -4.811 -0.430 459 HA LYS 55 HA LYS 55 -22.028 -2.908 1.714 460 1HB LYS 55 HB2 LYS 55 -22.786 -5.269 1.933 461 2HB LYS 55 HB1 LYS 55 -21.108 -5.792 1.793 462 1HG LYS 55 HG2 LYS 55 -20.506 -4.566 3.816 463 2HG LYS 55 HG1 LYS 55 -22.128 -3.888 3.920 464 1HD LYS 55 HD2 LYS 55 -22.242 -5.665 5.443 465 2HD LYS 55 HD1 LYS 55 -22.908 -6.390 3.983 466 1HE LYS 55 HE2 LYS 55 -20.619 -7.291 3.458 467 2HE LYS 55 HE1 LYS 55 -20.066 -6.668 5.009 468 1HZ LYS 55 HZ1 LYS 55 -22.333 -8.553 4.700 469 2HZ LYS 55 HZ3 LYS 55 -20.743 -9.040 5.034 470 3HZ LYS 55 HZ2 LYS 55 -21.586 -8.072 6.148 471 H VAL 56 HN VAL 56 -19.356 -4.710 0.208 472 HA VAL 56 HA VAL 56 -17.351 -3.835 2.073 473 HB VAL 56 HB VAL 56 -17.163 -4.816 -0.792 474 1HG1 VAL 56 HG11 VAL 56 -14.976 -4.210 1.218 475 2HG1 VAL 56 HG13 VAL 56 -14.734 -5.200 -0.222 476 3HG1 VAL 56 HG12 VAL 56 -15.176 -3.502 -0.386 477 1HG2 VAL 56 HG21 VAL 56 -17.991 -6.440 0.886 478 2HG2 VAL 56 HG23 VAL 56 -16.395 -6.894 0.286 479 3HG2 VAL 56 HG22 VAL 56 -16.560 -6.141 1.873 480 H MET 57 HN MET 57 -18.265 -2.627 -1.162 481 HA MET 57 HA MET 57 -16.382 -0.451 -1.138 482 1HB MET 57 HB2 MET 57 -18.942 -0.884 -2.702 483 2HB MET 57 HB1 MET 57 -17.830 0.454 -2.993 484 1HG MET 57 HG2 MET 57 -16.007 -1.154 -3.432 485 2HG MET 57 HG1 MET 57 -17.121 -2.488 -3.145 486 1HE MET 57 HE1 MET 57 -16.324 0.624 -4.885 487 2HE MET 57 HE3 MET 57 -16.686 0.362 -6.596 488 3HE MET 57 HE2 MET 57 -17.935 0.964 -5.510 489 H GLU 58 HN GLU 58 -19.803 -0.686 -0.223 490 HA GLU 58 HA GLU 58 -20.215 2.102 0.225 491 1HB GLU 58 HB2 GLU 58 -22.051 0.463 0.005 492 2HB GLU 58 HB1 GLU 58 -21.578 -0.271 1.534 493 1HG GLU 58 HG2 GLU 58 -23.445 1.238 1.931 494 2HG GLU 58 HG1 GLU 58 -22.003 1.935 2.664 495 H THR 59 HN THR 59 -19.099 -0.468 2.421 496 HA THR 59 HA THR 59 -19.147 1.182 4.769 497 HB THR 59 HB THR 59 -17.452 -1.258 4.177 498 HG1 THR 59 HG1 THR 59 -20.060 -0.843 5.144 499 1HG2 THR 59 HG22 THR 59 -18.174 0.167 6.752 500 2HG2 THR 59 HG21 THR 59 -17.470 -1.449 6.693 501 3HG2 THR 59 HG23 THR 59 -16.558 -0.067 6.085 502 H LEU 60 HN LEU 60 -16.436 0.255 2.639 503 HA LEU 60 HA LEU 60 -14.601 2.001 4.071 504 1HB LEU 60 HB2 LEU 60 -13.859 -0.082 2.948 505 2HB LEU 60 HB1 LEU 60 -14.295 0.615 1.393 506 HG LEU 60 HG LEU 60 -12.662 2.516 1.927 507 1HD1 LEU 60 HD11 LEU 60 -12.015 0.595 4.174 508 2HD1 LEU 60 HD13 LEU 60 -10.824 1.735 3.549 509 3HD1 LEU 60 HD12 LEU 60 -12.315 2.330 4.271 510 1HD2 LEU 60 HD23 LEU 60 -11.627 -0.317 1.662 511 2HD2 LEU 60 HD22 LEU 60 -12.139 0.734 0.341 512 3HD2 LEU 60 HD21 LEU 60 -10.703 1.137 1.284 513 H ASP 61 HN ASP 61 -15.767 2.055 0.684 514 HA ASP 61 HA ASP 61 -14.828 4.808 0.387 515 1HB ASP 61 HB2 ASP 61 -14.937 2.914 -1.409 516 2HB ASP 61 HB1 ASP 61 -16.619 3.410 -1.598 517 H GLU 62 HN GLU 62 -16.084 6.000 1.889 518 HA GLU 62 HA GLU 62 -18.973 5.925 1.907 519 1HB GLU 62 HB2 GLU 62 -17.605 6.759 3.818 520 2HB GLU 62 HB1 GLU 62 -17.107 8.134 2.831 521 1HG GLU 62 HG2 GLU 62 -19.467 8.827 2.601 522 2HG GLU 62 HG1 GLU 62 -19.963 7.454 3.591 523 H ASP 63 HN ASP 63 -16.546 7.954 0.310 524 HA ASP 63 HA ASP 63 -18.684 9.459 -1.114 525 1HB ASP 63 HB2 ASP 63 -16.943 11.006 -1.731 526 2HB ASP 63 HB1 ASP 63 -16.726 10.639 -0.021 527 H GLY 64 HN GLY 64 -17.575 6.562 -1.627 528 1HA GLY 64 HA2 GLY 64 -16.161 6.400 -4.021 529 2HA GLY 64 HA1 GLY 64 -17.426 5.251 -3.582 530 H ASP 65 HN ASP 65 -19.465 7.453 -3.560 531 HA ASP 65 HA ASP 65 -21.092 8.130 -5.113 532 1HB ASP 65 HB2 ASP 65 -20.338 9.853 -6.565 533 2HB ASP 65 HB1 ASP 65 -19.240 9.902 -5.190 534 H GLY 66 HN GLY 66 -19.873 5.425 -5.543 535 1HA GLY 66 HA2 GLY 66 -20.444 3.746 -7.122 536 2HA GLY 66 HA1 GLY 66 -21.000 5.005 -8.223 537 H GLU 67 HN GLU 67 -18.030 6.014 -7.235 538 HA GLU 67 HA GLU 67 -16.504 4.394 -9.222 539 1HB GLU 67 HB2 GLU 67 -17.277 6.305 -10.492 540 2HB GLU 67 HB1 GLU 67 -16.769 7.417 -9.224 541 1HG GLU 67 HG2 GLU 67 -14.692 5.589 -10.400 542 2HG GLU 67 HG1 GLU 67 -15.234 6.952 -11.375 543 H CYS 68 HN CYS 68 -14.414 4.040 -8.592 544 HA CYS 68 HA CYS 68 -13.524 5.316 -6.025 545 1HB CYS 68 HB2 CYS 68 -12.437 2.765 -7.225 546 2HB CYS 68 HB1 CYS 68 -12.328 3.324 -5.556 547 HG CYS 68 HG CYS 68 -14.293 1.720 -5.428 548 H ASP 69 HN ASP 69 -11.664 6.483 -6.025 549 HA ASP 69 HA ASP 69 -10.265 6.897 -8.596 550 1HB ASP 69 HB2 ASP 69 -10.096 8.258 -5.896 551 2HB ASP 69 HB1 ASP 69 -9.059 8.683 -7.261 552 H PHE 70 HN PHE 70 -7.793 7.104 -8.431 553 HA PHE 70 HA PHE 70 -6.659 4.585 -7.808 554 1HB PHE 70 HB2 PHE 70 -5.751 6.500 -9.301 555 2HB PHE 70 HB1 PHE 70 -5.085 7.168 -7.814 556 HD1 PHE 70 HD2 PHE 70 -3.651 5.539 -6.342 557 HD2 PHE 70 HD1 PHE 70 -4.537 4.880 -10.496 558 HE1 PHE 70 HE2 PHE 70 -1.717 4.001 -6.512 559 HE2 PHE 70 HE1 PHE 70 -2.598 3.342 -10.662 560 HZ PHE 70 HZ PHE 70 -1.188 2.904 -8.671 561 H GLN 71 HN GLN 71 -6.609 7.641 -5.953 562 HA GLN 71 HA GLN 71 -5.038 6.667 -3.780 563 1HB GLN 71 HB2 GLN 71 -5.553 9.069 -4.093 564 2HB GLN 71 HB1 GLN 71 -7.248 8.747 -3.729 565 1HG GLN 71 HG2 GLN 71 -6.712 8.055 -1.479 566 2HG GLN 71 HG1 GLN 71 -4.982 8.113 -1.822 567 1HE2 GLN 71 HE22 GLN 71 -6.993 11.574 -1.008 568 2HE2 GLN 71 HE21 GLN 71 -7.847 10.124 -1.230 569 H GLU 72 HN GLU 72 -8.542 6.604 -4.382 570 HA GLU 72 HA GLU 72 -9.282 5.456 -1.860 571 1HB GLU 72 HB2 GLU 72 -10.593 5.367 -4.592 572 2HB GLU 72 HB1 GLU 72 -11.344 4.713 -3.135 573 1HG GLU 72 HG2 GLU 72 -11.201 6.927 -2.060 574 2HG GLU 72 HG1 GLU 72 -10.439 7.585 -3.509 575 H PHE 73 HN PHE 73 -8.347 4.060 -4.973 576 HA PHE 73 HA PHE 73 -8.818 1.322 -4.339 577 1HB PHE 73 HB2 PHE 73 -8.378 1.929 -6.626 578 2HB PHE 73 HB1 PHE 73 -6.834 2.662 -6.196 579 HD1 PHE 73 HD2 PHE 73 -8.598 -0.627 -5.727 580 HD2 PHE 73 HD1 PHE 73 -4.925 1.395 -6.667 581 HE1 PHE 73 HE2 PHE 73 -7.476 -2.815 -6.051 582 HE2 PHE 73 HE1 PHE 73 -3.805 -0.792 -6.992 583 HZ PHE 73 HZ PHE 73 -5.078 -2.897 -6.684 584 H MET 74 HN MET 74 -6.020 3.429 -3.782 585 HA MET 74 HA MET 74 -4.218 1.450 -2.826 586 1HB MET 74 HB2 MET 74 -3.743 3.912 -3.355 587 2HB MET 74 HB1 MET 74 -4.408 4.279 -1.764 588 1HG MET 74 HG2 MET 74 -2.077 4.090 -1.398 589 2HG MET 74 HG1 MET 74 -2.730 2.544 -0.859 590 1HE MET 74 HE3 MET 74 -0.259 2.137 -0.898 591 2HE MET 74 HE2 MET 74 -0.922 0.581 -1.393 592 3HE MET 74 HE1 MET 74 0.489 1.235 -2.223 593 H ALA 75 HN ALA 75 -6.726 3.330 -1.149 594 HA ALA 75 HA ALA 75 -6.147 2.496 1.508 595 1HB ALA 75 HB1 ALA 75 -7.805 4.299 0.697 596 2HB ALA 75 HB3 ALA 75 -8.949 2.972 0.487 597 3HB ALA 75 HB2 ALA 75 -8.289 3.325 2.085 598 H PHE 76 HN PHE 76 -8.097 0.954 -1.025 599 HA PHE 76 HA PHE 76 -9.287 -1.075 0.573 600 1HB PHE 76 HB2 PHE 76 -9.947 -0.615 -1.773 601 2HB PHE 76 HB1 PHE 76 -8.399 -1.256 -2.324 602 HD1 PHE 76 HD1 PHE 76 -7.896 -3.653 -2.178 603 HD2 PHE 76 HD2 PHE 76 -11.673 -2.081 -0.867 604 HE1 PHE 76 HE1 PHE 76 -8.835 -5.948 -2.128 605 HE2 PHE 76 HE2 PHE 76 -12.610 -4.376 -0.815 606 HZ PHE 76 HZ PHE 76 -11.191 -6.309 -1.445 607 H VAL 77 HN VAL 77 -6.135 -0.934 -1.047 608 HA VAL 77 HA VAL 77 -5.334 -3.623 -0.579 609 HB VAL 77 HB VAL 77 -3.725 -1.060 -0.792 610 1HG1 VAL 77 HG12 VAL 77 -2.829 -3.941 -0.580 611 2HG1 VAL 77 HG11 VAL 77 -1.815 -2.685 -1.289 612 3HG1 VAL 77 HG13 VAL 77 -2.309 -2.571 0.401 613 1HG2 VAL 77 HG23 VAL 77 -5.051 -1.873 -2.783 614 2HG2 VAL 77 HG22 VAL 77 -3.310 -1.793 -3.057 615 3HG2 VAL 77 HG21 VAL 77 -4.084 -3.347 -2.748 616 H SER 78 HN SER 78 -5.091 -0.722 1.470 617 HA SER 78 HA SER 78 -3.504 -1.850 3.536 618 1HB SER 78 HB2 SER 78 -4.331 -0.048 4.930 619 2HB SER 78 HB1 SER 78 -4.105 0.575 3.299 620 HG SER 78 HG SER 78 -6.155 0.997 3.265 621 H MET 79 HN MET 79 -7.042 -1.922 3.069 622 HA MET 79 HA MET 79 -7.697 -3.103 5.577 623 1HB MET 79 HB2 MET 79 -9.369 -2.188 3.972 624 2HB MET 79 HB1 MET 79 -9.068 -3.561 2.911 625 1HG MET 79 HG2 MET 79 -9.784 -5.109 4.699 626 2HG MET 79 HG1 MET 79 -10.085 -3.739 5.765 627 1HE MET 79 HE1 MET 79 -11.464 -1.638 4.819 628 2HE MET 79 HE3 MET 79 -13.164 -2.033 4.539 629 3HE MET 79 HE2 MET 79 -12.343 -2.630 5.978 630 H VAL 80 HN VAL 80 -6.778 -4.596 2.482 631 HA VAL 80 HA VAL 80 -7.171 -7.298 3.275 632 HB VAL 80 HB VAL 80 -5.273 -6.051 1.274 633 1HG1 VAL 80 HG12 VAL 80 -5.794 -8.947 1.969 634 2HG1 VAL 80 HG11 VAL 80 -5.253 -8.473 0.359 635 3HG1 VAL 80 HG13 VAL 80 -4.244 -8.132 1.764 636 1HG2 VAL 80 HG21 VAL 80 -7.934 -7.498 1.073 637 2HG2 VAL 80 HG23 VAL 80 -7.625 -5.798 0.719 638 3HG2 VAL 80 HG22 VAL 80 -6.946 -7.052 -0.318 639 H THR 81 HN THR 81 -4.319 -5.186 3.588 640 HA THR 81 HA THR 81 -2.577 -7.181 4.663 641 HB THR 81 HB THR 81 -2.604 -4.190 5.168 642 HG1 THR 81 HG1 THR 81 -2.158 -4.257 3.112 643 1HG2 THR 81 HG23 THR 81 -0.555 -6.354 5.652 644 2HG2 THR 81 HG22 THR 81 -0.113 -4.651 5.524 645 3HG2 THR 81 HG21 THR 81 -1.197 -5.186 6.808 646 H THR 82 HN THR 82 -4.645 -4.773 6.324 647 HA THR 82 HA THR 82 -4.021 -5.804 8.958 648 HB THR 82 HB THR 82 -5.868 -4.348 9.709 649 HG1 THR 82 HG1 THR 82 -6.873 -3.108 7.953 650 1HG2 THR 82 HG23 THR 82 -3.624 -3.389 9.191 651 2HG2 THR 82 HG22 THR 82 -4.192 -3.025 7.562 652 3HG2 THR 82 HG21 THR 82 -4.933 -2.232 8.952 653 H ALA 83 HN ALA 83 -6.677 -6.297 6.659 654 HA ALA 83 HA ALA 83 -8.463 -7.740 8.271 655 1HB ALA 83 HB3 ALA 83 -7.763 -8.142 5.354 656 2HB ALA 83 HB2 ALA 83 -9.154 -8.880 6.144 657 3HB ALA 83 HB1 ALA 83 -9.049 -7.124 5.999 658 H CYS 84 HN CYS 84 -5.314 -8.685 7.176 659 HA CYS 84 HA CYS 84 -5.486 -11.480 7.065 660 1HB CYS 84 HB2 CYS 84 -3.406 -10.208 6.626 661 2HB CYS 84 HB1 CYS 84 -3.265 -9.857 8.349 662 HG CYS 84 HG CYS 84 -2.325 -12.120 8.710 663 H HIS 85 HN HIS 85 -7.131 -12.098 8.590 664 HA HIS 85 HA HIS 85 -6.915 -11.610 11.419 665 1HB HIS 85 HB2 HIS 85 -9.033 -12.225 10.261 666 2HB HIS 85 HB1 HIS 85 -8.376 -13.833 9.958 667 HD1 HIS 85 HD1 HIS 85 -9.017 -11.543 12.944 668 HD2 HIS 85 HD2 HIS 85 -8.919 -15.608 12.011 669 HE1 HIS 85 HE1 HIS 85 -9.756 -12.775 15.030 670 HE2 HIS 85 HE2 HIS 85 -9.692 -15.250 14.477 671 H GLU 86 HN GLU 86 -5.933 -14.312 9.331 672 HA GLU 86 HA GLU 86 -4.839 -15.802 11.636 673 1HB GLU 86 HB2 GLU 86 -4.911 -16.391 8.662 674 2HB GLU 86 HB1 GLU 86 -4.241 -17.484 9.873 675 1HG GLU 86 HG2 GLU 86 -6.421 -17.579 11.013 676 2HG GLU 86 HG1 GLU 86 -7.097 -16.464 9.825 677 H PHE 87 HN PHE 87 -2.752 -15.592 12.288 678 HA PHE 87 HA PHE 87 -0.847 -14.106 10.554 679 1HB PHE 87 HB2 PHE 87 -1.260 -14.398 13.440 680 2HB PHE 87 HB1 PHE 87 0.419 -14.717 13.021 681 HD1 PHE 87 HD2 PHE 87 1.361 -13.009 11.140 682 HD2 PHE 87 HD1 PHE 87 -1.793 -12.167 13.931 683 HE1 PHE 87 HE2 PHE 87 1.790 -10.580 10.888 684 HE2 PHE 87 HE1 PHE 87 -1.366 -9.737 13.678 685 HZ PHE 87 HZ PHE 87 0.425 -8.943 12.157 686 H PHE 88 HN PHE 88 1.284 -14.971 10.160 687 HA PHE 88 HA PHE 88 1.235 -17.870 9.687 688 1HB PHE 88 HB2 PHE 88 3.411 -15.819 9.162 689 2HB PHE 88 HB1 PHE 88 3.372 -17.469 8.539 690 HD1 PHE 88 HD1 PHE 88 1.774 -18.128 6.796 691 HD2 PHE 88 HD2 PHE 88 1.906 -14.106 8.299 692 HE1 PHE 88 HE1 PHE 88 0.401 -17.365 4.877 693 HE2 PHE 88 HE2 PHE 88 0.535 -13.343 6.379 694 HZ PHE 88 HZ PHE 88 -0.219 -14.973 4.668 695 H GLU 89 HN GLU 89 1.925 -16.006 12.323 696 HA GLU 89 HA GLU 89 4.418 -17.044 13.268 697 1HB GLU 89 HB2 GLU 89 1.980 -16.042 14.772 698 2HB GLU 89 HB1 GLU 89 3.533 -16.391 15.531 699 1HG GLU 89 HG2 GLU 89 4.629 -14.721 14.093 700 2HG GLU 89 HG1 GLU 89 3.092 -14.385 13.298 701 H HIS 90 HN HIS 90 4.845 -19.158 13.680 702 HA HIS 90 HA HIS 90 2.699 -21.098 14.048 703 1HB HIS 90 HB2 HIS 90 5.676 -21.494 14.464 704 2HB HIS 90 HB1 HIS 90 4.468 -22.748 14.183 705 HD1 HIS 90 HD1 HIS 90 2.945 -21.141 11.883 706 HD2 HIS 90 HD2 HIS 90 7.045 -21.896 12.025 707 HE1 HIS 90 HE1 HIS 90 3.788 -20.986 9.496 708 HE2 HIS 90 HE2 HIS 90 6.281 -21.445 9.572 709 H GLU 91 HN GLU 91 2.313 -22.316 15.984 710 HA GLU 91 HA GLU 91 2.816 -20.777 18.442 711 1HB GLU 91 HB2 GLU 91 1.488 -22.813 19.435 712 2HB GLU 91 HB1 GLU 91 0.636 -21.637 18.440 713 1HG GLU 91 HG2 GLU 91 1.895 -24.079 17.185 714 2HG GLU 91 HG1 GLU 91 0.304 -24.180 17.938 715 1H MET 0 HT3 MET 0 -2.301 -9.557 -11.179 716 2H MET 0 HT2 MET 0 -1.302 -9.315 -12.531 717 3H MET 0 HT1 MET 0 -2.932 -9.740 -12.744 718 HA MET 0 HA MET 0 -2.492 -11.895 -12.607 719 1HB MET 0 HB2 MET 0 0.264 -10.671 -12.673 720 2HB MET 0 HB1 MET 0 0.077 -12.422 -12.600 721 1HG MET 0 HG2 MET 0 -1.317 -10.706 -14.669 722 2HG MET 0 HG1 MET 0 0.261 -11.444 -14.943 723 1HE MET 0 HE2 MET 0 0.658 -13.720 -15.712 724 2HE MET 0 HE1 MET 0 -0.643 -14.614 -16.492 725 3HE MET 0 HE3 MET 0 -0.335 -12.930 -16.934 726 H SER 1 HN SER 1 -0.592 -13.425 -11.245 727 HA SER 1 HA SER 1 -1.677 -13.383 -8.567 728 1HB SER 1 HB2 SER 1 -0.006 -15.229 -8.177 729 2HB SER 1 HB1 SER 1 -1.079 -15.507 -9.545 730 HG SER 1 HG SER 1 1.034 -15.916 -10.172 731 H GLU 2 HN GLU 2 0.745 -11.577 -10.007 732 HA GLU 2 HA GLU 2 2.764 -11.483 -8.015 733 1HB GLU 2 HB2 GLU 2 1.812 -9.406 -9.994 734 2HB GLU 2 HB1 GLU 2 3.216 -9.168 -8.950 735 1HG GLU 2 HG2 GLU 2 4.286 -11.161 -9.878 736 2HG GLU 2 HG1 GLU 2 2.865 -11.491 -10.870 737 H LEU 3 HN LEU 3 -0.428 -9.981 -8.081 738 HA LEU 3 HA LEU 3 -0.011 -7.938 -6.179 739 1HB LEU 3 HB2 LEU 3 -2.305 -9.425 -7.240 740 2HB LEU 3 HB1 LEU 3 -2.548 -9.054 -5.538 741 HG LEU 3 HG LEU 3 -1.897 -6.633 -6.136 742 1HD1 LEU 3 HD12 LEU 3 -0.948 -7.362 -8.395 743 2HD1 LEU 3 HD11 LEU 3 -2.619 -7.554 -8.927 744 3HD1 LEU 3 HD13 LEU 3 -2.028 -5.968 -8.429 745 1HD2 LEU 3 HD23 LEU 3 -4.405 -7.914 -7.265 746 2HD2 LEU 3 HD22 LEU 3 -4.199 -7.241 -5.647 747 3HD2 LEU 3 HD21 LEU 3 -4.190 -6.176 -7.054 748 H GLU 4 HN GLU 4 -0.896 -11.363 -5.559 749 HA GLU 4 HA GLU 4 -0.834 -11.178 -2.719 750 1HB GLU 4 HB2 GLU 4 -0.322 -13.485 -4.606 751 2HB GLU 4 HB1 GLU 4 -0.306 -13.683 -2.855 752 1HG GLU 4 HG2 GLU 4 -2.636 -12.458 -4.348 753 2HG GLU 4 HG1 GLU 4 -2.532 -14.177 -3.970 754 H LYS 5 HN LYS 5 1.763 -11.894 -5.040 755 HA LYS 5 HA LYS 5 3.773 -12.536 -3.136 756 1HB LYS 5 HB2 LYS 5 3.781 -12.677 -5.757 757 2HB LYS 5 HB1 LYS 5 4.397 -11.033 -5.677 758 1HG LYS 5 HG2 LYS 5 6.393 -12.243 -5.663 759 2HG LYS 5 HG1 LYS 5 6.107 -12.060 -3.933 760 1HD LYS 5 HD2 LYS 5 5.158 -14.293 -3.795 761 2HD LYS 5 HD1 LYS 5 5.216 -14.474 -5.547 762 1HE LYS 5 HE2 LYS 5 7.733 -14.145 -5.382 763 2HE LYS 5 HE1 LYS 5 7.552 -14.306 -3.634 764 1HZ LYS 5 HZ3 LYS 5 6.269 -16.339 -5.281 765 2HZ LYS 5 HZ2 LYS 5 7.967 -16.373 -5.224 766 3HZ LYS 5 HZ1 LYS 5 7.063 -16.494 -3.789 767 H ALA 6 HN ALA 6 2.731 -9.409 -4.457 768 HA ALA 6 HA ALA 6 4.772 -7.812 -3.270 769 1HB ALA 6 HB2 ALA 6 1.907 -7.070 -3.935 770 2HB ALA 6 HB1 ALA 6 3.210 -5.926 -3.612 771 3HB ALA 6 HB3 ALA 6 3.283 -6.968 -5.033 772 H MET 7 HN MET 7 1.461 -8.534 -2.039 773 HA MET 7 HA MET 7 1.762 -7.066 0.386 774 1HB MET 7 HB2 MET 7 0.048 -9.441 -0.368 775 2HB MET 7 HB1 MET 7 0.005 -8.774 1.261 776 1HG MET 7 HG2 MET 7 -1.725 -7.595 0.235 777 2HG MET 7 HG1 MET 7 -0.384 -6.481 -0.002 778 1HE MET 7 HE1 MET 7 -2.375 -9.396 -1.316 779 2HE MET 7 HE3 MET 7 -3.334 -7.971 -1.740 780 3HE MET 7 HE2 MET 7 -2.668 -8.997 -3.008 781 H VAL 8 HN VAL 8 2.577 -10.435 -0.391 782 HA VAL 8 HA VAL 8 3.267 -11.238 2.250 783 HB VAL 8 HB VAL 8 4.291 -12.148 -0.452 784 1HG1 VAL 8 HG12 VAL 8 4.807 -13.228 2.327 785 2HG1 VAL 8 HG11 VAL 8 4.996 -14.213 0.877 786 3HG1 VAL 8 HG13 VAL 8 5.994 -12.777 1.104 787 1HG2 VAL 8 HG21 VAL 8 1.833 -12.442 0.260 788 2HG2 VAL 8 HG23 VAL 8 2.691 -13.896 -0.246 789 3HG2 VAL 8 HG22 VAL 8 2.441 -13.572 1.470 790 H ALA 9 HN ALA 9 5.200 -9.646 -0.280 791 HA ALA 9 HA ALA 9 7.687 -9.761 1.146 792 1HB ALA 9 HB3 ALA 9 6.743 -7.760 -0.926 793 2HB ALA 9 HB2 ALA 9 8.414 -7.985 -0.410 794 3HB ALA 9 HB1 ALA 9 7.572 -9.279 -1.262 795 H LEU 10 HN LEU 10 5.105 -7.302 1.054 796 HA LEU 10 HA LEU 10 6.493 -5.362 2.634 797 1HB LEU 10 HB2 LEU 10 3.541 -5.888 2.232 798 2HB LEU 10 HB1 LEU 10 4.153 -4.510 3.140 799 HG LEU 10 HG LEU 10 5.071 -5.077 0.310 800 1HD1 LEU 10 HD13 LEU 10 2.631 -3.559 1.262 801 2HD1 LEU 10 HD12 LEU 10 3.359 -3.290 -0.321 802 3HD1 LEU 10 HD11 LEU 10 2.697 -4.873 0.087 803 1HD2 LEU 10 HD23 LEU 10 5.116 -2.679 2.169 804 2HD2 LEU 10 HD22 LEU 10 6.473 -3.456 1.358 805 3HD2 LEU 10 HD21 LEU 10 5.324 -2.502 0.430 806 H ILE 11 HN ILE 11 4.294 -8.014 3.589 807 HA ILE 11 HA ILE 11 4.321 -7.305 6.382 808 HB ILE 11 HB ILE 11 3.735 -9.941 5.008 809 1HG1 ILE 11 HG12 ILE 11 1.845 -7.889 6.196 810 2HG1 ILE 11 HG11 ILE 11 2.269 -7.938 4.486 811 1HG2 ILE 11 HG21 ILE 11 3.416 -9.040 7.879 812 2HG2 ILE 11 HG23 ILE 11 2.506 -10.393 7.204 813 3HG2 ILE 11 HG22 ILE 11 4.266 -10.464 7.277 814 1HD1 ILE 11 HD11 ILE 11 1.499 -10.372 4.497 815 2HD1 ILE 11 HD13 ILE 11 0.824 -10.053 6.095 816 3HD1 ILE 11 HD12 ILE 11 0.228 -9.166 4.692 817 H ASP 12 HN ASP 12 6.150 -9.743 4.518 818 HA ASP 12 HA ASP 12 7.634 -10.764 6.720 819 1HB ASP 12 HB2 ASP 12 7.507 -11.857 4.499 820 2HB ASP 12 HB1 ASP 12 8.491 -10.561 3.819 821 H VAL 13 HN VAL 13 8.327 -8.044 4.529 822 HA VAL 13 HA VAL 13 10.964 -7.544 5.543 823 HB VAL 13 HB VAL 13 8.965 -5.762 4.128 824 1HG1 VAL 13 HG11 VAL 13 11.810 -5.230 5.007 825 2HG1 VAL 13 HG13 VAL 13 11.060 -4.350 3.676 826 3HG1 VAL 13 HG12 VAL 13 10.378 -4.242 5.298 827 1HG2 VAL 13 HG21 VAL 13 10.055 -7.809 2.991 828 2HG2 VAL 13 HG23 VAL 13 10.207 -6.258 2.165 829 3HG2 VAL 13 HG22 VAL 13 11.564 -6.902 3.088 830 H PHE 14 HN PHE 14 7.777 -6.227 6.483 831 HA PHE 14 HA PHE 14 8.745 -4.254 8.287 832 1HB PHE 14 HB2 PHE 14 6.369 -4.480 7.531 833 2HB PHE 14 HB1 PHE 14 6.210 -5.889 8.576 834 HD1 PHE 14 HD1 PHE 14 6.636 -2.233 8.468 835 HD2 PHE 14 HD2 PHE 14 6.162 -5.660 11.015 836 HE1 PHE 14 HE1 PHE 14 6.130 -0.739 10.382 837 HE2 PHE 14 HE2 PHE 14 5.662 -4.164 12.932 838 HZ PHE 14 HZ PHE 14 5.643 -1.701 12.615 839 H HIS 15 HN HIS 15 7.856 -7.654 8.900 840 HA HIS 15 HA HIS 15 8.351 -7.655 11.689 841 1HB HIS 15 HB2 HIS 15 7.190 -9.477 10.528 842 2HB HIS 15 HB1 HIS 15 8.684 -9.913 9.700 843 HD1 HIS 15 HD1 HIS 15 7.469 -9.495 13.303 844 HD2 HIS 15 HD2 HIS 15 10.150 -11.796 11.082 845 HE1 HIS 15 HE1 HIS 15 8.480 -11.173 14.910 846 HE2 HIS 15 HE2 HIS 15 10.121 -12.569 13.573 847 H GLN 16 HN GLN 16 10.625 -8.315 9.004 848 HA GLN 16 HA GLN 16 12.790 -9.181 10.628 849 1HB GLN 16 HB2 GLN 16 12.769 -7.761 7.953 850 2HB GLN 16 HB1 GLN 16 14.221 -8.449 8.685 851 1HG GLN 16 HG2 GLN 16 13.249 -10.667 8.684 852 2HG GLN 16 HG1 GLN 16 11.694 -10.031 8.150 853 1HE2 GLN 16 HE22 GLN 16 13.594 -11.324 5.167 854 2HE2 GLN 16 HE21 GLN 16 13.114 -12.022 6.638 855 H TYR 17 HN TYR 17 12.140 -5.879 9.381 856 HA TYR 17 HA TYR 17 14.369 -4.730 10.811 857 1HB TYR 17 HB2 TYR 17 11.943 -3.551 9.453 858 2HB TYR 17 HB1 TYR 17 13.100 -2.537 10.318 859 HD1 TYR 17 HD2 TYR 17 12.758 -5.001 7.552 860 HD2 TYR 17 HD1 TYR 17 15.231 -2.009 9.381 861 HE1 TYR 17 HE2 TYR 17 14.273 -5.064 5.594 862 HE2 TYR 17 HE1 TYR 17 16.755 -2.074 7.424 863 HH TYR 17 HH TYR 17 16.304 -4.433 4.824 864 H SER 18 HN SER 18 10.907 -5.036 11.571 865 HA SER 18 HA SER 18 10.898 -3.373 13.880 866 1HB SER 18 HB2 SER 18 8.863 -4.480 14.490 867 2HB SER 18 HB1 SER 18 8.887 -4.424 12.730 868 HG SER 18 HG SER 18 8.460 -6.520 14.002 869 H GLY 19 HN GLY 19 11.681 -6.822 13.516 870 1HA GLY 19 HA2 GLY 19 12.137 -7.195 16.362 871 2HA GLY 19 HA1 GLY 19 12.568 -8.336 15.088 872 H ARG 20 HN ARG 20 14.228 -6.623 13.531 873 HA ARG 20 HA ARG 20 16.723 -6.943 14.857 874 1HB ARG 20 HB2 ARG 20 16.385 -6.697 12.370 875 2HB ARG 20 HB1 ARG 20 16.106 -4.981 12.632 876 1HG ARG 20 HG2 ARG 20 18.375 -4.820 12.269 877 2HG ARG 20 HG1 ARG 20 18.476 -5.258 13.969 878 1HD ARG 20 HD2 ARG 20 18.525 -7.284 11.709 879 2HD ARG 20 HD1 ARG 20 19.969 -6.609 12.456 880 HE ARG 20 HE ARG 20 18.510 -7.594 14.601 881 1HH1 ARG 20 HH21 ARG 20 19.670 -8.798 11.582 882 2HH1 ARG 20 HH22 ARG 20 19.866 -10.421 12.154 883 1HH2 ARG 20 HH11 ARG 20 18.777 -9.710 15.366 884 2HH2 ARG 20 HH12 ARG 20 19.363 -10.936 14.293 885 H GLU 21 HN GLU 21 14.673 -4.036 14.475 886 HA GLU 21 HA GLU 21 15.638 -2.947 16.975 887 1HB GLU 21 HB2 GLU 21 17.565 -2.538 15.327 888 2HB GLU 21 HB1 GLU 21 16.484 -1.416 14.504 889 1HG GLU 21 HG2 GLU 21 17.052 -1.202 17.471 890 2HG GLU 21 HG1 GLU 21 18.058 -0.407 16.263 891 H GLY 22 HN GLY 22 14.377 -1.146 17.626 892 1HA GLY 22 HA2 GLY 22 12.804 0.654 17.218 893 2HA GLY 22 HA1 GLY 22 12.379 -0.089 15.676 894 H ASP 23 HN ASP 23 12.252 -0.769 19.184 895 HA ASP 23 HA ASP 23 10.660 -1.964 20.434 896 1HB ASP 23 HB2 ASP 23 8.902 -0.774 18.278 897 2HB ASP 23 HB1 ASP 23 8.304 -1.489 19.776 898 H LYS 24 HN LYS 24 8.714 -3.612 20.090 899 HA LYS 24 HA LYS 24 9.747 -5.675 18.218 900 1HB LYS 24 HB2 LYS 24 7.780 -5.757 20.513 901 2HB LYS 24 HB1 LYS 24 8.155 -7.152 19.507 902 1HG LYS 24 HG2 LYS 24 10.527 -6.987 20.111 903 2HG LYS 24 HG1 LYS 24 10.196 -5.561 21.092 904 1HD LYS 24 HD2 LYS 24 8.635 -8.065 21.678 905 2HD LYS 24 HD1 LYS 24 10.319 -8.004 22.189 906 1HE LYS 24 HE2 LYS 24 8.894 -7.209 24.008 907 2HE LYS 24 HE1 LYS 24 9.849 -5.864 23.386 908 1HZ LYS 24 HZ3 LYS 24 7.089 -6.459 22.483 909 2HZ LYS 24 HZ2 LYS 24 7.446 -5.377 23.745 910 3HZ LYS 24 HZ1 LYS 24 8.002 -5.064 22.170 911 H HIS 25 HN HIS 25 6.857 -3.720 18.806 912 HA HIS 25 HA HIS 25 5.717 -4.749 16.235 913 1HB HIS 25 HB2 HIS 25 3.462 -4.601 17.329 914 2HB HIS 25 HB1 HIS 25 4.502 -5.850 18.016 915 HD1 HIS 25 HD1 HIS 25 6.151 -4.643 20.053 916 HD2 HIS 25 HD2 HIS 25 2.302 -3.177 19.389 917 HE1 HIS 25 HE1 HIS 25 5.493 -3.381 22.149 918 HE2 HIS 25 HE2 HIS 25 3.156 -2.477 21.753 919 H LYS 26 HN LYS 26 7.135 -2.167 17.225 920 HA LYS 26 HA LYS 26 5.105 -0.296 16.053 921 1HB LYS 26 HB2 LYS 26 6.882 0.286 18.446 922 2HB LYS 26 HB1 LYS 26 5.796 1.432 17.669 923 1HG LYS 26 HG2 LYS 26 3.866 0.017 18.235 924 2HG LYS 26 HG1 LYS 26 4.941 -1.176 18.960 925 1HD LYS 26 HD2 LYS 26 4.293 0.014 20.857 926 2HD LYS 26 HD1 LYS 26 5.759 0.886 20.418 927 1HE LYS 26 HE2 LYS 26 4.084 2.549 20.832 928 2HE LYS 26 HE1 LYS 26 4.263 2.468 19.081 929 1HZ LYS 26 HZ2 LYS 26 2.280 0.755 20.409 930 2HZ LYS 26 HZ1 LYS 26 1.918 2.395 20.149 931 3HZ LYS 26 HZ3 LYS 26 2.275 1.388 18.832 932 H LEU 27 HN LEU 27 6.053 1.450 14.863 933 HA LEU 27 HA LEU 27 8.821 0.865 13.922 934 1HB LEU 27 HB2 LEU 27 6.872 1.069 12.301 935 2HB LEU 27 HB1 LEU 27 6.779 2.771 12.743 936 HG LEU 27 HG LEU 27 9.329 2.820 12.127 937 1HD1 LEU 27 HD12 LEU 27 8.373 0.320 10.690 938 2HD1 LEU 27 HD11 LEU 27 9.841 1.200 10.268 939 3HD1 LEU 27 HD13 LEU 27 9.698 0.433 11.846 940 1HD2 LEU 27 HD22 LEU 27 7.100 2.570 10.086 941 2HD2 LEU 27 HD21 LEU 27 7.691 4.049 10.841 942 3HD2 LEU 27 HD23 LEU 27 8.712 3.173 9.701 943 H LYS 28 HN LYS 28 10.472 2.193 14.501 944 HA LYS 28 HA LYS 28 9.811 4.791 15.829 945 1HB LYS 28 HB2 LYS 28 12.172 2.917 16.059 946 2HB LYS 28 HB1 LYS 28 12.239 4.572 16.658 947 1HG LYS 28 HG2 LYS 28 9.948 2.786 17.474 948 2HG LYS 28 HG1 LYS 28 11.505 2.631 18.285 949 1HD LYS 28 HD2 LYS 28 11.442 5.059 18.830 950 2HD LYS 28 HD1 LYS 28 9.854 5.175 18.079 951 1HE LYS 28 HE2 LYS 28 10.378 3.180 20.281 952 2HE LYS 28 HE1 LYS 28 9.948 4.850 20.646 953 1HZ LYS 28 HZ1 LYS 28 8.028 4.473 19.040 954 2HZ LYS 28 HZ3 LYS 28 8.361 2.818 19.204 955 3HZ LYS 28 HZ2 LYS 28 7.925 3.735 20.568 956 H LYS 29 HN LYS 29 11.687 6.430 15.523 957 HA LYS 29 HA LYS 29 11.755 7.246 12.805 958 1HB LYS 29 HB2 LYS 29 13.579 7.977 15.111 959 2HB LYS 29 HB1 LYS 29 13.549 8.818 13.563 960 1HG LYS 29 HG2 LYS 29 11.171 9.376 13.905 961 2HG LYS 29 HG1 LYS 29 11.198 8.536 15.458 962 1HD LYS 29 HD2 LYS 29 12.953 10.074 16.264 963 2HD LYS 29 HD1 LYS 29 12.924 10.918 14.716 964 1HE LYS 29 HE2 LYS 29 10.661 10.718 16.721 965 2HE LYS 29 HE1 LYS 29 11.557 12.169 16.276 966 1HZ LYS 29 HZ3 LYS 29 10.753 11.583 13.910 967 2HZ LYS 29 HZ2 LYS 29 9.572 10.661 14.711 968 3HZ LYS 29 HZ1 LYS 29 9.678 12.334 14.984 969 H SER 30 HN SER 30 14.140 5.455 14.734 970 HA SER 30 HA SER 30 16.276 5.543 12.878 971 1HB SER 30 HB2 SER 30 15.542 3.319 14.800 972 2HB SER 30 HB1 SER 30 17.108 3.517 14.020 973 HG SER 30 HG SER 30 17.547 5.162 15.298 974 H GLU 31 HN GLU 31 13.542 3.248 13.085 975 HA GLU 31 HA GLU 31 14.542 1.545 10.990 976 1HB GLU 31 HB2 GLU 31 11.745 2.018 12.050 977 2HB GLU 31 HB1 GLU 31 12.124 0.805 10.827 978 1HG GLU 31 HG2 GLU 31 13.816 -0.165 12.426 979 2HG GLU 31 HG1 GLU 31 13.207 0.947 13.653 980 H LEU 32 HN LEU 32 12.376 4.369 10.997 981 HA LEU 32 HA LEU 32 11.672 4.269 8.238 982 1HB LEU 32 HB2 LEU 32 10.533 5.738 9.879 983 2HB LEU 32 HB1 LEU 32 11.999 6.697 10.032 984 HG LEU 32 HG LEU 32 11.835 7.164 7.530 985 1HD1 LEU 32 HD13 LEU 32 9.186 5.772 7.981 986 2HD1 LEU 32 HD12 LEU 32 9.431 6.913 6.662 987 3HD1 LEU 32 HD11 LEU 32 10.389 5.440 6.736 988 1HD2 LEU 32 HD21 LEU 32 11.115 8.762 9.298 989 2HD2 LEU 32 HD23 LEU 32 10.151 8.904 7.828 990 3HD2 LEU 32 HD22 LEU 32 9.496 8.065 9.235 991 H LYS 33 HN LYS 33 14.296 6.039 9.888 992 HA LYS 33 HA LYS 33 15.424 7.217 7.564 993 1HB LYS 33 HB2 LYS 33 15.986 7.783 9.950 994 2HB LYS 33 HB1 LYS 33 16.939 6.302 10.026 995 1HG LYS 33 HG2 LYS 33 18.245 7.138 8.034 996 2HG LYS 33 HG1 LYS 33 17.389 8.671 8.187 997 1HD LYS 33 HD2 LYS 33 19.105 7.386 10.335 998 2HD LYS 33 HD1 LYS 33 19.575 8.755 9.332 999 1HE LYS 33 HE2 LYS 33 17.482 8.645 11.499 1000 2HE LYS 33 HE1 LYS 33 18.822 9.773 11.316 1001 1HZ LYS 33 HZ3 LYS 33 16.508 9.610 9.466 1002 2HZ LYS 33 HZ2 LYS 33 16.653 10.739 10.726 1003 3HZ LYS 33 HZ1 LYS 33 17.754 10.760 9.433 1004 H GLU 34 HN GLU 34 16.148 4.089 9.124 1005 HA GLU 34 HA GLU 34 18.211 3.387 7.228 1006 1HB GLU 34 HB2 GLU 34 16.530 1.679 9.086 1007 2HB GLU 34 HB1 GLU 34 17.879 1.063 8.134 1008 1HG GLU 34 HG2 GLU 34 18.086 3.313 10.161 1009 2HG GLU 34 HG1 GLU 34 18.545 1.639 10.469 1010 H LEU 35 HN LEU 35 14.727 2.719 7.425 1011 HA LEU 35 HA LEU 35 14.583 0.881 5.270 1012 1HB LEU 35 HB2 LEU 35 12.711 1.282 6.817 1013 2HB LEU 35 HB1 LEU 35 12.522 2.913 6.186 1014 HG LEU 35 HG LEU 35 12.023 1.944 3.932 1015 1HD1 LEU 35 HD13 LEU 35 12.382 -0.632 5.469 1016 2HD1 LEU 35 HD12 LEU 35 11.364 -0.565 4.031 1017 3HD1 LEU 35 HD11 LEU 35 13.075 -0.179 3.912 1018 1HD2 LEU 35 HD21 LEU 35 10.205 2.526 5.498 1019 2HD2 LEU 35 HD23 LEU 35 9.774 1.119 4.527 1020 3HD2 LEU 35 HD22 LEU 35 10.292 0.911 6.199 1021 H ILE 36 HN ILE 36 14.257 4.453 5.237 1022 HA ILE 36 HA ILE 36 13.833 4.625 2.410 1023 HB ILE 36 HB ILE 36 14.966 6.649 4.357 1024 1HG1 ILE 36 HG12 ILE 36 12.229 6.459 3.054 1025 2HG1 ILE 36 HG11 ILE 36 12.589 5.835 4.663 1026 1HG2 ILE 36 HG23 ILE 36 14.303 6.824 1.416 1027 2HG2 ILE 36 HG22 ILE 36 14.183 8.250 2.446 1028 3HG2 ILE 36 HG21 ILE 36 15.728 7.422 2.264 1029 1HD1 ILE 36 HD11 ILE 36 13.470 8.225 5.169 1030 2HD1 ILE 36 HD13 ILE 36 12.585 8.699 3.720 1031 3HD1 ILE 36 HD12 ILE 36 11.726 7.990 5.086 1032 H ASN 37 HN ASN 37 16.773 4.676 4.383 1033 HA ASN 37 HA ASN 37 18.587 5.272 2.249 1034 1HB ASN 37 HB2 ASN 37 19.095 5.391 4.719 1035 2HB ASN 37 HB1 ASN 37 19.189 3.630 4.721 1036 1HD2 ASN 37 HD22 ASN 37 22.093 5.745 2.707 1037 2HD2 ASN 37 HD21 ASN 37 20.568 6.453 2.942 1038 H ASN 38 HN ASN 38 17.171 2.238 3.371 1039 HA ASN 38 HA ASN 38 18.805 0.284 2.354 1040 1HB ASN 38 HB2 ASN 38 15.797 0.483 2.109 1041 2HB ASN 38 HB1 ASN 38 16.705 -0.981 1.732 1042 1HD2 ASN 38 HD22 ASN 38 17.770 -0.274 5.493 1043 2HD2 ASN 38 HD21 ASN 38 18.461 0.478 4.136 1044 H GLU 39 HN GLU 39 16.077 0.606 0.188 1045 HA GLU 39 HA GLU 39 17.999 0.878 -2.108 1046 1HB GLU 39 HB2 GLU 39 16.609 -1.239 -1.922 1047 2HB GLU 39 HB1 GLU 39 15.185 -0.234 -2.192 1048 1HG GLU 39 HG2 GLU 39 16.282 0.603 -4.311 1049 2HG GLU 39 HG1 GLU 39 17.533 -0.612 -4.067 1050 H LEU 40 HN LEU 40 15.112 2.220 -0.609 1051 HA LEU 40 HA LEU 40 14.180 3.719 -2.850 1052 1HB LEU 40 HB2 LEU 40 14.045 4.502 0.080 1053 2HB LEU 40 HB1 LEU 40 13.028 5.135 -1.213 1054 HG LEU 40 HG LEU 40 13.136 2.242 -0.297 1055 1HD1 LEU 40 HD11 LEU 40 11.984 3.957 1.209 1056 2HD1 LEU 40 HD13 LEU 40 10.827 4.186 -0.099 1057 3HD1 LEU 40 HD12 LEU 40 10.986 2.609 0.673 1058 1HD2 LEU 40 HD23 LEU 40 11.745 3.642 -2.578 1059 2HD2 LEU 40 HD22 LEU 40 12.565 2.080 -2.562 1060 3HD2 LEU 40 HD21 LEU 40 10.978 2.244 -1.819 1061 H SER 41 HN SER 41 15.189 5.296 -3.928 1062 HA SER 41 HA SER 41 16.687 7.385 -2.572 1063 1HB SER 41 HB2 SER 41 18.867 6.899 -3.410 1064 2HB SER 41 HB1 SER 41 18.285 5.390 -2.715 1065 HG SER 41 HG SER 41 17.629 4.793 -4.847 1066 H HIS 42 HN HIS 42 16.095 5.735 -5.689 1067 HA HIS 42 HA HIS 42 16.557 8.005 -7.346 1068 1HB HIS 42 HB2 HIS 42 16.302 5.707 -8.238 1069 2HB HIS 42 HB1 HIS 42 14.596 5.732 -7.789 1070 HD1 HIS 42 HD1 HIS 42 12.991 6.831 -9.413 1071 HD2 HIS 42 HD2 HIS 42 16.974 7.711 -10.285 1072 HE1 HIS 42 HE1 HIS 42 12.984 8.087 -11.616 1073 HE2 HIS 42 HE2 HIS 42 15.404 8.620 -12.158 1074 H PHE 43 HN PHE 43 13.566 6.818 -5.808 1075 HA PHE 43 HA PHE 43 11.857 8.876 -6.838 1076 1HB PHE 43 HB2 PHE 43 11.716 7.042 -4.441 1077 2HB PHE 43 HB1 PHE 43 10.462 8.244 -4.742 1078 HD1 PHE 43 HD1 PHE 43 12.263 5.359 -6.275 1079 HD2 PHE 43 HD2 PHE 43 8.775 7.864 -6.365 1080 HE1 PHE 43 HE1 PHE 43 11.219 3.845 -7.936 1081 HE2 PHE 43 HE2 PHE 43 7.730 6.349 -8.028 1082 HZ PHE 43 HZ PHE 43 8.952 4.339 -8.813 1083 H LEU 44 HN LEU 44 13.707 8.624 -3.805 1084 HA LEU 44 HA LEU 44 13.421 11.591 -3.464 1085 1HB LEU 44 HB2 LEU 44 13.251 9.462 -1.304 1086 2HB LEU 44 HB1 LEU 44 13.287 11.197 -1.006 1087 HG LEU 44 HG LEU 44 11.196 9.958 -2.810 1088 1HD1 LEU 44 HD11 LEU 44 11.188 10.217 0.202 1089 2HD1 LEU 44 HD13 LEU 44 9.700 10.107 -0.737 1090 3HD1 LEU 44 HD12 LEU 44 10.860 8.780 -0.765 1091 1HD2 LEU 44 HD23 LEU 44 11.447 12.552 -1.254 1092 2HD2 LEU 44 HD22 LEU 44 11.289 12.350 -2.998 1093 3HD2 LEU 44 HD21 LEU 44 9.923 12.002 -1.944 1094 H GLU 45 HN GLU 45 15.306 12.620 -2.807 1095 HA GLU 45 HA GLU 45 17.804 11.340 -3.293 1096 1HB GLU 45 HB2 GLU 45 18.622 13.417 -1.806 1097 2HB GLU 45 HB1 GLU 45 18.001 13.652 -3.437 1098 1HG GLU 45 HG2 GLU 45 17.024 15.183 -1.645 1099 2HG GLU 45 HG1 GLU 45 15.855 14.317 -2.638 1100 H GLU 46 HN GLU 46 19.528 10.914 -1.666 1101 HA GLU 46 HA GLU 46 18.592 9.216 0.435 1102 1HB GLU 46 HB2 GLU 46 20.950 9.137 1.166 1103 2HB GLU 46 HB1 GLU 46 20.822 8.946 -0.583 1104 1HG GLU 46 HG2 GLU 46 21.257 11.414 -0.815 1105 2HG GLU 46 HG1 GLU 46 21.569 11.468 0.920 1106 H ILE 47 HN ILE 47 19.207 9.583 2.798 1107 HA ILE 47 HA ILE 47 18.006 12.099 3.647 1108 HB ILE 47 HB ILE 47 19.321 9.904 5.276 1109 1HG1 ILE 47 HG12 ILE 47 17.465 8.989 3.996 1110 2HG1 ILE 47 HG11 ILE 47 16.959 9.164 5.673 1111 1HG2 ILE 47 HG23 ILE 47 17.564 12.249 5.995 1112 2HG2 ILE 47 HG22 ILE 47 17.788 10.869 7.070 1113 3HG2 ILE 47 HG21 ILE 47 19.168 11.869 6.614 1114 1HD1 ILE 47 HD11 ILE 47 16.068 11.512 4.865 1115 2HD1 ILE 47 HD13 ILE 47 16.129 10.765 3.270 1116 3HD1 ILE 47 HD12 ILE 47 15.128 10.059 4.536 1117 H LYS 48 HN LYS 48 19.180 13.930 3.629 1118 HA LYS 48 HA LYS 48 22.103 13.840 4.108 1119 1HB LYS 48 HB2 LYS 48 21.035 15.228 2.258 1120 2HB LYS 48 HB1 LYS 48 20.371 16.255 3.528 1121 1HG LYS 48 HG2 LYS 48 22.555 16.890 4.279 1122 2HG LYS 48 HG1 LYS 48 23.327 15.646 3.305 1123 1HD LYS 48 HD2 LYS 48 23.576 17.839 2.232 1124 2HD LYS 48 HD1 LYS 48 22.563 16.786 1.247 1125 1HE LYS 48 HE2 LYS 48 21.726 19.183 1.572 1126 2HE LYS 48 HE1 LYS 48 20.568 17.904 1.923 1127 1HZ LYS 48 HZ1 LYS 48 22.296 19.060 4.027 1128 2HZ LYS 48 HZ3 LYS 48 20.807 19.760 3.618 1129 3HZ LYS 48 HZ2 LYS 48 20.861 18.169 4.210 1130 H GLU 49 HN GLU 49 19.696 16.231 5.219 1131 HA GLU 49 HA GLU 49 20.968 16.150 7.924 1132 1HB GLU 49 HB2 GLU 49 19.210 18.205 6.553 1133 2HB GLU 49 HB1 GLU 49 19.663 18.300 8.255 1134 1HG GLU 49 HG2 GLU 49 22.047 18.291 7.627 1135 2HG GLU 49 HG1 GLU 49 21.596 18.193 5.927 1136 H GLN 50 HN GLN 50 19.670 15.894 9.792 1137 HA GLN 50 HA GLN 50 17.471 14.093 9.602 1138 1HB GLN 50 HB2 GLN 50 18.901 14.458 11.647 1139 2HB GLN 50 HB1 GLN 50 18.049 15.981 11.905 1140 1HG GLN 50 HG2 GLN 50 15.900 14.755 12.009 1141 2HG GLN 50 HG1 GLN 50 16.765 13.235 11.776 1142 1HE2 GLN 50 HE22 GLN 50 16.472 14.710 15.479 1143 2HE2 GLN 50 HE21 GLN 50 15.524 15.245 14.177 1144 H GLU 51 HN GLU 51 17.634 17.586 9.556 1145 HA GLU 51 HA GLU 51 15.002 18.283 10.259 1146 1HB GLU 51 HB2 GLU 51 16.740 19.482 8.079 1147 2HB GLU 51 HB1 GLU 51 15.320 20.254 8.784 1148 1HG GLU 51 HG2 GLU 51 17.748 19.392 10.381 1149 2HG GLU 51 HG1 GLU 51 17.486 21.032 9.788 1150 H VAL 52 HN VAL 52 16.262 17.121 7.141 1151 HA VAL 52 HA VAL 52 13.871 17.486 5.638 1152 HB VAL 52 HB VAL 52 16.079 15.423 5.395 1153 1HG1 VAL 52 HG11 VAL 52 13.652 15.947 3.675 1154 2HG1 VAL 52 HG13 VAL 52 15.123 15.252 2.993 1155 3HG1 VAL 52 HG12 VAL 52 14.260 14.405 4.275 1156 1HG2 VAL 52 HG21 VAL 52 15.442 17.979 3.890 1157 2HG2 VAL 52 HG23 VAL 52 16.769 17.745 5.028 1158 3HG2 VAL 52 HG22 VAL 52 16.759 16.876 3.495 1159 H VAL 53 HN VAL 53 15.016 14.705 7.553 1160 HA VAL 53 HA VAL 53 12.787 13.008 7.034 1161 HB VAL 53 HB VAL 53 14.645 13.190 9.421 1162 1HG1 VAL 53 HG11 VAL 53 12.458 11.226 8.733 1163 2HG1 VAL 53 HG13 VAL 53 13.843 10.740 9.713 1164 3HG1 VAL 53 HG12 VAL 53 12.774 12.027 10.271 1165 1HG2 VAL 53 HG22 VAL 53 15.617 12.641 7.176 1166 2HG2 VAL 53 HG21 VAL 53 15.796 11.340 8.353 1167 3HG2 VAL 53 HG23 VAL 53 14.553 11.237 7.105 1168 H ASP 54 HN ASP 54 13.367 15.371 9.650 1169 HA ASP 54 HA ASP 54 10.935 14.884 11.053 1170 1HB ASP 54 HB2 ASP 54 12.647 17.368 10.813 1171 2HB ASP 54 HB1 ASP 54 11.249 17.266 11.884 1172 H LYS 55 HN LYS 55 11.660 17.074 8.342 1173 HA LYS 55 HA LYS 55 9.095 18.353 8.317 1174 1HB LYS 55 HB2 LYS 55 11.078 19.227 7.105 1175 2HB LYS 55 HB1 LYS 55 10.979 17.857 6.000 1176 1HG LYS 55 HG2 LYS 55 8.760 18.561 5.254 1177 2HG LYS 55 HG1 LYS 55 8.746 19.860 6.444 1178 1HD LYS 55 HD2 LYS 55 9.385 20.987 4.491 1179 2HD LYS 55 HD1 LYS 55 10.939 20.653 5.250 1180 1HE LYS 55 HE2 LYS 55 11.112 18.579 3.835 1181 2HE LYS 55 HE1 LYS 55 9.636 19.074 3.011 1182 1HZ LYS 55 HZ3 LYS 55 11.586 21.166 3.171 1183 2HZ LYS 55 HZ2 LYS 55 12.161 19.804 2.333 1184 3HZ LYS 55 HZ1 LYS 55 10.737 20.580 1.825 1185 H VAL 56 HN VAL 56 10.327 15.444 6.691 1186 HA VAL 56 HA VAL 56 7.972 14.984 5.112 1187 HB VAL 56 HB VAL 56 10.144 13.111 6.091 1188 1HG1 VAL 56 HG11 VAL 56 7.781 12.648 4.264 1189 2HG1 VAL 56 HG13 VAL 56 9.248 11.676 4.135 1190 3HG1 VAL 56 HG12 VAL 56 8.314 11.670 5.631 1191 1HG2 VAL 56 HG21 VAL 56 10.859 14.898 4.536 1192 2HG2 VAL 56 HG23 VAL 56 10.942 13.316 3.763 1193 3HG2 VAL 56 HG22 VAL 56 9.605 14.406 3.398 1194 H MET 57 HN MET 57 9.021 13.632 8.252 1195 HA MET 57 HA MET 57 6.646 12.037 8.609 1196 1HB MET 57 HB2 MET 57 8.711 13.069 10.574 1197 2HB MET 57 HB1 MET 57 7.418 11.951 11.012 1198 1HG MET 57 HG2 MET 57 8.235 10.338 9.333 1199 2HG MET 57 HG1 MET 57 9.520 11.454 8.883 1200 1HE MET 57 HE1 MET 57 7.759 9.527 11.455 1201 2HE MET 57 HE3 MET 57 8.989 8.841 12.523 1202 3HE MET 57 HE2 MET 57 8.346 10.450 12.834 1203 H GLU 58 HN GLU 58 7.577 15.284 9.699 1204 HA GLU 58 HA GLU 58 5.318 15.728 11.387 1205 1HB GLU 58 HB2 GLU 58 7.368 17.118 11.421 1206 2HB GLU 58 HB1 GLU 58 6.963 17.743 9.826 1207 1HG GLU 58 HG2 GLU 58 6.258 19.354 11.510 1208 2HG GLU 58 HG1 GLU 58 4.823 18.648 10.776 1209 H THR 59 HN THR 59 5.796 16.377 7.917 1210 HA THR 59 HA THR 59 3.320 17.787 7.579 1211 HB THR 59 HB THR 59 4.931 16.215 5.551 1212 HG1 THR 59 HG1 THR 59 5.704 18.347 5.075 1213 1HG2 THR 59 HG23 THR 59 2.763 18.309 5.238 1214 2HG2 THR 59 HG22 THR 59 3.805 17.760 3.926 1215 3HG2 THR 59 HG21 THR 59 2.697 16.629 4.701 1216 H LEU 60 HN LEU 60 4.158 14.390 6.873 1217 HA LEU 60 HA LEU 60 1.396 13.786 6.198 1218 1HB LEU 60 HB2 LEU 60 3.285 12.629 5.104 1219 2HB LEU 60 HB1 LEU 60 3.769 11.956 6.656 1220 HG LEU 60 HG LEU 60 1.384 10.909 6.724 1221 1HD1 LEU 60 HD11 LEU 60 0.640 12.350 4.700 1222 2HD1 LEU 60 HD13 LEU 60 1.575 11.225 3.725 1223 3HD1 LEU 60 HD12 LEU 60 0.214 10.649 4.679 1224 1HD2 LEU 60 HD22 LEU 60 3.501 9.657 6.338 1225 2HD2 LEU 60 HD21 LEU 60 2.150 8.980 5.433 1226 3HD2 LEU 60 HD23 LEU 60 3.349 9.978 4.612 1227 H ASP 61 HN ASP 61 3.534 12.538 8.786 1228 HA ASP 61 HA ASP 61 1.209 11.463 10.197 1229 1HB ASP 61 HB2 ASP 61 3.636 10.515 10.118 1230 2HB ASP 61 HB1 ASP 61 3.970 11.685 11.396 1231 H GLU 62 HN GLU 62 -0.034 13.327 10.708 1232 HA GLU 62 HA GLU 62 1.052 15.581 12.155 1233 1HB GLU 62 HB2 GLU 62 -1.059 15.703 10.847 1234 2HB GLU 62 HB1 GLU 62 -1.812 14.588 11.985 1235 1HG GLU 62 HG2 GLU 62 -1.434 16.195 13.821 1236 2HG GLU 62 HG1 GLU 62 -0.675 17.312 12.686 1237 H ASP 63 HN ASP 63 -0.594 12.583 13.098 1238 HA ASP 63 HA ASP 63 -0.272 13.268 15.977 1239 1HB ASP 63 HB2 ASP 63 -1.775 11.433 16.404 1240 2HB ASP 63 HB1 ASP 63 -2.450 12.352 15.058 1241 H GLY 64 HN GLY 64 1.861 12.262 13.899 1242 1HA GLY 64 HA2 GLY 64 2.722 9.675 14.471 1243 2HA GLY 64 HA1 GLY 64 3.838 11.002 14.146 1244 H ASP 65 HN ASP 65 2.852 12.475 16.566 1245 HA ASP 65 HA ASP 65 3.710 12.727 18.737 1246 1HB ASP 65 HB2 ASP 65 2.844 11.138 20.274 1247 2HB ASP 65 HB1 ASP 65 1.707 11.136 18.930 1248 H GLY 66 HN GLY 66 5.595 11.671 16.665 1249 1HA GLY 66 HA2 GLY 66 7.920 11.222 16.818 1250 2HA GLY 66 HA1 GLY 66 7.718 10.904 18.540 1251 H GLU 67 HN GLU 67 5.356 9.151 17.054 1252 HA GLU 67 HA GLU 67 7.092 6.803 16.445 1253 1HB GLU 67 HB2 GLU 67 6.513 6.535 18.788 1254 2HB GLU 67 HB1 GLU 67 4.814 6.850 18.450 1255 1HG GLU 67 HG2 GLU 67 6.140 4.595 16.965 1256 2HG GLU 67 HG1 GLU 67 5.760 4.346 18.667 1257 H CYS 68 HN CYS 68 6.304 5.593 14.775 1258 HA CYS 68 HA CYS 68 3.672 6.416 13.596 1259 1HB CYS 68 HB2 CYS 68 5.908 4.962 12.175 1260 2HB CYS 68 HB1 CYS 68 4.562 5.852 11.464 1261 HG CYS 68 HG CYS 68 5.756 8.020 11.851 1262 H ASP 69 HN ASP 69 2.096 4.898 13.370 1263 HA ASP 69 HA ASP 69 2.602 2.182 14.427 1264 1HB ASP 69 HB2 ASP 69 0.088 3.657 13.604 1265 2HB ASP 69 HB1 ASP 69 0.092 1.974 14.137 1266 H PHE 70 HN PHE 70 1.479 0.345 13.187 1267 HA PHE 70 HA PHE 70 2.705 -0.008 10.661 1268 1HB PHE 70 HB2 PHE 70 1.657 -1.755 12.266 1269 2HB PHE 70 HB1 PHE 70 0.134 -1.384 11.466 1270 HD1 PHE 70 HD2 PHE 70 0.140 -1.484 8.839 1271 HD2 PHE 70 HD1 PHE 70 3.099 -3.354 11.333 1272 HE1 PHE 70 HE2 PHE 70 0.747 -3.011 6.981 1273 HE2 PHE 70 HE1 PHE 70 3.701 -4.878 9.476 1274 HZ PHE 70 HZ PHE 70 2.524 -4.710 7.300 1275 H GLN 71 HN GLN 71 -0.650 0.945 11.459 1276 HA GLN 71 HA GLN 71 -1.568 1.129 8.761 1277 1HB GLN 71 HB2 GLN 71 -3.096 1.184 10.707 1278 2HB GLN 71 HB1 GLN 71 -2.442 2.755 11.172 1279 1HG GLN 71 HG2 GLN 71 -3.247 3.767 9.123 1280 2HG GLN 71 HG1 GLN 71 -3.746 2.195 8.494 1281 1HE2 GLN 71 HE22 GLN 71 -6.116 4.130 11.203 1282 2HE2 GLN 71 HE21 GLN 71 -4.568 4.726 10.842 1283 H GLU 72 HN GLU 72 0.037 3.486 10.883 1284 HA GLU 72 HA GLU 72 -0.125 5.703 9.070 1285 1HB GLU 72 HB2 GLU 72 1.837 5.031 11.282 1286 2HB GLU 72 HB1 GLU 72 1.847 6.564 10.408 1287 1HG GLU 72 HG2 GLU 72 -0.480 6.989 11.101 1288 2HG GLU 72 HG1 GLU 72 -0.506 5.453 11.966 1289 H PHE 73 HN PHE 73 2.252 3.121 9.540 1290 HA PHE 73 HA PHE 73 4.219 4.041 7.695 1291 1HB PHE 73 HB2 PHE 73 4.782 2.245 9.188 1292 2HB PHE 73 HB1 PHE 73 3.438 1.261 8.613 1293 HD1 PHE 73 HD2 PHE 73 6.348 3.131 7.138 1294 HD2 PHE 73 HD1 PHE 73 4.008 -0.472 7.147 1295 HE1 PHE 73 HE2 PHE 73 7.813 2.172 5.382 1296 HE2 PHE 73 HE1 PHE 73 5.472 -1.428 5.392 1297 HZ PHE 73 HZ PHE 73 7.375 -0.106 4.509 1298 H MET 74 HN MET 74 1.297 2.083 7.245 1299 HA MET 74 HA MET 74 1.703 1.386 4.519 1300 1HB MET 74 HB2 MET 74 -0.098 0.524 6.111 1301 2HB MET 74 HB1 MET 74 -0.976 2.016 5.786 1302 1HG MET 74 HG2 MET 74 -1.864 0.475 4.228 1303 2HG MET 74 HG1 MET 74 -0.698 1.406 3.287 1304 1HE MET 74 HE2 MET 74 -1.304 -0.695 1.770 1305 2HE MET 74 HE1 MET 74 0.309 -0.064 1.452 1306 3HE MET 74 HE3 MET 74 0.038 -1.811 1.535 1307 H ALA 75 HN ALA 75 0.263 4.275 6.004 1308 HA ALA 75 HA ALA 75 -0.667 5.529 3.626 1309 1HB ALA 75 HB1 ALA 75 0.285 6.649 6.267 1310 2HB ALA 75 HB3 ALA 75 -0.339 7.677 4.976 1311 3HB ALA 75 HB2 ALA 75 -1.376 6.451 5.706 1312 H PHE 76 HN PHE 76 2.536 5.560 5.152 1313 HA PHE 76 HA PHE 76 3.712 7.601 3.559 1314 1HB PHE 76 HB2 PHE 76 4.805 6.623 5.561 1315 2HB PHE 76 HB1 PHE 76 5.035 5.111 4.682 1316 HD1 PHE 76 HD1 PHE 76 6.644 4.941 2.851 1317 HD2 PHE 76 HD2 PHE 76 6.088 8.625 4.987 1318 HE1 PHE 76 HE1 PHE 76 8.737 5.830 1.861 1319 HE2 PHE 76 HE2 PHE 76 8.182 9.514 4.000 1320 HZ PHE 76 HZ PHE 76 9.508 8.117 2.436 1321 H VAL 77 HN VAL 77 3.316 4.126 2.979 1322 HA VAL 77 HA VAL 77 4.875 3.942 0.606 1323 HB VAL 77 HB VAL 77 2.418 2.419 1.518 1324 1HG1 VAL 77 HG11 VAL 77 4.222 1.997 -0.876 1325 2HG1 VAL 77 HG13 VAL 77 3.241 0.704 -0.187 1326 3HG1 VAL 77 HG12 VAL 77 2.464 2.138 -0.856 1327 1HG2 VAL 77 HG21 VAL 77 4.647 2.313 2.797 1328 2HG2 VAL 77 HG23 VAL 77 3.964 0.774 2.272 1329 3HG2 VAL 77 HG22 VAL 77 5.295 1.498 1.373 1330 H SER 78 HN SER 78 1.472 4.867 1.096 1331 HA SER 78 HA SER 78 0.713 4.982 -1.637 1332 1HB SER 78 HB2 SER 78 -1.112 6.392 -0.899 1333 2HB SER 78 HB1 SER 78 -0.832 5.166 0.336 1334 HG SER 78 HG SER 78 -0.546 7.886 0.444 1335 H MET 79 HN MET 79 2.277 7.455 0.414 1336 HA MET 79 HA MET 79 2.126 9.595 -1.459 1337 1HB MET 79 HB2 MET 79 2.850 9.848 0.914 1338 2HB MET 79 HB1 MET 79 4.360 9.031 0.514 1339 1HG MET 79 HG2 MET 79 4.884 10.794 -1.137 1340 2HG MET 79 HG1 MET 79 3.375 11.613 -0.743 1341 1HE MET 79 HE3 MET 79 2.741 11.974 1.850 1342 2HE MET 79 HE2 MET 79 3.785 13.178 2.596 1343 3HE MET 79 HE1 MET 79 3.202 13.424 0.953 1344 H VAL 80 HN VAL 80 4.571 7.041 -1.049 1345 HA VAL 80 HA VAL 80 6.403 7.986 -3.004 1346 HB VAL 80 HB VAL 80 5.783 5.190 -2.025 1347 1HG1 VAL 80 HG13 VAL 80 7.853 6.186 -3.990 1348 2HG1 VAL 80 HG12 VAL 80 8.142 4.746 -3.013 1349 3HG1 VAL 80 HG11 VAL 80 6.784 4.790 -4.136 1350 1HG2 VAL 80 HG23 VAL 80 6.764 6.985 -0.488 1351 2HG2 VAL 80 HG22 VAL 80 7.716 5.509 -0.643 1352 3HG2 VAL 80 HG21 VAL 80 8.189 6.961 -1.527 1353 H THR 81 HN THR 81 3.575 5.839 -3.337 1354 HA THR 81 HA THR 81 3.946 5.266 -6.113 1355 HB THR 81 HB THR 81 1.370 5.439 -4.520 1356 HG1 THR 81 HG1 THR 81 1.765 3.092 -4.546 1357 1HG2 THR 81 HG23 THR 81 2.061 4.316 -7.234 1358 2HG2 THR 81 HG22 THR 81 0.689 3.707 -6.308 1359 3HG2 THR 81 HG21 THR 81 0.740 5.401 -6.798 1360 H THR 82 HN THR 82 1.954 7.780 -4.518 1361 HA THR 82 HA THR 82 1.172 9.000 -7.028 1362 HB THR 82 HB THR 82 0.303 10.820 -5.606 1363 HG1 THR 82 HG1 THR 82 0.925 11.029 -3.587 1364 1HG2 THR 82 HG22 THR 82 -0.825 8.499 -5.831 1365 2HG2 THR 82 HG21 THR 82 -0.265 8.226 -4.182 1366 3HG2 THR 82 HG23 THR 82 -1.372 9.554 -4.528 1367 H ALA 83 HN ALA 83 3.686 9.665 -4.615 1368 HA ALA 83 HA ALA 83 4.616 12.145 -5.543 1369 1HB ALA 83 HB1 ALA 83 6.157 9.801 -4.414 1370 2HB ALA 83 HB3 ALA 83 6.865 11.393 -4.673 1371 3HB ALA 83 HB2 ALA 83 5.536 11.193 -3.528 1372 H CYS 84 HN CYS 84 4.797 9.058 -7.113 1373 HA CYS 84 HA CYS 84 7.094 9.280 -8.705 1374 1HB CYS 84 HB2 CYS 84 5.566 7.321 -8.721 1375 2HB CYS 84 HB1 CYS 84 4.375 8.278 -9.605 1376 HG CYS 84 HG CYS 84 7.136 8.109 -10.962 1377 H HIS 85 HN HIS 85 7.375 11.553 -9.140 1378 HA HIS 85 HA HIS 85 5.456 13.120 -10.605 1379 1HB HIS 85 HB2 HIS 85 7.293 14.077 -9.222 1380 2HB HIS 85 HB1 HIS 85 8.461 13.471 -10.395 1381 HD1 HIS 85 HD1 HIS 85 5.364 15.710 -10.372 1382 HD2 HIS 85 HD2 HIS 85 8.970 15.269 -12.422 1383 HE1 HIS 85 HE1 HIS 85 5.513 17.655 -11.990 1384 HE2 HIS 85 HE2 HIS 85 7.705 17.396 -13.242 1385 H GLU 86 HN GLU 86 8.290 11.207 -11.583 1386 HA GLU 86 HA GLU 86 7.862 11.881 -14.428 1387 1HB GLU 86 HB2 GLU 86 9.882 10.114 -13.020 1388 2HB GLU 86 HB1 GLU 86 9.863 10.408 -14.760 1389 1HG GLU 86 HG2 GLU 86 10.134 12.821 -14.372 1390 2HG GLU 86 HG1 GLU 86 10.113 12.553 -12.629 1391 H PHE 87 HN PHE 87 6.625 10.650 -15.757 1392 HA PHE 87 HA PHE 87 5.682 8.000 -14.790 1393 1HB PHE 87 HB2 PHE 87 4.562 10.137 -16.447 1394 2HB PHE 87 HB1 PHE 87 4.430 8.587 -17.270 1395 HD1 PHE 87 HD2 PHE 87 3.737 6.576 -15.599 1396 HD2 PHE 87 HD1 PHE 87 2.771 10.726 -15.052 1397 HE1 PHE 87 HE2 PHE 87 1.830 5.940 -14.151 1398 HE2 PHE 87 HE1 PHE 87 0.864 10.090 -13.603 1399 HZ PHE 87 HZ PHE 87 0.394 7.696 -13.151 1400 H PHE 88 HN PHE 88 5.798 6.144 -16.189 1401 HA PHE 88 HA PHE 88 8.313 6.039 -17.701 1402 1HB PHE 88 HB2 PHE 88 6.196 3.915 -17.219 1403 2HB PHE 88 HB1 PHE 88 7.807 3.632 -17.878 1404 HD1 PHE 88 HD1 PHE 88 9.811 3.848 -16.457 1405 HD2 PHE 88 HD2 PHE 88 5.861 4.425 -14.872 1406 HE1 PHE 88 HE1 PHE 88 10.710 3.677 -14.151 1407 HE2 PHE 88 HE2 PHE 88 6.759 4.252 -12.568 1408 HZ PHE 88 HZ PHE 88 9.184 3.878 -12.206 1409 H GLU 89 HN GLU 89 5.276 7.071 -18.449 1410 HA GLU 89 HA GLU 89 4.694 5.756 -20.926 1411 1HB GLU 89 HB2 GLU 89 3.994 8.528 -19.915 1412 2HB GLU 89 HB1 GLU 89 3.330 7.826 -21.389 1413 1HG GLU 89 HG2 GLU 89 2.371 5.969 -20.098 1414 2HG GLU 89 HG1 GLU 89 3.069 6.624 -18.616 1415 H HIS 90 HN HIS 90 6.074 5.752 -22.641 1416 HA HIS 90 HA HIS 90 8.084 7.794 -23.056 1417 1HB HIS 90 HB2 HIS 90 7.091 5.763 -25.068 1418 2HB HIS 90 HB1 HIS 90 8.654 6.584 -25.059 1419 HD1 HIS 90 HD1 HIS 90 9.118 6.264 -21.931 1420 HD2 HIS 90 HD2 HIS 90 8.150 3.182 -24.568 1421 HE1 HIS 90 HE1 HIS 90 9.925 4.117 -20.851 1422 HE2 HIS 90 HE2 HIS 90 9.344 2.236 -22.451 1423 H GLU 91 HN GLU 91 8.146 9.379 -24.735 1424 HA GLU 91 HA GLU 91 5.492 10.439 -25.452 1425 1HB GLU 91 HB2 GLU 91 7.039 12.206 -26.638 1426 2HB GLU 91 HB1 GLU 91 6.944 12.191 -24.881 1427 1HG GLU 91 HG2 GLU 91 9.035 10.550 -26.312 1428 2HG GLU 91 HG1 GLU 91 9.299 12.265 -26.007 No H/Q in entry = 1428 Start of MODEL 7 1 1H MET 0 HT3 MET 0 14.783 -0.699 -6.608 2 2H MET 0 HT2 MET 0 16.323 0.003 -6.760 3 3H MET 0 HT1 MET 0 15.177 0.188 -8.000 4 HA MET 0 HA MET 0 15.578 -1.830 -8.884 5 1HB MET 0 HB2 MET 0 17.801 -0.657 -8.607 6 2HB MET 0 HB1 MET 0 18.044 -1.600 -7.135 7 1HG MET 0 HG2 MET 0 17.926 -3.683 -8.404 8 2HG MET 0 HG1 MET 0 17.559 -2.791 -9.882 9 1HE MET 0 HE3 MET 0 19.594 -4.908 -9.500 10 2HE MET 0 HE2 MET 0 19.946 -4.122 -11.037 11 3HE MET 0 HE1 MET 0 21.241 -4.385 -9.873 12 H SER 1 HN SER 1 15.427 -1.738 -5.456 13 HA SER 1 HA SER 1 15.848 -4.578 -4.998 14 1HB SER 1 HB2 SER 1 14.959 -4.099 -2.745 15 2HB SER 1 HB1 SER 1 16.180 -2.917 -3.207 16 HG SER 1 HG SER 1 13.452 -2.634 -2.826 17 H GLU 2 HN GLU 2 14.046 -5.913 -4.010 18 HA GLU 2 HA GLU 2 11.906 -6.238 -5.857 19 1HB GLU 2 HB2 GLU 2 12.283 -7.229 -3.020 20 2HB GLU 2 HB1 GLU 2 10.916 -7.704 -4.029 21 1HG GLU 2 HG2 GLU 2 12.413 -8.633 -5.708 22 2HG GLU 2 HG1 GLU 2 13.822 -8.063 -4.812 23 H LEU 3 HN LEU 3 12.062 -4.569 -2.731 24 HA LEU 3 HA LEU 3 9.289 -4.021 -2.483 25 1HB LEU 3 HB2 LEU 3 11.348 -3.576 -0.861 26 2HB LEU 3 HB1 LEU 3 11.354 -1.996 -1.632 27 HG LEU 3 HG LEU 3 10.018 -1.868 0.381 28 1HD1 LEU 3 HD11 LEU 3 9.226 -0.782 -1.844 29 2HD1 LEU 3 HD13 LEU 3 7.959 -2.013 -1.811 30 3HD1 LEU 3 HD12 LEU 3 8.099 -0.854 -0.493 31 1HD2 LEU 3 HD21 LEU 3 9.469 -4.453 0.193 32 2HD2 LEU 3 HD23 LEU 3 8.350 -3.364 1.006 33 3HD2 LEU 3 HD22 LEU 3 8.029 -3.878 -0.643 34 H GLU 4 HN GLU 4 11.881 -2.220 -4.131 35 HA GLU 4 HA GLU 4 10.302 0.007 -4.930 36 1HB GLU 4 HB2 GLU 4 12.693 -1.315 -6.250 37 2HB GLU 4 HB1 GLU 4 12.004 0.212 -6.797 38 1HG GLU 4 HG2 GLU 4 13.022 -0.293 -3.986 39 2HG GLU 4 HG1 GLU 4 13.949 0.516 -5.250 40 H LYS 5 HN LYS 5 10.909 -3.117 -6.523 41 HA LYS 5 HA LYS 5 9.406 -2.545 -8.888 42 1HB LYS 5 HB2 LYS 5 10.978 -4.474 -8.621 43 2HB LYS 5 HB1 LYS 5 9.804 -5.234 -7.547 44 1HG LYS 5 HG2 LYS 5 8.126 -5.224 -9.343 45 2HG LYS 5 HG1 LYS 5 9.275 -4.441 -10.425 46 1HD LYS 5 HD2 LYS 5 9.967 -7.066 -9.090 47 2HD LYS 5 HD1 LYS 5 9.000 -7.034 -10.563 48 1HE LYS 5 HE2 LYS 5 10.833 -5.649 -11.634 49 2HE LYS 5 HE1 LYS 5 11.808 -5.957 -10.197 50 1HZ LYS 5 HZ3 LYS 5 11.396 -8.370 -10.610 51 2HZ LYS 5 HZ2 LYS 5 10.739 -7.942 -12.115 52 3HZ LYS 5 HZ1 LYS 5 12.368 -7.605 -11.769 53 H ALA 6 HN ALA 6 8.478 -3.922 -5.752 54 HA ALA 6 HA ALA 6 5.813 -4.643 -6.413 55 1HB ALA 6 HB2 ALA 6 6.956 -3.665 -3.781 56 2HB ALA 6 HB1 ALA 6 5.377 -4.427 -3.964 57 3HB ALA 6 HB3 ALA 6 6.846 -5.341 -4.312 58 H MET 7 HN MET 7 7.061 -1.573 -5.046 59 HA MET 7 HA MET 7 4.533 -0.271 -4.930 60 1HB MET 7 HB2 MET 7 6.596 0.598 -3.852 61 2HB MET 7 HB1 MET 7 7.242 0.989 -5.444 62 1HG MET 7 HG2 MET 7 5.679 2.700 -5.805 63 2HG MET 7 HG1 MET 7 4.543 2.049 -4.624 64 1HE MET 7 HE1 MET 7 7.764 3.774 -5.383 65 2HE MET 7 HE3 MET 7 6.610 5.090 -5.107 66 3HE MET 7 HE2 MET 7 8.001 4.892 -4.043 67 H VAL 8 HN VAL 8 6.905 -0.516 -7.557 68 HA VAL 8 HA VAL 8 5.533 1.239 -9.364 69 HB VAL 8 HB VAL 8 7.490 -1.028 -9.845 70 1HG1 VAL 8 HG13 VAL 8 6.193 0.909 -11.778 71 2HG1 VAL 8 HG12 VAL 8 7.724 0.107 -12.131 72 3HG1 VAL 8 HG11 VAL 8 6.262 -0.849 -11.888 73 1HG2 VAL 8 HG22 VAL 8 7.703 2.001 -9.834 74 2HG2 VAL 8 HG21 VAL 8 8.458 0.883 -8.695 75 3HG2 VAL 8 HG23 VAL 8 8.989 0.923 -10.377 76 H ALA 9 HN ALA 9 5.313 -2.251 -8.762 77 HA ALA 9 HA ALA 9 3.646 -2.919 -10.965 78 1HB ALA 9 HB3 ALA 9 4.751 -4.568 -9.453 79 2HB ALA 9 HB2 ALA 9 3.596 -4.142 -8.190 80 3HB ALA 9 HB1 ALA 9 3.035 -4.900 -9.681 81 H LEU 10 HN LEU 10 2.751 -1.700 -7.717 82 HA LEU 10 HA LEU 10 -0.067 -1.994 -8.051 83 1HB LEU 10 HB2 LEU 10 1.695 -0.223 -6.372 84 2HB LEU 10 HB1 LEU 10 -0.020 0.160 -6.454 85 HG LEU 10 HG LEU 10 0.783 -1.349 -4.529 86 1HD1 LEU 10 HD13 LEU 10 -1.553 -1.913 -6.333 87 2HD1 LEU 10 HD12 LEU 10 -1.272 -2.920 -4.915 88 3HD1 LEU 10 HD11 LEU 10 -1.518 -1.185 -4.734 89 1HD2 LEU 10 HD21 LEU 10 2.154 -2.815 -6.126 90 2HD2 LEU 10 HD23 LEU 10 1.163 -3.649 -4.933 91 3HD2 LEU 10 HD22 LEU 10 0.623 -3.540 -6.600 92 H ILE 11 HN ILE 11 2.090 0.713 -8.932 93 HA ILE 11 HA ILE 11 -0.045 2.359 -9.968 94 HB ILE 11 HB ILE 11 2.942 2.400 -10.488 95 1HG1 ILE 11 HG12 ILE 11 1.254 4.129 -8.656 96 2HG1 ILE 11 HG11 ILE 11 2.119 2.695 -8.109 97 1HG2 ILE 11 HG22 ILE 11 0.738 4.374 -11.147 98 2HG2 ILE 11 HG21 ILE 11 2.440 4.824 -11.087 99 3HG2 ILE 11 HG23 ILE 11 1.884 3.632 -12.264 100 1HD1 ILE 11 HD11 ILE 11 3.603 4.838 -9.618 101 2HD1 ILE 11 HD13 ILE 11 3.280 5.031 -7.892 102 3HD1 ILE 11 HD12 ILE 11 4.216 3.652 -8.464 103 H ASP 12 HN ASP 12 2.378 0.246 -11.558 104 HA ASP 12 HA ASP 12 1.392 0.747 -14.211 105 1HB ASP 12 HB2 ASP 12 3.669 -0.152 -13.667 106 2HB ASP 12 HB1 ASP 12 2.916 -1.689 -13.237 107 H VAL 13 HN VAL 13 0.778 -1.962 -11.933 108 HA VAL 13 HA VAL 13 -0.861 -3.482 -13.701 109 HB VAL 13 HB VAL 13 -0.850 -3.258 -10.679 110 1HG1 VAL 13 HG13 VAL 13 -2.421 -5.067 -12.519 111 2HG1 VAL 13 HG12 VAL 13 -2.061 -5.519 -10.853 112 3HG1 VAL 13 HG11 VAL 13 -3.025 -4.081 -11.188 113 1HG2 VAL 13 HG22 VAL 13 1.188 -4.172 -11.744 114 2HG2 VAL 13 HG21 VAL 13 0.326 -5.424 -10.848 115 3HG2 VAL 13 HG23 VAL 13 0.202 -5.352 -12.604 116 H PHE 14 HN PHE 14 -1.713 -0.875 -11.432 117 HA PHE 14 HA PHE 14 -4.537 -1.061 -11.682 118 1HB PHE 14 HB2 PHE 14 -3.364 0.350 -10.012 119 2HB PHE 14 HB1 PHE 14 -2.841 1.427 -11.306 120 HD1 PHE 14 HD1 PHE 14 -4.501 2.794 -12.554 121 HD2 PHE 14 HD2 PHE 14 -5.629 0.349 -9.210 122 HE1 PHE 14 HE1 PHE 14 -6.641 4.036 -12.361 123 HE2 PHE 14 HE2 PHE 14 -7.775 1.590 -9.025 124 HZ PHE 14 HZ PHE 14 -8.278 3.436 -10.603 125 H HIS 15 HN HIS 15 -2.197 0.809 -13.612 126 HA HIS 15 HA HIS 15 -4.167 2.045 -15.281 127 1HB HIS 15 HB2 HIS 15 -1.853 2.888 -15.052 128 2HB HIS 15 HB1 HIS 15 -1.254 1.462 -15.903 129 HD1 HIS 15 HD1 HIS 15 -1.381 1.485 -18.442 130 HD2 HIS 15 HD2 HIS 15 -3.548 4.601 -16.714 131 HE1 HIS 15 HE1 HIS 15 -2.150 2.971 -20.344 132 HE2 HIS 15 HE2 HIS 15 -3.466 4.872 -19.306 133 H GLN 16 HN GLN 16 -2.300 -0.964 -15.670 134 HA GLN 16 HA GLN 16 -3.010 -1.508 -18.361 135 1HB GLN 16 HB2 GLN 16 -2.402 -3.353 -16.044 136 2HB GLN 16 HB1 GLN 16 -2.599 -3.926 -17.699 137 1HG GLN 16 HG2 GLN 16 -0.646 -1.741 -16.954 138 2HG GLN 16 HG1 GLN 16 -0.197 -3.447 -16.981 139 1HE2 GLN 16 HE22 GLN 16 -0.238 -3.673 -20.542 140 2HE2 GLN 16 HE21 GLN 16 -0.286 -4.563 -19.098 141 H TYR 17 HN TYR 17 -4.698 -2.606 -15.372 142 HA TYR 17 HA TYR 17 -6.770 -3.943 -16.876 143 1HB TYR 17 HB2 TYR 17 -6.515 -3.077 -13.997 144 2HB TYR 17 HB1 TYR 17 -8.023 -3.756 -14.604 145 HD1 TYR 17 HD1 TYR 17 -4.475 -4.457 -13.861 146 HD2 TYR 17 HD2 TYR 17 -8.179 -6.079 -15.318 147 HE1 TYR 17 HE1 TYR 17 -3.563 -6.747 -13.629 148 HE2 TYR 17 HE2 TYR 17 -7.257 -8.372 -15.080 149 HH TYR 17 HH TYR 17 -5.561 -9.557 -13.922 150 H SER 18 HN SER 18 -6.562 -0.680 -15.446 151 HA SER 18 HA SER 18 -9.270 0.053 -15.912 152 1HB SER 18 HB2 SER 18 -7.728 1.397 -14.531 153 2HB SER 18 HB1 SER 18 -6.809 1.829 -15.971 154 HG SER 18 HG SER 18 -9.547 2.390 -15.451 155 H GLY 19 HN GLY 19 -6.434 0.370 -18.059 156 1HA GLY 19 HA2 GLY 19 -8.042 1.615 -20.159 157 2HA GLY 19 HA1 GLY 19 -6.344 1.165 -20.282 158 H ARG 20 HN ARG 20 -7.789 -1.585 -19.165 159 HA ARG 20 HA ARG 20 -7.427 -2.939 -21.624 160 1HB ARG 20 HB2 ARG 20 -8.150 -4.883 -20.544 161 2HB ARG 20 HB1 ARG 20 -7.539 -3.895 -19.234 162 1HG ARG 20 HG2 ARG 20 -9.558 -4.540 -18.301 163 2HG ARG 20 HG1 ARG 20 -10.063 -3.057 -19.094 164 1HD ARG 20 HD2 ARG 20 -11.260 -4.195 -20.739 165 2HD ARG 20 HD1 ARG 20 -10.225 -5.612 -20.680 166 HE ARG 20 HE ARG 20 -11.496 -5.625 -18.220 167 1HH1 ARG 20 HH21 ARG 20 -12.441 -5.370 -21.524 168 2HH1 ARG 20 HH22 ARG 20 -13.938 -6.212 -21.302 169 1HH2 ARG 20 HH11 ARG 20 -13.457 -6.738 -17.912 170 2HH2 ARG 20 HH12 ARG 20 -14.508 -6.989 -19.265 171 H GLU 21 HN GLU 21 -10.460 -1.630 -20.230 172 HA GLU 21 HA GLU 21 -12.031 -2.678 -22.462 173 1HB GLU 21 HB2 GLU 21 -13.081 -2.325 -20.266 174 2HB GLU 21 HB1 GLU 21 -12.755 -0.595 -20.370 175 1HG GLU 21 HG2 GLU 21 -14.183 -0.416 -22.357 176 2HG GLU 21 HG1 GLU 21 -14.453 -2.159 -22.346 177 H GLY 22 HN GLY 22 -10.646 0.464 -21.563 178 1HA GLY 22 HA2 GLY 22 -9.924 1.484 -23.951 179 2HA GLY 22 HA1 GLY 22 -11.673 1.697 -24.042 180 H ASP 23 HN ASP 23 -11.838 2.116 -21.082 181 HA ASP 23 HA ASP 23 -11.060 4.997 -21.106 182 1HB ASP 23 HB2 ASP 23 -12.847 3.376 -19.269 183 2HB ASP 23 HB1 ASP 23 -12.503 5.092 -19.056 184 H LYS 24 HN LYS 24 -9.019 5.320 -20.307 185 HA LYS 24 HA LYS 24 -8.027 3.561 -18.113 186 1HB LYS 24 HB2 LYS 24 -5.805 4.630 -18.640 187 2HB LYS 24 HB1 LYS 24 -6.499 3.693 -19.959 188 1HG LYS 24 HG2 LYS 24 -7.489 5.984 -20.752 189 2HG LYS 24 HG1 LYS 24 -6.282 6.693 -19.689 190 1HD LYS 24 HD2 LYS 24 -4.554 5.261 -20.885 191 2HD LYS 24 HD1 LYS 24 -5.811 4.877 -22.061 192 1HE LYS 24 HE2 LYS 24 -4.708 7.623 -21.402 193 2HE LYS 24 HE1 LYS 24 -4.548 6.749 -22.922 194 1HZ LYS 24 HZ2 LYS 24 -7.179 6.763 -22.678 195 2HZ LYS 24 HZ1 LYS 24 -6.823 8.210 -21.859 196 3HZ LYS 24 HZ3 LYS 24 -6.316 7.998 -23.464 197 H HIS 25 HN HIS 25 -8.904 4.425 -16.235 198 HA HIS 25 HA HIS 25 -7.665 6.738 -15.098 199 1HB HIS 25 HB2 HIS 25 -9.122 7.989 -16.650 200 2HB HIS 25 HB1 HIS 25 -10.532 7.146 -16.018 201 HD1 HIS 25 HD1 HIS 25 -11.394 9.578 -15.278 202 HD2 HIS 25 HD2 HIS 25 -8.000 8.193 -13.293 203 HE1 HIS 25 HE1 HIS 25 -11.120 11.029 -13.213 204 HE2 HIS 25 HE2 HIS 25 -9.041 10.209 -12.017 205 H LYS 26 HN LYS 26 -10.736 4.915 -15.088 206 HA LYS 26 HA LYS 26 -10.323 4.299 -12.209 207 1HB LYS 26 HB2 LYS 26 -12.751 4.914 -11.798 208 2HB LYS 26 HB1 LYS 26 -11.678 6.284 -12.086 209 1HG LYS 26 HG2 LYS 26 -12.374 6.256 -14.497 210 2HG LYS 26 HG1 LYS 26 -13.536 4.987 -14.108 211 1HD LYS 26 HD2 LYS 26 -14.686 6.459 -12.546 212 2HD LYS 26 HD1 LYS 26 -13.472 7.714 -12.787 213 1HE LYS 26 HE2 LYS 26 -14.109 7.932 -15.135 214 2HE LYS 26 HE1 LYS 26 -15.271 6.619 -14.972 215 1HZ LYS 26 HZ2 LYS 26 -15.986 8.253 -12.965 216 2HZ LYS 26 HZ1 LYS 26 -15.471 9.374 -14.131 217 3HZ LYS 26 HZ3 LYS 26 -16.697 8.263 -14.507 218 H LEU 27 HN LEU 27 -11.799 2.561 -11.470 219 HA LEU 27 HA LEU 27 -12.459 0.685 -13.707 220 1HB LEU 27 HB2 LEU 27 -11.967 0.151 -10.756 221 2HB LEU 27 HB1 LEU 27 -12.353 -1.073 -11.962 222 HG LEU 27 HG LEU 27 -10.255 0.004 -13.232 223 1HD1 LEU 27 HD13 LEU 27 -10.128 1.631 -11.086 224 2HD1 LEU 27 HD12 LEU 27 -9.165 0.299 -10.460 225 3HD1 LEU 27 HD11 LEU 27 -8.696 1.100 -11.957 226 1HD2 LEU 27 HD23 LEU 27 -10.052 -1.912 -10.882 227 2HD2 LEU 27 HD22 LEU 27 -10.400 -2.342 -12.554 228 3HD2 LEU 27 HD21 LEU 27 -8.817 -1.706 -12.123 229 H LYS 28 HN LYS 28 -14.548 -0.173 -13.849 230 HA LYS 28 HA LYS 28 -16.624 1.228 -12.264 231 1HB LYS 28 HB2 LYS 28 -18.129 -0.190 -13.910 232 2HB LYS 28 HB1 LYS 28 -17.253 1.214 -14.521 233 1HG LYS 28 HG2 LYS 28 -15.482 -0.167 -15.393 234 2HG LYS 28 HG1 LYS 28 -16.132 -1.593 -14.588 235 1HD LYS 28 HD2 LYS 28 -16.755 -1.681 -16.931 236 2HD LYS 28 HD1 LYS 28 -18.203 -1.384 -15.971 237 1HE LYS 28 HE2 LYS 28 -16.735 1.040 -16.946 238 2HE LYS 28 HE1 LYS 28 -17.601 0.092 -18.156 239 1HZ LYS 28 HZ2 LYS 28 -19.556 0.187 -16.642 240 2HZ LYS 28 HZ1 LYS 28 -18.707 1.306 -15.690 241 3HZ LYS 28 HZ3 LYS 28 -19.101 1.686 -17.298 242 H LYS 29 HN LYS 29 -18.593 -0.371 -11.754 243 HA LYS 29 HA LYS 29 -17.730 -2.092 -9.665 244 1HB LYS 29 HB2 LYS 29 -20.331 -1.992 -11.211 245 2HB LYS 29 HB1 LYS 29 -20.086 -2.998 -9.787 246 1HG LYS 29 HG2 LYS 29 -19.628 -1.072 -8.405 247 2HG LYS 29 HG1 LYS 29 -19.626 -0.001 -9.804 248 1HD LYS 29 HD2 LYS 29 -22.112 -1.625 -9.356 249 2HD LYS 29 HD1 LYS 29 -21.806 -0.312 -8.221 250 1HE LYS 29 HE2 LYS 29 -23.185 0.298 -10.279 251 2HE LYS 29 HE1 LYS 29 -21.783 1.321 -9.961 252 1HZ LYS 29 HZ3 LYS 29 -20.541 -0.195 -11.502 253 2HZ LYS 29 HZ2 LYS 29 -22.041 -0.856 -11.946 254 3HZ LYS 29 HZ1 LYS 29 -21.713 0.786 -12.237 255 H SER 30 HN SER 30 -18.818 -2.915 -12.983 256 HA SER 30 HA SER 30 -18.562 -5.750 -12.656 257 1HB SER 30 HB2 SER 30 -19.779 -4.682 -14.547 258 2HB SER 30 HB1 SER 30 -18.240 -4.120 -15.193 259 HG SER 30 HG SER 30 -18.713 -6.838 -14.598 260 H GLU 31 HN GLU 31 -16.291 -3.323 -13.902 261 HA GLU 31 HA GLU 31 -14.184 -5.208 -14.479 262 1HB GLU 31 HB2 GLU 31 -14.406 -2.886 -15.437 263 2HB GLU 31 HB1 GLU 31 -13.922 -2.255 -13.862 264 1HG GLU 31 HG2 GLU 31 -11.798 -3.501 -14.011 265 2HG GLU 31 HG1 GLU 31 -12.282 -4.139 -15.583 266 H LEU 32 HN LEU 32 -15.129 -3.397 -11.620 267 HA LEU 32 HA LEU 32 -12.715 -3.588 -10.159 268 1HB LEU 32 HB2 LEU 32 -14.604 -2.196 -9.451 269 2HB LEU 32 HB1 LEU 32 -15.576 -3.632 -9.158 270 HG LEU 32 HG LEU 32 -14.015 -4.349 -7.387 271 1HD1 LEU 32 HD13 LEU 32 -12.380 -2.100 -8.474 272 2HD1 LEU 32 HD12 LEU 32 -12.434 -2.212 -6.717 273 3HD1 LEU 32 HD11 LEU 32 -11.876 -3.584 -7.667 274 1HD2 LEU 32 HD22 LEU 32 -15.959 -2.828 -6.942 275 2HD2 LEU 32 HD21 LEU 32 -14.648 -2.653 -5.774 276 3HD2 LEU 32 HD23 LEU 32 -14.853 -1.456 -7.052 277 H LYS 33 HN LYS 33 -15.506 -5.830 -10.127 278 HA LYS 33 HA LYS 33 -14.312 -7.668 -8.312 279 1HB LYS 33 HB2 LYS 33 -15.917 -9.335 -9.370 280 2HB LYS 33 HB1 LYS 33 -16.654 -7.870 -8.723 281 1HG LYS 33 HG2 LYS 33 -16.697 -6.865 -10.942 282 2HG LYS 33 HG1 LYS 33 -15.899 -8.274 -11.629 283 1HD LYS 33 HD2 LYS 33 -18.508 -8.547 -10.130 284 2HD LYS 33 HD1 LYS 33 -18.490 -8.070 -11.825 285 1HE LYS 33 HE2 LYS 33 -18.728 -10.424 -11.891 286 2HE LYS 33 HE1 LYS 33 -17.019 -10.168 -12.215 287 1HZ LYS 33 HZ1 LYS 33 -17.516 -10.323 -9.423 288 2HZ LYS 33 HZ3 LYS 33 -18.116 -11.701 -10.208 289 3HZ LYS 33 HZ2 LYS 33 -16.480 -11.269 -10.383 290 H GLU 34 HN GLU 34 -14.088 -7.376 -11.847 291 HA GLU 34 HA GLU 34 -12.781 -9.850 -12.359 292 1HB GLU 34 HB2 GLU 34 -13.664 -8.273 -14.111 293 2HB GLU 34 HB1 GLU 34 -12.286 -7.222 -13.782 294 1HG GLU 34 HG2 GLU 34 -10.728 -8.984 -14.414 295 2HG GLU 34 HG1 GLU 34 -12.061 -10.119 -14.636 296 H LEU 35 HN LEU 35 -11.425 -6.651 -11.557 297 HA LEU 35 HA LEU 35 -8.678 -7.357 -11.730 298 1HB LEU 35 HB2 LEU 35 -9.527 -5.034 -11.525 299 2HB LEU 35 HB1 LEU 35 -10.038 -5.376 -9.878 300 HG LEU 35 HG LEU 35 -7.554 -5.971 -9.425 301 1HD1 LEU 35 HD12 LEU 35 -7.326 -4.494 -12.066 302 2HD1 LEU 35 HD11 LEU 35 -5.982 -4.724 -10.948 303 3HD1 LEU 35 HD13 LEU 35 -6.745 -6.116 -11.705 304 1HD2 LEU 35 HD22 LEU 35 -8.753 -3.873 -8.675 305 2HD2 LEU 35 HD21 LEU 35 -7.022 -3.663 -8.932 306 3HD2 LEU 35 HD23 LEU 35 -8.169 -3.090 -10.142 307 H ILE 36 HN ILE 36 -10.981 -7.583 -9.065 308 HA ILE 36 HA ILE 36 -9.094 -8.503 -7.093 309 HB ILE 36 HB ILE 36 -12.107 -8.712 -7.271 310 1HG1 ILE 36 HG12 ILE 36 -10.365 -6.925 -5.546 311 2HG1 ILE 36 HG11 ILE 36 -10.994 -6.422 -7.115 312 1HG2 ILE 36 HG23 ILE 36 -10.150 -9.526 -5.118 313 2HG2 ILE 36 HG22 ILE 36 -11.802 -9.055 -4.719 314 3HG2 ILE 36 HG21 ILE 36 -11.511 -10.434 -5.776 315 1HD1 ILE 36 HD12 ILE 36 -12.800 -7.485 -4.948 316 2HD1 ILE 36 HD11 ILE 36 -12.387 -5.779 -5.042 317 3HD1 ILE 36 HD13 ILE 36 -13.248 -6.555 -6.373 318 H ASN 37 HN ASN 37 -11.215 -10.168 -9.400 319 HA ASN 37 HA ASN 37 -11.006 -12.796 -8.360 320 1HB ASN 37 HB2 ASN 37 -12.573 -12.103 -10.168 321 2HB ASN 37 HB1 ASN 37 -11.203 -11.991 -11.275 322 1HD2 ASN 37 HD22 ASN 37 -11.593 -15.404 -12.067 323 2HD2 ASN 37 HD21 ASN 37 -11.360 -13.817 -12.623 324 H ASN 38 HN ASN 38 -8.885 -11.195 -10.789 325 HA ASN 38 HA ASN 38 -7.164 -13.565 -10.897 326 1HB ASN 38 HB2 ASN 38 -5.643 -11.661 -12.096 327 2HB ASN 38 HB1 ASN 38 -6.944 -12.502 -12.932 328 1HD2 ASN 38 HD22 ASN 38 -7.341 -8.539 -12.073 329 2HD2 ASN 38 HD21 ASN 38 -5.994 -9.406 -11.511 330 H GLU 39 HN GLU 39 -7.384 -10.722 -8.923 331 HA GLU 39 HA GLU 39 -4.565 -10.915 -8.053 332 1HB GLU 39 HB2 GLU 39 -6.878 -9.096 -7.435 333 2HB GLU 39 HB1 GLU 39 -5.537 -9.172 -6.298 334 1HG GLU 39 HG2 GLU 39 -5.260 -7.363 -7.986 335 2HG GLU 39 HG1 GLU 39 -3.958 -8.548 -8.051 336 H LEU 40 HN LEU 40 -7.514 -10.756 -6.025 337 HA LEU 40 HA LEU 40 -6.263 -12.719 -4.184 338 1HB LEU 40 HB2 LEU 40 -8.814 -11.082 -3.970 339 2HB LEU 40 HB1 LEU 40 -8.217 -12.175 -2.724 340 HG LEU 40 HG LEU 40 -5.978 -10.727 -3.016 341 1HD1 LEU 40 HD12 LEU 40 -7.436 -9.366 -4.840 342 2HD1 LEU 40 HD11 LEU 40 -7.902 -8.465 -3.403 343 3HD1 LEU 40 HD13 LEU 40 -6.203 -8.593 -3.852 344 1HD2 LEU 40 HD23 LEU 40 -8.434 -9.830 -1.471 345 2HD2 LEU 40 HD22 LEU 40 -7.199 -10.959 -0.912 346 3HD2 LEU 40 HD21 LEU 40 -6.791 -9.262 -1.163 347 H SER 41 HN SER 41 -6.535 -14.773 -4.951 348 HA SER 41 HA SER 41 -9.212 -15.579 -6.009 349 1HB SER 41 HB2 SER 41 -8.060 -17.496 -6.945 350 2HB SER 41 HB1 SER 41 -7.175 -16.036 -7.367 351 HG SER 41 HG SER 41 -6.498 -18.125 -5.680 352 H HIS 42 HN HIS 42 -6.764 -16.575 -3.574 353 HA HIS 42 HA HIS 42 -8.939 -18.125 -2.186 354 1HB HIS 42 HB2 HIS 42 -7.151 -19.547 -3.258 355 2HB HIS 42 HB1 HIS 42 -5.986 -18.803 -2.164 356 HD1 HIS 42 HD1 HIS 42 -9.256 -20.760 -2.004 357 HD2 HIS 42 HD2 HIS 42 -5.887 -20.015 0.334 358 HE1 HIS 42 HE1 HIS 42 -9.473 -22.233 0.046 359 HE2 HIS 42 HE2 HIS 42 -7.418 -21.792 1.474 360 H PHE 43 HN PHE 43 -6.636 -15.592 -1.914 361 HA PHE 43 HA PHE 43 -6.071 -15.809 0.902 362 1HB PHE 43 HB2 PHE 43 -4.862 -14.310 -0.789 363 2HB PHE 43 HB1 PHE 43 -6.243 -13.219 -0.660 364 HD1 PHE 43 HD2 PHE 43 -3.374 -14.689 1.128 365 HD2 PHE 43 HD1 PHE 43 -6.700 -11.977 1.392 366 HE1 PHE 43 HE2 PHE 43 -2.433 -13.731 3.211 367 HE2 PHE 43 HE1 PHE 43 -5.753 -11.021 3.477 368 HZ PHE 43 HZ PHE 43 -3.612 -11.899 4.384 369 H LEU 44 HN LEU 44 -8.586 -14.095 -0.946 370 HA LEU 44 HA LEU 44 -9.966 -13.404 1.610 371 1HB LEU 44 HB2 LEU 44 -9.485 -11.663 -0.250 372 2HB LEU 44 HB1 LEU 44 -10.755 -12.477 -1.156 373 HG LEU 44 HG LEU 44 -12.196 -12.187 1.000 374 1HD1 LEU 44 HD13 LEU 44 -9.919 -10.242 1.486 375 2HD1 LEU 44 HD12 LEU 44 -11.515 -10.004 2.188 376 3HD1 LEU 44 HD11 LEU 44 -10.584 -11.438 2.595 377 1HD2 LEU 44 HD22 LEU 44 -11.396 -9.871 -0.789 378 2HD2 LEU 44 HD21 LEU 44 -12.731 -10.998 -1.037 379 3HD2 LEU 44 HD23 LEU 44 -12.789 -9.838 0.291 380 H GLU 45 HN GLU 45 -11.849 -14.429 2.137 381 HA GLU 45 HA GLU 45 -12.897 -16.478 0.240 382 1HB GLU 45 HB2 GLU 45 -12.250 -17.197 2.526 383 2HB GLU 45 HB1 GLU 45 -13.411 -16.061 3.207 384 1HG GLU 45 HG2 GLU 45 -15.258 -17.258 2.137 385 2HG GLU 45 HG1 GLU 45 -14.121 -18.349 1.345 386 H GLU 46 HN GLU 46 -13.603 -13.339 1.341 387 HA GLU 46 HA GLU 46 -16.507 -13.602 1.297 388 1HB GLU 46 HB2 GLU 46 -14.855 -11.802 2.442 389 2HB GLU 46 HB1 GLU 46 -15.223 -10.918 0.968 390 1HG GLU 46 HG2 GLU 46 -16.937 -10.220 2.423 391 2HG GLU 46 HG1 GLU 46 -17.713 -11.509 1.506 392 H ILE 47 HN ILE 47 -17.318 -11.371 -0.201 393 HA ILE 47 HA ILE 47 -18.035 -10.857 -2.367 394 HB ILE 47 HB ILE 47 -15.204 -11.725 -3.051 395 1HG1 ILE 47 HG12 ILE 47 -16.330 -8.939 -2.654 396 2HG1 ILE 47 HG11 ILE 47 -15.519 -9.830 -1.367 397 1HG2 ILE 47 HG23 ILE 47 -17.406 -10.410 -4.637 398 2HG2 ILE 47 HG22 ILE 47 -15.725 -10.010 -4.988 399 3HG2 ILE 47 HG21 ILE 47 -16.282 -11.673 -5.134 400 1HD1 ILE 47 HD11 ILE 47 -13.573 -10.106 -3.066 401 2HD1 ILE 47 HD13 ILE 47 -14.374 -8.817 -3.963 402 3HD1 ILE 47 HD12 ILE 47 -13.800 -8.525 -2.322 403 H LYS 48 HN LYS 48 -19.427 -12.834 -1.999 404 HA LYS 48 HA LYS 48 -18.669 -15.099 -3.815 405 1HB LYS 48 HB2 LYS 48 -20.714 -16.171 -2.502 406 2HB LYS 48 HB1 LYS 48 -19.114 -16.105 -1.762 407 1HG LYS 48 HG2 LYS 48 -19.690 -14.158 -0.486 408 2HG LYS 48 HG1 LYS 48 -21.204 -13.948 -1.366 409 1HD LYS 48 HD2 LYS 48 -22.030 -16.094 -0.464 410 2HD LYS 48 HD1 LYS 48 -20.513 -16.309 0.414 411 1HE LYS 48 HE2 LYS 48 -22.231 -13.848 0.782 412 2HE LYS 48 HE1 LYS 48 -22.471 -15.309 1.741 413 1HZ LYS 48 HZ3 LYS 48 -19.740 -14.727 1.676 414 2HZ LYS 48 HZ2 LYS 48 -20.562 -13.303 2.107 415 3HZ LYS 48 HZ1 LYS 48 -20.782 -14.726 3.013 416 H GLU 49 HN GLU 49 -21.365 -12.902 -2.963 417 HA GLU 49 HA GLU 49 -22.625 -13.546 -5.618 418 1HB GLU 49 HB2 GLU 49 -23.815 -12.820 -2.947 419 2HB GLU 49 HB1 GLU 49 -24.686 -12.389 -4.417 420 1HG GLU 49 HG2 GLU 49 -25.484 -14.550 -3.708 421 2HG GLU 49 HG1 GLU 49 -24.481 -14.808 -5.134 422 H GLN 50 HN GLN 50 -23.456 -11.764 -6.825 423 HA GLN 50 HA GLN 50 -21.759 -9.495 -6.955 424 1HB GLN 50 HB2 GLN 50 -23.330 -10.508 -8.737 425 2HB GLN 50 HB1 GLN 50 -24.599 -9.540 -7.985 426 1HG GLN 50 HG2 GLN 50 -21.982 -8.430 -9.061 427 2HG GLN 50 HG1 GLN 50 -23.523 -8.389 -9.913 428 1HE2 GLN 50 HE22 GLN 50 -22.727 -5.470 -7.317 429 2HE2 GLN 50 HE21 GLN 50 -21.558 -6.522 -7.955 430 H GLU 51 HN GLU 51 -24.969 -9.874 -5.427 431 HA GLU 51 HA GLU 51 -25.355 -7.127 -4.784 432 1HB GLU 51 HB2 GLU 51 -26.782 -8.074 -2.853 433 2HB GLU 51 HB1 GLU 51 -27.249 -8.519 -4.494 434 1HG GLU 51 HG2 GLU 51 -26.289 -10.690 -4.294 435 2HG GLU 51 HG1 GLU 51 -25.403 -10.247 -2.837 436 H VAL 52 HN VAL 52 -23.619 -9.694 -3.065 437 HA VAL 52 HA VAL 52 -23.078 -8.256 -0.665 438 HB VAL 52 HB VAL 52 -21.500 -10.385 -2.140 439 1HG1 VAL 52 HG12 VAL 52 -20.975 -8.992 0.480 440 2HG1 VAL 52 HG11 VAL 52 -20.515 -10.683 0.279 441 3HG1 VAL 52 HG13 VAL 52 -19.837 -9.453 -0.786 442 1HG2 VAL 52 HG23 VAL 52 -23.765 -10.992 -1.280 443 2HG2 VAL 52 HG22 VAL 52 -22.471 -11.891 -0.486 444 3HG2 VAL 52 HG21 VAL 52 -23.241 -10.535 0.340 445 H VAL 53 HN VAL 53 -21.384 -8.352 -3.797 446 HA VAL 53 HA VAL 53 -19.135 -6.755 -3.058 447 HB VAL 53 HB VAL 53 -20.553 -7.124 -5.713 448 1HG1 VAL 53 HG11 VAL 53 -18.075 -5.549 -5.000 449 2HG1 VAL 53 HG13 VAL 53 -18.310 -6.209 -6.621 450 3HG1 VAL 53 HG12 VAL 53 -19.452 -5.033 -5.971 451 1HG2 VAL 53 HG23 VAL 53 -19.372 -9.077 -4.657 452 2HG2 VAL 53 HG22 VAL 53 -18.683 -8.589 -6.207 453 3HG2 VAL 53 HG21 VAL 53 -17.882 -8.133 -4.703 454 H ASP 54 HN ASP 54 -22.361 -5.870 -4.252 455 HA ASP 54 HA ASP 54 -21.872 -3.088 -4.582 456 1HB ASP 54 HB2 ASP 54 -24.387 -4.603 -3.836 457 2HB ASP 54 HB1 ASP 54 -24.375 -2.871 -4.161 458 H LYS 55 HN LYS 55 -22.885 -4.921 -1.698 459 HA LYS 55 HA LYS 55 -23.317 -2.679 0.001 460 1HB LYS 55 HB2 LYS 55 -23.970 -5.003 0.538 461 2HB LYS 55 HB1 LYS 55 -22.272 -5.419 0.764 462 1HG LYS 55 HG2 LYS 55 -22.118 -3.683 2.553 463 2HG LYS 55 HG1 LYS 55 -23.842 -3.363 2.356 464 1HD LYS 55 HD2 LYS 55 -22.657 -6.056 3.096 465 2HD LYS 55 HD1 LYS 55 -23.365 -4.921 4.244 466 1HE LYS 55 HE2 LYS 55 -25.463 -5.031 2.703 467 2HE LYS 55 HE1 LYS 55 -24.727 -6.506 2.074 468 1HZ LYS 55 HZ1 LYS 55 -25.185 -6.006 4.955 469 2HZ LYS 55 HZ3 LYS 55 -26.274 -6.842 3.961 470 3HZ LYS 55 HZ2 LYS 55 -24.714 -7.462 4.217 471 H VAL 56 HN VAL 56 -20.369 -4.503 -0.710 472 HA VAL 56 HA VAL 56 -18.673 -3.259 1.198 473 HB VAL 56 HB VAL 56 -18.097 -4.454 -1.528 474 1HG1 VAL 56 HG11 VAL 56 -16.242 -3.399 0.602 475 2HG1 VAL 56 HG13 VAL 56 -15.725 -4.649 -0.529 476 3HG1 VAL 56 HG12 VAL 56 -16.218 -3.065 -1.128 477 1HG2 VAL 56 HG23 VAL 56 -19.014 -5.982 0.212 478 2HG2 VAL 56 HG22 VAL 56 -17.349 -6.385 -0.206 479 3HG2 VAL 56 HG21 VAL 56 -17.697 -5.516 1.288 480 H MET 57 HN MET 57 -19.510 -2.297 -2.121 481 HA MET 57 HA MET 57 -17.662 -0.166 -2.405 482 1HB MET 57 HB2 MET 57 -18.987 -1.051 -4.270 483 2HB MET 57 HB1 MET 57 -20.454 -0.394 -3.541 484 1HG MET 57 HG2 MET 57 -19.702 1.857 -3.815 485 2HG MET 57 HG1 MET 57 -18.070 1.329 -4.217 486 1HE MET 57 HE3 MET 57 -17.631 -0.372 -6.235 487 2HE MET 57 HE2 MET 57 -17.971 0.451 -7.754 488 3HE MET 57 HE1 MET 57 -17.224 1.338 -6.428 489 H GLU 58 HN GLU 58 -21.077 0.065 -1.298 490 HA GLU 58 HA GLU 58 -20.984 2.866 -0.813 491 1HB GLU 58 HB2 GLU 58 -22.706 0.626 0.244 492 2HB GLU 58 HB1 GLU 58 -22.857 2.241 0.935 493 1HG GLU 58 HG2 GLU 58 -24.459 1.889 -0.916 494 2HG GLU 58 HG1 GLU 58 -23.311 3.177 -1.284 495 H THR 59 HN THR 59 -20.182 0.119 1.273 496 HA THR 59 HA THR 59 -19.716 1.664 3.629 497 HB THR 59 HB THR 59 -18.424 -0.939 2.757 498 HG1 THR 59 HG1 THR 59 -20.588 -1.255 2.884 499 1HG2 THR 59 HG21 THR 59 -18.539 0.540 5.385 500 2HG2 THR 59 HG23 THR 59 -18.267 -1.202 5.307 501 3HG2 THR 59 HG22 THR 59 -17.125 -0.098 4.544 502 H LEU 60 HN LEU 60 -17.489 0.485 1.108 503 HA LEU 60 HA LEU 60 -15.201 1.849 2.196 504 1HB LEU 60 HB2 LEU 60 -15.126 -0.107 0.608 505 2HB LEU 60 HB1 LEU 60 -15.657 0.983 -0.670 506 HG LEU 60 HG LEU 60 -13.616 2.460 0.064 507 1HD1 LEU 60 HD12 LEU 60 -12.951 -0.222 1.304 508 2HD1 LEU 60 HD11 LEU 60 -11.712 0.945 0.853 509 3HD1 LEU 60 HD13 LEU 60 -12.918 1.367 2.067 510 1HD2 LEU 60 HD22 LEU 60 -13.807 1.271 -2.094 511 2HD2 LEU 60 HD21 LEU 60 -12.154 1.243 -1.481 512 3HD2 LEU 60 HD23 LEU 60 -13.170 -0.192 -1.340 513 H ASP 61 HN ASP 61 -17.340 2.632 -0.584 514 HA ASP 61 HA ASP 61 -16.082 5.265 -0.868 515 1HB ASP 61 HB2 ASP 61 -18.438 3.938 -2.229 516 2HB ASP 61 HB1 ASP 61 -17.933 5.591 -2.588 517 H GLU 62 HN GLU 62 -16.527 6.690 0.777 518 HA GLU 62 HA GLU 62 -19.025 6.724 2.238 519 1HB GLU 62 HB2 GLU 62 -16.855 7.570 3.162 520 2HB GLU 62 HB1 GLU 62 -16.924 8.907 2.015 521 1HG GLU 62 HG2 GLU 62 -17.792 9.702 4.135 522 2HG GLU 62 HG1 GLU 62 -19.154 9.550 3.025 523 H ASP 63 HN ASP 63 -17.756 8.476 -0.547 524 HA ASP 63 HA ASP 63 -20.042 10.304 -0.681 525 1HB ASP 63 HB2 ASP 63 -18.965 11.058 -2.791 526 2HB ASP 63 HB1 ASP 63 -17.836 11.059 -1.434 527 H GLY 64 HN GLY 64 -19.581 7.087 -1.575 528 1HA GLY 64 HA2 GLY 64 -20.723 5.670 -3.060 529 2HA GLY 64 HA1 GLY 64 -22.086 6.760 -2.804 530 H ASP 65 HN ASP 65 -18.923 7.264 -4.418 531 HA ASP 65 HA ASP 65 -20.170 8.793 -6.529 532 1HB ASP 65 HB2 ASP 65 -17.403 7.609 -6.233 533 2HB ASP 65 HB1 ASP 65 -17.885 8.586 -7.620 534 H GLY 66 HN GLY 66 -19.688 5.412 -6.034 535 1HA GLY 66 HA2 GLY 66 -20.736 3.710 -7.343 536 2HA GLY 66 HA1 GLY 66 -20.977 4.878 -8.638 537 H GLU 67 HN GLU 67 -17.917 5.479 -8.003 538 HA GLU 67 HA GLU 67 -16.788 3.153 -9.516 539 1HB GLU 67 HB2 GLU 67 -16.472 6.102 -10.151 540 2HB GLU 67 HB1 GLU 67 -15.461 4.835 -10.852 541 1HG GLU 67 HG2 GLU 67 -17.474 3.740 -11.777 542 2HG GLU 67 HG1 GLU 67 -18.485 5.002 -11.072 543 H CYS 68 HN CYS 68 -14.571 2.744 -9.044 544 HA CYS 68 HA CYS 68 -13.590 4.084 -6.554 545 1HB CYS 68 HB2 CYS 68 -12.110 2.038 -6.415 546 2HB CYS 68 HB1 CYS 68 -13.834 1.694 -6.289 547 HG CYS 68 HG CYS 68 -12.981 1.493 -9.173 548 H ASP 69 HN ASP 69 -11.998 5.572 -6.873 549 HA ASP 69 HA ASP 69 -10.351 5.457 -9.334 550 1HB ASP 69 HB2 ASP 69 -9.379 7.608 -8.424 551 2HB ASP 69 HB1 ASP 69 -11.107 7.674 -8.768 552 H PHE 70 HN PHE 70 -7.896 6.200 -8.705 553 HA PHE 70 HA PHE 70 -6.676 3.902 -7.583 554 1HB PHE 70 HB2 PHE 70 -5.493 5.437 -9.095 555 2HB PHE 70 HB1 PHE 70 -5.558 6.708 -7.873 556 HD1 PHE 70 HD2 PHE 70 -4.049 3.461 -8.789 557 HD2 PHE 70 HD1 PHE 70 -4.137 6.636 -5.898 558 HE1 PHE 70 HE2 PHE 70 -1.958 2.593 -7.769 559 HE2 PHE 70 HE1 PHE 70 -2.050 5.769 -4.875 560 HZ PHE 70 HZ PHE 70 -0.959 3.751 -5.814 561 H GLN 71 HN GLN 71 -7.174 7.115 -6.059 562 HA GLN 71 HA GLN 71 -5.875 6.440 -3.619 563 1HB GLN 71 HB2 GLN 71 -7.555 8.241 -2.660 564 2HB GLN 71 HB1 GLN 71 -6.292 8.726 -3.791 565 1HG GLN 71 HG2 GLN 71 -7.871 8.635 -5.652 566 2HG GLN 71 HG1 GLN 71 -9.134 8.025 -4.585 567 1HE2 GLN 71 HE22 GLN 71 -8.071 11.750 -3.345 568 2HE2 GLN 71 HE21 GLN 71 -6.972 10.457 -3.284 569 H GLU 72 HN GLU 72 -9.371 6.239 -4.412 570 HA GLU 72 HA GLU 72 -10.139 5.082 -1.912 571 1HB GLU 72 HB2 GLU 72 -11.374 4.853 -4.671 572 2HB GLU 72 HB1 GLU 72 -12.125 4.199 -3.217 573 1HG GLU 72 HG2 GLU 72 -12.278 6.375 -2.212 574 2HG GLU 72 HG1 GLU 72 -11.288 7.099 -3.479 575 H PHE 73 HN PHE 73 -8.922 3.649 -4.909 576 HA PHE 73 HA PHE 73 -9.372 0.914 -4.280 577 1HB PHE 73 HB2 PHE 73 -8.657 1.618 -6.514 578 2HB PHE 73 HB1 PHE 73 -7.128 2.208 -5.860 579 HD1 PHE 73 HD1 PHE 73 -9.208 -0.857 -6.297 580 HD2 PHE 73 HD2 PHE 73 -5.291 0.734 -5.532 581 HE1 PHE 73 HE1 PHE 73 -8.232 -3.125 -6.528 582 HE2 PHE 73 HE2 PHE 73 -4.322 -1.532 -5.766 583 HZ PHE 73 HZ PHE 73 -5.792 -3.466 -6.263 584 H MET 74 HN MET 74 -6.596 3.031 -3.555 585 HA MET 74 HA MET 74 -5.027 1.019 -2.263 586 1HB MET 74 HB2 MET 74 -4.097 3.220 -2.942 587 2HB MET 74 HB1 MET 74 -5.064 3.999 -1.688 588 1HG MET 74 HG2 MET 74 -3.891 2.840 0.058 589 2HG MET 74 HG1 MET 74 -3.115 1.765 -1.104 590 1HE MET 74 HE3 MET 74 -0.957 2.138 0.001 591 2HE MET 74 HE2 MET 74 -0.645 2.134 -1.732 592 3HE MET 74 HE1 MET 74 0.183 3.296 -0.699 593 H ALA 75 HN ALA 75 -7.575 3.168 -1.060 594 HA ALA 75 HA ALA 75 -7.267 2.628 1.711 595 1HB ALA 75 HB2 ALA 75 -8.816 4.344 0.622 596 2HB ALA 75 HB1 ALA 75 -9.929 3.010 0.319 597 3HB ALA 75 HB3 ALA 75 -9.505 3.444 1.973 598 H PHE 76 HN PHE 76 -9.025 0.872 -0.836 599 HA PHE 76 HA PHE 76 -10.283 -1.071 0.829 600 1HB PHE 76 HB2 PHE 76 -10.858 -0.812 -1.540 601 2HB PHE 76 HB1 PHE 76 -9.244 -1.343 -2.009 602 HD1 PHE 76 HD2 PHE 76 -8.550 -3.672 -1.755 603 HD2 PHE 76 HD1 PHE 76 -12.502 -2.400 -0.645 604 HE1 PHE 76 HE2 PHE 76 -9.278 -6.038 -1.646 605 HE2 PHE 76 HE1 PHE 76 -13.225 -4.767 -0.526 606 HZ PHE 76 HZ PHE 76 -11.619 -6.589 -1.024 607 H VAL 77 HN VAL 77 -7.140 -1.185 -0.870 608 HA VAL 77 HA VAL 77 -6.364 -3.752 0.129 609 HB VAL 77 HB VAL 77 -4.726 -1.365 -0.775 610 1HG1 VAL 77 HG11 VAL 77 -3.904 -4.088 0.201 611 2HG1 VAL 77 HG13 VAL 77 -2.984 -3.339 -1.106 612 3HG1 VAL 77 HG12 VAL 77 -3.122 -2.527 0.452 613 1HG2 VAL 77 HG21 VAL 77 -6.191 -2.416 -2.473 614 2HG2 VAL 77 HG23 VAL 77 -4.486 -2.683 -2.837 615 3HG2 VAL 77 HG22 VAL 77 -5.450 -3.982 -2.133 616 H SER 78 HN SER 78 -5.722 -0.462 1.335 617 HA SER 78 HA SER 78 -4.145 -1.249 3.583 618 1HB SER 78 HB2 SER 78 -5.930 1.183 3.254 619 2HB SER 78 HB1 SER 78 -4.679 0.989 4.479 620 HG SER 78 HG SER 78 -3.885 2.121 2.671 621 H MET 79 HN MET 79 -7.661 -0.727 3.245 622 HA MET 79 HA MET 79 -8.321 -1.139 5.996 623 1HB MET 79 HB2 MET 79 -9.910 -0.220 4.318 624 2HB MET 79 HB1 MET 79 -9.994 -1.805 3.553 625 1HG MET 79 HG2 MET 79 -10.888 -2.781 5.612 626 2HG MET 79 HG1 MET 79 -10.750 -1.227 6.431 627 1HE MET 79 HE3 MET 79 -12.633 -3.449 3.964 628 2HE MET 79 HE2 MET 79 -13.307 -3.375 5.588 629 3HE MET 79 HE1 MET 79 -14.258 -2.798 4.221 630 H VAL 80 HN VAL 80 -8.257 -3.419 3.255 631 HA VAL 80 HA VAL 80 -8.893 -5.726 4.855 632 HB VAL 80 HB VAL 80 -7.526 -5.451 2.163 633 1HG1 VAL 80 HG13 VAL 80 -8.484 -7.895 3.670 634 2HG1 VAL 80 HG12 VAL 80 -8.189 -7.894 1.931 635 3HG1 VAL 80 HG11 VAL 80 -6.862 -7.584 3.050 636 1HG2 VAL 80 HG21 VAL 80 -10.356 -6.178 2.983 637 2HG2 VAL 80 HG23 VAL 80 -9.853 -4.671 2.218 638 3HG2 VAL 80 HG22 VAL 80 -9.749 -6.191 1.327 639 H THR 81 HN THR 81 -5.836 -4.296 3.732 640 HA THR 81 HA THR 81 -4.113 -6.334 4.752 641 HB THR 81 HB THR 81 -3.564 -3.365 4.428 642 HG1 THR 81 HG1 THR 81 -3.810 -5.487 2.697 643 1HG2 THR 81 HG23 THR 81 -1.763 -5.780 4.739 644 2HG2 THR 81 HG22 THR 81 -1.196 -4.221 4.141 645 3HG2 THR 81 HG21 THR 81 -1.835 -4.358 5.779 646 H THR 82 HN THR 82 -5.435 -3.390 6.235 647 HA THR 82 HA THR 82 -3.956 -3.627 8.696 648 HB THR 82 HB THR 82 -6.587 -2.222 8.137 649 HG1 THR 82 HG1 THR 82 -3.950 -1.207 8.239 650 1HG2 THR 82 HG22 THR 82 -4.615 -2.060 10.429 651 2HG2 THR 82 HG21 THR 82 -5.842 -0.832 10.120 652 3HG2 THR 82 HG23 THR 82 -6.327 -2.481 10.513 653 H ALA 83 HN ALA 83 -7.233 -4.701 7.736 654 HA ALA 83 HA ALA 83 -8.007 -5.623 10.328 655 1HB ALA 83 HB3 ALA 83 -9.570 -5.333 8.389 656 2HB ALA 83 HB2 ALA 83 -8.856 -6.767 7.651 657 3HB ALA 83 HB1 ALA 83 -9.724 -6.902 9.179 658 H CYS 84 HN CYS 84 -6.516 -7.370 7.586 659 HA CYS 84 HA CYS 84 -6.201 -9.793 9.196 660 1HB CYS 84 HB2 CYS 84 -4.997 -10.674 7.231 661 2HB CYS 84 HB1 CYS 84 -6.525 -9.936 6.747 662 HG CYS 84 HG CYS 84 -5.282 -8.230 5.440 663 H HIS 85 HN HIS 85 -4.779 -9.584 10.871 664 HA HIS 85 HA HIS 85 -2.529 -7.831 10.916 665 1HB HIS 85 HB2 HIS 85 -3.654 -8.965 12.900 666 2HB HIS 85 HB1 HIS 85 -2.762 -10.422 12.471 667 HD1 HIS 85 HD1 HIS 85 -2.466 -7.495 14.524 668 HD2 HIS 85 HD2 HIS 85 0.212 -9.743 12.246 669 HE1 HIS 85 HE1 HIS 85 -0.148 -6.957 15.400 670 HE2 HIS 85 HE2 HIS 85 1.493 -8.297 13.998 671 H GLU 86 HN GLU 86 -2.809 -11.262 10.009 672 HA GLU 86 HA GLU 86 -0.347 -11.023 8.412 673 1HB GLU 86 HB2 GLU 86 -0.471 -12.483 10.999 674 2HB GLU 86 HB1 GLU 86 0.192 -13.434 9.672 675 1HG GLU 86 HG2 GLU 86 1.173 -10.634 10.261 676 2HG GLU 86 HG1 GLU 86 1.861 -12.045 11.057 677 H PHE 87 HN PHE 87 -2.036 -13.869 9.715 678 HA PHE 87 HA PHE 87 -3.223 -15.556 8.627 679 1HB PHE 87 HB2 PHE 87 -4.390 -13.161 7.910 680 2HB PHE 87 HB1 PHE 87 -4.044 -13.851 6.328 681 HD1 PHE 87 HD2 PHE 87 -4.837 -16.252 5.859 682 HD2 PHE 87 HD1 PHE 87 -6.220 -13.935 9.203 683 HE1 PHE 87 HE2 PHE 87 -6.791 -17.756 6.092 684 HE2 PHE 87 HE1 PHE 87 -8.170 -15.448 9.442 685 HZ PHE 87 HZ PHE 87 -8.456 -17.359 7.887 686 H PHE 88 HN PHE 88 -0.382 -14.695 7.754 687 HA PHE 88 HA PHE 88 -0.321 -15.650 4.967 688 1HB PHE 88 HB2 PHE 88 1.889 -14.898 4.887 689 2HB PHE 88 HB1 PHE 88 1.196 -13.801 6.074 690 HD1 PHE 88 HD2 PHE 88 1.064 -15.356 8.532 691 HD2 PHE 88 HD1 PHE 88 4.109 -15.333 5.502 692 HE1 PHE 88 HE2 PHE 88 2.722 -16.127 10.196 693 HE2 PHE 88 HE1 PHE 88 5.771 -16.098 7.176 694 HZ PHE 88 HZ PHE 88 5.079 -16.497 9.518 695 H GLU 89 HN GLU 89 0.464 -17.626 4.316 696 HA GLU 89 HA GLU 89 0.644 -19.944 4.473 697 1HB GLU 89 HB2 GLU 89 2.626 -20.712 5.667 698 2HB GLU 89 HB1 GLU 89 2.980 -19.236 4.780 699 1HG GLU 89 HG2 GLU 89 2.910 -17.920 6.793 700 2HG GLU 89 HG1 GLU 89 2.255 -19.263 7.725 701 H HIS 90 HN HIS 90 0.762 -21.875 6.002 702 HA HIS 90 HA HIS 90 -1.523 -21.711 7.805 703 1HB HIS 90 HB2 HIS 90 -0.720 -24.202 8.210 704 2HB HIS 90 HB1 HIS 90 -1.445 -23.751 6.668 705 HD1 HIS 90 HD1 HIS 90 -0.164 -25.078 4.981 706 HD2 HIS 90 HD2 HIS 90 2.382 -23.228 7.711 707 HE1 HIS 90 HE1 HIS 90 2.198 -25.453 4.138 708 HE2 HIS 90 HE2 HIS 90 3.751 -24.324 5.792 709 H GLU 91 HN GLU 91 -1.417 -22.409 10.093 710 HA GLU 91 HA GLU 91 1.223 -22.401 11.393 711 1HB GLU 91 HB2 GLU 91 -0.805 -20.189 11.787 712 2HB GLU 91 HB1 GLU 91 0.393 -20.582 13.020 713 1HG GLU 91 HG2 GLU 91 2.188 -20.268 11.286 714 2HG GLU 91 HG1 GLU 91 0.943 -19.702 10.171 715 1H MET 0 HT1 MET 0 -1.607 -15.761 -6.033 716 2H MET 0 HT3 MET 0 -1.597 -16.998 -4.875 717 3H MET 0 HT2 MET 0 -0.641 -15.613 -4.643 718 HA MET 0 HA MET 0 0.900 -17.162 -5.366 719 1HB MET 0 HB2 MET 0 -0.861 -18.846 -5.954 720 2HB MET 0 HB1 MET 0 -1.104 -18.000 -7.482 721 1HG MET 0 HG2 MET 0 1.228 -18.415 -8.111 722 2HG MET 0 HG1 MET 0 1.529 -19.197 -6.560 723 1HE MET 0 HE1 MET 0 1.955 -20.224 -9.582 724 2HE MET 0 HE3 MET 0 2.503 -21.185 -8.200 725 3HE MET 0 HE2 MET 0 1.518 -21.925 -9.459 726 H SER 1 HN SER 1 -1.004 -14.867 -7.034 727 HA SER 1 HA SER 1 0.736 -14.553 -9.351 728 1HB SER 1 HB2 SER 1 -0.571 -12.480 -9.729 729 2HB SER 1 HB1 SER 1 -1.615 -13.871 -9.453 730 HG SER 1 HG SER 1 -1.446 -11.586 -8.079 731 H GLU 2 HN GLU 2 1.777 -12.356 -9.734 732 HA GLU 2 HA GLU 2 3.810 -11.879 -7.803 733 1HB GLU 2 HB2 GLU 2 2.793 -10.201 -10.104 734 2HB GLU 2 HB1 GLU 2 4.219 -9.779 -9.155 735 1HG GLU 2 HG2 GLU 2 5.259 -11.928 -9.728 736 2HG GLU 2 HG1 GLU 2 3.829 -12.387 -10.654 737 H LEU 3 HN LEU 3 0.742 -10.217 -8.449 738 HA LEU 3 HA LEU 3 1.153 -8.046 -6.680 739 1HB LEU 3 HB2 LEU 3 -0.793 -8.627 -8.407 740 2HB LEU 3 HB1 LEU 3 -1.581 -9.281 -6.978 741 HG LEU 3 HG LEU 3 -2.266 -6.962 -7.314 742 1HD1 LEU 3 HD12 LEU 3 -1.699 -7.974 -4.967 743 2HD1 LEU 3 HD11 LEU 3 -0.341 -6.846 -5.004 744 3HD1 LEU 3 HD13 LEU 3 -1.993 -6.241 -5.108 745 1HD2 LEU 3 HD21 LEU 3 0.192 -6.494 -8.374 746 2HD2 LEU 3 HD23 LEU 3 -0.849 -5.209 -7.767 747 3HD2 LEU 3 HD22 LEU 3 0.448 -5.843 -6.757 748 H GLU 4 HN GLU 4 -0.149 -11.312 -6.101 749 HA GLU 4 HA GLU 4 -0.866 -10.902 -3.372 750 1HB GLU 4 HB2 GLU 4 0.053 -13.392 -4.838 751 2HB GLU 4 HB1 GLU 4 -0.564 -13.413 -3.185 752 1HG GLU 4 HG2 GLU 4 -2.090 -12.300 -5.557 753 2HG GLU 4 HG1 GLU 4 -2.314 -13.928 -4.914 754 H LYS 5 HN LYS 5 2.178 -12.016 -4.845 755 HA LYS 5 HA LYS 5 3.609 -12.404 -2.404 756 1HB LYS 5 HB2 LYS 5 4.363 -13.205 -4.653 757 2HB LYS 5 HB1 LYS 5 4.720 -11.535 -5.092 758 1HG LYS 5 HG2 LYS 5 6.313 -11.368 -3.217 759 2HG LYS 5 HG1 LYS 5 5.958 -13.032 -2.760 760 1HD LYS 5 HD2 LYS 5 6.926 -12.370 -5.542 761 2HD LYS 5 HD1 LYS 5 8.068 -12.570 -4.217 762 1HE LYS 5 HE2 LYS 5 7.023 -14.833 -3.769 763 2HE LYS 5 HE1 LYS 5 6.094 -14.627 -5.253 764 1HZ LYS 5 HZ1 LYS 5 8.733 -14.026 -5.863 765 2HZ LYS 5 HZ3 LYS 5 8.773 -15.452 -4.948 766 3HZ LYS 5 HZ2 LYS 5 7.832 -15.379 -6.362 767 H ALA 6 HN ALA 6 3.177 -9.531 -4.454 768 HA ALA 6 HA ALA 6 5.020 -7.839 -3.103 769 1HB ALA 6 HB1 ALA 6 2.501 -7.289 -4.675 770 2HB ALA 6 HB3 ALA 6 3.431 -5.981 -3.940 771 3HB ALA 6 HB2 ALA 6 4.179 -7.016 -5.155 772 H MET 7 HN MET 7 1.506 -8.288 -2.524 773 HA MET 7 HA MET 7 1.338 -6.459 -0.352 774 1HB MET 7 HB2 MET 7 -0.647 -7.439 -1.484 775 2HB MET 7 HB1 MET 7 -0.261 -9.003 -0.767 776 1HG MET 7 HG2 MET 7 -0.812 -8.295 1.393 777 2HG MET 7 HG1 MET 7 -0.582 -6.591 1.008 778 1HE MET 7 HE1 MET 7 -2.580 -9.701 0.815 779 2HE MET 7 HE3 MET 7 -3.419 -8.784 2.074 780 3HE MET 7 HE2 MET 7 -4.249 -9.195 0.576 781 H VAL 8 HN VAL 8 2.160 -9.905 -0.428 782 HA VAL 8 HA VAL 8 2.336 -10.237 2.417 783 HB VAL 8 HB VAL 8 3.610 -11.745 0.120 784 1HG1 VAL 8 HG13 VAL 8 3.724 -12.224 3.108 785 2HG1 VAL 8 HG12 VAL 8 3.969 -13.521 1.938 786 3HG1 VAL 8 HG11 VAL 8 5.070 -12.144 1.970 787 1HG2 VAL 8 HG23 VAL 8 1.300 -12.322 1.999 788 2HG2 VAL 8 HG22 VAL 8 1.172 -11.932 0.285 789 3HG2 VAL 8 HG21 VAL 8 1.911 -13.451 0.792 790 H ALA 9 HN ALA 9 4.703 -9.244 -0.034 791 HA ALA 9 HA ALA 9 7.023 -9.311 1.601 792 1HB ALA 9 HB2 ALA 9 7.061 -8.946 -0.849 793 2HB ALA 9 HB1 ALA 9 6.354 -7.346 -0.617 794 3HB ALA 9 HB3 ALA 9 7.969 -7.694 -0.001 795 H LEU 10 HN LEU 10 4.593 -6.717 1.207 796 HA LEU 10 HA LEU 10 5.946 -4.748 2.758 797 1HB LEU 10 HB2 LEU 10 3.090 -5.269 2.008 798 2HB LEU 10 HB1 LEU 10 3.395 -4.074 3.261 799 HG LEU 10 HG LEU 10 3.238 -3.205 0.855 800 1HD1 LEU 10 HD12 LEU 10 4.440 -2.077 2.875 801 2HD1 LEU 10 HD11 LEU 10 5.927 -2.541 2.052 802 3HD1 LEU 10 HD13 LEU 10 4.772 -1.477 1.255 803 1HD2 LEU 10 HD22 LEU 10 4.745 -5.188 0.054 804 2HD2 LEU 10 HD21 LEU 10 4.956 -3.610 -0.689 805 3HD2 LEU 10 HD23 LEU 10 6.081 -4.158 0.547 806 H ILE 11 HN ILE 11 3.671 -7.314 3.752 807 HA ILE 11 HA ILE 11 3.726 -6.573 6.546 808 HB ILE 11 HB ILE 11 2.974 -9.180 5.191 809 1HG1 ILE 11 HG12 ILE 11 1.201 -6.978 6.279 810 2HG1 ILE 11 HG11 ILE 11 1.693 -7.062 4.588 811 1HG2 ILE 11 HG23 ILE 11 2.681 -8.188 8.029 812 2HG2 ILE 11 HG22 ILE 11 1.620 -9.433 7.368 813 3HG2 ILE 11 HG21 ILE 11 3.358 -9.719 7.470 814 1HD1 ILE 11 HD12 ILE 11 0.234 -9.269 6.071 815 2HD1 ILE 11 HD11 ILE 11 -0.535 -8.112 4.984 816 3HD1 ILE 11 HD13 ILE 11 0.651 -9.260 4.358 817 H ASP 12 HN ASP 12 5.379 -9.135 4.682 818 HA ASP 12 HA ASP 12 6.833 -10.153 6.940 819 1HB ASP 12 HB2 ASP 12 6.390 -11.397 4.813 820 2HB ASP 12 HB1 ASP 12 7.582 -10.372 4.012 821 H VAL 13 HN VAL 13 7.806 -7.891 4.321 822 HA VAL 13 HA VAL 13 10.502 -7.589 5.165 823 HB VAL 13 HB VAL 13 8.647 -5.648 3.753 824 1HG1 VAL 13 HG13 VAL 13 11.586 -5.471 4.429 825 2HG1 VAL 13 HG12 VAL 13 10.929 -4.645 3.015 826 3HG1 VAL 13 HG11 VAL 13 10.339 -4.243 4.627 827 1HG2 VAL 13 HG21 VAL 13 9.233 -7.838 2.641 828 2HG2 VAL 13 HG23 VAL 13 9.768 -6.411 1.754 829 3HG2 VAL 13 HG22 VAL 13 10.923 -7.347 2.701 830 H PHE 14 HN PHE 14 7.584 -5.828 6.145 831 HA PHE 14 HA PHE 14 8.841 -3.837 7.722 832 1HB PHE 14 HB2 PHE 14 6.435 -3.846 7.102 833 2HB PHE 14 HB1 PHE 14 6.176 -5.197 8.202 834 HD1 PHE 14 HD1 PHE 14 6.434 -4.890 10.668 835 HD2 PHE 14 HD2 PHE 14 6.747 -1.611 7.909 836 HE1 PHE 14 HE1 PHE 14 6.134 -3.284 12.535 837 HE2 PHE 14 HE2 PHE 14 6.454 -0.010 9.774 838 HZ PHE 14 HZ PHE 14 6.143 -0.845 12.084 839 H HIS 15 HN HIS 15 7.678 -7.068 8.655 840 HA HIS 15 HA HIS 15 8.373 -6.812 11.417 841 1HB HIS 15 HB2 HIS 15 6.805 -8.509 10.554 842 2HB HIS 15 HB1 HIS 15 8.144 -9.331 9.753 843 HD1 HIS 15 HD1 HIS 15 9.542 -10.898 11.154 844 HD2 HIS 15 HD2 HIS 15 7.062 -8.473 13.479 845 HE1 HIS 15 HE1 HIS 15 9.771 -11.713 13.549 846 HE2 HIS 15 HE2 HIS 15 8.251 -10.258 14.963 847 H GLN 16 HN GLN 16 10.228 -8.080 8.642 848 HA GLN 16 HA GLN 16 12.379 -9.194 10.109 849 1HB GLN 16 HB2 GLN 16 12.288 -7.921 7.368 850 2HB GLN 16 HB1 GLN 16 13.709 -8.755 7.993 851 1HG GLN 16 HG2 GLN 16 10.974 -10.047 7.878 852 2HG GLN 16 HG1 GLN 16 12.145 -10.175 6.564 853 1HE2 GLN 16 HE22 GLN 16 14.280 -12.415 8.329 854 2HE2 GLN 16 HE21 GLN 16 14.174 -11.342 7.019 855 H TYR 17 HN TYR 17 12.140 -5.859 8.758 856 HA TYR 17 HA TYR 17 14.691 -5.078 9.845 857 1HB TYR 17 HB2 TYR 17 12.332 -3.549 8.752 858 2HB TYR 17 HB1 TYR 17 13.699 -2.693 9.469 859 HD1 TYR 17 HD1 TYR 17 12.600 -4.858 6.686 860 HD2 TYR 17 HD2 TYR 17 15.898 -2.711 8.405 861 HE1 TYR 17 HE1 TYR 17 13.876 -5.124 4.573 862 HE2 TYR 17 HE2 TYR 17 17.173 -2.978 6.294 863 HH TYR 17 HH TYR 17 16.141 -3.457 3.570 864 H SER 18 HN SER 18 11.362 -4.732 11.096 865 HA SER 18 HA SER 18 11.999 -3.065 13.315 866 1HB SER 18 HB2 SER 18 9.685 -3.547 12.609 867 2HB SER 18 HB1 SER 18 9.871 -5.219 13.131 868 HG SER 18 HG SER 18 10.574 -3.332 15.007 869 H GLY 19 HN GLY 19 11.950 -6.627 13.083 870 1HA GLY 19 HA2 GLY 19 12.763 -6.931 15.872 871 2HA GLY 19 HA1 GLY 19 12.579 -8.225 14.693 872 H ARG 20 HN ARG 20 14.532 -6.076 13.139 873 HA ARG 20 HA ARG 20 16.806 -7.751 13.364 874 1HB ARG 20 HB2 ARG 20 17.905 -6.254 11.935 875 2HB ARG 20 HB1 ARG 20 16.215 -6.006 11.551 876 1HG ARG 20 HG2 ARG 20 16.883 -3.798 11.765 877 2HG ARG 20 HG1 ARG 20 16.366 -4.117 13.413 878 1HD ARG 20 HD2 ARG 20 18.551 -4.091 14.225 879 2HD ARG 20 HD1 ARG 20 19.241 -4.682 12.723 880 HE ARG 20 HE ARG 20 18.311 -2.154 12.081 881 1HH1 ARG 20 HH21 ARG 20 20.282 -3.554 14.534 882 2HH1 ARG 20 HH22 ARG 20 21.322 -2.176 14.682 883 1HH2 ARG 20 HH11 ARG 20 19.672 -0.337 12.248 884 2HH2 ARG 20 HH12 ARG 20 20.977 -0.355 13.388 885 H GLU 21 HN GLU 21 16.069 -4.717 15.126 886 HA GLU 21 HA GLU 21 18.647 -4.803 16.501 887 1HB GLU 21 HB2 GLU 21 17.456 -2.658 16.153 888 2HB GLU 21 HB1 GLU 21 16.147 -3.225 17.193 889 1HG GLU 21 HG2 GLU 21 17.708 -3.427 19.082 890 2HG GLU 21 HG1 GLU 21 19.046 -2.936 18.047 891 H GLY 22 HN GLY 22 15.307 -5.715 17.294 892 1HA GLY 22 HA2 GLY 22 15.642 -7.914 18.813 893 2HA GLY 22 HA1 GLY 22 16.132 -6.669 19.963 894 H ASP 23 HN ASP 23 14.211 -4.719 18.763 895 HA ASP 23 HA ASP 23 11.791 -5.686 20.216 896 1HB ASP 23 HB2 ASP 23 12.600 -2.954 19.172 897 2HB ASP 23 HB1 ASP 23 11.066 -3.288 19.977 898 H LYS 24 HN LYS 24 10.397 -6.769 18.880 899 HA LYS 24 HA LYS 24 10.130 -5.897 16.038 900 1HB LYS 24 HB2 LYS 24 8.848 -8.052 15.795 901 2HB LYS 24 HB1 LYS 24 10.538 -8.252 16.237 902 1HG LYS 24 HG2 LYS 24 9.645 -8.319 18.690 903 2HG LYS 24 HG1 LYS 24 8.080 -8.623 17.947 904 1HD LYS 24 HD2 LYS 24 9.181 -10.522 16.672 905 2HD LYS 24 HD1 LYS 24 10.592 -10.285 17.701 906 1HE LYS 24 HE2 LYS 24 7.795 -11.037 18.586 907 2HE LYS 24 HE1 LYS 24 9.259 -12.012 18.724 908 1HZ LYS 24 HZ1 LYS 24 10.150 -10.086 20.090 909 2HZ LYS 24 HZ3 LYS 24 8.542 -9.555 20.200 910 3HZ LYS 24 HZ2 LYS 24 8.979 -11.078 20.818 911 H HIS 25 HN HIS 25 8.733 -4.154 16.064 912 HA HIS 25 HA HIS 25 5.931 -4.647 16.276 913 1HB HIS 25 HB2 HIS 25 6.341 -4.691 18.710 914 2HB HIS 25 HB1 HIS 25 7.123 -3.115 18.611 915 HD1 HIS 25 HD1 HIS 25 5.162 -2.286 20.256 916 HD2 HIS 25 HD2 HIS 25 3.946 -3.407 16.427 917 HE1 HIS 25 HE1 HIS 25 2.816 -1.378 19.948 918 HE2 HIS 25 HE2 HIS 25 2.055 -2.080 17.636 919 H LYS 26 HN LYS 26 8.347 -2.063 16.810 920 HA LYS 26 HA LYS 26 7.065 -0.475 14.649 921 1HB LYS 26 HB2 LYS 26 7.159 1.556 16.158 922 2HB LYS 26 HB1 LYS 26 5.959 0.349 16.625 923 1HG LYS 26 HG2 LYS 26 7.616 -0.608 18.241 924 2HG LYS 26 HG1 LYS 26 8.716 0.709 17.831 925 1HD LYS 26 HD2 LYS 26 7.133 2.358 18.639 926 2HD LYS 26 HD1 LYS 26 5.906 1.114 18.890 927 1HE LYS 26 HE2 LYS 26 7.270 0.050 20.607 928 2HE LYS 26 HE1 LYS 26 8.585 1.186 20.309 929 1HZ LYS 26 HZ1 LYS 26 6.156 2.565 20.780 930 2HZ LYS 26 HZ3 LYS 26 6.472 1.494 22.057 931 3HZ LYS 26 HZ2 LYS 26 7.624 2.668 21.630 932 H LEU 27 HN LEU 27 8.465 1.335 13.941 933 HA LEU 27 HA LEU 27 11.363 0.661 14.316 934 1HB LEU 27 HB2 LEU 27 9.962 2.263 12.148 935 2HB LEU 27 HB1 LEU 27 11.691 1.934 12.216 936 HG LEU 27 HG LEU 27 10.881 -0.606 12.383 937 1HD1 LEU 27 HD12 LEU 27 8.555 0.808 11.041 938 2HD1 LEU 27 HD11 LEU 27 8.881 -0.913 10.871 939 3HD1 LEU 27 HD13 LEU 27 8.490 -0.246 12.453 940 1HD2 LEU 27 HD21 LEU 27 10.949 1.064 9.854 941 2HD2 LEU 27 HD23 LEU 27 12.283 0.170 10.580 942 3HD2 LEU 27 HD22 LEU 27 10.932 -0.699 9.855 943 H LYS 28 HN LYS 28 12.809 2.254 15.007 944 HA LYS 28 HA LYS 28 11.607 4.672 16.223 945 1HB LYS 28 HB2 LYS 28 14.124 4.932 16.976 946 2HB LYS 28 HB1 LYS 28 13.110 3.711 17.740 947 1HG LYS 28 HG2 LYS 28 14.019 1.976 16.332 948 2HG LYS 28 HG1 LYS 28 14.868 3.165 15.347 949 1HD LYS 28 HD2 LYS 28 16.453 2.148 16.885 950 2HD LYS 28 HD1 LYS 28 16.202 3.831 17.349 951 1HE LYS 28 HE2 LYS 28 14.420 1.779 18.624 952 2HE LYS 28 HE1 LYS 28 16.100 1.844 19.157 953 1HZ LYS 28 HZ3 LYS 28 14.439 4.280 18.955 954 2HZ LYS 28 HZ2 LYS 28 14.444 3.319 20.356 955 3HZ LYS 28 HZ1 LYS 28 15.880 4.056 19.822 956 H LYS 29 HN LYS 29 13.195 6.701 15.992 957 HA LYS 29 HA LYS 29 13.022 7.583 13.295 958 1HB LYS 29 HB2 LYS 29 14.705 8.587 15.601 959 2HB LYS 29 HB1 LYS 29 14.580 9.423 14.057 960 1HG LYS 29 HG2 LYS 29 12.212 9.746 14.323 961 2HG LYS 29 HG1 LYS 29 12.163 8.689 15.732 962 1HD LYS 29 HD2 LYS 29 14.016 11.050 15.886 963 2HD LYS 29 HD1 LYS 29 12.288 11.389 15.947 964 1HE LYS 29 HE2 LYS 29 13.397 11.006 18.201 965 2HE LYS 29 HE1 LYS 29 11.989 9.996 17.875 966 1HZ LYS 29 HZ1 LYS 29 13.513 8.249 17.114 967 2HZ LYS 29 HZ3 LYS 29 14.831 9.215 17.566 968 3HZ LYS 29 HZ2 LYS 29 13.748 8.653 18.748 969 H SER 30 HN SER 30 15.889 6.447 15.120 970 HA SER 30 HA SER 30 17.743 6.799 12.972 971 1HB SER 30 HB2 SER 30 18.466 6.416 15.301 972 2HB SER 30 HB1 SER 30 17.813 4.781 15.244 973 HG SER 30 HG SER 30 19.778 4.354 14.569 974 H GLU 31 HN GLU 31 15.818 3.974 13.951 975 HA GLU 31 HA GLU 31 16.837 2.239 11.881 976 1HB GLU 31 HB2 GLU 31 15.716 1.484 13.999 977 2HB GLU 31 HB1 GLU 31 14.185 2.055 13.333 978 1HG GLU 31 HG2 GLU 31 14.445 0.521 11.417 979 2HG GLU 31 HG1 GLU 31 15.982 -0.042 12.079 980 H LEU 32 HN LEU 32 14.162 4.534 12.047 981 HA LEU 32 HA LEU 32 12.678 3.653 9.804 982 1HB LEU 32 HB2 LEU 32 11.836 5.343 11.365 983 2HB LEU 32 HB1 LEU 32 13.105 6.460 10.877 984 HG LEU 32 HG LEU 32 12.165 6.487 8.569 985 1HD1 LEU 32 HD11 LEU 32 10.191 4.582 9.832 986 2HD1 LEU 32 HD13 LEU 32 9.750 5.556 8.427 987 3HD1 LEU 32 HD12 LEU 32 11.073 4.399 8.316 988 1HD2 LEU 32 HD22 LEU 32 10.403 7.214 10.917 989 2HD2 LEU 32 HD21 LEU 32 11.426 8.266 9.939 990 3HD2 LEU 32 HD23 LEU 32 9.942 7.606 9.258 991 H LYS 33 HN LYS 33 15.295 6.113 9.925 992 HA LYS 33 HA LYS 33 15.296 6.608 7.124 993 1HB LYS 33 HB2 LYS 33 17.682 7.370 7.516 994 2HB LYS 33 HB1 LYS 33 16.463 8.149 8.518 995 1HG LYS 33 HG2 LYS 33 16.980 6.672 10.377 996 2HG LYS 33 HG1 LYS 33 18.139 5.784 9.396 997 1HD LYS 33 HD2 LYS 33 18.428 8.769 9.790 998 2HD LYS 33 HD1 LYS 33 19.015 7.649 11.013 999 1HE LYS 33 HE2 LYS 33 20.899 8.031 9.643 1000 2HE LYS 33 HE1 LYS 33 20.281 6.485 9.072 1001 1HZ LYS 33 HZ3 LYS 33 19.054 8.701 7.742 1002 2HZ LYS 33 HZ2 LYS 33 20.742 8.705 7.554 1003 3HZ LYS 33 HZ1 LYS 33 19.838 7.347 7.087 1004 H GLU 34 HN GLU 34 16.979 4.143 9.057 1005 HA GLU 34 HA GLU 34 18.665 3.144 6.992 1006 1HB GLU 34 HB2 GLU 34 18.837 2.493 9.393 1007 2HB GLU 34 HB1 GLU 34 17.352 1.557 9.215 1008 1HG GLU 34 HG2 GLU 34 18.401 0.138 7.534 1009 2HG GLU 34 HG1 GLU 34 19.869 1.113 7.587 1010 H LEU 35 HN LEU 35 15.341 2.221 7.884 1011 HA LEU 35 HA LEU 35 15.005 0.103 6.016 1012 1HB LEU 35 HB2 LEU 35 13.445 0.645 7.877 1013 2HB LEU 35 HB1 LEU 35 12.969 2.107 7.030 1014 HG LEU 35 HG LEU 35 12.289 0.562 5.075 1015 1HD1 LEU 35 HD13 LEU 35 12.702 -1.449 7.303 1016 2HD1 LEU 35 HD12 LEU 35 11.635 -1.755 5.934 1017 3HD1 LEU 35 HD11 LEU 35 13.355 -1.492 5.671 1018 1HD2 LEU 35 HD21 LEU 35 10.724 1.693 6.722 1019 2HD2 LEU 35 HD23 LEU 35 10.102 0.201 6.019 1020 3HD2 LEU 35 HD22 LEU 35 10.749 0.200 7.658 1021 H ILE 36 HN ILE 36 14.480 3.585 5.724 1022 HA ILE 36 HA ILE 36 13.437 3.521 3.044 1023 HB ILE 36 HB ILE 36 14.738 5.731 4.657 1024 1HG1 ILE 36 HG12 ILE 36 11.820 5.262 3.965 1025 2HG1 ILE 36 HG11 ILE 36 12.554 4.704 5.470 1026 1HG2 ILE 36 HG23 ILE 36 13.376 5.728 1.959 1027 2HG2 ILE 36 HG22 ILE 36 13.491 7.186 2.944 1028 3HG2 ILE 36 HG21 ILE 36 14.958 6.386 2.381 1029 1HD1 ILE 36 HD11 ILE 36 13.203 7.026 6.009 1030 2HD1 ILE 36 HD13 ILE 36 12.463 7.583 4.511 1031 3HD1 ILE 36 HD12 ILE 36 11.458 6.897 5.790 1032 H ASN 37 HN ASN 37 16.715 3.851 4.368 1033 HA ASN 37 HA ASN 37 18.025 4.715 2.010 1034 1HB ASN 37 HB2 ASN 37 19.074 4.649 4.261 1035 2HB ASN 37 HB1 ASN 37 19.140 2.889 4.154 1036 1HD2 ASN 37 HD22 ASN 37 22.292 3.164 2.599 1037 2HD2 ASN 37 HD21 ASN 37 21.358 2.459 3.828 1038 H ASN 38 HN ASN 38 17.487 1.332 3.124 1039 HA ASN 38 HA ASN 38 18.715 0.284 0.676 1040 1HB ASN 38 HB2 ASN 38 17.506 -1.899 1.694 1041 2HB ASN 38 HB1 ASN 38 19.019 -1.275 2.346 1042 1HD2 ASN 38 HD22 ASN 38 15.620 -0.991 4.582 1043 2HD2 ASN 38 HD21 ASN 38 15.549 -1.559 2.984 1044 H GLU 39 HN GLU 39 15.574 1.380 1.570 1045 HA GLU 39 HA GLU 39 14.226 -0.204 -0.537 1046 1HB GLU 39 HB2 GLU 39 13.340 1.700 1.611 1047 2HB GLU 39 HB1 GLU 39 12.278 1.458 0.227 1048 1HG GLU 39 HG2 GLU 39 11.751 -0.094 2.091 1049 2HG GLU 39 HG1 GLU 39 12.257 -0.953 0.637 1050 H LEU 40 HN LEU 40 14.029 3.318 0.119 1051 HA LEU 40 HA LEU 40 14.024 3.773 -2.820 1052 1HB LEU 40 HB2 LEU 40 13.555 5.687 -0.502 1053 2HB LEU 40 HB1 LEU 40 13.433 6.110 -2.209 1054 HG LEU 40 HG LEU 40 11.743 4.031 -2.258 1055 1HD1 LEU 40 HD13 LEU 40 12.307 3.798 0.340 1056 2HD1 LEU 40 HD12 LEU 40 11.063 5.030 0.493 1057 3HD1 LEU 40 HD11 LEU 40 10.690 3.485 -0.271 1058 1HD2 LEU 40 HD23 LEU 40 11.023 6.765 -1.141 1059 2HD2 LEU 40 HD22 LEU 40 11.149 6.349 -2.848 1060 3HD2 LEU 40 HD21 LEU 40 9.883 5.628 -1.857 1061 H SER 41 HN SER 41 16.123 3.761 -3.567 1062 HA SER 41 HA SER 41 18.206 5.252 -2.035 1063 1HB SER 41 HB2 SER 41 19.785 4.138 -3.617 1064 2HB SER 41 HB1 SER 41 18.832 2.994 -2.676 1065 HG SER 41 HG SER 41 17.886 2.350 -4.444 1066 H HIS 42 HN HIS 42 16.760 5.057 -5.307 1067 HA HIS 42 HA HIS 42 17.892 7.793 -5.859 1068 1HB HIS 42 HB2 HIS 42 18.906 5.877 -7.191 1069 2HB HIS 42 HB1 HIS 42 17.321 5.662 -7.932 1070 HD1 HIS 42 HD1 HIS 42 19.888 8.457 -7.434 1071 HD2 HIS 42 HD2 HIS 42 16.906 7.303 -10.111 1072 HE1 HIS 42 HE1 HIS 42 19.970 10.111 -9.358 1073 HE2 HIS 42 HE2 HIS 42 18.160 9.412 -10.993 1074 H PHE 43 HN PHE 43 15.037 5.897 -5.596 1075 HA PHE 43 HA PHE 43 13.428 7.275 -7.557 1076 1HB PHE 43 HB2 PHE 43 12.820 5.105 -6.368 1077 2HB PHE 43 HB1 PHE 43 12.408 6.085 -4.962 1078 HD1 PHE 43 HD2 PHE 43 11.527 5.262 -8.442 1079 HD2 PHE 43 HD1 PHE 43 10.460 7.567 -4.975 1080 HE1 PHE 43 HE2 PHE 43 9.315 5.751 -9.447 1081 HE2 PHE 43 HE1 PHE 43 8.246 8.058 -5.991 1082 HZ PHE 43 HZ PHE 43 7.673 7.145 -8.223 1083 H LEU 44 HN LEU 44 14.031 7.797 -4.093 1084 HA LEU 44 HA LEU 44 12.577 10.399 -4.237 1085 1HB LEU 44 HB2 LEU 44 12.114 8.603 -2.432 1086 2HB LEU 44 HB1 LEU 44 13.674 9.067 -1.761 1087 HG LEU 44 HG LEU 44 12.708 11.521 -1.904 1088 1HD1 LEU 44 HD12 LEU 44 10.190 9.817 -1.862 1089 2HD1 LEU 44 HD11 LEU 44 10.247 11.544 -1.523 1090 3HD1 LEU 44 HD13 LEU 44 10.650 10.950 -3.131 1091 1HD2 LEU 44 HD23 LEU 44 11.930 9.400 0.110 1092 2HD2 LEU 44 HD22 LEU 44 13.237 10.575 0.226 1093 3HD2 LEU 44 HD21 LEU 44 11.560 11.108 0.364 1094 H GLU 45 HN GLU 45 13.715 12.266 -4.140 1095 HA GLU 45 HA GLU 45 16.674 12.105 -3.880 1096 1HB GLU 45 HB2 GLU 45 15.733 13.161 -5.901 1097 2HB GLU 45 HB1 GLU 45 14.858 14.318 -4.899 1098 1HG GLU 45 HG2 GLU 45 16.961 15.234 -4.062 1099 2HG GLU 45 HG1 GLU 45 17.883 14.021 -4.948 1100 H GLU 46 HN GLU 46 13.938 12.956 -2.050 1101 HA GLU 46 HA GLU 46 15.155 15.159 -0.585 1102 1HB GLU 46 HB2 GLU 46 12.597 14.420 -0.966 1103 2HB GLU 46 HB1 GLU 46 12.859 13.614 0.575 1104 1HG GLU 46 HG2 GLU 46 12.102 15.741 1.234 1105 2HG GLU 46 HG1 GLU 46 13.852 15.911 1.336 1106 H ILE 47 HN ILE 47 14.575 14.519 2.083 1107 HA ILE 47 HA ILE 47 15.623 13.601 3.959 1108 HB ILE 47 HB ILE 47 15.728 11.135 2.183 1109 1HG1 ILE 47 HG12 ILE 47 13.712 11.917 4.312 1110 2HG1 ILE 47 HG11 ILE 47 13.453 12.155 2.584 1111 1HG2 ILE 47 HG23 ILE 47 16.337 11.623 5.092 1112 2HG2 ILE 47 HG22 ILE 47 15.640 10.077 4.614 1113 3HG2 ILE 47 HG21 ILE 47 17.180 10.596 3.932 1114 1HD1 ILE 47 HD12 ILE 47 13.962 9.632 2.347 1115 2HD1 ILE 47 HD11 ILE 47 13.729 9.549 4.093 1116 3HD1 ILE 47 HD13 ILE 47 12.409 10.077 3.049 1117 H LYS 48 HN LYS 48 17.401 15.147 3.287 1118 HA LYS 48 HA LYS 48 19.867 13.704 2.379 1119 1HB LYS 48 HB2 LYS 48 20.648 16.229 2.145 1120 2HB LYS 48 HB1 LYS 48 19.649 15.480 0.898 1121 1HG LYS 48 HG2 LYS 48 17.645 16.473 1.789 1122 2HG LYS 48 HG1 LYS 48 18.497 17.044 3.223 1123 1HD LYS 48 HD2 LYS 48 19.887 18.518 1.809 1124 2HD LYS 48 HD1 LYS 48 19.031 17.952 0.376 1125 1HE LYS 48 HE2 LYS 48 17.544 19.158 2.711 1126 2HE LYS 48 HE1 LYS 48 18.230 20.171 1.442 1127 1HZ LYS 48 HZ1 LYS 48 16.482 17.866 0.821 1128 2HZ LYS 48 HZ3 LYS 48 15.851 19.411 1.143 1129 3HZ LYS 48 HZ2 LYS 48 16.898 19.179 -0.173 1130 H GLU 49 HN GLU 49 18.681 16.033 4.822 1131 HA GLU 49 HA GLU 49 21.078 15.370 6.514 1132 1HB GLU 49 HB2 GLU 49 19.406 17.857 6.223 1133 2HB GLU 49 HB1 GLU 49 20.200 17.540 7.763 1134 1HG GLU 49 HG2 GLU 49 21.682 18.904 6.431 1135 2HG GLU 49 HG1 GLU 49 22.369 17.281 6.496 1136 H GLN 50 HN GLN 50 20.698 14.991 8.763 1137 HA GLN 50 HA GLN 50 18.476 13.317 9.342 1138 1HB GLN 50 HB2 GLN 50 20.768 13.509 10.524 1139 2HB GLN 50 HB1 GLN 50 20.037 14.821 11.446 1140 1HG GLN 50 HG2 GLN 50 18.875 12.026 11.252 1141 2HG GLN 50 HG1 GLN 50 19.874 12.596 12.588 1142 1HE2 GLN 50 HE22 GLN 50 15.974 13.332 12.739 1143 2HE2 GLN 50 HE21 GLN 50 16.691 12.149 11.755 1144 H GLU 51 HN GLU 51 19.013 16.772 10.081 1145 HA GLU 51 HA GLU 51 16.700 17.136 11.703 1146 1HB GLU 51 HB2 GLU 51 16.851 19.563 10.872 1147 2HB GLU 51 HB1 GLU 51 18.258 18.921 11.713 1148 1HG GLU 51 HG2 GLU 51 19.468 18.620 9.700 1149 2HG GLU 51 HG1 GLU 51 18.023 18.796 8.706 1150 H VAL 52 HN VAL 52 17.107 17.249 8.180 1151 HA VAL 52 HA VAL 52 14.493 18.189 7.560 1152 HB VAL 52 HB VAL 52 16.385 16.368 6.042 1153 1HG1 VAL 52 HG11 VAL 52 13.673 17.469 5.302 1154 2HG1 VAL 52 HG13 VAL 52 14.880 17.128 4.060 1155 3HG1 VAL 52 HG12 VAL 52 14.289 15.828 5.096 1156 1HG2 VAL 52 HG21 VAL 52 16.921 18.857 6.541 1157 2HG2 VAL 52 HG23 VAL 52 17.013 18.327 4.861 1158 3HG2 VAL 52 HG22 VAL 52 15.604 19.225 5.424 1159 H VAL 53 HN VAL 53 15.726 14.901 8.179 1160 HA VAL 53 HA VAL 53 13.310 13.503 7.585 1161 HB VAL 53 HB VAL 53 15.538 12.873 9.545 1162 1HG1 VAL 53 HG11 VAL 53 13.020 11.358 8.833 1163 2HG1 VAL 53 HG13 VAL 53 14.480 10.485 9.302 1164 3HG1 VAL 53 HG12 VAL 53 13.736 11.625 10.422 1165 1HG2 VAL 53 HG23 VAL 53 16.060 12.877 7.089 1166 2HG2 VAL 53 HG22 VAL 53 16.231 11.286 7.834 1167 3HG2 VAL 53 HG21 VAL 53 14.807 11.658 6.862 1168 H ASP 54 HN ASP 54 14.440 15.058 10.587 1169 HA ASP 54 HA ASP 54 12.356 14.118 12.265 1170 1HB ASP 54 HB2 ASP 54 13.908 16.723 12.332 1171 2HB ASP 54 HB1 ASP 54 12.790 16.225 13.600 1172 H LYS 55 HN LYS 55 12.480 16.981 10.144 1173 HA LYS 55 HA LYS 55 9.990 18.115 10.936 1174 1HB LYS 55 HB2 LYS 55 11.686 19.232 9.485 1175 2HB LYS 55 HB1 LYS 55 11.238 18.147 8.170 1176 1HG LYS 55 HG2 LYS 55 8.897 18.983 8.308 1177 2HG LYS 55 HG1 LYS 55 9.397 20.113 9.565 1178 1HD LYS 55 HD2 LYS 55 10.573 20.028 6.771 1179 2HD LYS 55 HD1 LYS 55 9.317 21.149 7.288 1180 1HE LYS 55 HE2 LYS 55 10.999 21.767 9.190 1181 2HE LYS 55 HE1 LYS 55 12.200 21.026 8.131 1182 1HZ LYS 55 HZ3 LYS 55 11.388 22.503 6.340 1183 2HZ LYS 55 HZ2 LYS 55 10.389 23.281 7.476 1184 3HZ LYS 55 HZ1 LYS 55 12.079 23.341 7.645 1185 H VAL 56 HN VAL 56 10.738 15.657 8.501 1186 HA VAL 56 HA VAL 56 8.149 15.425 7.352 1187 HB VAL 56 HB VAL 56 10.401 13.429 7.707 1188 1HG1 VAL 56 HG12 VAL 56 7.777 13.189 6.228 1189 2HG1 VAL 56 HG11 VAL 56 9.193 12.239 5.779 1190 3HG1 VAL 56 HG13 VAL 56 8.484 12.061 7.385 1191 1HG2 VAL 56 HG22 VAL 56 10.813 15.453 6.301 1192 2HG2 VAL 56 HG21 VAL 56 10.863 13.962 5.367 1193 3HG2 VAL 56 HG23 VAL 56 9.441 15.002 5.294 1194 H MET 57 HN MET 57 9.567 13.817 10.189 1195 HA MET 57 HA MET 57 7.492 11.947 10.677 1196 1HB MET 57 HB2 MET 57 9.670 11.886 11.815 1197 2HB MET 57 HB1 MET 57 9.263 13.371 12.675 1198 1HG MET 57 HG2 MET 57 7.493 12.313 13.878 1199 2HG MET 57 HG1 MET 57 7.537 10.904 12.823 1200 1HE MET 57 HE1 MET 57 8.464 8.853 13.444 1201 2HE MET 57 HE3 MET 57 9.858 9.452 12.535 1202 3HE MET 57 HE2 MET 57 10.094 8.615 14.066 1203 H GLU 58 HN GLU 58 7.871 15.215 12.131 1204 HA GLU 58 HA GLU 58 5.452 15.107 13.644 1205 1HB GLU 58 HB2 GLU 58 7.122 17.370 12.552 1206 2HB GLU 58 HB1 GLU 58 5.581 17.708 13.340 1207 1HG GLU 58 HG2 GLU 58 7.503 17.812 14.923 1208 2HG GLU 58 HG1 GLU 58 6.325 16.584 15.374 1209 H THR 59 HN THR 59 6.079 16.155 10.309 1210 HA THR 59 HA THR 59 3.432 17.115 9.802 1211 HB THR 59 HB THR 59 5.442 15.899 7.889 1212 HG1 THR 59 HG1 THR 59 6.161 17.958 7.651 1213 1HG2 THR 59 HG21 THR 59 2.895 17.462 7.489 1214 2HG2 THR 59 HG23 THR 59 4.164 17.430 6.264 1215 3HG2 THR 59 HG22 THR 59 3.372 15.934 6.754 1216 H LEU 60 HN LEU 60 4.964 13.968 9.139 1217 HA LEU 60 HA LEU 60 2.534 12.743 8.181 1218 1HB LEU 60 HB2 LEU 60 4.880 11.923 7.719 1219 2HB LEU 60 HB1 LEU 60 4.955 11.381 9.392 1220 HG LEU 60 HG LEU 60 2.750 10.093 8.850 1221 1HD1 LEU 60 HD13 LEU 60 3.784 10.756 6.083 1222 2HD1 LEU 60 HD12 LEU 60 2.767 9.352 6.396 1223 3HD1 LEU 60 HD11 LEU 60 2.156 10.971 6.721 1224 1HD2 LEU 60 HD21 LEU 60 5.384 9.245 7.609 1225 2HD2 LEU 60 HD23 LEU 60 4.914 9.005 9.293 1226 3HD2 LEU 60 HD22 LEU 60 4.043 8.170 8.005 1227 H ASP 61 HN ASP 61 4.241 12.508 11.328 1228 HA ASP 61 HA ASP 61 1.996 11.035 12.508 1229 1HB ASP 61 HB2 ASP 61 4.573 12.140 13.637 1230 2HB ASP 61 HB1 ASP 61 3.371 11.328 14.636 1231 H GLU 62 HN GLU 62 0.149 12.243 12.779 1232 HA GLU 62 HA GLU 62 0.156 15.065 13.437 1233 1HB GLU 62 HB2 GLU 62 -1.735 13.916 12.274 1234 2HB GLU 62 HB1 GLU 62 -2.092 13.050 13.765 1235 1HG GLU 62 HG2 GLU 62 -3.569 14.962 13.652 1236 2HG GLU 62 HG1 GLU 62 -2.372 15.295 14.903 1237 H ASP 63 HN ASP 63 0.000 12.096 15.321 1238 HA ASP 63 HA ASP 63 -0.555 13.505 17.846 1239 1HB ASP 63 HB2 ASP 63 -0.319 11.229 18.838 1240 2HB ASP 63 HB1 ASP 63 -1.463 11.254 17.493 1241 H GLY 64 HN GLY 64 2.182 12.995 15.974 1242 1HA GLY 64 HA2 GLY 64 4.488 13.039 16.435 1243 2HA GLY 64 HA1 GLY 64 4.036 14.130 17.746 1244 H ASP 65 HN ASP 65 3.434 10.633 17.226 1245 HA ASP 65 HA ASP 65 3.894 10.077 20.019 1246 1HB ASP 65 HB2 ASP 65 3.678 8.260 17.606 1247 2HB ASP 65 HB1 ASP 65 3.867 7.661 19.254 1248 H GLY 66 HN GLY 66 5.987 10.419 17.296 1249 1HA GLY 66 HA2 GLY 66 8.364 10.627 17.452 1250 2HA GLY 66 HA1 GLY 66 8.308 9.850 19.032 1251 H GLU 67 HN GLU 67 6.438 7.844 17.405 1252 HA GLU 67 HA GLU 67 8.646 6.307 16.092 1253 1HB GLU 67 HB2 GLU 67 6.663 5.298 18.153 1254 2HB GLU 67 HB1 GLU 67 7.656 4.238 17.150 1255 1HG GLU 67 HG2 GLU 67 9.697 5.305 18.027 1256 2HG GLU 67 HG1 GLU 67 8.717 6.366 19.037 1257 H CYS 68 HN CYS 68 7.928 4.991 14.353 1258 HA CYS 68 HA CYS 68 5.179 5.657 13.368 1259 1HB CYS 68 HB2 CYS 68 6.104 4.955 11.146 1260 2HB CYS 68 HB1 CYS 68 6.919 6.358 11.840 1261 HG CYS 68 HG CYS 68 8.979 4.998 11.524 1262 H ASP 69 HN ASP 69 3.700 4.058 13.588 1263 HA ASP 69 HA ASP 69 4.608 1.255 13.902 1264 1HB ASP 69 HB2 ASP 69 2.153 0.814 14.297 1265 2HB ASP 69 HB1 ASP 69 2.894 1.910 15.461 1266 H PHE 70 HN PHE 70 2.858 -0.304 12.699 1267 HA PHE 70 HA PHE 70 3.530 -0.216 9.944 1268 1HB PHE 70 HB2 PHE 70 2.813 -2.272 11.078 1269 2HB PHE 70 HB1 PHE 70 1.196 -1.603 11.289 1270 HD1 PHE 70 HD2 PHE 70 3.647 -2.849 8.824 1271 HD2 PHE 70 HD1 PHE 70 -0.377 -1.464 9.442 1272 HE1 PHE 70 HE2 PHE 70 3.019 -3.666 6.564 1273 HE2 PHE 70 HE1 PHE 70 -1.006 -2.282 7.183 1274 HZ PHE 70 HZ PHE 70 0.693 -3.384 5.752 1275 H GLN 71 HN GLN 71 0.421 0.716 11.489 1276 HA GLN 71 HA GLN 71 -0.883 1.377 9.049 1277 1HB GLN 71 HB2 GLN 71 -2.205 3.024 10.619 1278 2HB GLN 71 HB1 GLN 71 -2.355 1.285 10.854 1279 1HG GLN 71 HG2 GLN 71 -0.686 1.344 12.636 1280 2HG GLN 71 HG1 GLN 71 -0.419 3.063 12.358 1281 1HE2 GLN 71 HE22 GLN 71 -4.263 2.533 13.548 1282 2HE2 GLN 71 HE21 GLN 71 -3.708 1.907 12.072 1283 H GLU 72 HN GLU 72 0.955 3.524 11.258 1284 HA GLU 72 HA GLU 72 0.655 5.855 9.624 1285 1HB GLU 72 HB2 GLU 72 2.805 5.072 11.606 1286 2HB GLU 72 HB1 GLU 72 2.726 6.658 10.832 1287 1HG GLU 72 HG2 GLU 72 0.564 7.100 11.791 1288 2HG GLU 72 HG1 GLU 72 0.428 5.442 12.379 1289 H PHE 73 HN PHE 73 2.990 3.214 9.608 1290 HA PHE 73 HA PHE 73 4.852 4.318 7.765 1291 1HB PHE 73 HB2 PHE 73 5.341 2.263 8.994 1292 2HB PHE 73 HB1 PHE 73 4.010 1.435 8.182 1293 HD1 PHE 73 HD1 PHE 73 7.269 3.146 7.599 1294 HD2 PHE 73 HD2 PHE 73 4.304 0.467 6.027 1295 HE1 PHE 73 HE1 PHE 73 8.782 2.582 5.722 1296 HE2 PHE 73 HE2 PHE 73 5.815 -0.096 4.140 1297 HZ PHE 73 HZ PHE 73 8.050 0.963 3.989 1298 H MET 74 HN MET 74 1.905 2.392 7.215 1299 HA MET 74 HA MET 74 2.124 2.282 4.370 1300 1HB MET 74 HB2 MET 74 0.493 0.912 5.653 1301 2HB MET 74 HB1 MET 74 -0.425 2.377 6.010 1302 1HG MET 74 HG2 MET 74 -0.973 2.726 3.718 1303 2HG MET 74 HG1 MET 74 0.238 1.566 3.174 1304 1HE MET 74 HE1 MET 74 -1.466 0.532 1.633 1305 2HE MET 74 HE3 MET 74 -0.458 -0.723 2.363 1306 3HE MET 74 HE2 MET 74 -2.189 -0.986 2.160 1307 H ALA 75 HN ALA 75 0.727 4.728 6.533 1308 HA ALA 75 HA ALA 75 -0.498 6.337 4.536 1309 1HB ALA 75 HB2 ALA 75 -0.759 6.679 7.007 1310 2HB ALA 75 HB1 ALA 75 0.886 7.314 7.057 1311 3HB ALA 75 HB3 ALA 75 -0.361 8.168 6.150 1312 H PHE 76 HN PHE 76 2.844 6.277 5.733 1313 HA PHE 76 HA PHE 76 3.790 8.544 4.298 1314 1HB PHE 76 HB2 PHE 76 5.129 7.477 6.038 1315 2HB PHE 76 HB1 PHE 76 5.232 5.996 5.085 1316 HD1 PHE 76 HD2 PHE 76 6.586 5.916 3.022 1317 HD2 PHE 76 HD1 PHE 76 6.409 9.444 5.464 1318 HE1 PHE 76 HE2 PHE 76 8.563 6.830 1.838 1319 HE2 PHE 76 HE1 PHE 76 8.389 10.358 4.288 1320 HZ PHE 76 HZ PHE 76 9.465 9.046 2.474 1321 H VAL 77 HN VAL 77 3.776 5.094 3.383 1322 HA VAL 77 HA VAL 77 4.878 5.458 0.770 1323 HB VAL 77 HB VAL 77 3.016 3.357 1.918 1324 1HG1 VAL 77 HG12 VAL 77 4.386 3.510 -0.775 1325 2HG1 VAL 77 HG11 VAL 77 3.823 1.992 -0.076 1326 3HG1 VAL 77 HG13 VAL 77 2.670 3.275 -0.445 1327 1HG2 VAL 77 HG22 VAL 77 5.447 3.690 2.763 1328 2HG2 VAL 77 HG21 VAL 77 4.970 2.068 2.262 1329 3HG2 VAL 77 HG23 VAL 77 5.935 3.073 1.181 1330 H SER 78 HN SER 78 1.502 5.308 1.912 1331 HA SER 78 HA SER 78 0.276 5.672 -0.636 1332 1HB SER 78 HB2 SER 78 -0.718 6.514 2.100 1333 2HB SER 78 HB1 SER 78 -1.709 6.397 0.648 1334 HG SER 78 HG SER 78 -1.894 4.360 1.110 1335 H MET 79 HN MET 79 1.284 8.058 1.824 1336 HA MET 79 HA MET 79 0.313 10.368 0.461 1337 1HB MET 79 HB2 MET 79 1.131 10.366 2.819 1338 2HB MET 79 HB1 MET 79 2.781 10.176 2.223 1339 1HG MET 79 HG2 MET 79 2.630 12.308 1.026 1340 2HG MET 79 HG1 MET 79 0.938 12.484 1.497 1341 1HE MET 79 HE3 MET 79 4.643 12.635 2.509 1342 2HE MET 79 HE2 MET 79 3.936 14.183 2.049 1343 3HE MET 79 HE1 MET 79 4.526 13.944 3.691 1344 H VAL 80 HN VAL 80 3.546 8.850 0.385 1345 HA VAL 80 HA VAL 80 4.586 10.648 -1.612 1346 HB VAL 80 HB VAL 80 5.449 7.877 -0.733 1347 1HG1 VAL 80 HG12 VAL 80 6.685 9.830 -2.673 1348 2HG1 VAL 80 HG11 VAL 80 7.653 8.618 -1.836 1349 3HG1 VAL 80 HG13 VAL 80 6.354 8.116 -2.921 1350 1HG2 VAL 80 HG23 VAL 80 5.563 9.804 0.909 1351 2HG2 VAL 80 HG22 VAL 80 7.115 9.044 0.557 1352 3HG2 VAL 80 HG21 VAL 80 6.698 10.585 -0.193 1353 H THR 81 HN THR 81 3.083 7.419 -1.774 1354 HA THR 81 HA THR 81 3.454 7.017 -4.578 1355 HB THR 81 HB THR 81 1.200 6.032 -2.800 1356 HG1 THR 81 HG1 THR 81 3.394 5.503 -2.174 1357 1HG2 THR 81 HG22 THR 81 2.228 5.134 -5.506 1358 2HG2 THR 81 HG21 THR 81 1.142 4.172 -4.501 1359 3HG2 THR 81 HG23 THR 81 0.617 5.738 -5.122 1360 H THR 82 HN THR 82 0.864 8.600 -2.731 1361 HA THR 82 HA THR 82 -0.840 9.096 -5.001 1362 HB THR 82 HB THR 82 -0.682 10.599 -2.375 1363 HG1 THR 82 HG1 THR 82 -2.538 8.603 -3.041 1364 1HG2 THR 82 HG21 THR 82 -2.734 10.455 -4.585 1365 2HG2 THR 82 HG23 THR 82 -3.151 10.974 -2.954 1366 3HG2 THR 82 HG22 THR 82 -1.977 11.892 -3.897 1367 H ALA 83 HN ALA 83 1.598 11.125 -3.346 1368 HA ALA 83 HA ALA 83 1.153 13.479 -4.889 1369 1HB ALA 83 HB2 ALA 83 2.593 13.261 -2.794 1370 2HB ALA 83 HB1 ALA 83 3.849 12.606 -3.846 1371 3HB ALA 83 HB3 ALA 83 3.265 14.250 -4.093 1372 H CYS 84 HN CYS 84 3.481 10.812 -5.398 1373 HA CYS 84 HA CYS 84 4.290 11.931 -7.983 1374 1HB CYS 84 HB2 CYS 84 5.680 9.925 -8.174 1375 2HB CYS 84 HB1 CYS 84 5.882 10.644 -6.577 1376 HG CYS 84 HG CYS 84 5.433 8.182 -6.039 1377 H HIS 85 HN HIS 85 2.709 11.885 -9.516 1378 HA HIS 85 HA HIS 85 0.601 9.979 -9.652 1379 1HB HIS 85 HB2 HIS 85 0.696 12.240 -10.791 1380 2HB HIS 85 HB1 HIS 85 1.747 11.508 -12.000 1381 HD1 HIS 85 HD1 HIS 85 -1.700 12.216 -11.439 1382 HD2 HIS 85 HD2 HIS 85 0.347 8.975 -13.086 1383 HE1 HIS 85 HE1 HIS 85 -3.390 10.933 -12.834 1384 HE2 HIS 85 HE2 HIS 85 -2.143 8.963 -13.842 1385 H GLU 86 HN GLU 86 3.794 10.033 -11.225 1386 HA GLU 86 HA GLU 86 3.645 7.114 -11.600 1387 1HB GLU 86 HB2 GLU 86 3.325 9.064 -13.816 1388 2HB GLU 86 HB1 GLU 86 4.573 7.858 -14.119 1389 1HG GLU 86 HG2 GLU 86 1.791 7.100 -13.191 1390 2HG GLU 86 HG1 GLU 86 2.202 7.262 -14.896 1391 H PHE 87 HN PHE 87 5.627 9.607 -13.170 1392 HA PHE 87 HA PHE 87 7.920 10.027 -13.065 1393 1HB PHE 87 HB2 PHE 87 6.932 10.150 -10.494 1394 2HB PHE 87 HB1 PHE 87 8.217 8.963 -10.296 1395 HD1 PHE 87 HD2 PHE 87 10.567 9.581 -11.127 1396 HD2 PHE 87 HD1 PHE 87 7.411 12.459 -10.699 1397 HE1 PHE 87 HE2 PHE 87 12.238 11.407 -11.128 1398 HE2 PHE 87 HE1 PHE 87 9.083 14.295 -10.702 1399 HZ PHE 87 HZ PHE 87 11.497 13.771 -10.916 1400 H PHE 88 HN PHE 88 6.801 7.211 -13.619 1401 HA PHE 88 HA PHE 88 9.063 5.506 -12.794 1402 1HB PHE 88 HB2 PHE 88 7.779 3.683 -13.495 1403 2HB PHE 88 HB1 PHE 88 6.528 4.826 -13.014 1404 HD1 PHE 88 HD2 PHE 88 6.339 6.699 -15.235 1405 HD2 PHE 88 HD1 PHE 88 7.006 2.458 -15.333 1406 HE1 PHE 88 HE2 PHE 88 5.413 6.610 -17.525 1407 HE2 PHE 88 HE1 PHE 88 6.092 2.369 -17.632 1408 HZ PHE 88 HZ PHE 88 5.286 4.445 -18.726 1409 H GLU 89 HN GLU 89 10.650 4.765 -14.162 1410 HA GLU 89 HA GLU 89 12.231 5.009 -15.849 1411 1HB GLU 89 HB2 GLU 89 11.447 4.343 -18.053 1412 2HB GLU 89 HB1 GLU 89 10.690 3.353 -16.813 1413 1HG GLU 89 HG2 GLU 89 8.618 4.524 -17.021 1414 2HG GLU 89 HG1 GLU 89 9.341 5.795 -18.002 1415 H HIS 90 HN HIS 90 12.797 6.147 -17.945 1416 HA HIS 90 HA HIS 90 12.459 9.004 -17.537 1417 1HB HIS 90 HB2 HIS 90 13.818 8.961 -19.810 1418 2HB HIS 90 HB1 HIS 90 14.597 8.478 -18.305 1419 HD1 HIS 90 HD1 HIS 90 16.103 6.607 -18.986 1420 HD2 HIS 90 HD2 HIS 90 12.280 6.143 -20.578 1421 HE1 HIS 90 HE1 HIS 90 16.061 4.334 -20.109 1422 HE2 HIS 90 HE2 HIS 90 13.727 4.032 -21.043 1423 H GLU 91 HN GLU 91 11.670 10.474 -19.236 1424 HA GLU 91 HA GLU 91 10.016 9.323 -21.379 1425 1HB GLU 91 HB2 GLU 91 8.819 10.841 -19.048 1426 2HB GLU 91 HB1 GLU 91 8.013 10.722 -20.611 1427 1HG GLU 91 HG2 GLU 91 8.195 8.210 -20.415 1428 2HG GLU 91 HG1 GLU 91 8.780 8.445 -18.768 No H/Q in entry = 1428 Start of MODEL 8 1 1H MET 0 HT2 MET 0 16.615 -5.558 -6.285 2 2H MET 0 HT1 MET 0 17.973 -5.418 -7.297 3 3H MET 0 HT3 MET 0 18.052 -6.381 -5.903 4 HA MET 0 HA MET 0 19.131 -4.500 -5.189 5 1HB MET 0 HB2 MET 0 18.639 -3.248 -7.303 6 2HB MET 0 HB1 MET 0 17.037 -2.875 -6.670 7 1HG MET 0 HG2 MET 0 18.513 -0.987 -6.242 8 2HG MET 0 HG1 MET 0 18.120 -1.759 -4.708 9 1HE MET 0 HE1 MET 0 19.997 0.060 -4.483 10 2HE MET 0 HE3 MET 0 20.381 -1.078 -3.184 11 3HE MET 0 HE2 MET 0 21.664 -0.442 -4.210 12 H SER 1 HN SER 1 15.738 -3.419 -5.440 13 HA SER 1 HA SER 1 15.464 -3.833 -2.473 14 1HB SER 1 HB2 SER 1 15.593 -1.457 -2.890 15 2HB SER 1 HB1 SER 1 14.454 -1.577 -4.225 16 HG SER 1 HG SER 1 13.463 -2.663 -1.946 17 H GLU 2 HN GLU 2 13.971 -5.372 -2.092 18 HA GLU 2 HA GLU 2 12.166 -6.342 -4.118 19 1HB GLU 2 HB2 GLU 2 12.175 -6.769 -1.110 20 2HB GLU 2 HB1 GLU 2 11.185 -7.677 -2.252 21 1HG GLU 2 HG2 GLU 2 14.216 -7.545 -2.325 22 2HG GLU 2 HG1 GLU 2 13.284 -8.882 -1.651 23 H LEU 3 HN LEU 3 11.813 -4.129 -1.378 24 HA LEU 3 HA LEU 3 8.983 -3.861 -1.448 25 1HB LEU 3 HB2 LEU 3 10.733 -2.908 0.246 26 2HB LEU 3 HB1 LEU 3 10.841 -1.548 -0.866 27 HG LEU 3 HG LEU 3 8.201 -1.566 -0.709 28 1HD1 LEU 3 HD11 LEU 3 9.047 -3.036 1.808 29 2HD1 LEU 3 HD13 LEU 3 7.503 -2.207 1.636 30 3HD1 LEU 3 HD12 LEU 3 7.889 -3.571 0.591 31 1HD2 LEU 3 HD21 LEU 3 10.134 -0.525 1.369 32 2HD2 LEU 3 HD23 LEU 3 9.374 0.353 0.044 33 3HD2 LEU 3 HD22 LEU 3 8.413 -0.144 1.436 34 H GLU 4 HN GLU 4 11.539 -2.098 -3.207 35 HA GLU 4 HA GLU 4 9.799 -0.274 -4.558 36 1HB GLU 4 HB2 GLU 4 12.244 0.035 -4.430 37 2HB GLU 4 HB1 GLU 4 12.474 -1.382 -5.454 38 1HG GLU 4 HG2 GLU 4 11.272 -0.286 -7.290 39 2HG GLU 4 HG1 GLU 4 10.955 1.116 -6.266 40 H LYS 5 HN LYS 5 10.955 -3.528 -5.452 41 HA LYS 5 HA LYS 5 9.899 -3.550 -8.097 42 1HB LYS 5 HB2 LYS 5 11.425 -5.298 -7.231 43 2HB LYS 5 HB1 LYS 5 10.151 -5.871 -6.154 44 1HG LYS 5 HG2 LYS 5 8.721 -6.371 -8.113 45 2HG LYS 5 HG1 LYS 5 10.001 -5.807 -9.186 46 1HD LYS 5 HD2 LYS 5 10.239 -8.119 -7.238 47 2HD LYS 5 HD1 LYS 5 9.996 -8.275 -8.976 48 1HE LYS 5 HE2 LYS 5 12.307 -8.477 -8.873 49 2HE LYS 5 HE1 LYS 5 12.174 -6.729 -9.068 50 1HZ LYS 5 HZ2 LYS 5 11.923 -7.119 -6.385 51 2HZ LYS 5 HZ1 LYS 5 13.110 -8.249 -6.832 52 3HZ LYS 5 HZ3 LYS 5 13.329 -6.606 -7.189 53 H ALA 6 HN ALA 6 8.426 -4.374 -4.975 54 HA ALA 6 HA ALA 6 5.924 -5.285 -6.006 55 1HB ALA 6 HB1 ALA 6 6.816 -4.111 -3.376 56 2HB ALA 6 HB3 ALA 6 5.110 -4.447 -3.665 57 3HB ALA 6 HB2 ALA 6 6.288 -5.757 -3.728 58 H MET 7 HN MET 7 7.089 -2.041 -5.133 59 HA MET 7 HA MET 7 4.625 -0.654 -5.441 60 1HB MET 7 HB2 MET 7 7.470 0.262 -5.957 61 2HB MET 7 HB1 MET 7 6.077 1.342 -5.873 62 1HG MET 7 HG2 MET 7 6.818 -0.562 -3.643 63 2HG MET 7 HG1 MET 7 7.393 1.102 -3.707 64 1HE MET 7 HE1 MET 7 6.167 3.046 -3.823 65 2HE MET 7 HE3 MET 7 4.661 2.877 -4.734 66 3HE MET 7 HE2 MET 7 4.623 3.345 -3.039 67 H VAL 8 HN VAL 8 7.105 -1.534 -7.837 68 HA VAL 8 HA VAL 8 5.880 -0.128 -10.030 69 HB VAL 8 HB VAL 8 7.788 -2.478 -9.921 70 1HG1 VAL 8 HG13 VAL 8 6.634 -0.970 -12.274 71 2HG1 VAL 8 HG12 VAL 8 8.185 -1.803 -12.376 72 3HG1 VAL 8 HG11 VAL 8 6.715 -2.715 -12.030 73 1HG2 VAL 8 HG23 VAL 8 8.561 -0.224 -9.119 74 2HG2 VAL 8 HG22 VAL 8 9.449 -0.812 -10.524 75 3HG2 VAL 8 HG21 VAL 8 8.199 0.416 -10.722 76 H ALA 9 HN ALA 9 5.572 -3.454 -8.814 77 HA ALA 9 HA ALA 9 3.954 -4.441 -10.947 78 1HB ALA 9 HB3 ALA 9 4.046 -5.265 -8.032 79 2HB ALA 9 HB2 ALA 9 3.261 -6.188 -9.313 80 3HB ALA 9 HB1 ALA 9 5.007 -5.947 -9.344 81 H LEU 10 HN LEU 10 3.046 -2.848 -7.883 82 HA LEU 10 HA LEU 10 0.230 -3.193 -8.156 83 1HB LEU 10 HB2 LEU 10 2.015 -1.300 -6.665 84 2HB LEU 10 HB1 LEU 10 0.322 -0.841 -6.820 85 HG LEU 10 HG LEU 10 -0.286 -3.127 -5.911 86 1HD1 LEU 10 HD11 LEU 10 2.001 -4.115 -6.445 87 2HD1 LEU 10 HD13 LEU 10 2.618 -3.203 -5.068 88 3HD1 LEU 10 HD12 LEU 10 1.397 -4.449 -4.825 89 1HD2 LEU 10 HD22 LEU 10 1.381 -1.248 -4.220 90 2HD2 LEU 10 HD21 LEU 10 -0.363 -1.178 -4.472 91 3HD2 LEU 10 HD23 LEU 10 0.344 -2.514 -3.563 92 H ILE 11 HN ILE 11 2.343 -0.547 -9.263 93 HA ILE 11 HA ILE 11 0.242 0.993 -10.460 94 HB ILE 11 HB ILE 11 3.205 0.840 -11.098 95 1HG1 ILE 11 HG12 ILE 11 1.697 2.960 -9.551 96 2HG1 ILE 11 HG11 ILE 11 2.436 1.566 -8.763 97 1HG2 ILE 11 HG21 ILE 11 1.049 2.782 -11.962 98 2HG2 ILE 11 HG23 ILE 11 2.773 3.136 -12.075 99 3HG2 ILE 11 HG22 ILE 11 2.086 1.799 -12.995 100 1HD1 ILE 11 HD11 ILE 11 4.027 3.327 -10.631 101 2HD1 ILE 11 HD13 ILE 11 3.847 3.730 -8.923 102 3HD1 ILE 11 HD12 ILE 11 4.620 2.218 -9.395 103 H ASP 12 HN ASP 12 2.412 -1.517 -11.727 104 HA ASP 12 HA ASP 12 1.623 -1.335 -14.456 105 1HB ASP 12 HB2 ASP 12 3.619 -2.561 -13.672 106 2HB ASP 12 HB1 ASP 12 2.575 -3.769 -12.923 107 H VAL 13 HN VAL 13 0.412 -3.534 -11.898 108 HA VAL 13 HA VAL 13 -1.477 -4.880 -13.544 109 HB VAL 13 HB VAL 13 -1.443 -4.346 -10.561 110 1HG1 VAL 13 HG11 VAL 13 -3.334 -5.974 -12.263 111 2HG1 VAL 13 HG13 VAL 13 -3.053 -6.370 -10.567 112 3HG1 VAL 13 HG12 VAL 13 -3.724 -4.801 -11.006 113 1HG2 VAL 13 HG21 VAL 13 0.367 -5.764 -11.688 114 2HG2 VAL 13 HG23 VAL 13 -0.533 -6.552 -10.391 115 3HG2 VAL 13 HG22 VAL 13 -0.913 -6.915 -12.075 116 H PHE 14 HN PHE 14 -1.821 -1.942 -11.578 117 HA PHE 14 HA PHE 14 -4.615 -1.586 -11.865 118 1HB PHE 14 HB2 PHE 14 -3.259 -0.293 -10.301 119 2HB PHE 14 HB1 PHE 14 -2.404 0.470 -11.640 120 HD1 PHE 14 HD1 PHE 14 -3.674 1.957 -13.237 121 HD2 PHE 14 HD2 PHE 14 -5.385 0.513 -9.571 122 HE1 PHE 14 HE1 PHE 14 -5.406 3.729 -13.348 123 HE2 PHE 14 HE2 PHE 14 -7.118 2.282 -9.684 124 HZ PHE 14 HZ PHE 14 -7.130 3.890 -11.572 125 H HIS 15 HN HIS 15 -2.014 -0.119 -13.863 126 HA HIS 15 HA HIS 15 -3.977 0.976 -15.727 127 1HB HIS 15 HB2 HIS 15 -1.870 2.153 -15.204 128 2HB HIS 15 HB1 HIS 15 -0.964 0.839 -15.957 129 HD1 HIS 15 HD1 HIS 15 -0.166 1.767 -18.151 130 HD2 HIS 15 HD2 HIS 15 -4.167 2.709 -17.431 131 HE1 HIS 15 HE1 HIS 15 -1.031 2.894 -20.253 132 HE2 HIS 15 HE2 HIS 15 -3.464 3.468 -19.824 133 H GLN 16 HN GLN 16 -1.731 -1.773 -15.797 134 HA GLN 16 HA GLN 16 -1.835 -2.299 -18.564 135 1HB GLN 16 HB2 GLN 16 -0.257 -3.389 -17.041 136 2HB GLN 16 HB1 GLN 16 -1.582 -4.274 -16.285 137 1HG GLN 16 HG2 GLN 16 -2.054 -5.447 -18.369 138 2HG GLN 16 HG1 GLN 16 -0.856 -4.473 -19.224 139 1HE2 GLN 16 HE22 GLN 16 1.163 -7.365 -18.535 140 2HE2 GLN 16 HE21 GLN 16 0.123 -6.694 -19.696 141 H TYR 17 HN TYR 17 -3.868 -3.913 -16.068 142 HA TYR 17 HA TYR 17 -5.416 -5.194 -18.174 143 1HB TYR 17 HB2 TYR 17 -5.030 -6.445 -16.170 144 2HB TYR 17 HB1 TYR 17 -5.685 -5.158 -15.169 145 HD1 TYR 17 HD2 TYR 17 -7.177 -6.486 -18.370 146 HD2 TYR 17 HD1 TYR 17 -7.454 -6.273 -14.082 147 HE1 TYR 17 HE2 TYR 17 -9.410 -7.522 -18.462 148 HE2 TYR 17 HE1 TYR 17 -9.693 -7.328 -14.186 149 HH TYR 17 HH TYR 17 -11.327 -7.882 -17.240 150 H SER 18 HN SER 18 -5.780 -2.248 -16.388 151 HA SER 18 HA SER 18 -8.626 -2.039 -16.468 152 1HB SER 18 HB2 SER 18 -7.204 -0.623 -15.056 153 2HB SER 18 HB1 SER 18 -6.568 0.174 -16.493 154 HG SER 18 HG SER 18 -9.244 0.138 -15.548 155 H GLY 19 HN GLY 19 -6.217 -0.782 -18.829 156 1HA GLY 19 HA2 GLY 19 -8.345 0.379 -20.461 157 2HA GLY 19 HA1 GLY 19 -6.637 0.328 -20.878 158 H ARG 20 HN ARG 20 -7.082 -2.811 -20.271 159 HA ARG 20 HA ARG 20 -7.141 -3.552 -23.019 160 1HB ARG 20 HB2 ARG 20 -7.879 -5.242 -20.611 161 2HB ARG 20 HB1 ARG 20 -7.484 -5.863 -22.212 162 1HG ARG 20 HG2 ARG 20 -5.552 -4.088 -20.723 163 2HG ARG 20 HG1 ARG 20 -5.611 -5.819 -20.413 164 1HD ARG 20 HD2 ARG 20 -5.187 -6.271 -22.805 165 2HD ARG 20 HD1 ARG 20 -5.106 -4.538 -23.117 166 HE ARG 20 HE ARG 20 -3.235 -4.865 -21.142 167 1HH1 ARG 20 HH21 ARG 20 -3.911 -6.420 -24.145 168 2HH1 ARG 20 HH22 ARG 20 -2.251 -6.784 -24.481 169 1HH2 ARG 20 HH11 ARG 20 -1.067 -5.325 -21.563 170 2HH2 ARG 20 HH12 ARG 20 -0.639 -6.164 -23.017 171 H GLU 21 HN GLU 21 -9.769 -3.783 -20.589 172 HA GLU 21 HA GLU 21 -11.799 -3.118 -22.530 173 1HB GLU 21 HB2 GLU 21 -11.280 -5.394 -23.340 174 2HB GLU 21 HB1 GLU 21 -11.574 -6.038 -21.726 175 1HG GLU 21 HG2 GLU 21 -13.908 -5.342 -21.827 176 2HG GLU 21 HG1 GLU 21 -13.638 -4.560 -23.386 177 H GLY 22 HN GLY 22 -10.776 -4.128 -19.397 178 1HA GLY 22 HA2 GLY 22 -13.246 -4.471 -18.061 179 2HA GLY 22 HA1 GLY 22 -11.781 -3.858 -17.293 180 H ASP 23 HN ASP 23 -11.375 -1.442 -18.517 181 HA ASP 23 HA ASP 23 -13.847 0.089 -18.695 182 1HB ASP 23 HB2 ASP 23 -13.705 -0.183 -16.260 183 2HB ASP 23 HB1 ASP 23 -12.061 0.440 -16.283 184 H LYS 24 HN LYS 24 -13.285 2.508 -18.901 185 HA LYS 24 HA LYS 24 -10.940 2.716 -20.663 186 1HB LYS 24 HB2 LYS 24 -13.205 3.748 -21.131 187 2HB LYS 24 HB1 LYS 24 -12.847 4.919 -19.862 188 1HG LYS 24 HG2 LYS 24 -10.675 5.409 -21.112 189 2HG LYS 24 HG1 LYS 24 -11.340 4.472 -22.446 190 1HD LYS 24 HD2 LYS 24 -12.779 6.831 -21.201 191 2HD LYS 24 HD1 LYS 24 -11.722 6.975 -22.602 192 1HE LYS 24 HE2 LYS 24 -14.270 5.344 -22.408 193 2HE LYS 24 HE1 LYS 24 -13.989 6.766 -23.406 194 1HZ LYS 24 HZ3 LYS 24 -11.971 5.015 -24.042 195 2HZ LYS 24 HZ2 LYS 24 -13.367 4.052 -23.946 196 3HZ LYS 24 HZ1 LYS 24 -13.326 5.393 -24.989 197 H HIS 25 HN HIS 25 -9.081 2.774 -19.463 198 HA HIS 25 HA HIS 25 -7.519 3.493 -17.849 199 1HB HIS 25 HB2 HIS 25 -7.585 5.175 -19.770 200 2HB HIS 25 HB1 HIS 25 -8.523 6.211 -18.696 201 HD1 HIS 25 HD1 HIS 25 -5.641 4.010 -17.607 202 HD2 HIS 25 HD2 HIS 25 -6.496 8.063 -18.097 203 HE1 HIS 25 HE1 HIS 25 -3.684 5.281 -16.617 204 HE2 HIS 25 HE2 HIS 25 -4.194 7.749 -16.912 205 H LYS 26 HN LYS 26 -10.322 3.183 -16.717 206 HA LYS 26 HA LYS 26 -9.778 4.741 -14.245 207 1HB LYS 26 HB2 LYS 26 -12.405 4.879 -15.757 208 2HB LYS 26 HB1 LYS 26 -12.204 5.396 -14.085 209 1HG LYS 26 HG2 LYS 26 -10.479 7.020 -14.791 210 2HG LYS 26 HG1 LYS 26 -10.694 6.509 -16.467 211 1HD LYS 26 HD2 LYS 26 -13.060 7.200 -16.385 212 2HD LYS 26 HD1 LYS 26 -12.854 7.710 -14.711 213 1HE LYS 26 HE2 LYS 26 -10.964 9.227 -15.589 214 2HE LYS 26 HE1 LYS 26 -11.628 8.913 -17.193 215 1HZ LYS 26 HZ1 LYS 26 -13.265 9.903 -14.930 216 2HZ LYS 26 HZ3 LYS 26 -12.507 10.936 -16.042 217 3HZ LYS 26 HZ2 LYS 26 -13.693 9.840 -16.574 218 H LEU 27 HN LEU 27 -11.065 3.868 -12.389 219 HA LEU 27 HA LEU 27 -11.616 0.949 -12.792 220 1HB LEU 27 HB2 LEU 27 -10.669 2.605 -10.467 221 2HB LEU 27 HB1 LEU 27 -11.492 1.083 -10.150 222 HG LEU 27 HG LEU 27 -8.949 0.974 -10.304 223 1HD1 LEU 27 HD12 LEU 27 -10.858 -0.905 -11.072 224 2HD1 LEU 27 HD11 LEU 27 -9.749 -0.887 -12.439 225 3HD1 LEU 27 HD13 LEU 27 -9.146 -1.215 -10.817 226 1HD2 LEU 27 HD21 LEU 27 -8.962 2.557 -12.345 227 2HD2 LEU 27 HD23 LEU 27 -7.858 1.185 -12.391 228 3HD2 LEU 27 HD22 LEU 27 -9.367 1.125 -13.292 229 H LYS 28 HN LYS 28 -13.643 0.214 -12.586 230 HA LYS 28 HA LYS 28 -15.714 1.937 -11.258 231 1HB LYS 28 HB2 LYS 28 -16.044 0.173 -13.710 232 2HB LYS 28 HB1 LYS 28 -17.345 1.036 -12.896 233 1HG LYS 28 HG2 LYS 28 -14.918 2.358 -14.149 234 2HG LYS 28 HG1 LYS 28 -16.502 2.239 -14.911 235 1HD LYS 28 HD2 LYS 28 -17.341 3.373 -12.669 236 2HD LYS 28 HD1 LYS 28 -15.658 3.885 -12.533 237 1HE LYS 28 HE2 LYS 28 -15.973 4.662 -15.027 238 2HE LYS 28 HE1 LYS 28 -17.691 4.608 -14.633 239 1HZ LYS 28 HZ3 LYS 28 -15.800 5.997 -12.852 240 2HZ LYS 28 HZ2 LYS 28 -16.384 6.770 -14.247 241 3HZ LYS 28 HZ1 LYS 28 -17.465 6.248 -13.047 242 H LYS 29 HN LYS 29 -17.514 0.616 -10.353 243 HA LYS 29 HA LYS 29 -16.665 -1.437 -8.660 244 1HB LYS 29 HB2 LYS 29 -19.053 -2.027 -8.416 245 2HB LYS 29 HB1 LYS 29 -18.815 -0.283 -8.400 246 1HG LYS 29 HG2 LYS 29 -20.463 -0.242 -9.995 247 2HG LYS 29 HG1 LYS 29 -19.190 -0.738 -11.105 248 1HD LYS 29 HD2 LYS 29 -19.810 -3.165 -10.365 249 2HD LYS 29 HD1 LYS 29 -21.297 -2.434 -9.764 250 1HE LYS 29 HE2 LYS 29 -20.278 -2.173 -12.610 251 2HE LYS 29 HE1 LYS 29 -21.542 -3.288 -12.092 252 1HZ LYS 29 HZ2 LYS 29 -22.617 -1.164 -11.134 253 2HZ LYS 29 HZ1 LYS 29 -21.601 -0.348 -12.225 254 3HZ LYS 29 HZ3 LYS 29 -22.736 -1.469 -12.801 255 H SER 30 HN SER 30 -17.472 -1.664 -12.052 256 HA SER 30 HA SER 30 -18.018 -4.474 -12.160 257 1HB SER 30 HB2 SER 30 -17.752 -4.279 -14.517 258 2HB SER 30 HB1 SER 30 -18.393 -2.725 -13.989 259 HG SER 30 HG SER 30 -15.785 -3.430 -14.782 260 H GLU 31 HN GLU 31 -14.932 -2.681 -12.483 261 HA GLU 31 HA GLU 31 -13.379 -5.033 -13.075 262 1HB GLU 31 HB2 GLU 31 -12.637 -2.284 -12.073 263 2HB GLU 31 HB1 GLU 31 -11.425 -3.549 -12.268 264 1HG GLU 31 HG2 GLU 31 -12.154 -3.818 -14.648 265 2HG GLU 31 HG1 GLU 31 -13.242 -2.446 -14.430 266 H LEU 32 HN LEU 32 -14.263 -3.462 -10.019 267 HA LEU 32 HA LEU 32 -12.446 -4.883 -8.353 268 1HB LEU 32 HB2 LEU 32 -15.169 -3.663 -7.897 269 2HB LEU 32 HB1 LEU 32 -14.369 -4.555 -6.604 270 HG LEU 32 HG LEU 32 -12.379 -3.074 -6.856 271 1HD1 LEU 32 HD13 LEU 32 -14.170 -1.806 -8.936 272 2HD1 LEU 32 HD12 LEU 32 -12.862 -0.907 -8.164 273 3HD1 LEU 32 HD11 LEU 32 -12.501 -2.348 -9.114 274 1HD2 LEU 32 HD23 LEU 32 -15.067 -1.761 -6.352 275 2HD2 LEU 32 HD22 LEU 32 -13.997 -2.491 -5.155 276 3HD2 LEU 32 HD21 LEU 32 -13.524 -0.998 -5.966 277 H LYS 33 HN LYS 33 -15.697 -5.774 -9.523 278 HA LYS 33 HA LYS 33 -15.926 -8.200 -8.047 279 1HB LYS 33 HB2 LYS 33 -17.789 -7.165 -9.333 280 2HB LYS 33 HB1 LYS 33 -16.974 -7.606 -10.834 281 1HG LYS 33 HG2 LYS 33 -17.092 -9.994 -10.196 282 2HG LYS 33 HG1 LYS 33 -17.911 -9.548 -8.699 283 1HD LYS 33 HD2 LYS 33 -19.755 -8.553 -10.000 284 2HD LYS 33 HD1 LYS 33 -18.938 -8.997 -11.499 285 1HE LYS 33 HE2 LYS 33 -19.015 -11.393 -10.765 286 2HE LYS 33 HE1 LYS 33 -19.978 -10.893 -9.375 287 1HZ LYS 33 HZ2 LYS 33 -21.060 -9.777 -11.723 288 2HZ LYS 33 HZ1 LYS 33 -20.868 -11.450 -11.946 289 3HZ LYS 33 HZ3 LYS 33 -21.777 -10.870 -10.638 290 H GLU 34 HN GLU 34 -14.438 -7.512 -11.216 291 HA GLU 34 HA GLU 34 -13.764 -10.248 -11.780 292 1HB GLU 34 HB2 GLU 34 -13.268 -7.617 -12.964 293 2HB GLU 34 HB1 GLU 34 -11.830 -8.626 -13.076 294 1HG GLU 34 HG2 GLU 34 -14.597 -9.508 -13.957 295 2HG GLU 34 HG1 GLU 34 -13.366 -8.862 -15.044 296 H LEU 35 HN LEU 35 -11.776 -7.579 -10.455 297 HA LEU 35 HA LEU 35 -9.443 -9.145 -9.999 298 1HB LEU 35 HB2 LEU 35 -10.526 -6.710 -8.559 299 2HB LEU 35 HB1 LEU 35 -8.931 -7.384 -8.244 300 HG LEU 35 HG LEU 35 -9.836 -6.560 -11.017 301 1HD1 LEU 35 HD11 LEU 35 -8.314 -4.940 -8.951 302 2HD1 LEU 35 HD13 LEU 35 -8.571 -4.461 -10.630 303 3HD1 LEU 35 HD12 LEU 35 -9.945 -4.606 -9.531 304 1HD2 LEU 35 HD23 LEU 35 -7.185 -7.285 -9.742 305 2HD2 LEU 35 HD22 LEU 35 -7.914 -7.943 -11.205 306 3HD2 LEU 35 HD21 LEU 35 -7.250 -6.315 -11.211 307 H ILE 36 HN ILE 36 -12.170 -8.393 -7.847 308 HA ILE 36 HA ILE 36 -11.225 -9.865 -5.597 309 HB ILE 36 HB ILE 36 -14.033 -9.141 -6.471 310 1HG1 ILE 36 HG12 ILE 36 -12.279 -7.976 -4.286 311 2HG1 ILE 36 HG11 ILE 36 -12.348 -7.311 -5.915 312 1HG2 ILE 36 HG21 ILE 36 -12.986 -10.508 -3.989 313 2HG2 ILE 36 HG23 ILE 36 -14.446 -9.519 -3.920 314 3HG2 ILE 36 HG22 ILE 36 -14.387 -10.929 -4.975 315 1HD1 ILE 36 HD13 ILE 36 -14.914 -7.211 -5.555 316 2HD1 ILE 36 HD12 ILE 36 -14.540 -7.434 -3.846 317 3HD1 ILE 36 HD11 ILE 36 -13.923 -6.026 -4.706 318 H ASN 37 HN ASN 37 -13.210 -10.830 -8.378 319 HA ASN 37 HA ASN 37 -13.704 -13.490 -7.334 320 1HB ASN 37 HB2 ASN 37 -15.225 -12.419 -8.945 321 2HB ASN 37 HB1 ASN 37 -13.944 -12.420 -10.157 322 1HD2 ASN 37 HD22 ASN 37 -15.910 -15.465 -10.838 323 2HD2 ASN 37 HD21 ASN 37 -16.136 -13.788 -10.958 324 H ASN 38 HN ASN 38 -11.700 -12.406 -10.125 325 HA ASN 38 HA ASN 38 -10.459 -15.034 -10.310 326 1HB ASN 38 HB2 ASN 38 -9.969 -12.422 -11.743 327 2HB ASN 38 HB1 ASN 38 -9.056 -13.894 -12.083 328 1HD2 ASN 38 HD22 ASN 38 -12.088 -13.715 -14.334 329 2HD2 ASN 38 HD21 ASN 38 -10.807 -12.643 -14.027 330 H GLU 39 HN GLU 39 -8.793 -11.867 -10.005 331 HA GLU 39 HA GLU 39 -6.337 -12.984 -9.190 332 1HB GLU 39 HB2 GLU 39 -6.794 -10.600 -9.953 333 2HB GLU 39 HB1 GLU 39 -7.321 -10.267 -8.305 334 1HG GLU 39 HG2 GLU 39 -5.144 -10.917 -7.428 335 2HG GLU 39 HG1 GLU 39 -4.610 -11.410 -9.034 336 H LEU 40 HN LEU 40 -7.982 -10.926 -6.793 337 HA LEU 40 HA LEU 40 -6.937 -12.584 -4.657 338 1HB LEU 40 HB2 LEU 40 -8.699 -10.162 -4.821 339 2HB LEU 40 HB1 LEU 40 -8.734 -11.090 -3.328 340 HG LEU 40 HG LEU 40 -7.070 -9.179 -3.373 341 1HD1 LEU 40 HD13 LEU 40 -6.902 -11.426 -1.992 342 2HD1 LEU 40 HD12 LEU 40 -5.528 -11.743 -3.049 343 3HD1 LEU 40 HD11 LEU 40 -5.544 -10.307 -2.031 344 1HD2 LEU 40 HD22 LEU 40 -6.432 -9.763 -5.829 345 2HD2 LEU 40 HD21 LEU 40 -5.148 -9.257 -4.729 346 3HD2 LEU 40 HD23 LEU 40 -5.362 -10.965 -5.105 347 H SER 41 HN SER 41 -8.102 -13.985 -3.283 348 HA SER 41 HA SER 41 -10.932 -14.483 -3.676 349 1HB SER 41 HB2 SER 41 -10.384 -15.659 -5.644 350 2HB SER 41 HB1 SER 41 -8.892 -16.293 -4.958 351 HG SER 41 HG SER 41 -11.249 -17.444 -5.011 352 H HIS 42 HN HIS 42 -7.897 -15.113 -2.161 353 HA HIS 42 HA HIS 42 -8.822 -17.238 -0.422 354 1HB HIS 42 HB2 HIS 42 -6.427 -16.866 -0.975 355 2HB HIS 42 HB1 HIS 42 -6.475 -15.356 -0.063 356 HD1 HIS 42 HD1 HIS 42 -6.798 -15.534 2.535 357 HD2 HIS 42 HD2 HIS 42 -6.336 -19.208 0.614 358 HE1 HIS 42 HE1 HIS 42 -6.352 -17.242 4.354 359 HE2 HIS 42 HE2 HIS 42 -6.070 -19.483 3.195 360 H PHE 43 HN PHE 43 -8.005 -13.814 0.279 361 HA PHE 43 HA PHE 43 -9.129 -13.922 2.925 362 1HB PHE 43 HB2 PHE 43 -8.462 -11.575 1.132 363 2HB PHE 43 HB1 PHE 43 -8.894 -11.435 2.837 364 HD1 PHE 43 HD2 PHE 43 -7.547 -13.033 4.469 365 HD2 PHE 43 HD1 PHE 43 -6.195 -11.807 0.580 366 HE1 PHE 43 HE2 PHE 43 -5.212 -13.561 5.112 367 HE2 PHE 43 HE1 PHE 43 -3.862 -12.343 1.221 368 HZ PHE 43 HZ PHE 43 -3.369 -13.219 3.488 369 H LEU 44 HN LEU 44 -10.424 -12.686 -0.168 370 HA LEU 44 HA LEU 44 -13.128 -12.503 1.144 371 1HB LEU 44 HB2 LEU 44 -12.014 -10.846 -1.142 372 2HB LEU 44 HB1 LEU 44 -13.627 -10.690 -0.452 373 HG LEU 44 HG LEU 44 -11.168 -10.424 1.285 374 1HD1 LEU 44 HD13 LEU 44 -12.544 -8.234 -0.303 375 2HD1 LEU 44 HD12 LEU 44 -11.337 -7.965 0.955 376 3HD1 LEU 44 HD11 LEU 44 -10.890 -8.804 -0.530 377 1HD2 LEU 44 HD22 LEU 44 -14.030 -9.420 1.461 378 2HD2 LEU 44 HD21 LEU 44 -13.272 -10.641 2.484 379 3HD2 LEU 44 HD23 LEU 44 -12.753 -8.961 2.586 380 H GLU 45 HN GLU 45 -14.717 -13.714 0.192 381 HA GLU 45 HA GLU 45 -14.614 -14.399 -2.642 382 1HB GLU 45 HB2 GLU 45 -13.019 -16.013 -1.394 383 2HB GLU 45 HB1 GLU 45 -14.480 -16.722 -0.713 384 1HG GLU 45 HG2 GLU 45 -15.315 -17.269 -2.925 385 2HG GLU 45 HG1 GLU 45 -13.994 -16.386 -3.687 386 H GLU 46 HN GLU 46 -16.406 -13.264 -0.443 387 HA GLU 46 HA GLU 46 -18.700 -15.169 -0.586 388 1HB GLU 46 HB2 GLU 46 -18.264 -12.685 1.098 389 2HB GLU 46 HB1 GLU 46 -19.703 -13.702 1.153 390 1HG GLU 46 HG2 GLU 46 -16.888 -14.683 1.711 391 2HG GLU 46 HG1 GLU 46 -18.064 -14.255 2.954 392 H ILE 47 HN ILE 47 -17.641 -12.990 -2.663 393 HA ILE 47 HA ILE 47 -19.832 -11.124 -2.863 394 HB ILE 47 HB ILE 47 -18.062 -12.106 -5.120 395 1HG1 ILE 47 HG12 ILE 47 -16.601 -11.405 -3.319 396 2HG1 ILE 47 HG11 ILE 47 -16.633 -10.116 -4.518 397 1HG2 ILE 47 HG21 ILE 47 -19.615 -9.546 -4.643 398 2HG2 ILE 47 HG23 ILE 47 -18.492 -9.793 -5.979 399 3HG2 ILE 47 HG22 ILE 47 -19.955 -10.772 -5.865 400 1HD1 ILE 47 HD12 ILE 47 -18.568 -9.131 -3.063 401 2HD1 ILE 47 HD11 ILE 47 -17.947 -10.203 -1.810 402 3HD1 ILE 47 HD13 ILE 47 -16.908 -8.955 -2.494 403 H LYS 48 HN LYS 48 -21.800 -12.197 -2.809 404 HA LYS 48 HA LYS 48 -22.376 -14.126 -5.040 405 1HB LYS 48 HB2 LYS 48 -23.593 -13.864 -2.273 406 2HB LYS 48 HB1 LYS 48 -24.243 -14.906 -3.539 407 1HG LYS 48 HG2 LYS 48 -22.094 -16.117 -3.651 408 2HG LYS 48 HG1 LYS 48 -21.448 -15.078 -2.380 409 1HD LYS 48 HD2 LYS 48 -23.202 -15.864 -0.836 410 2HD LYS 48 HD1 LYS 48 -23.851 -16.906 -2.102 411 1HE LYS 48 HE2 LYS 48 -21.017 -17.084 -1.036 412 2HE LYS 48 HE1 LYS 48 -22.344 -18.121 -0.510 413 1HZ LYS 48 HZ3 LYS 48 -22.506 -18.312 -3.183 414 2HZ LYS 48 HZ2 LYS 48 -20.826 -18.169 -2.966 415 3HZ LYS 48 HZ1 LYS 48 -21.684 -19.416 -2.191 416 H GLU 49 HN GLU 49 -23.335 -11.220 -3.336 417 HA GLU 49 HA GLU 49 -25.436 -10.721 -5.422 418 1HB GLU 49 HB2 GLU 49 -25.561 -10.155 -2.446 419 2HB GLU 49 HB1 GLU 49 -26.723 -9.540 -3.626 420 1HG GLU 49 HG2 GLU 49 -27.291 -11.831 -4.293 421 2HG GLU 49 HG1 GLU 49 -26.103 -12.470 -3.156 422 H GLN 50 HN GLN 50 -25.661 -8.537 -6.054 423 HA GLN 50 HA GLN 50 -23.246 -6.954 -5.946 424 1HB GLN 50 HB2 GLN 50 -26.048 -6.352 -6.931 425 2HB GLN 50 HB1 GLN 50 -24.709 -5.216 -7.076 426 1HG GLN 50 HG2 GLN 50 -24.970 -6.530 -9.144 427 2HG GLN 50 HG1 GLN 50 -23.425 -6.877 -8.369 428 1HE2 GLN 50 HE22 GLN 50 -24.138 -10.308 -8.210 429 2HE2 GLN 50 HE21 GLN 50 -22.982 -9.072 -8.337 430 H GLU 51 HN GLU 51 -26.162 -7.097 -4.046 431 HA GLU 51 HA GLU 51 -26.148 -4.488 -2.920 432 1HB GLU 51 HB2 GLU 51 -27.014 -7.158 -1.775 433 2HB GLU 51 HB1 GLU 51 -27.309 -5.616 -0.971 434 1HG GLU 51 HG2 GLU 51 -28.188 -6.199 -3.807 435 2HG GLU 51 HG1 GLU 51 -29.229 -6.440 -2.405 436 H VAL 52 HN VAL 52 -24.396 -7.440 -1.981 437 HA VAL 52 HA VAL 52 -23.231 -6.335 0.404 438 HB VAL 52 HB VAL 52 -22.342 -8.574 -1.439 439 1HG1 VAL 52 HG12 VAL 52 -21.177 -7.581 1.171 440 2HG1 VAL 52 HG11 VAL 52 -20.908 -9.221 0.578 441 3HG1 VAL 52 HG13 VAL 52 -20.341 -7.840 -0.359 442 1HG2 VAL 52 HG23 VAL 52 -24.471 -8.857 -0.133 443 2HG2 VAL 52 HG22 VAL 52 -23.219 -10.016 0.314 444 3HG2 VAL 52 HG21 VAL 52 -23.542 -8.626 1.348 445 H VAL 53 HN VAL 53 -22.160 -6.458 -2.985 446 HA VAL 53 HA VAL 53 -19.570 -5.341 -2.592 447 HB VAL 53 HB VAL 53 -21.461 -5.217 -4.960 448 1HG1 VAL 53 HG11 VAL 53 -18.592 -4.300 -4.659 449 2HG1 VAL 53 HG13 VAL 53 -19.306 -4.685 -6.227 450 3HG1 VAL 53 HG12 VAL 53 -19.969 -3.371 -5.255 451 1HG2 VAL 53 HG23 VAL 53 -19.029 -6.909 -4.299 452 2HG2 VAL 53 HG22 VAL 53 -20.699 -7.466 -4.387 453 3HG2 VAL 53 HG21 VAL 53 -19.868 -6.931 -5.850 454 H ASP 54 HN ASP 54 -22.704 -3.761 -3.251 455 HA ASP 54 HA ASP 54 -21.711 -1.099 -3.383 456 1HB ASP 54 HB2 ASP 54 -24.013 -1.716 -4.038 457 2HB ASP 54 HB1 ASP 54 -24.396 -2.062 -2.353 458 H LYS 55 HN LYS 55 -22.835 -3.012 -0.590 459 HA LYS 55 HA LYS 55 -22.535 -0.918 1.339 460 1HB LYS 55 HB2 LYS 55 -22.454 -3.938 1.607 461 2HB LYS 55 HB1 LYS 55 -22.416 -2.837 2.984 462 1HG LYS 55 HG2 LYS 55 -24.552 -1.843 2.268 463 2HG LYS 55 HG1 LYS 55 -24.601 -2.934 0.884 464 1HD LYS 55 HD2 LYS 55 -24.654 -4.872 2.402 465 2HD LYS 55 HD1 LYS 55 -24.600 -3.790 3.795 466 1HE LYS 55 HE2 LYS 55 -26.919 -4.489 3.320 467 2HE LYS 55 HE1 LYS 55 -26.721 -2.754 3.069 468 1HZ LYS 55 HZ2 LYS 55 -26.601 -4.810 0.926 469 2HZ LYS 55 HZ1 LYS 55 -27.945 -3.825 1.257 470 3HZ LYS 55 HZ3 LYS 55 -26.498 -3.127 0.713 471 H VAL 56 HN VAL 56 -20.289 -3.399 0.149 472 HA VAL 56 HA VAL 56 -18.169 -2.877 1.976 473 HB VAL 56 HB VAL 56 -18.139 -3.851 -0.895 474 1HG1 VAL 56 HG12 VAL 56 -15.908 -3.587 1.129 475 2HG1 VAL 56 HG11 VAL 56 -15.822 -4.722 -0.219 476 3HG1 VAL 56 HG13 VAL 56 -15.949 -2.990 -0.531 477 1HG2 VAL 56 HG21 VAL 56 -19.233 -5.188 1.078 478 2HG2 VAL 56 HG23 VAL 56 -18.120 -6.027 -0.004 479 3HG2 VAL 56 HG22 VAL 56 -17.567 -5.483 1.581 480 H MET 57 HN MET 57 -18.993 -1.389 -1.142 481 HA MET 57 HA MET 57 -16.679 0.284 -1.323 482 1HB MET 57 HB2 MET 57 -19.471 0.560 -2.463 483 2HB MET 57 HB1 MET 57 -18.138 1.635 -2.884 484 1HG MET 57 HG2 MET 57 -16.826 -0.284 -3.692 485 2HG MET 57 HG1 MET 57 -18.133 -1.378 -3.243 486 1HE MET 57 HE2 MET 57 -16.553 0.830 -5.760 487 2HE MET 57 HE1 MET 57 -17.832 1.475 -6.786 488 3HE MET 57 HE3 MET 57 -17.636 2.070 -5.132 489 H GLU 58 HN GLU 58 -19.886 0.799 0.133 490 HA GLU 58 HA GLU 58 -19.528 3.562 0.758 491 1HB GLU 58 HB2 GLU 58 -21.719 2.413 0.851 492 2HB GLU 58 HB1 GLU 58 -21.163 1.477 2.238 493 1HG GLU 58 HG2 GLU 58 -20.864 3.541 3.537 494 2HG GLU 58 HG1 GLU 58 -21.360 4.504 2.144 495 H THR 59 HN THR 59 -18.789 0.616 2.624 496 HA THR 59 HA THR 59 -17.911 1.981 4.983 497 HB THR 59 HB THR 59 -17.041 -0.708 3.879 498 HG1 THR 59 HG1 THR 59 -19.333 0.204 4.967 499 1HG2 THR 59 HG22 THR 59 -16.714 0.622 6.569 500 2HG2 THR 59 HG21 THR 59 -16.674 -1.133 6.389 501 3HG2 THR 59 HG23 THR 59 -15.479 -0.135 5.562 502 H LEU 60 HN LEU 60 -16.047 0.671 2.229 503 HA LEU 60 HA LEU 60 -13.508 1.604 3.133 504 1HB LEU 60 HB2 LEU 60 -13.765 -0.084 1.359 505 2HB LEU 60 HB1 LEU 60 -14.486 1.129 0.303 506 HG LEU 60 HG LEU 60 -12.380 2.440 0.381 507 1HD1 LEU 60 HD11 LEU 60 -11.595 0.234 2.277 508 2HD1 LEU 60 HD13 LEU 60 -10.359 1.033 1.305 509 3HD1 LEU 60 HD12 LEU 60 -11.338 1.972 2.424 510 1HD2 LEU 60 HD22 LEU 60 -12.299 -0.449 -0.476 511 2HD2 LEU 60 HD21 LEU 60 -12.521 0.987 -1.475 512 3HD2 LEU 60 HD23 LEU 60 -10.940 0.631 -0.779 513 H ASP 61 HN ASP 61 -15.795 3.038 0.801 514 HA ASP 61 HA ASP 61 -14.187 5.462 0.572 515 1HB ASP 61 HB2 ASP 61 -16.945 4.715 -0.433 516 2HB ASP 61 HB1 ASP 61 -16.172 6.263 -0.770 517 H GLU 62 HN GLU 62 -14.129 6.796 2.323 518 HA GLU 62 HA GLU 62 -16.269 6.990 4.247 519 1HB GLU 62 HB2 GLU 62 -13.839 7.569 4.679 520 2HB GLU 62 HB1 GLU 62 -14.089 9.034 3.732 521 1HG GLU 62 HG2 GLU 62 -15.807 9.801 5.267 522 2HG GLU 62 HG1 GLU 62 -15.737 8.284 6.163 523 H ASP 63 HN ASP 63 -15.290 8.915 1.431 524 HA ASP 63 HA ASP 63 -17.357 10.923 1.804 525 1HB ASP 63 HB2 ASP 63 -16.755 11.589 -0.525 526 2HB ASP 63 HB1 ASP 63 -15.342 11.454 0.522 527 H GLY 64 HN GLY 64 -16.970 8.170 -0.453 528 1HA GLY 64 HA2 GLY 64 -18.673 6.736 -1.266 529 2HA GLY 64 HA1 GLY 64 -19.862 7.695 -0.388 530 H ASP 65 HN ASP 65 -17.512 8.454 -3.010 531 HA ASP 65 HA ASP 65 -19.523 10.161 -4.293 532 1HB ASP 65 HB2 ASP 65 -17.799 10.694 -5.893 533 2HB ASP 65 HB1 ASP 65 -17.043 10.660 -4.300 534 H GLY 66 HN GLY 66 -18.963 6.870 -4.234 535 1HA GLY 66 HA2 GLY 66 -19.996 5.148 -5.461 536 2HA GLY 66 HA1 GLY 66 -20.832 6.386 -6.396 537 H GLU 67 HN GLU 67 -17.404 6.687 -6.239 538 HA GLU 67 HA GLU 67 -17.068 5.327 -8.892 539 1HB GLU 67 HB2 GLU 67 -16.166 8.124 -8.122 540 2HB GLU 67 HB1 GLU 67 -15.652 7.280 -9.582 541 1HG GLU 67 HG2 GLU 67 -17.892 7.213 -10.437 542 2HG GLU 67 HG1 GLU 67 -18.562 7.762 -8.900 543 H CYS 68 HN CYS 68 -14.944 4.495 -9.222 544 HA CYS 68 HA CYS 68 -13.250 4.390 -6.746 545 1HB CYS 68 HB2 CYS 68 -13.031 2.466 -9.056 546 2HB CYS 68 HB1 CYS 68 -12.583 2.228 -7.368 547 HG CYS 68 HG CYS 68 -15.524 2.228 -8.417 548 H ASP 69 HN ASP 69 -11.680 5.903 -6.940 549 HA ASP 69 HA ASP 69 -10.400 6.383 -9.590 550 1HB ASP 69 HB2 ASP 69 -10.295 7.879 -6.956 551 2HB ASP 69 HB1 ASP 69 -9.305 8.299 -8.353 552 H PHE 70 HN PHE 70 -7.927 6.767 -9.396 553 HA PHE 70 HA PHE 70 -6.655 4.355 -8.568 554 1HB PHE 70 HB2 PHE 70 -5.634 5.795 -10.245 555 2HB PHE 70 HB1 PHE 70 -5.503 7.115 -9.081 556 HD1 PHE 70 HD1 PHE 70 -3.893 7.013 -7.228 557 HD2 PHE 70 HD2 PHE 70 -4.116 3.889 -10.168 558 HE1 PHE 70 HE1 PHE 70 -1.698 6.143 -6.471 559 HE2 PHE 70 HE2 PHE 70 -1.920 3.020 -9.410 560 HZ PHE 70 HZ PHE 70 -0.711 4.146 -7.561 561 H GLN 71 HN GLN 71 -6.977 7.516 -6.968 562 HA GLN 71 HA GLN 71 -5.283 6.981 -4.746 563 1HB GLN 71 HB2 GLN 71 -6.182 9.224 -5.259 564 2HB GLN 71 HB1 GLN 71 -7.806 8.666 -4.857 565 1HG GLN 71 HG2 GLN 71 -7.121 8.227 -2.552 566 2HG GLN 71 HG1 GLN 71 -5.459 8.677 -2.932 567 1HE2 GLN 71 HE22 GLN 71 -7.088 11.692 -1.470 568 2HE2 GLN 71 HE21 GLN 71 -6.677 10.139 -0.919 569 H GLU 72 HN GLU 72 -8.731 6.285 -5.273 570 HA GLU 72 HA GLU 72 -9.172 5.222 -2.625 571 1HB GLU 72 HB2 GLU 72 -10.696 4.854 -5.216 572 2HB GLU 72 HB1 GLU 72 -11.249 4.254 -3.651 573 1HG GLU 72 HG2 GLU 72 -11.138 6.566 -2.745 574 2HG GLU 72 HG1 GLU 72 -10.664 7.148 -4.342 575 H PHE 73 HN PHE 73 -8.176 3.772 -5.699 576 HA PHE 73 HA PHE 73 -8.492 1.040 -4.972 577 1HB PHE 73 HB2 PHE 73 -8.008 1.720 -7.276 578 2HB PHE 73 HB1 PHE 73 -6.429 2.331 -6.787 579 HD1 PHE 73 HD1 PHE 73 -8.465 -0.710 -7.316 580 HD2 PHE 73 HD2 PHE 73 -4.595 0.840 -6.283 581 HE1 PHE 73 HE1 PHE 73 -7.477 -2.962 -7.640 582 HE2 PHE 73 HE2 PHE 73 -3.606 -1.411 -6.603 583 HZ PHE 73 HZ PHE 73 -5.047 -3.313 -7.282 584 H MET 74 HN MET 74 -5.770 3.269 -4.471 585 HA MET 74 HA MET 74 -3.966 1.381 -3.334 586 1HB MET 74 HB2 MET 74 -3.624 3.898 -4.014 587 2HB MET 74 HB1 MET 74 -4.138 4.239 -2.363 588 1HG MET 74 HG2 MET 74 -1.858 2.383 -3.112 589 2HG MET 74 HG1 MET 74 -1.661 4.050 -2.574 590 1HE MET 74 HE1 MET 74 -0.086 2.259 -1.478 591 2HE MET 74 HE3 MET 74 -0.283 2.020 0.263 592 3HE MET 74 HE2 MET 74 -0.821 0.780 -0.866 593 H ALA 75 HN ALA 75 -6.556 3.343 -1.920 594 HA ALA 75 HA ALA 75 -6.106 2.743 0.817 595 1HB ALA 75 HB3 ALA 75 -7.717 4.457 -0.179 596 2HB ALA 75 HB2 ALA 75 -8.836 3.114 -0.418 597 3HB ALA 75 HB1 ALA 75 -8.311 3.546 1.210 598 H PHE 76 HN PHE 76 -7.894 0.925 -1.665 599 HA PHE 76 HA PHE 76 -9.148 -0.935 0.080 600 1HB PHE 76 HB2 PHE 76 -9.706 -0.800 -2.311 601 2HB PHE 76 HB1 PHE 76 -8.097 -1.389 -2.731 602 HD1 PHE 76 HD1 PHE 76 -7.413 -3.714 -2.143 603 HD2 PHE 76 HD2 PHE 76 -11.421 -2.311 -1.510 604 HE1 PHE 76 HE1 PHE 76 -8.194 -6.054 -1.890 605 HE2 PHE 76 HE2 PHE 76 -12.201 -4.648 -1.255 606 HZ PHE 76 HZ PHE 76 -10.589 -6.521 -1.443 607 H VAL 77 HN VAL 77 -5.916 -1.031 -1.433 608 HA VAL 77 HA VAL 77 -5.233 -3.634 -0.465 609 HB VAL 77 HB VAL 77 -3.451 -1.265 -1.094 610 1HG1 VAL 77 HG12 VAL 77 -2.890 -4.178 -0.520 611 2HG1 VAL 77 HG11 VAL 77 -1.794 -3.218 -1.516 612 3HG1 VAL 77 HG13 VAL 77 -2.105 -2.750 0.157 613 1HG2 VAL 77 HG21 VAL 77 -4.880 -2.000 -2.971 614 2HG2 VAL 77 HG23 VAL 77 -3.190 -2.401 -3.273 615 3HG2 VAL 77 HG22 VAL 77 -4.313 -3.656 -2.754 616 H SER 78 HN SER 78 -4.776 -0.397 0.935 617 HA SER 78 HA SER 78 -3.275 -1.195 3.223 618 1HB SER 78 HB2 SER 78 -3.956 0.940 4.191 619 2HB SER 78 HB1 SER 78 -3.581 1.166 2.486 620 HG SER 78 HG SER 78 -6.032 1.211 3.824 621 H MET 79 HN MET 79 -6.779 -1.009 2.685 622 HA MET 79 HA MET 79 -7.604 -1.502 5.355 623 1HB MET 79 HB2 MET 79 -9.079 -0.815 3.420 624 2HB MET 79 HB1 MET 79 -9.018 -2.488 2.866 625 1HG MET 79 HG2 MET 79 -9.998 -3.263 4.962 626 2HG MET 79 HG1 MET 79 -9.965 -1.625 5.615 627 1HE MET 79 HE3 MET 79 -11.960 -4.254 4.114 628 2HE MET 79 HE2 MET 79 -12.955 -3.568 2.833 629 3HE MET 79 HE1 MET 79 -11.225 -3.780 2.576 630 H VAL 80 HN VAL 80 -6.753 -3.789 2.763 631 HA VAL 80 HA VAL 80 -7.565 -6.163 4.095 632 HB VAL 80 HB VAL 80 -5.325 -5.651 2.120 633 1HG1 VAL 80 HG12 VAL 80 -6.371 -8.224 3.313 634 2HG1 VAL 80 HG11 VAL 80 -5.569 -8.186 1.742 635 3HG1 VAL 80 HG13 VAL 80 -4.699 -7.678 3.189 636 1HG2 VAL 80 HG23 VAL 80 -7.620 -5.228 1.313 637 2HG2 VAL 80 HG22 VAL 80 -6.923 -6.645 0.526 638 3HG2 VAL 80 HG21 VAL 80 -8.099 -6.846 1.827 639 H THR 81 HN THR 81 -4.491 -4.362 4.260 640 HA THR 81 HA THR 81 -3.146 -6.279 5.922 641 HB THR 81 HB THR 81 -1.646 -4.325 6.471 642 HG1 THR 81 HG1 THR 81 -3.783 -3.057 5.274 643 1HG2 THR 81 HG23 THR 81 -2.356 -4.893 3.585 644 2HG2 THR 81 HG22 THR 81 -0.921 -3.992 4.075 645 3HG2 THR 81 HG21 THR 81 -1.108 -5.679 4.553 646 H THR 82 HN THR 82 -5.112 -3.414 6.672 647 HA THR 82 HA THR 82 -4.643 -3.437 9.491 648 HB THR 82 HB THR 82 -6.789 -2.129 9.591 649 HG1 THR 82 HG1 THR 82 -7.075 -3.326 7.211 650 1HG2 THR 82 HG23 THR 82 -4.746 -1.369 7.488 651 2HG2 THR 82 HG22 THR 82 -5.933 -0.256 8.167 652 3HG2 THR 82 HG21 THR 82 -4.695 -0.965 9.205 653 H ALA 83 HN ALA 83 -7.112 -5.057 7.499 654 HA ALA 83 HA ALA 83 -8.450 -6.187 9.840 655 1HB ALA 83 HB1 ALA 83 -8.686 -6.851 6.891 656 2HB ALA 83 HB3 ALA 83 -9.744 -7.479 8.153 657 3HB ALA 83 HB2 ALA 83 -9.731 -5.753 7.793 658 H CYS 84 HN CYS 84 -5.686 -6.965 8.009 659 HA CYS 84 HA CYS 84 -5.681 -9.796 8.048 660 1HB CYS 84 HB2 CYS 84 -3.982 -8.218 6.965 661 2HB CYS 84 HB1 CYS 84 -3.234 -8.097 8.557 662 HG CYS 84 HG CYS 84 -3.579 -11.003 7.857 663 H HIS 85 HN HIS 85 -4.617 -11.267 9.542 664 HA HIS 85 HA HIS 85 -5.049 -10.496 12.362 665 1HB HIS 85 HB2 HIS 85 -4.477 -12.977 12.719 666 2HB HIS 85 HB1 HIS 85 -5.938 -12.631 11.805 667 HD1 HIS 85 HD1 HIS 85 -5.706 -12.748 9.136 668 HD2 HIS 85 HD2 HIS 85 -2.565 -14.443 11.295 669 HE1 HIS 85 HE1 HIS 85 -4.428 -14.216 7.511 670 HE2 HIS 85 HE2 HIS 85 -2.516 -15.253 8.814 671 H GLU 86 HN GLU 86 -2.885 -12.540 13.170 672 HA GLU 86 HA GLU 86 -0.482 -10.828 12.617 673 1HB GLU 86 HB2 GLU 86 -1.481 -10.365 14.859 674 2HB GLU 86 HB1 GLU 86 -1.255 -12.062 15.278 675 1HG GLU 86 HG2 GLU 86 0.601 -10.765 16.171 676 2HG GLU 86 HG1 GLU 86 1.198 -11.791 14.870 677 H PHE 87 HN PHE 87 -1.781 -14.047 13.093 678 HA PHE 87 HA PHE 87 0.863 -15.296 13.265 679 1HB PHE 87 HB2 PHE 87 -1.980 -16.245 13.215 680 2HB PHE 87 HB1 PHE 87 -0.740 -17.400 12.734 681 HD1 PHE 87 HD2 PHE 87 -1.968 -15.265 15.506 682 HD2 PHE 87 HD1 PHE 87 0.852 -18.277 14.309 683 HE1 PHE 87 HE2 PHE 87 -1.401 -15.684 17.884 684 HE2 PHE 87 HE1 PHE 87 1.420 -18.695 16.685 685 HZ PHE 87 HZ PHE 87 0.293 -17.399 18.473 686 H PHE 88 HN PHE 88 1.496 -14.053 11.176 687 HA PHE 88 HA PHE 88 1.731 -15.959 9.064 688 1HB PHE 88 HB2 PHE 88 -0.755 -14.907 8.924 689 2HB PHE 88 HB1 PHE 88 0.100 -13.647 8.042 690 HD1 PHE 88 HD2 PHE 88 -0.306 -17.363 8.218 691 HD2 PHE 88 HD1 PHE 88 0.634 -13.967 5.763 692 HE1 PHE 88 HE2 PHE 88 -0.247 -18.827 6.219 693 HE2 PHE 88 HE1 PHE 88 0.694 -15.432 3.762 694 HZ PHE 88 HZ PHE 88 0.253 -17.863 3.991 695 H GLU 89 HN GLU 89 3.157 -13.880 10.697 696 HA GLU 89 HA GLU 89 4.178 -12.039 8.597 697 1HB GLU 89 HB2 GLU 89 4.608 -12.187 11.592 698 2HB GLU 89 HB1 GLU 89 5.368 -10.988 10.544 699 1HG GLU 89 HG2 GLU 89 3.142 -10.204 9.824 700 2HG GLU 89 HG1 GLU 89 2.378 -11.399 10.870 701 H HIS 90 HN HIS 90 4.853 -15.114 9.378 702 HA HIS 90 HA HIS 90 7.828 -14.809 9.405 703 1HB HIS 90 HB2 HIS 90 6.908 -16.268 11.126 704 2HB HIS 90 HB1 HIS 90 6.034 -17.200 9.912 705 HD1 HIS 90 HD1 HIS 90 9.681 -16.059 10.101 706 HD2 HIS 90 HD2 HIS 90 7.442 -19.539 9.574 707 HE1 HIS 90 HE1 HIS 90 11.344 -17.930 9.702 708 HE2 HIS 90 HE2 HIS 90 9.990 -20.052 9.382 709 H GLU 91 HN GLU 91 5.421 -15.152 7.113 710 HA GLU 91 HA GLU 91 5.365 -16.061 4.938 711 1HB GLU 91 HB2 GLU 91 7.120 -14.343 4.649 712 2HB GLU 91 HB1 GLU 91 8.343 -15.507 5.162 713 1HG GLU 91 HG2 GLU 91 7.811 -16.952 3.250 714 2HG GLU 91 HG1 GLU 91 6.523 -15.853 2.757 715 1H MET 0 HT1 MET 0 1.242 -16.851 -9.821 716 2H MET 0 HT3 MET 0 1.294 -16.932 -8.128 717 3H MET 0 HT2 MET 0 1.187 -18.360 -9.042 718 HA MET 0 HA MET 0 -1.009 -17.845 -9.759 719 1HB MET 0 HB2 MET 0 -0.706 -18.881 -7.502 720 2HB MET 0 HB1 MET 0 -0.723 -17.267 -6.793 721 1HG MET 0 HG2 MET 0 -2.951 -18.227 -6.609 722 2HG MET 0 HG1 MET 0 -3.000 -16.910 -7.777 723 1HE MET 0 HE3 MET 0 -5.255 -18.553 -7.660 724 2HE MET 0 HE2 MET 0 -5.161 -17.664 -9.177 725 3HE MET 0 HE1 MET 0 -5.577 -19.375 -9.192 726 H SER 1 HN SER 1 -0.452 -15.444 -7.180 727 HA SER 1 HA SER 1 -1.581 -13.332 -9.001 728 1HB SER 1 HB2 SER 1 -3.243 -13.822 -7.322 729 2HB SER 1 HB1 SER 1 -2.036 -13.798 -6.039 730 HG SER 1 HG SER 1 -2.251 -11.539 -7.657 731 H GLU 2 HN GLU 2 -0.031 -11.855 -9.432 732 HA GLU 2 HA GLU 2 2.436 -11.691 -7.952 733 1HB GLU 2 HB2 GLU 2 1.194 -9.768 -9.947 734 2HB GLU 2 HB1 GLU 2 2.852 -9.667 -9.357 735 1HG GLU 2 HG2 GLU 2 1.674 -12.054 -10.811 736 2HG GLU 2 HG1 GLU 2 2.705 -10.832 -11.553 737 H LEU 3 HN LEU 3 -0.561 -9.807 -7.930 738 HA LEU 3 HA LEU 3 0.321 -7.685 -6.255 739 1HB LEU 3 HB2 LEU 3 -1.939 -8.014 -7.527 740 2HB LEU 3 HB1 LEU 3 -2.453 -8.868 -6.077 741 HG LEU 3 HG LEU 3 -1.533 -6.713 -4.830 742 1HD1 LEU 3 HD12 LEU 3 -2.076 -5.715 -7.646 743 2HD1 LEU 3 HD11 LEU 3 -1.995 -4.668 -6.233 744 3HD1 LEU 3 HD13 LEU 3 -0.570 -5.574 -6.739 745 1HD2 LEU 3 HD21 LEU 3 -4.136 -6.915 -6.368 746 2HD2 LEU 3 HD23 LEU 3 -3.848 -7.303 -4.671 747 3HD2 LEU 3 HD22 LEU 3 -3.816 -5.624 -5.211 748 H GLU 4 HN GLU 4 -1.077 -10.867 -5.439 749 HA GLU 4 HA GLU 4 -1.132 -10.486 -2.606 750 1HB GLU 4 HB2 GLU 4 -2.345 -12.307 -3.746 751 2HB GLU 4 HB1 GLU 4 -0.809 -13.051 -4.190 752 1HG GLU 4 HG2 GLU 4 -0.240 -13.367 -1.829 753 2HG GLU 4 HG1 GLU 4 -1.723 -12.546 -1.342 754 H LYS 5 HN LYS 5 1.407 -11.761 -4.764 755 HA LYS 5 HA LYS 5 3.201 -12.625 -2.723 756 1HB LYS 5 HB2 LYS 5 3.518 -13.140 -5.133 757 2HB LYS 5 HB1 LYS 5 3.890 -11.443 -5.437 758 1HG LYS 5 HG2 LYS 5 5.818 -11.589 -3.888 759 2HG LYS 5 HG1 LYS 5 5.448 -13.288 -3.599 760 1HD LYS 5 HD2 LYS 5 6.122 -12.091 -6.303 761 2HD LYS 5 HD1 LYS 5 7.251 -12.983 -5.284 762 1HE LYS 5 HE2 LYS 5 6.505 -14.700 -6.661 763 2HE LYS 5 HE1 LYS 5 5.323 -14.832 -5.360 764 1HZ LYS 5 HZ3 LYS 5 4.480 -12.888 -7.221 765 2HZ LYS 5 HZ2 LYS 5 4.849 -14.325 -8.048 766 3HZ LYS 5 HZ1 LYS 5 3.717 -14.337 -6.780 767 H ALA 6 HN ALA 6 2.756 -9.460 -4.267 768 HA ALA 6 HA ALA 6 4.923 -8.136 -2.964 769 1HB ALA 6 HB1 ALA 6 2.305 -7.175 -4.123 770 2HB ALA 6 HB3 ALA 6 3.451 -6.060 -3.380 771 3HB ALA 6 HB2 ALA 6 3.927 -7.001 -4.793 772 H MET 7 HN MET 7 1.543 -8.658 -2.000 773 HA MET 7 HA MET 7 1.553 -7.031 0.332 774 1HB MET 7 HB2 MET 7 0.054 -9.602 -0.258 775 2HB MET 7 HB1 MET 7 -0.302 -8.530 1.096 776 1HG MET 7 HG2 MET 7 -0.281 -7.599 -1.784 777 2HG MET 7 HG1 MET 7 -1.737 -8.162 -0.973 778 1HE MET 7 HE3 MET 7 -2.574 -7.464 1.047 779 2HE MET 7 HE2 MET 7 -1.500 -6.654 2.181 780 3HE MET 7 HE1 MET 7 -2.817 -5.756 1.432 781 H VAL 8 HN VAL 8 2.556 -10.413 -0.147 782 HA VAL 8 HA VAL 8 3.060 -10.931 2.639 783 HB VAL 8 HB VAL 8 4.102 -12.216 0.100 784 1HG1 VAL 8 HG13 VAL 8 4.645 -12.837 3.003 785 2HG1 VAL 8 HG12 VAL 8 4.642 -14.128 1.801 786 3HG1 VAL 8 HG11 VAL 8 5.777 -12.786 1.652 787 1HG2 VAL 8 HG21 VAL 8 2.004 -12.979 2.155 788 2HG2 VAL 8 HG23 VAL 8 1.720 -12.531 0.473 789 3HG2 VAL 8 HG22 VAL 8 2.547 -14.041 0.856 790 H ALA 9 HN ALA 9 5.110 -9.749 -0.021 791 HA ALA 9 HA ALA 9 7.574 -9.793 1.418 792 1HB ALA 9 HB3 ALA 9 6.589 -8.151 -0.916 793 2HB ALA 9 HB2 ALA 9 8.219 -7.961 -0.264 794 3HB ALA 9 HB1 ALA 9 7.711 -9.512 -0.933 795 H LEU 10 HN LEU 10 5.090 -7.240 1.142 796 HA LEU 10 HA LEU 10 6.546 -5.222 2.533 797 1HB LEU 10 HB2 LEU 10 3.647 -5.752 1.974 798 2HB LEU 10 HB1 LEU 10 4.014 -4.574 3.230 799 HG LEU 10 HG LEU 10 5.514 -3.400 1.561 800 1HD1 LEU 10 HD12 LEU 10 5.702 -5.443 0.058 801 2HD1 LEU 10 HD11 LEU 10 4.050 -5.108 -0.461 802 3HD1 LEU 10 HD13 LEU 10 5.329 -3.936 -0.772 803 1HD2 LEU 10 HD21 LEU 10 3.166 -2.706 2.089 804 2HD2 LEU 10 HD23 LEU 10 3.659 -2.296 0.446 805 3HD2 LEU 10 HD22 LEU 10 2.615 -3.686 0.731 806 H ILE 11 HN ILE 11 4.296 -7.699 3.761 807 HA ILE 11 HA ILE 11 4.523 -6.927 6.512 808 HB ILE 11 HB ILE 11 3.879 -9.610 5.252 809 1HG1 ILE 11 HG12 ILE 11 2.008 -7.573 6.490 810 2HG1 ILE 11 HG11 ILE 11 2.376 -7.597 4.768 811 1HG2 ILE 11 HG22 ILE 11 3.677 -8.602 8.099 812 2HG2 ILE 11 HG21 ILE 11 2.775 -10.002 7.514 813 3HG2 ILE 11 HG23 ILE 11 4.538 -10.025 7.514 814 1HD1 ILE 11 HD12 ILE 11 1.648 -10.270 5.691 815 2HD1 ILE 11 HD11 ILE 11 0.393 -9.096 6.083 816 3HD1 ILE 11 HD13 ILE 11 0.925 -9.288 4.416 817 H ASP 12 HN ASP 12 6.304 -9.268 4.520 818 HA ASP 12 HA ASP 12 7.876 -10.397 6.606 819 1HB ASP 12 HB2 ASP 12 7.665 -11.368 4.339 820 2HB ASP 12 HB1 ASP 12 8.603 -10.025 3.688 821 H VAL 13 HN VAL 13 8.687 -7.718 4.368 822 HA VAL 13 HA VAL 13 11.282 -7.236 5.427 823 HB VAL 13 HB VAL 13 9.307 -5.405 4.037 824 1HG1 VAL 13 HG11 VAL 13 12.172 -4.919 4.883 825 2HG1 VAL 13 HG13 VAL 13 11.391 -4.001 3.596 826 3HG1 VAL 13 HG12 VAL 13 10.758 -3.929 5.240 827 1HG2 VAL 13 HG22 VAL 13 10.257 -7.381 2.793 828 2HG2 VAL 13 HG21 VAL 13 10.684 -5.823 2.084 829 3HG2 VAL 13 HG23 VAL 13 11.865 -6.706 3.052 830 H PHE 14 HN PHE 14 8.128 -5.886 6.352 831 HA PHE 14 HA PHE 14 9.040 -3.929 8.187 832 1HB PHE 14 HB2 PHE 14 6.727 -4.057 7.412 833 2HB PHE 14 HB1 PHE 14 6.518 -5.606 8.224 834 HD1 PHE 14 HD1 PHE 14 6.688 -5.717 10.747 835 HD2 PHE 14 HD2 PHE 14 6.502 -2.002 8.599 836 HE1 PHE 14 HE1 PHE 14 6.029 -4.547 12.830 837 HE2 PHE 14 HE2 PHE 14 5.838 -0.834 10.682 838 HZ PHE 14 HZ PHE 14 5.605 -2.104 12.800 839 H HIS 15 HN HIS 15 8.002 -7.289 8.907 840 HA HIS 15 HA HIS 15 8.847 -7.008 11.691 841 1HB HIS 15 HB2 HIS 15 6.883 -8.362 11.063 842 2HB HIS 15 HB1 HIS 15 7.938 -9.471 10.186 843 HD1 HIS 15 HD1 HIS 15 8.090 -11.528 11.618 844 HD2 HIS 15 HD2 HIS 15 8.449 -8.038 13.876 845 HE1 HIS 15 HE1 HIS 15 8.630 -12.254 13.986 846 HE2 HIS 15 HE2 HIS 15 8.852 -10.139 15.365 847 H GLN 16 HN GLN 16 10.161 -8.640 8.828 848 HA GLN 16 HA GLN 16 12.041 -10.283 10.132 849 1HB GLN 16 HB2 GLN 16 11.496 -10.467 7.752 850 2HB GLN 16 HB1 GLN 16 12.276 -8.918 7.443 851 1HG GLN 16 HG2 GLN 16 14.437 -9.807 8.119 852 2HG GLN 16 HG1 GLN 16 13.695 -11.327 8.620 853 1HE2 GLN 16 HE22 GLN 16 14.798 -12.299 5.342 854 2HE2 GLN 16 HE21 GLN 16 15.272 -12.271 6.971 855 H TYR 17 HN TYR 17 12.737 -7.045 8.724 856 HA TYR 17 HA TYR 17 15.395 -7.110 9.910 857 1HB TYR 17 HB2 TYR 17 15.167 -6.070 7.766 858 2HB TYR 17 HB1 TYR 17 13.901 -5.000 8.353 859 HD1 TYR 17 HD2 TYR 17 17.147 -5.807 10.107 860 HD2 TYR 17 HD1 TYR 17 14.851 -2.882 7.941 861 HE1 TYR 17 HE2 TYR 17 18.826 -4.086 10.650 862 HE2 TYR 17 HE1 TYR 17 16.548 -1.164 8.487 863 HH TYR 17 HH TYR 17 19.418 -1.581 9.224 864 H SER 18 HN SER 18 12.337 -5.861 10.956 865 HA SER 18 HA SER 18 13.276 -3.721 12.600 866 1HB SER 18 HB2 SER 18 10.922 -3.993 11.963 867 2HB SER 18 HB1 SER 18 10.818 -5.449 12.946 868 HG SER 18 HG SER 18 10.081 -3.555 14.037 869 H GLY 19 HN GLY 19 12.647 -7.146 13.499 870 1HA GLY 19 HA2 GLY 19 13.376 -6.612 16.276 871 2HA GLY 19 HA1 GLY 19 13.009 -8.189 15.591 872 H ARG 20 HN ARG 20 15.273 -7.291 13.488 873 HA ARG 20 HA ARG 20 17.292 -8.940 14.625 874 1HB ARG 20 HB2 ARG 20 17.617 -6.752 12.548 875 2HB ARG 20 HB1 ARG 20 18.779 -8.038 12.866 876 1HG ARG 20 HG2 ARG 20 15.923 -8.677 12.143 877 2HG ARG 20 HG1 ARG 20 17.116 -8.341 10.896 878 1HD ARG 20 HD2 ARG 20 18.544 -10.164 11.762 879 2HD ARG 20 HD1 ARG 20 17.338 -10.517 12.999 880 HE ARG 20 HE ARG 20 15.875 -10.680 10.687 881 1HH1 ARG 20 HH21 ARG 20 18.869 -11.998 11.782 882 2HH1 ARG 20 HH22 ARG 20 18.700 -13.467 10.879 883 1HH2 ARG 20 HH11 ARG 20 15.640 -12.593 9.511 884 2HH2 ARG 20 HH12 ARG 20 16.871 -13.807 9.601 885 H GLU 21 HN GLU 21 17.178 -5.359 14.449 886 HA GLU 21 HA GLU 21 18.431 -5.067 17.030 887 1HB GLU 21 HB2 GLU 21 20.411 -5.855 15.782 888 2HB GLU 21 HB1 GLU 21 20.179 -4.575 14.596 889 1HG GLU 21 HG2 GLU 21 20.562 -2.871 16.306 890 2HG GLU 21 HG1 GLU 21 20.684 -4.114 17.552 891 H GLY 22 HN GLY 22 17.197 -3.809 14.065 892 1HA GLY 22 HA2 GLY 22 17.689 -1.038 14.360 893 2HA GLY 22 HA1 GLY 22 16.273 -1.713 13.553 894 H ASP 23 HN ASP 23 14.910 -2.941 15.579 895 HA ASP 23 HA ASP 23 14.738 -1.242 17.939 896 1HB ASP 23 HB2 ASP 23 13.641 0.219 16.304 897 2HB ASP 23 HB1 ASP 23 12.555 -1.091 15.856 898 H LYS 24 HN LYS 24 12.787 -1.937 19.305 899 HA LYS 24 HA LYS 24 12.657 -4.870 19.224 900 1HB LYS 24 HB2 LYS 24 12.958 -3.489 21.320 901 2HB LYS 24 HB1 LYS 24 11.269 -3.010 21.159 902 1HG LYS 24 HG2 LYS 24 10.715 -5.506 21.061 903 2HG LYS 24 HG1 LYS 24 12.374 -5.798 21.577 904 1HD LYS 24 HD2 LYS 24 10.453 -4.014 23.100 905 2HD LYS 24 HD1 LYS 24 10.668 -5.725 23.456 906 1HE LYS 24 HE2 LYS 24 12.776 -3.553 23.619 907 2HE LYS 24 HE1 LYS 24 12.097 -4.481 24.952 908 1HZ LYS 24 HZ3 LYS 24 12.998 -6.378 23.222 909 2HZ LYS 24 HZ2 LYS 24 14.197 -5.175 23.141 910 3HZ LYS 24 HZ1 LYS 24 13.783 -5.867 24.637 911 H HIS 25 HN HIS 25 11.296 -5.541 17.615 912 HA HIS 25 HA HIS 25 9.323 -5.764 16.345 913 1HB HIS 25 HB2 HIS 25 9.053 -7.018 18.559 914 2HB HIS 25 HB1 HIS 25 8.041 -5.672 19.076 915 HD1 HIS 25 HD1 HIS 25 8.107 -7.091 15.565 916 HD2 HIS 25 HD2 HIS 25 5.560 -6.959 18.865 917 HE1 HIS 25 HE1 HIS 25 5.888 -8.043 14.797 918 HE2 HIS 25 HE2 HIS 25 4.330 -7.967 16.798 919 H LYS 26 HN LYS 26 10.018 -2.870 16.941 920 HA LYS 26 HA LYS 26 7.332 -1.803 16.247 921 1HB LYS 26 HB2 LYS 26 8.993 -0.758 18.562 922 2HB LYS 26 HB1 LYS 26 7.662 0.133 17.827 923 1HG LYS 26 HG2 LYS 26 6.121 -1.725 18.369 924 2HG LYS 26 HG1 LYS 26 7.456 -2.601 19.120 925 1HD LYS 26 HD2 LYS 26 7.770 -0.766 20.735 926 2HD LYS 26 HD1 LYS 26 6.442 0.124 19.988 927 1HE LYS 26 HE2 LYS 26 5.007 -1.959 20.472 928 2HE LYS 26 HE1 LYS 26 6.317 -2.464 21.540 929 1HZ LYS 26 HZ3 LYS 26 4.871 0.127 21.703 930 2HZ LYS 26 HZ2 LYS 26 4.603 -1.209 22.717 931 3HZ LYS 26 HZ1 LYS 26 6.096 -0.398 22.752 932 H LEU 27 HN LEU 27 7.520 0.416 15.288 933 HA LEU 27 HA LEU 27 10.192 0.748 13.984 934 1HB LEU 27 HB2 LEU 27 7.386 1.473 13.151 935 2HB LEU 27 HB1 LEU 27 8.761 2.299 12.432 936 HG LEU 27 HG LEU 27 7.822 0.235 11.206 937 1HD1 LEU 27 HD11 LEU 27 10.734 0.689 11.828 938 2HD1 LEU 27 HD13 LEU 27 10.234 -0.599 10.736 939 3HD1 LEU 27 HD12 LEU 27 9.835 1.076 10.370 940 1HD2 LEU 27 HD22 LEU 27 7.774 -1.139 13.371 941 2HD2 LEU 27 HD21 LEU 27 8.443 -1.932 11.949 942 3HD2 LEU 27 HD23 LEU 27 9.522 -1.294 13.187 943 H LYS 28 HN LYS 28 11.390 2.470 14.422 944 HA LYS 28 HA LYS 28 10.149 4.816 15.830 945 1HB LYS 28 HB2 LYS 28 12.899 3.597 16.260 946 2HB LYS 28 HB1 LYS 28 12.316 5.078 17.015 947 1HG LYS 28 HG2 LYS 28 11.042 2.346 17.335 948 2HG LYS 28 HG1 LYS 28 12.102 3.111 18.518 949 1HD LYS 28 HD2 LYS 28 10.346 5.111 18.301 950 2HD LYS 28 HD1 LYS 28 9.281 3.819 17.750 951 1HE LYS 28 HE2 LYS 28 10.180 2.569 19.907 952 2HE LYS 28 HE1 LYS 28 10.542 4.209 20.446 953 1HZ LYS 28 HZ3 LYS 28 8.013 4.324 19.373 954 2HZ LYS 28 HZ2 LYS 28 8.037 2.887 20.277 955 3HZ LYS 28 HZ1 LYS 28 8.423 4.365 21.019 956 H LYS 29 HN LYS 29 11.361 6.855 15.395 957 HA LYS 29 HA LYS 29 11.735 7.386 12.677 958 1HB LYS 29 HB2 LYS 29 12.951 9.417 13.387 959 2HB LYS 29 HB1 LYS 29 11.517 9.148 14.373 960 1HG LYS 29 HG2 LYS 29 12.943 9.420 16.152 961 2HG LYS 29 HG1 LYS 29 13.410 7.754 15.823 962 1HD LYS 29 HD2 LYS 29 15.131 8.786 14.171 963 2HD LYS 29 HD1 LYS 29 14.820 10.301 15.016 964 1HE LYS 29 HE2 LYS 29 15.702 7.721 16.346 965 2HE LYS 29 HE1 LYS 29 16.760 9.081 15.976 966 1HZ LYS 29 HZ3 LYS 29 14.916 10.375 17.295 967 2HZ LYS 29 HZ2 LYS 29 14.660 8.851 18.002 968 3HZ LYS 29 HZ1 LYS 29 16.186 9.590 18.101 969 H SER 30 HN SER 30 13.984 5.871 14.890 970 HA SER 30 HA SER 30 16.396 6.387 13.438 971 1HB SER 30 HB2 SER 30 17.377 4.670 14.765 972 2HB SER 30 HB1 SER 30 16.153 5.414 15.789 973 HG SER 30 HG SER 30 16.208 3.013 15.604 974 H GLU 31 HN GLU 31 14.039 3.704 13.172 975 HA GLU 31 HA GLU 31 15.580 2.259 11.217 976 1HB GLU 31 HB2 GLU 31 12.685 2.175 12.055 977 2HB GLU 31 HB1 GLU 31 13.254 1.209 10.695 978 1HG GLU 31 HG2 GLU 31 15.003 0.220 12.190 979 2HG GLU 31 HG1 GLU 31 14.299 1.108 13.542 980 H LEU 32 HN LEU 32 13.118 4.793 10.922 981 HA LEU 32 HA LEU 32 12.662 4.524 8.125 982 1HB LEU 32 HB2 LEU 32 12.501 6.843 10.047 983 2HB LEU 32 HB1 LEU 32 12.218 7.097 8.324 984 HG LEU 32 HG LEU 32 10.472 5.320 8.384 985 1HD1 LEU 32 HD11 LEU 32 11.223 5.319 11.311 986 2HD1 LEU 32 HD13 LEU 32 9.660 4.730 10.748 987 3HD1 LEU 32 HD12 LEU 32 11.143 3.946 10.208 988 1HD2 LEU 32 HD23 LEU 32 10.025 7.803 8.797 989 2HD2 LEU 32 HD22 LEU 32 8.793 6.694 9.397 990 3HD2 LEU 32 HD21 LEU 32 9.956 7.409 10.514 991 H LYS 33 HN LYS 33 15.164 6.337 9.902 992 HA LYS 33 HA LYS 33 16.346 7.592 7.633 993 1HB LYS 33 HB2 LYS 33 16.919 8.147 9.995 994 2HB LYS 33 HB1 LYS 33 17.730 6.588 10.143 995 1HG LYS 33 HG2 LYS 33 19.279 7.213 8.326 996 2HG LYS 33 HG1 LYS 33 18.470 8.773 8.173 997 1HD LYS 33 HD2 LYS 33 19.069 9.311 10.507 998 2HD LYS 33 HD1 LYS 33 19.881 7.752 10.657 999 1HE LYS 33 HE2 LYS 33 21.373 8.410 8.752 1000 2HE LYS 33 HE1 LYS 33 20.628 10.007 8.775 1001 1HZ LYS 33 HZ2 LYS 33 21.454 9.197 11.376 1002 2HZ LYS 33 HZ1 LYS 33 22.756 9.175 10.286 1003 3HZ LYS 33 HZ3 LYS 33 21.860 10.597 10.505 1004 H GLU 34 HN GLU 34 16.934 4.403 9.122 1005 HA GLU 34 HA GLU 34 19.070 3.660 7.353 1006 1HB GLU 34 HB2 GLU 34 17.477 2.410 9.460 1007 2HB GLU 34 HB1 GLU 34 17.740 1.273 8.144 1008 1HG GLU 34 HG2 GLU 34 19.939 2.850 9.524 1009 2HG GLU 34 HG1 GLU 34 19.533 1.169 9.875 1010 H LEU 35 HN LEU 35 15.576 2.835 7.262 1011 HA LEU 35 HA LEU 35 15.691 1.403 4.802 1012 1HB LEU 35 HB2 LEU 35 13.445 3.011 6.056 1013 2HB LEU 35 HB1 LEU 35 13.234 1.999 4.630 1014 HG LEU 35 HG LEU 35 14.372 0.921 7.220 1015 1HD1 LEU 35 HD11 LEU 35 12.132 1.872 7.651 1016 2HD1 LEU 35 HD13 LEU 35 11.473 0.931 6.313 1017 3HD1 LEU 35 HD12 LEU 35 12.100 0.112 7.743 1018 1HD2 LEU 35 HD23 LEU 35 14.045 -0.189 4.593 1019 2HD2 LEU 35 HD22 LEU 35 14.547 -1.018 6.059 1020 3HD2 LEU 35 HD21 LEU 35 12.847 -0.969 5.621 1021 H ILE 36 HN ILE 36 14.997 4.826 5.455 1022 HA ILE 36 HA ILE 36 14.607 5.599 2.739 1023 HB ILE 36 HB ILE 36 15.543 7.184 5.149 1024 1HG1 ILE 36 HG12 ILE 36 12.863 7.153 3.733 1025 2HG1 ILE 36 HG11 ILE 36 13.225 6.122 5.116 1026 1HG2 ILE 36 HG21 ILE 36 14.863 8.023 2.325 1027 2HG2 ILE 36 HG23 ILE 36 14.687 9.137 3.681 1028 3HG2 ILE 36 HG22 ILE 36 16.271 8.469 3.289 1029 1HD1 ILE 36 HD12 ILE 36 13.852 8.215 6.394 1030 2HD1 ILE 36 HD11 ILE 36 13.213 9.150 5.043 1031 3HD1 ILE 36 HD13 ILE 36 12.145 8.097 5.971 1032 H ASN 37 HN ASN 37 17.534 5.424 4.741 1033 HA ASN 37 HA ASN 37 19.217 6.615 2.702 1034 1HB ASN 37 HB2 ASN 37 19.798 6.725 5.081 1035 2HB ASN 37 HB1 ASN 37 19.947 4.967 5.135 1036 1HD2 ASN 37 HD21 ASN 37 22.247 6.173 5.851 1037 2HD2 ASN 37 HD22 ASN 37 23.387 6.183 4.593 1038 H ASN 38 HN ASN 38 19.097 3.246 3.959 1039 HA ASN 38 HA ASN 38 20.752 2.317 1.751 1040 1HB ASN 38 HB2 ASN 38 19.301 0.885 3.977 1041 2HB ASN 38 HB1 ASN 38 20.267 0.045 2.762 1042 1HD2 ASN 38 HD22 ASN 38 22.438 0.941 5.731 1043 2HD2 ASN 38 HD21 ASN 38 20.974 0.093 5.585 1044 H GLU 39 HN GLU 39 17.542 1.053 2.735 1045 HA GLU 39 HA GLU 39 17.064 -0.266 0.291 1046 1HB GLU 39 HB2 GLU 39 15.790 -0.542 2.469 1047 2HB GLU 39 HB1 GLU 39 14.884 0.904 2.030 1048 1HG GLU 39 HG2 GLU 39 14.093 -0.155 -0.012 1049 2HG GLU 39 HG1 GLU 39 15.103 -1.566 0.287 1050 H LEU 40 HN LEU 40 14.847 2.403 1.078 1051 HA LEU 40 HA LEU 40 14.596 3.045 -1.737 1052 1HB LEU 40 HB2 LEU 40 13.497 4.140 0.828 1053 2HB LEU 40 HB1 LEU 40 13.450 5.200 -0.575 1054 HG LEU 40 HG LEU 40 11.372 3.811 -0.252 1055 1HD1 LEU 40 HD11 LEU 40 12.461 4.614 -2.567 1056 2HD1 LEU 40 HD13 LEU 40 12.566 2.874 -2.839 1057 3HD1 LEU 40 HD12 LEU 40 11.006 3.627 -2.522 1058 1HD2 LEU 40 HD21 LEU 40 12.843 1.778 0.491 1059 2HD2 LEU 40 HD23 LEU 40 11.390 1.471 -0.461 1060 3HD2 LEU 40 HD22 LEU 40 12.970 1.454 -1.239 1061 H SER 41 HN SER 41 15.407 4.893 -2.823 1062 HA SER 41 HA SER 41 17.055 6.852 -1.454 1063 1HB SER 41 HB2 SER 41 18.773 5.240 -1.367 1064 2HB SER 41 HB1 SER 41 18.348 4.570 -2.939 1065 HG SER 41 HG SER 41 20.169 6.355 -2.448 1066 H HIS 42 HN HIS 42 15.616 5.507 -4.285 1067 HA HIS 42 HA HIS 42 16.693 7.440 -6.157 1068 1HB HIS 42 HB2 HIS 42 15.795 5.224 -6.843 1069 2HB HIS 42 HB1 HIS 42 14.180 5.763 -6.380 1070 HD1 HIS 42 HD1 HIS 42 13.082 7.650 -7.828 1071 HD2 HIS 42 HD2 HIS 42 16.758 6.311 -9.275 1072 HE1 HIS 42 HE1 HIS 42 13.297 8.554 -10.186 1073 HE2 HIS 42 HE2 HIS 42 15.531 7.746 -11.074 1074 H PHE 43 HN PHE 43 13.392 7.069 -4.799 1075 HA PHE 43 HA PHE 43 12.523 9.622 -5.803 1076 1HB PHE 43 HB2 PHE 43 11.386 7.846 -3.625 1077 2HB PHE 43 HB1 PHE 43 10.562 9.254 -4.301 1078 HD1 PHE 43 HD2 PHE 43 10.432 9.328 -6.941 1079 HD2 PHE 43 HD1 PHE 43 11.029 5.756 -4.630 1080 HE1 PHE 43 HE2 PHE 43 9.644 7.960 -8.852 1081 HE2 PHE 43 HE1 PHE 43 10.240 4.388 -6.542 1082 HZ PHE 43 HZ PHE 43 9.549 5.490 -8.653 1083 H LEU 44 HN LEU 44 13.651 8.584 -2.576 1084 HA LEU 44 HA LEU 44 13.832 11.489 -1.805 1085 1HB LEU 44 HB2 LEU 44 13.337 9.078 -0.033 1086 2HB LEU 44 HB1 LEU 44 13.469 10.745 0.519 1087 HG LEU 44 HG LEU 44 11.427 9.910 -1.554 1088 1HD1 LEU 44 HD11 LEU 44 11.258 9.802 1.461 1089 2HD1 LEU 44 HD13 LEU 44 9.819 9.948 0.451 1090 3HD1 LEU 44 HD12 LEU 44 10.864 8.535 0.300 1091 1HD2 LEU 44 HD23 LEU 44 11.782 12.289 0.294 1092 2HD2 LEU 44 HD22 LEU 44 11.683 12.285 -1.466 1093 3HD2 LEU 44 HD21 LEU 44 10.251 11.940 -0.504 1094 H GLU 45 HN GLU 45 15.851 12.184 -1.219 1095 HA GLU 45 HA GLU 45 17.823 10.354 -0.084 1096 1HB GLU 45 HB2 GLU 45 17.812 10.003 -2.655 1097 2HB GLU 45 HB1 GLU 45 18.555 11.598 -2.739 1098 1HG GLU 45 HG2 GLU 45 20.430 10.856 -1.382 1099 2HG GLU 45 HG1 GLU 45 19.650 9.304 -1.084 1100 H GLU 46 HN GLU 46 16.465 13.061 0.305 1101 HA GLU 46 HA GLU 46 18.857 14.847 0.358 1102 1HB GLU 46 HB2 GLU 46 15.909 15.439 0.746 1103 2HB GLU 46 HB1 GLU 46 17.196 16.642 0.818 1104 1HG GLU 46 HG2 GLU 46 16.622 14.882 -1.584 1105 2HG GLU 46 HG1 GLU 46 16.089 16.553 -1.420 1106 H ILE 47 HN ILE 47 17.873 12.586 2.386 1107 HA ILE 47 HA ILE 47 17.358 14.051 4.820 1108 HB ILE 47 HB ILE 47 18.628 11.310 4.578 1109 1HG1 ILE 47 HG12 ILE 47 16.617 11.276 3.238 1110 2HG1 ILE 47 HG11 ILE 47 16.257 10.481 4.768 1111 1HG2 ILE 47 HG23 ILE 47 17.067 12.738 6.742 1112 2HG2 ILE 47 HG22 ILE 47 17.349 10.997 6.756 1113 3HG2 ILE 47 HG21 ILE 47 18.713 12.111 6.832 1114 1HD1 ILE 47 HD11 ILE 47 15.457 12.841 5.544 1115 2HD1 ILE 47 HD13 ILE 47 15.409 13.212 3.821 1116 3HD1 ILE 47 HD12 ILE 47 14.413 11.909 4.472 1117 H LYS 48 HN LYS 48 18.887 15.658 5.135 1118 HA LYS 48 HA LYS 48 21.745 14.790 5.481 1119 1HB LYS 48 HB2 LYS 48 20.591 17.491 4.706 1120 2HB LYS 48 HB1 LYS 48 22.291 17.202 5.076 1121 1HG LYS 48 HG2 LYS 48 22.417 15.555 3.239 1122 2HG LYS 48 HG1 LYS 48 20.717 15.846 2.867 1123 1HD LYS 48 HD2 LYS 48 21.208 18.212 2.398 1124 2HD LYS 48 HD1 LYS 48 22.909 17.942 2.777 1125 1HE LYS 48 HE2 LYS 48 21.396 16.485 0.592 1126 2HE LYS 48 HE1 LYS 48 22.430 17.887 0.319 1127 1HZ LYS 48 HZ3 LYS 48 24.280 16.648 1.284 1128 2HZ LYS 48 HZ2 LYS 48 23.277 15.294 1.497 1129 3HZ LYS 48 HZ1 LYS 48 23.641 15.845 -0.067 1130 H GLU 49 HN GLU 49 18.981 16.454 6.842 1131 HA GLU 49 HA GLU 49 20.459 16.723 9.441 1132 1HB GLU 49 HB2 GLU 49 18.516 18.672 8.170 1133 2HB GLU 49 HB1 GLU 49 19.112 18.794 9.828 1134 1HG GLU 49 HG2 GLU 49 21.426 18.924 8.997 1135 2HG GLU 49 HG1 GLU 49 20.846 18.779 7.338 1136 H GLN 50 HN GLN 50 19.192 16.375 11.304 1137 HA GLN 50 HA GLN 50 17.018 14.495 11.003 1138 1HB GLN 50 HB2 GLN 50 18.112 15.997 13.396 1139 2HB GLN 50 HB1 GLN 50 16.811 14.810 13.513 1140 1HG GLN 50 HG2 GLN 50 18.996 13.771 13.995 1141 2HG GLN 50 HG1 GLN 50 18.286 13.093 12.530 1142 1HE2 GLN 50 HE22 GLN 50 21.104 13.943 10.626 1143 2HE2 GLN 50 HE21 GLN 50 19.795 12.895 10.891 1144 H GLU 51 HN GLU 51 17.227 17.954 11.335 1145 HA GLU 51 HA GLU 51 14.629 18.508 12.341 1146 1HB GLU 51 HB2 GLU 51 16.409 20.055 10.433 1147 2HB GLU 51 HB1 GLU 51 14.913 20.704 11.109 1148 1HG GLU 51 HG2 GLU 51 17.170 19.622 12.812 1149 2HG GLU 51 HG1 GLU 51 17.009 21.326 12.390 1150 H VAL 52 HN VAL 52 15.766 17.919 9.018 1151 HA VAL 52 HA VAL 52 13.238 18.472 7.763 1152 HB VAL 52 HB VAL 52 15.584 16.745 6.918 1153 1HG1 VAL 52 HG13 VAL 52 12.994 17.403 5.507 1154 2HG1 VAL 52 HG12 VAL 52 14.457 17.018 4.602 1155 3HG1 VAL 52 HG11 VAL 52 13.765 15.831 5.705 1156 1HG2 VAL 52 HG21 VAL 52 14.640 19.542 6.238 1157 2HG2 VAL 52 HG23 VAL 52 16.183 19.062 6.946 1158 3HG2 VAL 52 HG22 VAL 52 15.826 18.676 5.263 1159 H VAL 53 HN VAL 53 14.701 15.502 9.062 1160 HA VAL 53 HA VAL 53 12.670 13.701 8.202 1161 HB VAL 53 HB VAL 53 14.500 13.636 10.618 1162 1HG1 VAL 53 HG11 VAL 53 12.588 11.566 9.519 1163 2HG1 VAL 53 HG13 VAL 53 13.949 11.146 10.557 1164 3HG1 VAL 53 HG12 VAL 53 12.668 12.194 11.163 1165 1HG2 VAL 53 HG23 VAL 53 15.571 13.574 8.371 1166 2HG2 VAL 53 HG22 VAL 53 15.782 12.057 9.246 1167 3HG2 VAL 53 HG21 VAL 53 14.581 12.175 7.960 1168 H ASP 54 HN ASP 54 12.968 15.606 11.210 1169 HA ASP 54 HA ASP 54 10.619 14.603 12.462 1170 1HB ASP 54 HB2 ASP 54 12.285 16.001 13.646 1171 2HB ASP 54 HB1 ASP 54 11.818 17.385 12.657 1172 H LYS 55 HN LYS 55 11.061 17.359 10.239 1173 HA LYS 55 HA LYS 55 8.334 18.220 10.308 1174 1HB LYS 55 HB2 LYS 55 10.486 18.508 8.195 1175 2HB LYS 55 HB1 LYS 55 8.906 19.284 8.084 1176 1HG LYS 55 HG2 LYS 55 9.295 20.425 10.225 1177 2HG LYS 55 HG1 LYS 55 10.874 19.653 10.362 1178 1HD LYS 55 HD2 LYS 55 11.590 20.756 8.270 1179 2HD LYS 55 HD1 LYS 55 10.012 21.534 8.142 1180 1HE LYS 55 HE2 LYS 55 11.675 23.060 9.152 1181 2HE LYS 55 HE1 LYS 55 10.393 22.670 10.299 1182 1HZ LYS 55 HZ2 LYS 55 12.746 20.936 10.259 1183 2HZ LYS 55 HZ1 LYS 55 12.930 22.484 10.935 1184 3HZ LYS 55 HZ3 LYS 55 11.773 21.417 11.567 1185 H VAL 56 HN VAL 56 10.025 15.875 8.243 1186 HA VAL 56 HA VAL 56 7.885 15.376 6.434 1187 HB VAL 56 HB VAL 56 10.112 13.582 7.440 1188 1HG1 VAL 56 HG11 VAL 56 7.933 13.105 5.412 1189 2HG1 VAL 56 HG13 VAL 56 9.515 12.355 5.193 1190 3HG1 VAL 56 HG12 VAL 56 8.569 12.009 6.638 1191 1HG2 VAL 56 HG23 VAL 56 10.568 15.728 6.061 1192 2HG2 VAL 56 HG22 VAL 56 11.279 14.223 5.478 1193 3HG2 VAL 56 HG21 VAL 56 9.822 14.860 4.716 1194 H MET 57 HN MET 57 8.662 13.952 9.596 1195 HA MET 57 HA MET 57 6.603 11.958 9.571 1196 1HB MET 57 HB2 MET 57 8.001 13.384 11.853 1197 2HB MET 57 HB1 MET 57 6.912 12.014 12.074 1198 1HG MET 57 HG2 MET 57 8.347 10.617 10.653 1199 2HG MET 57 HG1 MET 57 9.423 11.985 10.373 1200 1HE MET 57 HE2 MET 57 7.601 9.891 12.766 1201 2HE MET 57 HE1 MET 57 9.004 8.830 12.739 1202 3HE MET 57 HE3 MET 57 8.589 9.709 14.214 1203 H GLU 58 HN GLU 58 6.652 15.323 10.727 1204 HA GLU 58 HA GLU 58 4.070 15.301 11.940 1205 1HB GLU 58 HB2 GLU 58 5.730 17.117 12.257 1206 2HB GLU 58 HB1 GLU 58 5.491 17.609 10.582 1207 1HG GLU 58 HG2 GLU 58 3.125 18.080 11.029 1208 2HG GLU 58 HG1 GLU 58 3.316 17.528 12.694 1209 H THR 59 HN THR 59 5.088 16.080 8.613 1210 HA THR 59 HA THR 59 2.490 16.812 7.666 1211 HB THR 59 HB THR 59 4.825 15.594 6.162 1212 HG1 THR 59 HG1 THR 59 5.574 17.575 6.053 1213 1HG2 THR 59 HG23 THR 59 2.373 17.093 5.199 1214 2HG2 THR 59 HG22 THR 59 3.776 16.727 4.195 1215 3HG2 THR 59 HG21 THR 59 2.792 15.417 4.845 1216 H LEU 60 HN LEU 60 4.237 13.702 7.460 1217 HA LEU 60 HA LEU 60 2.105 12.264 6.220 1218 1HB LEU 60 HB2 LEU 60 4.417 11.422 6.292 1219 2HB LEU 60 HB1 LEU 60 4.307 11.249 8.041 1220 HG LEU 60 HG LEU 60 2.464 9.607 7.753 1221 1HD1 LEU 60 HD12 LEU 60 2.902 10.300 4.852 1222 2HD1 LEU 60 HD11 LEU 60 2.326 8.691 5.289 1223 3HD1 LEU 60 HD13 LEU 60 1.385 10.114 5.732 1224 1HD2 LEU 60 HD21 LEU 60 5.106 9.145 6.373 1225 2HD2 LEU 60 HD23 LEU 60 4.598 8.617 7.977 1226 3HD2 LEU 60 HD22 LEU 60 3.923 7.849 6.539 1227 H ASP 61 HN ASP 61 3.059 12.478 9.656 1228 HA ASP 61 HA ASP 61 0.716 10.954 10.499 1229 1HB ASP 61 HB2 ASP 61 2.836 12.493 12.021 1230 2HB ASP 61 HB1 ASP 61 1.537 11.588 12.803 1231 H GLU 62 HN GLU 62 -1.239 11.947 10.303 1232 HA GLU 62 HA GLU 62 -1.593 14.802 10.441 1233 1HB GLU 62 HB2 GLU 62 -3.160 13.208 9.283 1234 2HB GLU 62 HB1 GLU 62 -3.695 12.660 10.872 1235 1HG GLU 62 HG2 GLU 62 -4.474 14.887 11.439 1236 2HG GLU 62 HG1 GLU 62 -3.797 15.547 9.948 1237 H ASP 63 HN ASP 63 -1.977 12.152 12.769 1238 HA ASP 63 HA ASP 63 -2.951 13.870 14.902 1239 1HB ASP 63 HB2 ASP 63 -2.474 11.889 16.348 1240 2HB ASP 63 HB1 ASP 63 -3.441 11.471 14.931 1241 H GLY 64 HN GLY 64 0.204 12.303 14.240 1242 1HA GLY 64 HA2 GLY 64 2.358 13.186 14.683 1243 2HA GLY 64 HA1 GLY 64 1.600 14.600 15.408 1244 H ASP 65 HN ASP 65 1.504 11.081 16.174 1245 HA ASP 65 HA ASP 65 1.616 11.717 19.034 1246 1HB ASP 65 HB2 ASP 65 1.390 9.345 19.395 1247 2HB ASP 65 HB1 ASP 65 0.312 9.775 18.068 1248 H GLY 66 HN GLY 66 3.903 11.510 16.610 1249 1HA GLY 66 HA2 GLY 66 6.249 11.618 16.734 1250 2HA GLY 66 HA1 GLY 66 6.104 11.609 18.492 1251 H GLU 67 HN GLU 67 4.514 9.044 16.822 1252 HA GLU 67 HA GLU 67 6.810 7.179 17.319 1253 1HB GLU 67 HB2 GLU 67 3.921 6.840 18.191 1254 2HB GLU 67 HB1 GLU 67 5.116 5.545 18.215 1255 1HG GLU 67 HG2 GLU 67 6.470 6.706 19.820 1256 2HG GLU 67 HG1 GLU 67 5.521 8.183 19.644 1257 H CYS 68 HN CYS 68 6.838 5.379 15.878 1258 HA CYS 68 HA CYS 68 4.999 5.642 13.518 1259 1HB CYS 68 HB2 CYS 68 7.590 4.103 13.503 1260 2HB CYS 68 HB1 CYS 68 6.734 4.849 12.155 1261 HG CYS 68 HG CYS 68 8.424 6.410 14.259 1262 H ASP 69 HN ASP 69 3.347 4.227 13.782 1263 HA ASP 69 HA ASP 69 3.876 1.533 14.946 1264 1HB ASP 69 HB2 ASP 69 1.321 3.043 14.335 1265 2HB ASP 69 HB1 ASP 69 1.349 1.367 14.883 1266 H PHE 70 HN PHE 70 2.559 -0.273 13.803 1267 HA PHE 70 HA PHE 70 3.515 -0.598 11.138 1268 1HB PHE 70 HB2 PHE 70 2.883 -2.530 12.493 1269 2HB PHE 70 HB1 PHE 70 1.217 -1.960 12.582 1270 HD1 PHE 70 HD1 PHE 70 -0.256 -2.035 10.624 1271 HD2 PHE 70 HD2 PHE 70 3.765 -3.534 10.445 1272 HE1 PHE 70 HE1 PHE 70 -0.786 -3.201 8.500 1273 HE2 PHE 70 HE2 PHE 70 3.234 -4.700 8.322 1274 HZ PHE 70 HZ PHE 70 0.960 -4.534 7.351 1275 H GLN 71 HN GLN 71 0.371 0.492 12.394 1276 HA GLN 71 HA GLN 71 -1.004 0.629 9.905 1277 1HB GLN 71 HB2 GLN 71 -2.128 0.876 12.096 1278 2HB GLN 71 HB1 GLN 71 -1.305 2.416 12.342 1279 1HG GLN 71 HG2 GLN 71 -2.422 3.365 10.381 1280 2HG GLN 71 HG1 GLN 71 -3.189 1.815 10.041 1281 1HE2 GLN 71 HE22 GLN 71 -5.657 3.836 11.958 1282 2HE2 GLN 71 HE21 GLN 71 -4.905 3.951 10.441 1283 H GLU 72 HN GLU 72 1.091 2.983 11.550 1284 HA GLU 72 HA GLU 72 0.702 5.063 9.586 1285 1HB GLU 72 HB2 GLU 72 2.892 4.624 11.630 1286 2HB GLU 72 HB1 GLU 72 2.747 6.072 10.633 1287 1HG GLU 72 HG2 GLU 72 0.459 6.440 11.527 1288 2HG GLU 72 HG1 GLU 72 0.658 5.028 12.566 1289 H PHE 73 HN PHE 73 3.043 2.426 9.910 1290 HA PHE 73 HA PHE 73 4.879 3.289 7.915 1291 1HB PHE 73 HB2 PHE 73 5.383 1.422 9.412 1292 2HB PHE 73 HB1 PHE 73 4.070 0.477 8.715 1293 HD1 PHE 73 HD1 PHE 73 7.440 1.877 8.120 1294 HD2 PHE 73 HD2 PHE 73 4.267 -0.539 6.522 1295 HE1 PHE 73 HE1 PHE 73 8.970 1.028 6.361 1296 HE2 PHE 73 HE2 PHE 73 5.795 -1.380 4.760 1297 HZ PHE 73 HZ PHE 73 8.146 -0.597 4.680 1298 H MET 74 HN MET 74 1.892 1.383 7.640 1299 HA MET 74 HA MET 74 2.082 0.818 4.853 1300 1HB MET 74 HB2 MET 74 0.370 -0.012 6.673 1301 2HB MET 74 HB1 MET 74 -0.558 1.409 6.202 1302 1HG MET 74 HG2 MET 74 0.415 -0.732 4.287 1303 2HG MET 74 HG1 MET 74 -1.223 -0.624 4.929 1304 1HE MET 74 HE2 MET 74 -1.018 -1.068 2.373 1305 2HE MET 74 HE1 MET 74 -1.759 0.175 1.369 1306 3HE MET 74 HE3 MET 74 -0.001 -0.024 1.382 1307 H ALA 75 HN ALA 75 0.800 3.600 6.628 1308 HA ALA 75 HA ALA 75 -0.328 5.025 4.448 1309 1HB ALA 75 HB1 ALA 75 -0.658 5.614 6.843 1310 2HB ALA 75 HB3 ALA 75 1.011 6.179 6.908 1311 3HB ALA 75 HB2 ALA 75 -0.157 6.999 5.873 1312 H PHE 76 HN PHE 76 3.028 4.930 5.634 1313 HA PHE 76 HA PHE 76 4.017 7.109 4.100 1314 1HB PHE 76 HB2 PHE 76 5.365 6.024 5.844 1315 2HB PHE 76 HB1 PHE 76 5.438 4.545 4.885 1316 HD1 PHE 76 HD1 PHE 76 6.659 4.517 2.713 1317 HD2 PHE 76 HD2 PHE 76 6.749 7.929 5.314 1318 HE1 PHE 76 HE1 PHE 76 8.616 5.410 1.478 1319 HE2 PHE 76 HE2 PHE 76 8.700 8.825 4.080 1320 HZ PHE 76 HZ PHE 76 9.634 7.567 2.161 1321 H VAL 77 HN VAL 77 3.676 3.665 3.240 1322 HA VAL 77 HA VAL 77 4.922 3.886 0.677 1323 HB VAL 77 HB VAL 77 2.756 1.994 1.634 1324 1HG1 VAL 77 HG11 VAL 77 4.517 2.029 -0.822 1325 2HG1 VAL 77 HG13 VAL 77 3.781 0.544 -0.219 1326 3HG1 VAL 77 HG12 VAL 77 2.761 1.885 -0.743 1327 1HG2 VAL 77 HG22 VAL 77 5.780 1.748 1.514 1328 2HG2 VAL 77 HG21 VAL 77 4.809 1.895 2.979 1329 3HG2 VAL 77 HG23 VAL 77 4.675 0.453 1.974 1330 H SER 78 HN SER 78 1.531 4.257 1.695 1331 HA SER 78 HA SER 78 0.412 4.585 -0.906 1332 1HB SER 78 HB2 SER 78 -1.486 5.619 0.235 1333 2HB SER 78 HB1 SER 78 -0.930 4.217 1.149 1334 HG SER 78 HG SER 78 -1.319 6.348 2.275 1335 H MET 79 HN MET 79 1.839 6.933 1.331 1336 HA MET 79 HA MET 79 1.139 9.295 -0.077 1337 1HB MET 79 HB2 MET 79 2.179 9.145 2.234 1338 2HB MET 79 HB1 MET 79 3.727 8.862 1.437 1339 1HG MET 79 HG2 MET 79 3.568 11.001 0.274 1340 2HG MET 79 HG1 MET 79 1.960 11.275 0.940 1341 1HE MET 79 HE3 MET 79 5.637 10.487 1.790 1342 2HE MET 79 HE2 MET 79 5.533 12.149 1.218 1343 3HE MET 79 HE1 MET 79 6.030 11.826 2.877 1344 H VAL 80 HN VAL 80 3.926 7.115 -0.498 1345 HA VAL 80 HA VAL 80 5.363 8.717 -2.356 1346 HB VAL 80 HB VAL 80 5.162 5.706 -2.071 1347 1HG1 VAL 80 HG13 VAL 80 6.916 7.435 -3.821 1348 2HG1 VAL 80 HG12 VAL 80 7.417 5.821 -3.318 1349 3HG1 VAL 80 HG11 VAL 80 5.955 6.031 -4.283 1350 1HG2 VAL 80 HG22 VAL 80 7.135 7.795 -1.106 1351 2HG2 VAL 80 HG21 VAL 80 6.098 6.771 -0.114 1352 3HG2 VAL 80 HG23 VAL 80 7.433 6.059 -1.021 1353 H THR 81 HN THR 81 2.755 6.343 -2.886 1354 HA THR 81 HA THR 81 2.845 6.469 -5.752 1355 HB THR 81 HB THR 81 0.489 5.575 -5.575 1356 HG1 THR 81 HG1 THR 81 0.907 6.477 -3.039 1357 1HG2 THR 81 HG21 THR 81 2.704 4.304 -3.956 1358 2HG2 THR 81 HG23 THR 81 1.214 3.468 -4.388 1359 3HG2 THR 81 HG22 THR 81 2.318 4.012 -5.652 1360 H THR 82 HN THR 82 0.997 8.319 -3.333 1361 HA THR 82 HA THR 82 -0.625 9.746 -5.208 1362 HB THR 82 HB THR 82 -0.884 11.394 -3.323 1363 HG1 THR 82 HG1 THR 82 0.140 10.342 -1.329 1364 1HG2 THR 82 HG22 THR 82 -2.304 9.382 -3.500 1365 2HG2 THR 82 HG21 THR 82 -1.114 8.466 -2.573 1366 3HG2 THR 82 HG23 THR 82 -1.989 9.798 -1.815 1367 H ALA 83 HN ALA 83 2.578 10.468 -3.819 1368 HA ALA 83 HA ALA 83 2.730 13.048 -5.184 1369 1HB ALA 83 HB2 ALA 83 4.785 11.378 -3.715 1370 2HB ALA 83 HB1 ALA 83 5.142 12.953 -4.423 1371 3HB ALA 83 HB3 ALA 83 3.961 12.818 -3.121 1372 H CYS 84 HN CYS 84 3.246 9.799 -6.070 1373 HA CYS 84 HA CYS 84 5.396 9.974 -7.901 1374 1HB CYS 84 HB2 CYS 84 4.102 7.891 -7.156 1375 2HB CYS 84 HB1 CYS 84 2.912 8.320 -8.384 1376 HG CYS 84 HG CYS 84 5.781 8.192 -9.461 1377 H HIS 85 HN HIS 85 5.354 10.182 -10.239 1378 HA HIS 85 HA HIS 85 3.464 12.267 -11.134 1379 1HB HIS 85 HB2 HIS 85 4.971 12.182 -13.218 1380 2HB HIS 85 HB1 HIS 85 5.723 12.717 -11.721 1381 HD1 HIS 85 HD1 HIS 85 7.115 10.854 -10.382 1382 HD2 HIS 85 HD2 HIS 85 6.127 9.884 -14.316 1383 HE1 HIS 85 HE1 HIS 85 8.617 8.922 -11.043 1384 HE2 HIS 85 HE2 HIS 85 8.025 8.326 -13.436 1385 H GLU 86 HN GLU 86 3.806 11.221 -14.012 1386 HA GLU 86 HA GLU 86 1.881 8.926 -13.849 1387 1HB GLU 86 HB2 GLU 86 0.733 11.094 -14.329 1388 2HB GLU 86 HB1 GLU 86 1.741 11.273 -15.764 1389 1HG GLU 86 HG2 GLU 86 -0.410 10.337 -16.414 1390 2HG GLU 86 HG1 GLU 86 0.832 9.107 -16.621 1391 H PHE 87 HN PHE 87 4.595 10.412 -15.503 1392 HA PHE 87 HA PHE 87 4.483 8.550 -17.760 1393 1HB PHE 87 HB2 PHE 87 6.303 10.760 -16.870 1394 2HB PHE 87 HB1 PHE 87 6.974 9.560 -17.972 1395 HD1 PHE 87 HD2 PHE 87 4.343 12.146 -17.566 1396 HD2 PHE 87 HD1 PHE 87 6.249 9.387 -20.248 1397 HE1 PHE 87 HE2 PHE 87 3.218 13.236 -19.489 1398 HE2 PHE 87 HE1 PHE 87 5.126 10.477 -22.171 1399 HZ PHE 87 HZ PHE 87 3.611 12.403 -21.791 1400 H PHE 88 HN PHE 88 4.378 6.669 -16.099 1401 HA PHE 88 HA PHE 88 6.855 5.258 -16.230 1402 1HB PHE 88 HB2 PHE 88 7.047 7.020 -14.193 1403 2HB PHE 88 HB1 PHE 88 6.216 5.730 -13.331 1404 HD1 PHE 88 HD2 PHE 88 9.134 6.353 -15.594 1405 HD2 PHE 88 HD1 PHE 88 7.451 3.895 -12.496 1406 HE1 PHE 88 HE2 PHE 88 11.277 5.122 -15.408 1407 HE2 PHE 88 HE1 PHE 88 9.597 2.661 -12.313 1408 HZ PHE 88 HZ PHE 88 11.510 3.276 -13.769 1409 H GLU 89 HN GLU 89 3.871 5.071 -16.569 1410 HA GLU 89 HA GLU 89 3.189 2.846 -14.721 1411 1HB GLU 89 HB2 GLU 89 1.550 4.381 -16.757 1412 2HB GLU 89 HB1 GLU 89 0.917 3.090 -15.736 1413 1HG GLU 89 HG2 GLU 89 1.551 4.374 -13.720 1414 2HG GLU 89 HG1 GLU 89 2.175 5.666 -14.745 1415 H HIS 90 HN HIS 90 4.868 3.008 -17.510 1416 HA HIS 90 HA HIS 90 3.511 0.698 -18.831 1417 1HB HIS 90 HB2 HIS 90 4.035 2.546 -20.303 1418 2HB HIS 90 HB1 HIS 90 5.707 2.572 -19.747 1419 HD1 HIS 90 HD1 HIS 90 3.452 -0.242 -21.009 1420 HD2 HIS 90 HD2 HIS 90 7.224 1.386 -21.729 1421 HE1 HIS 90 HE1 HIS 90 4.509 -1.661 -22.821 1422 HE2 HIS 90 HE2 HIS 90 6.806 -0.680 -23.266 1423 H GLU 91 HN GLU 91 5.864 1.115 -16.504 1424 HA GLU 91 HA GLU 91 7.723 -0.164 -15.815 1425 1HB GLU 91 HB2 GLU 91 5.893 -1.805 -15.471 1426 2HB GLU 91 HB1 GLU 91 6.093 -2.366 -17.133 1427 1HG GLU 91 HG2 GLU 91 8.403 -3.059 -16.647 1428 2HG GLU 91 HG1 GLU 91 8.258 -2.444 -15.001 No H/Q in entry = 1428 Start of MODEL 9 1 1H MET 0 HT2 MET 0 17.295 -8.244 -4.663 2 2H MET 0 HT1 MET 0 16.749 -8.088 -6.265 3 3H MET 0 HT3 MET 0 18.404 -7.959 -5.918 4 HA MET 0 HA MET 0 18.251 -5.849 -5.138 5 1HB MET 0 HB2 MET 0 15.829 -6.165 -6.939 6 2HB MET 0 HB1 MET 0 16.536 -4.614 -6.486 7 1HG MET 0 HG2 MET 0 18.638 -5.195 -7.539 8 2HG MET 0 HG1 MET 0 18.075 -6.836 -7.855 9 1HE MET 0 HE2 MET 0 18.432 -6.975 -10.274 10 2HE MET 0 HE1 MET 0 18.092 -5.707 -11.448 11 3HE MET 0 HE3 MET 0 19.292 -5.440 -10.175 12 H SER 1 HN SER 1 16.114 -4.116 -4.701 13 HA SER 1 HA SER 1 15.122 -5.135 -2.113 14 1HB SER 1 HB2 SER 1 15.862 -2.901 -1.960 15 2HB SER 1 HB1 SER 1 15.114 -2.452 -3.490 16 HG SER 1 HG SER 1 14.082 -1.983 -1.249 17 H GLU 2 HN GLU 2 13.363 -6.440 -2.298 18 HA GLU 2 HA GLU 2 11.463 -6.398 -4.413 19 1HB GLU 2 HB2 GLU 2 11.815 -8.294 -2.810 20 2HB GLU 2 HB1 GLU 2 10.989 -7.342 -1.574 21 1HG GLU 2 HG2 GLU 2 8.971 -7.243 -2.957 22 2HG GLU 2 HG1 GLU 2 9.789 -8.125 -4.247 23 H LEU 3 HN LEU 3 11.443 -4.789 -1.240 24 HA LEU 3 HA LEU 3 8.792 -3.822 -1.266 25 1HB LEU 3 HB2 LEU 3 10.658 -3.627 0.547 26 2HB LEU 3 HB1 LEU 3 11.103 -2.139 -0.282 27 HG LEU 3 HG LEU 3 8.316 -2.747 0.755 28 1HD1 LEU 3 HD12 LEU 3 10.120 -2.516 2.528 29 2HD1 LEU 3 HD11 LEU 3 10.366 -0.868 1.949 30 3HD1 LEU 3 HD13 LEU 3 8.811 -1.339 2.634 31 1HD2 LEU 3 HD21 LEU 3 9.603 -0.394 -0.624 32 2HD2 LEU 3 HD23 LEU 3 8.016 -1.114 -0.891 33 3HD2 LEU 3 HD22 LEU 3 8.297 -0.110 0.526 34 H GLU 4 HN GLU 4 11.738 -2.202 -2.531 35 HA GLU 4 HA GLU 4 10.375 0.049 -3.630 36 1HB GLU 4 HB2 GLU 4 12.869 -0.169 -3.362 37 2HB GLU 4 HB1 GLU 4 12.868 -1.276 -4.736 38 1HG GLU 4 HG2 GLU 4 11.912 0.470 -6.172 39 2HG GLU 4 HG1 GLU 4 11.852 1.581 -4.803 40 H LYS 5 HN LYS 5 11.207 -3.107 -5.038 41 HA LYS 5 HA LYS 5 10.180 -2.622 -7.652 42 1HB LYS 5 HB2 LYS 5 11.600 -4.592 -6.961 43 2HB LYS 5 HB1 LYS 5 10.166 -5.278 -6.195 44 1HG LYS 5 HG2 LYS 5 8.979 -5.137 -8.393 45 2HG LYS 5 HG1 LYS 5 10.481 -4.583 -9.130 46 1HD LYS 5 HD2 LYS 5 11.595 -6.675 -8.410 47 2HD LYS 5 HD1 LYS 5 10.072 -7.233 -7.718 48 1HE LYS 5 HE2 LYS 5 10.415 -8.183 -9.970 49 2HE LYS 5 HE1 LYS 5 9.011 -7.114 -9.942 50 1HZ LYS 5 HZ3 LYS 5 11.312 -5.602 -10.502 51 2HZ LYS 5 HZ2 LYS 5 11.268 -6.930 -11.561 52 3HZ LYS 5 HZ1 LYS 5 9.953 -5.858 -11.481 53 H ALA 6 HN ALA 6 8.612 -3.826 -4.699 54 HA ALA 6 HA ALA 6 6.128 -4.552 -5.858 55 1HB ALA 6 HB1 ALA 6 6.771 -5.108 -3.535 56 2HB ALA 6 HB3 ALA 6 6.638 -3.405 -3.097 57 3HB ALA 6 HB2 ALA 6 5.203 -4.303 -3.591 58 H MET 7 HN MET 7 7.201 -1.374 -4.581 59 HA MET 7 HA MET 7 4.676 -0.081 -4.981 60 1HB MET 7 HB2 MET 7 7.497 1.028 -4.983 61 2HB MET 7 HB1 MET 7 6.061 2.044 -5.090 62 1HG MET 7 HG2 MET 7 5.307 0.745 -2.929 63 2HG MET 7 HG1 MET 7 7.023 0.366 -2.784 64 1HE MET 7 HE1 MET 7 8.883 2.012 -2.775 65 2HE MET 7 HE3 MET 7 8.351 3.028 -4.123 66 3HE MET 7 HE2 MET 7 8.761 3.758 -2.573 67 H VAL 8 HN VAL 8 7.458 -0.570 -7.134 68 HA VAL 8 HA VAL 8 6.373 0.989 -9.307 69 HB VAL 8 HB VAL 8 8.410 -1.260 -9.241 70 1HG1 VAL 8 HG13 VAL 8 7.451 0.495 -11.509 71 2HG1 VAL 8 HG12 VAL 8 9.026 -0.297 -11.534 72 3HG1 VAL 8 HG11 VAL 8 7.554 -1.266 -11.465 73 1HG2 VAL 8 HG21 VAL 8 8.581 1.763 -9.337 74 2HG2 VAL 8 HG23 VAL 8 9.235 0.682 -8.107 75 3HG2 VAL 8 HG22 VAL 8 9.950 0.719 -9.718 76 H ALA 9 HN ALA 9 6.227 -2.432 -8.404 77 HA ALA 9 HA ALA 9 4.875 -3.384 -10.724 78 1HB ALA 9 HB3 ALA 9 5.921 -4.868 -9.041 79 2HB ALA 9 HB2 ALA 9 4.683 -4.403 -7.875 80 3HB ALA 9 HB1 ALA 9 4.235 -5.301 -9.325 81 H LEU 10 HN LEU 10 3.628 -2.017 -7.686 82 HA LEU 10 HA LEU 10 0.883 -2.552 -8.167 83 1HB LEU 10 HB2 LEU 10 2.142 -1.560 -6.067 84 2HB LEU 10 HB1 LEU 10 1.791 -0.009 -6.814 85 HG LEU 10 HG LEU 10 -0.004 -0.349 -5.336 86 1HD1 LEU 10 HD12 LEU 10 -0.715 0.191 -7.697 87 2HD1 LEU 10 HD11 LEU 10 -1.122 -1.514 -7.894 88 3HD1 LEU 10 HD13 LEU 10 -1.957 -0.540 -6.689 89 1HD2 LEU 10 HD23 LEU 10 0.249 -3.237 -6.117 90 2HD2 LEU 10 HD22 LEU 10 0.114 -2.510 -4.523 91 3HD2 LEU 10 HD21 LEU 10 -1.314 -2.656 -5.544 92 H ILE 11 HN ILE 11 2.894 0.241 -9.114 93 HA ILE 11 HA ILE 11 0.723 1.645 -10.401 94 HB ILE 11 HB ILE 11 3.729 1.830 -10.774 95 1HG1 ILE 11 HG12 ILE 11 1.819 3.693 -9.334 96 2HG1 ILE 11 HG11 ILE 11 2.731 2.423 -8.518 97 1HG2 ILE 11 HG21 ILE 11 1.458 3.520 -11.850 98 2HG2 ILE 11 HG23 ILE 11 3.122 4.100 -11.762 99 3HG2 ILE 11 HG22 ILE 11 2.726 2.709 -12.769 100 1HD1 ILE 11 HD13 ILE 11 4.842 3.420 -9.345 101 2HD1 ILE 11 HD12 ILE 11 3.920 4.706 -10.124 102 3HD1 ILE 11 HD11 ILE 11 3.928 4.568 -8.366 103 H ASP 12 HN ASP 12 3.220 -0.611 -11.567 104 HA ASP 12 HA ASP 12 2.556 -0.408 -14.346 105 1HB ASP 12 HB2 ASP 12 4.657 -1.419 -13.531 106 2HB ASP 12 HB1 ASP 12 3.741 -2.749 -12.825 107 H VAL 13 HN VAL 13 1.547 -2.817 -11.894 108 HA VAL 13 HA VAL 13 -0.143 -4.296 -13.649 109 HB VAL 13 HB VAL 13 -0.203 -3.920 -10.643 110 1HG1 VAL 13 HG11 VAL 13 -1.901 -5.635 -12.458 111 2HG1 VAL 13 HG13 VAL 13 -1.582 -6.112 -10.790 112 3HG1 VAL 13 HG12 VAL 13 -2.415 -4.596 -11.128 113 1HG2 VAL 13 HG23 VAL 13 1.756 -5.072 -11.840 114 2HG2 VAL 13 HG22 VAL 13 0.959 -6.002 -10.572 115 3HG2 VAL 13 HG21 VAL 13 0.608 -6.340 -12.267 116 H PHE 14 HN PHE 14 -0.817 -1.503 -11.558 117 HA PHE 14 HA PHE 14 -3.634 -1.431 -11.927 118 1HB PHE 14 HB2 PHE 14 -2.453 -0.059 -10.252 119 2HB PHE 14 HB1 PHE 14 -1.709 0.882 -11.544 120 HD1 PHE 14 HD1 PHE 14 -4.833 0.150 -9.740 121 HD2 PHE 14 HD2 PHE 14 -3.023 2.458 -12.880 122 HE1 PHE 14 HE1 PHE 14 -6.825 1.625 -9.805 123 HE2 PHE 14 HE2 PHE 14 -5.018 3.930 -12.948 124 HZ PHE 14 HZ PHE 14 -6.919 3.514 -11.409 125 H HIS 15 HN HIS 15 -1.018 0.054 -13.859 126 HA HIS 15 HA HIS 15 -2.687 1.496 -15.647 127 1HB HIS 15 HB2 HIS 15 -0.209 1.760 -15.489 128 2HB HIS 15 HB1 HIS 15 -0.024 0.206 -16.303 129 HD1 HIS 15 HD1 HIS 15 -2.875 2.270 -17.434 130 HD2 HIS 15 HD2 HIS 15 1.107 1.718 -18.550 131 HE1 HIS 15 HE1 HIS 15 -2.621 3.314 -19.731 132 HE2 HIS 15 HE2 HIS 15 -0.201 2.985 -20.417 133 H GLN 16 HN GLN 16 -1.323 -1.807 -16.037 134 HA GLN 16 HA GLN 16 -2.686 -2.269 -18.533 135 1HB GLN 16 HB2 GLN 16 -1.597 -4.216 -16.474 136 2HB GLN 16 HB1 GLN 16 -2.210 -4.691 -18.057 137 1HG GLN 16 HG2 GLN 16 -0.528 -3.245 -19.146 138 2HG GLN 16 HG1 GLN 16 0.090 -2.779 -17.562 139 1HE2 GLN 16 HE22 GLN 16 0.511 -6.799 -18.072 140 2HE2 GLN 16 HE21 GLN 16 -1.026 -6.078 -18.089 141 H TYR 17 HN TYR 17 -3.486 -2.946 -15.152 142 HA TYR 17 HA TYR 17 -5.921 -4.365 -15.733 143 1HB TYR 17 HB2 TYR 17 -4.906 -4.674 -13.570 144 2HB TYR 17 HB1 TYR 17 -4.933 -2.943 -13.247 145 HD1 TYR 17 HD1 TYR 17 -7.445 -5.499 -14.425 146 HD2 TYR 17 HD2 TYR 17 -6.542 -2.328 -11.665 147 HE1 TYR 17 HE1 TYR 17 -9.701 -5.720 -13.431 148 HE2 TYR 17 HE2 TYR 17 -8.801 -2.554 -10.672 149 HH TYR 17 HH TYR 17 -10.570 -4.199 -10.483 150 H SER 18 HN SER 18 -5.141 -0.945 -15.301 151 HA SER 18 HA SER 18 -7.794 0.016 -14.940 152 1HB SER 18 HB2 SER 18 -5.483 1.336 -16.394 153 2HB SER 18 HB1 SER 18 -6.930 2.159 -15.819 154 HG SER 18 HG SER 18 -5.911 2.316 -13.996 155 H GLY 19 HN GLY 19 -5.941 -0.521 -17.945 156 1HA GLY 19 HA2 GLY 19 -8.241 0.191 -19.617 157 2HA GLY 19 HA1 GLY 19 -6.671 -0.351 -20.192 158 H ARG 20 HN ARG 20 -8.238 -2.362 -17.794 159 HA ARG 20 HA ARG 20 -8.161 -4.622 -19.521 160 1HB ARG 20 HB2 ARG 20 -8.775 -4.180 -16.809 161 2HB ARG 20 HB1 ARG 20 -10.241 -4.886 -17.453 162 1HG ARG 20 HG2 ARG 20 -7.513 -6.120 -17.940 163 2HG ARG 20 HG1 ARG 20 -8.488 -6.509 -16.528 164 1HD ARG 20 HD2 ARG 20 -10.297 -7.322 -17.892 165 2HD ARG 20 HD1 ARG 20 -9.508 -6.751 -19.366 166 HE ARG 20 HE ARG 20 -7.647 -8.480 -18.335 167 1HH1 ARG 20 HH21 ARG 20 -11.039 -8.623 -18.932 168 2HH1 ARG 20 HH22 ARG 20 -11.041 -10.318 -19.290 169 1HH2 ARG 20 HH11 ARG 20 -7.628 -10.693 -18.804 170 2HH2 ARG 20 HH12 ARG 20 -9.109 -11.489 -19.219 171 H GLU 21 HN GLU 21 -10.851 -2.390 -18.810 172 HA GLU 21 HA GLU 21 -12.380 -3.694 -21.045 173 1HB GLU 21 HB2 GLU 21 -13.198 -3.635 -18.457 174 2HB GLU 21 HB1 GLU 21 -13.864 -2.097 -18.994 175 1HG GLU 21 HG2 GLU 21 -14.992 -3.276 -20.881 176 2HG GLU 21 HG1 GLU 21 -14.358 -4.805 -20.279 177 H GLY 22 HN GLY 22 -14.374 -1.649 -21.151 178 1HA GLY 22 HA2 GLY 22 -13.198 0.143 -23.003 179 2HA GLY 22 HA1 GLY 22 -14.778 0.367 -22.261 180 H ASP 23 HN ASP 23 -13.901 0.583 -19.534 181 HA ASP 23 HA ASP 23 -13.399 3.346 -19.351 182 1HB ASP 23 HB2 ASP 23 -12.658 2.849 -17.000 183 2HB ASP 23 HB1 ASP 23 -14.218 2.149 -17.428 184 H LYS 24 HN LYS 24 -11.579 4.592 -19.299 185 HA LYS 24 HA LYS 24 -9.069 3.348 -20.222 186 1HB LYS 24 HB2 LYS 24 -9.921 5.352 -21.345 187 2HB LYS 24 HB1 LYS 24 -9.863 6.245 -19.829 188 1HG LYS 24 HG2 LYS 24 -7.412 5.942 -19.738 189 2HG LYS 24 HG1 LYS 24 -7.470 5.039 -21.254 190 1HD LYS 24 HD2 LYS 24 -8.408 7.004 -22.398 191 2HD LYS 24 HD1 LYS 24 -8.378 7.909 -20.885 192 1HE LYS 24 HE2 LYS 24 -5.913 7.614 -20.786 193 2HE LYS 24 HE1 LYS 24 -5.968 6.780 -22.339 194 1HZ LYS 24 HZ3 LYS 24 -7.366 9.265 -22.413 195 2HZ LYS 24 HZ2 LYS 24 -5.744 9.479 -21.951 196 3HZ LYS 24 HZ1 LYS 24 -6.118 8.702 -23.415 197 H HIS 25 HN HIS 25 -9.352 6.120 -18.011 198 HA HIS 25 HA HIS 25 -7.289 4.835 -16.269 199 1HB HIS 25 HB2 HIS 25 -6.756 7.089 -15.520 200 2HB HIS 25 HB1 HIS 25 -6.737 7.036 -17.282 201 HD1 HIS 25 HD1 HIS 25 -8.469 8.596 -14.400 202 HD2 HIS 25 HD2 HIS 25 -9.068 8.275 -18.515 203 HE1 HIS 25 HE1 HIS 25 -10.227 10.319 -15.006 204 HE2 HIS 25 HE2 HIS 25 -10.597 10.133 -17.508 205 H LYS 26 HN LYS 26 -10.279 4.378 -16.123 206 HA LYS 26 HA LYS 26 -10.536 4.984 -13.207 207 1HB LYS 26 HB2 LYS 26 -12.938 5.520 -13.538 208 2HB LYS 26 HB1 LYS 26 -11.894 6.671 -14.369 209 1HG LYS 26 HG2 LYS 26 -12.181 5.127 -16.434 210 2HG LYS 26 HG1 LYS 26 -13.541 4.436 -15.547 211 1HD LYS 26 HD2 LYS 26 -13.205 7.379 -16.202 212 2HD LYS 26 HD1 LYS 26 -14.270 6.265 -17.057 213 1HE LYS 26 HE2 LYS 26 -15.270 5.787 -14.686 214 2HE LYS 26 HE1 LYS 26 -14.501 7.312 -14.244 215 1HZ LYS 26 HZ2 LYS 26 -15.684 8.004 -16.518 216 2HZ LYS 26 HZ1 LYS 26 -16.773 6.813 -15.983 217 3HZ LYS 26 HZ3 LYS 26 -16.432 8.152 -14.999 218 H LEU 27 HN LEU 27 -11.864 3.401 -12.094 219 HA LEU 27 HA LEU 27 -11.978 0.799 -13.570 220 1HB LEU 27 HB2 LEU 27 -12.032 1.369 -10.597 221 2HB LEU 27 HB1 LEU 27 -11.970 -0.227 -11.339 222 HG LEU 27 HG LEU 27 -9.862 1.941 -11.603 223 1HD1 LEU 27 HD13 LEU 27 -10.068 -0.586 -9.962 224 2HD1 LEU 27 HD12 LEU 27 -8.502 0.102 -10.387 225 3HD1 LEU 27 HD11 LEU 27 -9.646 1.041 -9.430 226 1HD2 LEU 27 HD22 LEU 27 -10.227 -0.757 -12.898 227 2HD2 LEU 27 HD21 LEU 27 -9.662 0.755 -13.611 228 3HD2 LEU 27 HD23 LEU 27 -8.595 -0.176 -12.562 229 H LYS 28 HN LYS 28 -13.863 -0.264 -13.844 230 HA LYS 28 HA LYS 28 -16.364 1.118 -13.047 231 1HB LYS 28 HB2 LYS 28 -15.815 0.148 -15.408 232 2HB LYS 28 HB1 LYS 28 -16.186 -1.418 -14.690 233 1HG LYS 28 HG2 LYS 28 -18.389 -0.359 -13.903 234 2HG LYS 28 HG1 LYS 28 -18.015 0.972 -14.994 235 1HD LYS 28 HD2 LYS 28 -18.162 -1.935 -15.846 236 2HD LYS 28 HD1 LYS 28 -19.481 -0.781 -16.030 237 1HE LYS 28 HE2 LYS 28 -17.847 0.685 -17.332 238 2HE LYS 28 HE1 LYS 28 -16.760 -0.704 -17.350 239 1HZ LYS 28 HZ1 LYS 28 -19.563 -0.930 -18.250 240 2HZ LYS 28 HZ3 LYS 28 -18.334 -0.424 -19.305 241 3HZ LYS 28 HZ2 LYS 28 -18.255 -1.961 -18.584 242 H LYS 29 HN LYS 29 -18.141 -0.292 -12.132 243 HA LYS 29 HA LYS 29 -17.294 -1.627 -9.772 244 1HB LYS 29 HB2 LYS 29 -19.896 -1.879 -11.311 245 2HB LYS 29 HB1 LYS 29 -19.644 -2.448 -9.661 246 1HG LYS 29 HG2 LYS 29 -19.107 -0.148 -8.949 247 2HG LYS 29 HG1 LYS 29 -19.366 0.422 -10.598 248 1HD LYS 29 HD2 LYS 29 -21.703 -0.365 -10.509 249 2HD LYS 29 HD1 LYS 29 -21.449 -0.930 -8.858 250 1HE LYS 29 HE2 LYS 29 -20.996 1.943 -9.690 251 2HE LYS 29 HE1 LYS 29 -22.538 1.360 -9.066 252 1HZ LYS 29 HZ2 LYS 29 -20.003 0.918 -7.612 253 2HZ LYS 29 HZ1 LYS 29 -20.912 2.339 -7.407 254 3HZ LYS 29 HZ3 LYS 29 -21.592 0.835 -7.015 255 H SER 30 HN SER 30 -18.249 -2.920 -12.950 256 HA SER 30 HA SER 30 -18.181 -5.678 -12.266 257 1HB SER 30 HB2 SER 30 -17.615 -4.275 -14.886 258 2HB SER 30 HB1 SER 30 -17.784 -6.021 -14.726 259 HG SER 30 HG SER 30 -19.804 -5.379 -15.145 260 H GLU 31 HN GLU 31 -15.575 -3.529 -13.395 261 HA GLU 31 HA GLU 31 -13.594 -5.541 -13.713 262 1HB GLU 31 HB2 GLU 31 -13.369 -2.604 -13.036 263 2HB GLU 31 HB1 GLU 31 -11.959 -3.632 -13.302 264 1HG GLU 31 HG2 GLU 31 -12.813 -4.231 -15.540 265 2HG GLU 31 HG1 GLU 31 -14.221 -3.203 -15.279 266 H LEU 32 HN LEU 32 -14.559 -3.710 -10.817 267 HA LEU 32 HA LEU 32 -12.466 -4.628 -9.123 268 1HB LEU 32 HB2 LEU 32 -14.062 -2.823 -8.498 269 2HB LEU 32 HB1 LEU 32 -15.352 -4.014 -8.410 270 HG LEU 32 HG LEU 32 -13.999 -5.224 -6.629 271 1HD1 LEU 32 HD13 LEU 32 -12.288 -2.762 -7.013 272 2HD1 LEU 32 HD12 LEU 32 -12.321 -3.611 -5.469 273 3HD1 LEU 32 HD11 LEU 32 -11.781 -4.448 -6.920 274 1HD2 LEU 32 HD23 LEU 32 -15.884 -3.530 -6.213 275 2HD2 LEU 32 HD22 LEU 32 -14.774 -3.810 -4.874 276 3HD2 LEU 32 HD21 LEU 32 -14.610 -2.362 -5.866 277 H LYS 33 HN LYS 33 -15.719 -5.984 -9.713 278 HA LYS 33 HA LYS 33 -15.448 -8.268 -8.034 279 1HB LYS 33 HB2 LYS 33 -17.588 -7.508 -9.072 280 2HB LYS 33 HB1 LYS 33 -16.988 -8.041 -10.639 281 1HG LYS 33 HG2 LYS 33 -16.784 -10.348 -9.782 282 2HG LYS 33 HG1 LYS 33 -17.387 -9.815 -8.211 283 1HD LYS 33 HD2 LYS 33 -19.505 -9.122 -9.231 284 2HD LYS 33 HD1 LYS 33 -18.908 -9.589 -10.824 285 1HE LYS 33 HE2 LYS 33 -18.696 -11.922 -10.076 286 2HE LYS 33 HE1 LYS 33 -19.260 -11.466 -8.468 287 1HZ LYS 33 HZ3 LYS 33 -21.233 -10.481 -9.861 288 2HZ LYS 33 HZ2 LYS 33 -20.750 -11.668 -10.978 289 3HZ LYS 33 HZ1 LYS 33 -21.211 -12.114 -9.405 290 H GLU 34 HN GLU 34 -14.647 -7.791 -11.480 291 HA GLU 34 HA GLU 34 -13.822 -10.478 -11.995 292 1HB GLU 34 HB2 GLU 34 -14.246 -8.696 -13.735 293 2HB GLU 34 HB1 GLU 34 -12.700 -7.976 -13.282 294 1HG GLU 34 HG2 GLU 34 -11.550 -10.092 -13.834 295 2HG GLU 34 HG1 GLU 34 -13.095 -10.806 -14.292 296 H LEU 35 HN LEU 35 -12.034 -7.641 -10.807 297 HA LEU 35 HA LEU 35 -9.437 -8.797 -10.879 298 1HB LEU 35 HB2 LEU 35 -9.890 -6.379 -10.444 299 2HB LEU 35 HB1 LEU 35 -10.554 -6.806 -8.872 300 HG LEU 35 HG LEU 35 -8.292 -7.875 -8.339 301 1HD1 LEU 35 HD13 LEU 35 -7.627 -6.459 -10.930 302 2HD1 LEU 35 HD12 LEU 35 -6.400 -6.806 -9.715 303 3HD1 LEU 35 HD11 LEU 35 -7.274 -8.127 -10.479 304 1HD2 LEU 35 HD21 LEU 35 -8.638 -4.910 -8.816 305 2HD2 LEU 35 HD23 LEU 35 -8.792 -5.798 -7.299 306 3HD2 LEU 35 HD22 LEU 35 -7.204 -5.566 -8.027 307 H ILE 36 HN ILE 36 -11.956 -8.843 -8.364 308 HA ILE 36 HA ILE 36 -10.466 -10.289 -6.406 309 HB ILE 36 HB ILE 36 -13.447 -10.164 -6.950 310 1HG1 ILE 36 HG12 ILE 36 -11.783 -8.852 -4.778 311 2HG1 ILE 36 HG11 ILE 36 -12.193 -8.052 -6.296 312 1HG2 ILE 36 HG22 ILE 36 -11.867 -11.433 -4.705 313 2HG2 ILE 36 HG21 ILE 36 -13.547 -10.935 -4.497 314 3HG2 ILE 36 HG23 ILE 36 -13.131 -12.164 -5.694 315 1HD1 ILE 36 HD12 ILE 36 -14.301 -9.249 -4.487 316 2HD1 ILE 36 HD11 ILE 36 -13.752 -7.583 -4.320 317 3HD1 ILE 36 HD13 ILE 36 -14.528 -8.110 -5.813 318 H ASN 37 HN ASN 37 -12.632 -11.411 -9.002 319 HA ASN 37 HA ASN 37 -12.535 -14.181 -8.406 320 1HB ASN 37 HB2 ASN 37 -12.924 -12.707 -11.015 321 2HB ASN 37 HB1 ASN 37 -13.068 -14.460 -10.876 322 1HD2 ASN 37 HD22 ASN 37 -16.098 -14.305 -8.946 323 2HD2 ASN 37 HD21 ASN 37 -14.713 -15.251 -9.210 324 H ASN 38 HN ASN 38 -10.338 -12.218 -10.418 325 HA ASN 38 HA ASN 38 -8.845 -14.121 -11.723 326 1HB ASN 38 HB2 ASN 38 -7.922 -11.641 -10.269 327 2HB ASN 38 HB1 ASN 38 -6.800 -12.639 -11.194 328 1HD2 ASN 38 HD22 ASN 38 -8.490 -11.902 -14.346 329 2HD2 ASN 38 HD21 ASN 38 -7.820 -13.226 -13.522 330 H GLU 39 HN GLU 39 -7.321 -12.938 -8.721 331 HA GLU 39 HA GLU 39 -7.063 -15.751 -7.773 332 1HB GLU 39 HB2 GLU 39 -4.729 -13.897 -8.319 333 2HB GLU 39 HB1 GLU 39 -4.610 -15.398 -7.400 334 1HG GLU 39 HG2 GLU 39 -5.460 -16.653 -9.361 335 2HG GLU 39 HG1 GLU 39 -5.526 -15.150 -10.281 336 H LEU 40 HN LEU 40 -7.761 -12.581 -7.084 337 HA LEU 40 HA LEU 40 -6.613 -12.558 -4.366 338 1HB LEU 40 HB2 LEU 40 -8.200 -10.645 -6.057 339 2HB LEU 40 HB1 LEU 40 -8.224 -10.423 -4.310 340 HG LEU 40 HG LEU 40 -5.701 -10.432 -4.351 341 1HD1 LEU 40 HD13 LEU 40 -6.217 -10.390 -7.339 342 2HD1 LEU 40 HD12 LEU 40 -4.668 -9.988 -6.599 343 3HD1 LEU 40 HD11 LEU 40 -5.327 -11.617 -6.439 344 1HD2 LEU 40 HD23 LEU 40 -7.048 -8.336 -4.335 345 2HD2 LEU 40 HD22 LEU 40 -5.526 -8.143 -5.203 346 3HD2 LEU 40 HD21 LEU 40 -7.032 -8.339 -6.099 347 H SER 41 HN SER 41 -9.274 -13.973 -5.835 348 HA SER 41 HA SER 41 -11.287 -13.574 -3.815 349 1HB SER 41 HB2 SER 41 -12.347 -15.590 -4.791 350 2HB SER 41 HB1 SER 41 -11.855 -14.455 -6.041 351 HG SER 41 HG SER 41 -9.878 -15.737 -6.163 352 H HIS 42 HN HIS 42 -8.724 -16.006 -4.250 353 HA HIS 42 HA HIS 42 -9.501 -17.694 -2.084 354 1HB HIS 42 HB2 HIS 42 -6.796 -17.132 -3.323 355 2HB HIS 42 HB1 HIS 42 -7.052 -18.362 -2.086 356 HD1 HIS 42 HD1 HIS 42 -7.606 -17.640 -5.697 357 HD2 HIS 42 HD2 HIS 42 -8.705 -20.575 -2.943 358 HE1 HIS 42 HE1 HIS 42 -8.512 -19.588 -7.044 359 HE2 HIS 42 HE2 HIS 42 -9.181 -21.378 -5.377 360 H PHE 43 HN PHE 43 -7.412 -14.816 -2.188 361 HA PHE 43 HA PHE 43 -6.635 -14.999 0.585 362 1HB PHE 43 HB2 PHE 43 -5.497 -13.643 -1.293 363 2HB PHE 43 HB1 PHE 43 -6.745 -12.429 -1.004 364 HD1 PHE 43 HD2 PHE 43 -3.901 -14.257 0.496 365 HD2 PHE 43 HD1 PHE 43 -6.747 -11.080 1.011 366 HE1 PHE 43 HE2 PHE 43 -2.621 -13.429 2.450 367 HE2 PHE 43 HE1 PHE 43 -5.466 -10.253 2.969 368 HZ PHE 43 HZ PHE 43 -3.402 -11.427 3.687 369 H LEU 44 HN LEU 44 -9.236 -13.272 -1.118 370 HA LEU 44 HA LEU 44 -10.273 -12.261 1.487 371 1HB LEU 44 HB2 LEU 44 -10.907 -11.626 -1.400 372 2HB LEU 44 HB1 LEU 44 -11.901 -11.034 -0.074 373 HG LEU 44 HG LEU 44 -8.909 -10.594 -0.076 374 1HD1 LEU 44 HD13 LEU 44 -11.034 -8.902 -1.425 375 2HD1 LEU 44 HD12 LEU 44 -9.400 -8.340 -1.076 376 3HD1 LEU 44 HD11 LEU 44 -9.651 -9.678 -2.196 377 1HD2 LEU 44 HD23 LEU 44 -11.300 -9.239 1.219 378 2HD2 LEU 44 HD22 LEU 44 -9.965 -10.062 2.024 379 3HD2 LEU 44 HD21 LEU 44 -9.692 -8.530 1.208 380 H GLU 45 HN GLU 45 -12.054 -13.116 2.419 381 HA GLU 45 HA GLU 45 -13.364 -15.424 1.111 382 1HB GLU 45 HB2 GLU 45 -12.592 -15.218 3.617 383 2HB GLU 45 HB1 GLU 45 -14.097 -14.328 3.829 384 1HG GLU 45 HG2 GLU 45 -15.357 -16.254 2.905 385 2HG GLU 45 HG1 GLU 45 -13.844 -17.138 2.711 386 H GLU 46 HN GLU 46 -15.807 -14.571 2.894 387 HA GLU 46 HA GLU 46 -17.912 -13.665 2.339 388 1HB GLU 46 HB2 GLU 46 -16.056 -11.351 1.697 389 2HB GLU 46 HB1 GLU 46 -17.800 -11.212 1.927 390 1HG GLU 46 HG2 GLU 46 -17.601 -12.053 4.213 391 2HG GLU 46 HG1 GLU 46 -15.865 -12.285 4.001 392 H ILE 47 HN ILE 47 -17.877 -11.409 0.183 393 HA ILE 47 HA ILE 47 -18.692 -11.385 -2.032 394 HB ILE 47 HB ILE 47 -16.248 -13.106 -2.507 395 1HG1 ILE 47 HG12 ILE 47 -15.553 -11.304 -1.043 396 2HG1 ILE 47 HG11 ILE 47 -15.033 -10.903 -2.678 397 1HG2 ILE 47 HG22 ILE 47 -17.742 -11.036 -4.143 398 2HG2 ILE 47 HG21 ILE 47 -16.161 -11.676 -4.593 399 3HG2 ILE 47 HG23 ILE 47 -17.556 -12.751 -4.507 400 1HD1 ILE 47 HD12 ILE 47 -17.288 -9.620 -2.852 401 2HD1 ILE 47 HD11 ILE 47 -17.317 -9.737 -1.093 402 3HD1 ILE 47 HD13 ILE 47 -15.994 -8.898 -1.901 403 H LYS 48 HN LYS 48 -20.328 -13.099 -0.938 404 HA LYS 48 HA LYS 48 -20.132 -15.715 -2.374 405 1HB LYS 48 HB2 LYS 48 -21.842 -14.775 -0.059 406 2HB LYS 48 HB1 LYS 48 -22.048 -16.335 -0.854 407 1HG LYS 48 HG2 LYS 48 -19.730 -16.940 -0.312 408 2HG LYS 48 HG1 LYS 48 -19.485 -15.367 0.445 409 1HD LYS 48 HD2 LYS 48 -19.957 -17.060 2.158 410 2HD LYS 48 HD1 LYS 48 -21.272 -15.888 2.083 411 1HE LYS 48 HE2 LYS 48 -21.475 -18.367 0.397 412 2HE LYS 48 HE1 LYS 48 -21.793 -18.492 2.126 413 1HZ LYS 48 HZ3 LYS 48 -23.051 -16.301 0.651 414 2HZ LYS 48 HZ2 LYS 48 -23.676 -17.866 0.439 415 3HZ LYS 48 HZ1 LYS 48 -23.620 -17.173 1.989 416 H GLU 49 HN GLU 49 -21.864 -12.694 -2.427 417 HA GLU 49 HA GLU 49 -23.652 -13.814 -4.557 418 1HB GLU 49 HB2 GLU 49 -24.506 -12.072 -2.231 419 2HB GLU 49 HB1 GLU 49 -25.518 -12.438 -3.630 420 1HG GLU 49 HG2 GLU 49 -25.341 -14.849 -3.132 421 2HG GLU 49 HG1 GLU 49 -24.335 -14.483 -1.731 422 H GLN 50 HN GLN 50 -24.519 -12.190 -5.995 423 HA GLN 50 HA GLN 50 -22.584 -10.238 -6.830 424 1HB GLN 50 HB2 GLN 50 -25.497 -10.662 -7.555 425 2HB GLN 50 HB1 GLN 50 -24.444 -9.504 -8.372 426 1HG GLN 50 HG2 GLN 50 -22.967 -11.258 -9.111 427 2HG GLN 50 HG1 GLN 50 -23.802 -12.453 -8.118 428 1HE2 GLN 50 HE22 GLN 50 -25.872 -11.019 -11.379 429 2HE2 GLN 50 HE21 GLN 50 -24.885 -9.954 -10.500 430 H GLU 51 HN GLU 51 -25.649 -9.979 -5.055 431 HA GLU 51 HA GLU 51 -25.836 -7.145 -5.007 432 1HB GLU 51 HB2 GLU 51 -26.774 -9.242 -3.033 433 2HB GLU 51 HB1 GLU 51 -27.169 -7.529 -2.880 434 1HG GLU 51 HG2 GLU 51 -27.758 -9.153 -5.368 435 2HG GLU 51 HG1 GLU 51 -28.925 -8.914 -4.067 436 H VAL 52 HN VAL 52 -24.117 -9.385 -2.867 437 HA VAL 52 HA VAL 52 -23.388 -7.519 -0.865 438 HB VAL 52 HB VAL 52 -21.993 -9.996 -1.906 439 1HG1 VAL 52 HG11 VAL 52 -21.341 -8.203 0.437 440 2HG1 VAL 52 HG13 VAL 52 -20.847 -9.896 0.391 441 3HG1 VAL 52 HG12 VAL 52 -20.259 -8.772 -0.835 442 1HG2 VAL 52 HG23 VAL 52 -24.302 -10.106 -0.800 443 2HG2 VAL 52 HG22 VAL 52 -23.043 -11.107 -0.077 444 3HG2 VAL 52 HG21 VAL 52 -23.501 -9.582 0.681 445 H VAL 53 HN VAL 53 -21.767 -8.304 -3.955 446 HA VAL 53 HA VAL 53 -19.431 -6.745 -3.478 447 HB VAL 53 HB VAL 53 -20.860 -7.440 -6.058 448 1HG1 VAL 53 HG13 VAL 53 -18.268 -5.972 -5.546 449 2HG1 VAL 53 HG12 VAL 53 -18.527 -6.879 -7.035 450 3HG1 VAL 53 HG11 VAL 53 -19.584 -5.528 -6.633 451 1HG2 VAL 53 HG21 VAL 53 -18.462 -8.564 -4.581 452 2HG2 VAL 53 HG23 VAL 53 -19.981 -9.386 -4.940 453 3HG2 VAL 53 HG22 VAL 53 -18.860 -8.992 -6.244 454 H ASP 54 HN ASP 54 -22.573 -5.810 -4.907 455 HA ASP 54 HA ASP 54 -21.797 -3.124 -5.539 456 1HB ASP 54 HB2 ASP 54 -24.500 -4.362 -4.968 457 2HB ASP 54 HB1 ASP 54 -24.295 -2.693 -5.499 458 H LYS 55 HN LYS 55 -23.318 -4.499 -2.620 459 HA LYS 55 HA LYS 55 -23.642 -1.949 -1.313 460 1HB LYS 55 HB2 LYS 55 -23.746 -4.823 -0.434 461 2HB LYS 55 HB1 LYS 55 -23.658 -3.573 0.803 462 1HG LYS 55 HG2 LYS 55 -25.981 -4.006 0.449 463 2HG LYS 55 HG1 LYS 55 -25.654 -2.466 -0.338 464 1HD LYS 55 HD2 LYS 55 -25.427 -3.649 -2.511 465 2HD LYS 55 HD1 LYS 55 -25.809 -5.168 -1.699 466 1HE LYS 55 HE2 LYS 55 -27.660 -2.788 -1.554 467 2HE LYS 55 HE1 LYS 55 -27.757 -3.963 -2.866 468 1HZ LYS 55 HZ3 LYS 55 -27.703 -5.617 -0.832 469 2HZ LYS 55 HZ2 LYS 55 -28.382 -4.281 -0.031 470 3HZ LYS 55 HZ1 LYS 55 -29.152 -4.940 -1.394 471 H VAL 56 HN VAL 56 -21.074 -4.397 -1.222 472 HA VAL 56 HA VAL 56 -19.571 -3.294 0.909 473 HB VAL 56 HB VAL 56 -18.702 -4.839 -1.545 474 1HG1 VAL 56 HG11 VAL 56 -17.137 -3.925 0.872 475 2HG1 VAL 56 HG13 VAL 56 -16.651 -5.333 -0.071 476 3HG1 VAL 56 HG12 VAL 56 -16.720 -3.743 -0.832 477 1HG2 VAL 56 HG21 VAL 56 -20.266 -5.806 0.327 478 2HG2 VAL 56 HG23 VAL 56 -18.881 -6.758 -0.205 479 3HG2 VAL 56 HG22 VAL 56 -18.796 -5.841 1.300 480 H MET 57 HN MET 57 -19.405 -2.550 -2.584 481 HA MET 57 HA MET 57 -17.155 -0.832 -2.420 482 1HB MET 57 HB2 MET 57 -19.522 -0.811 -4.308 483 2HB MET 57 HB1 MET 57 -18.101 0.217 -4.515 484 1HG MET 57 HG2 MET 57 -16.660 -1.805 -4.544 485 2HG MET 57 HG1 MET 57 -18.095 -2.813 -4.384 486 1HE MET 57 HE1 MET 57 -16.384 -0.075 -6.058 487 2HE MET 57 HE3 MET 57 -16.051 -0.823 -7.624 488 3HE MET 57 HE2 MET 57 -17.374 0.325 -7.455 489 H GLU 58 HN GLU 58 -20.627 -0.074 -2.020 490 HA GLU 58 HA GLU 58 -20.237 2.747 -1.752 491 1HB GLU 58 HB2 GLU 58 -22.460 1.715 -2.133 492 2HB GLU 58 HB1 GLU 58 -22.412 1.045 -0.501 493 1HG GLU 58 HG2 GLU 58 -22.310 3.287 0.461 494 2HG GLU 58 HG1 GLU 58 -22.227 4.003 -1.148 495 H THR 59 HN THR 59 -20.385 0.174 0.733 496 HA THR 59 HA THR 59 -20.023 2.001 2.935 497 HB THR 59 HB THR 59 -19.395 -0.961 2.769 498 HG1 THR 59 HG1 THR 59 -21.445 -1.261 3.289 499 1HG2 THR 59 HG22 THR 59 -19.603 0.994 5.059 500 2HG2 THR 59 HG21 THR 59 -19.820 -0.740 5.296 501 3HG2 THR 59 HG23 THR 59 -18.287 -0.119 4.688 502 H LEU 60 HN LEU 60 -17.764 -0.091 1.149 503 HA LEU 60 HA LEU 60 -15.477 0.718 2.694 504 1HB LEU 60 HB2 LEU 60 -15.821 -1.366 1.143 505 2HB LEU 60 HB1 LEU 60 -15.277 -0.285 -0.139 506 HG LEU 60 HG LEU 60 -13.324 0.262 1.608 507 1HD1 LEU 60 HD12 LEU 60 -14.213 -2.540 2.372 508 2HD1 LEU 60 HD11 LEU 60 -12.691 -1.794 2.858 509 3HD1 LEU 60 HD13 LEU 60 -14.221 -1.123 3.422 510 1HD2 LEU 60 HD22 LEU 60 -13.562 -2.151 -0.198 511 2HD2 LEU 60 HD21 LEU 60 -12.786 -0.602 -0.534 512 3HD2 LEU 60 HD23 LEU 60 -12.051 -1.727 0.607 513 H ASP 61 HN ASP 61 -16.922 1.923 -0.314 514 HA ASP 61 HA ASP 61 -14.726 3.676 -0.970 515 1HB ASP 61 HB2 ASP 61 -16.491 2.955 -2.599 516 2HB ASP 61 HB1 ASP 61 -17.641 3.987 -1.746 517 H GLU 62 HN GLU 62 -14.135 5.450 0.132 518 HA GLU 62 HA GLU 62 -15.682 6.519 2.301 519 1HB GLU 62 HB2 GLU 62 -13.263 7.584 0.822 520 2HB GLU 62 HB1 GLU 62 -13.949 8.358 2.250 521 1HG GLU 62 HG2 GLU 62 -13.073 5.459 2.190 522 2HG GLU 62 HG1 GLU 62 -12.035 6.776 2.736 523 H ASP 63 HN ASP 63 -15.179 7.625 -1.060 524 HA ASP 63 HA ASP 63 -17.002 9.921 -0.561 525 1HB ASP 63 HB2 ASP 63 -16.383 10.567 -2.899 526 2HB ASP 63 HB1 ASP 63 -14.997 10.439 -1.816 527 H GLY 64 HN GLY 64 -17.120 6.727 -1.860 528 1HA GLY 64 HA2 GLY 64 -18.783 5.607 -3.102 529 2HA GLY 64 HA1 GLY 64 -19.885 6.607 -2.154 530 H ASP 65 HN ASP 65 -17.605 7.196 -4.862 531 HA ASP 65 HA ASP 65 -19.553 9.087 -6.042 532 1HB ASP 65 HB2 ASP 65 -17.762 9.629 -7.604 533 2HB ASP 65 HB1 ASP 65 -17.107 9.614 -5.966 534 H GLY 66 HN GLY 66 -19.144 5.797 -6.131 535 1HA GLY 66 HA2 GLY 66 -20.393 4.298 -7.513 536 2HA GLY 66 HA1 GLY 66 -20.645 5.603 -8.672 537 H GLU 67 HN GLU 67 -17.513 5.935 -8.085 538 HA GLU 67 HA GLU 67 -16.595 3.799 -9.977 539 1HB GLU 67 HB2 GLU 67 -15.826 6.737 -10.071 540 2HB GLU 67 HB1 GLU 67 -15.200 5.471 -11.121 541 1HG GLU 67 HG2 GLU 67 -16.899 6.454 -12.423 542 2HG GLU 67 HG1 GLU 67 -17.684 5.033 -11.739 543 H CYS 68 HN CYS 68 -14.583 2.942 -9.411 544 HA CYS 68 HA CYS 68 -13.463 3.905 -6.828 545 1HB CYS 68 HB2 CYS 68 -13.755 1.532 -6.916 546 2HB CYS 68 HB1 CYS 68 -12.977 1.425 -8.491 547 HG CYS 68 HG CYS 68 -10.755 1.408 -7.385 548 H ASP 69 HN ASP 69 -11.989 5.496 -7.002 549 HA ASP 69 HA ASP 69 -10.356 5.782 -9.446 550 1HB ASP 69 HB2 ASP 69 -10.612 7.439 -6.919 551 2HB ASP 69 HB1 ASP 69 -9.494 7.830 -8.226 552 H PHE 70 HN PHE 70 -7.936 6.252 -9.058 553 HA PHE 70 HA PHE 70 -6.709 3.957 -7.907 554 1HB PHE 70 HB2 PHE 70 -5.615 5.389 -9.617 555 2HB PHE 70 HB1 PHE 70 -5.470 6.679 -8.423 556 HD1 PHE 70 HD1 PHE 70 -3.982 6.410 -6.449 557 HD2 PHE 70 HD2 PHE 70 -4.191 3.449 -9.554 558 HE1 PHE 70 HE1 PHE 70 -1.875 5.395 -5.624 559 HE2 PHE 70 HE2 PHE 70 -2.085 2.434 -8.730 560 HZ PHE 70 HZ PHE 70 -0.928 3.406 -6.764 561 H GLN 71 HN GLN 71 -7.184 7.251 -6.639 562 HA GLN 71 HA GLN 71 -5.782 6.891 -4.179 563 1HB GLN 71 HB2 GLN 71 -6.611 9.093 -5.023 564 2HB GLN 71 HB1 GLN 71 -8.262 8.570 -4.692 565 1HG GLN 71 HG2 GLN 71 -7.682 8.283 -2.297 566 2HG GLN 71 HG1 GLN 71 -6.046 8.848 -2.640 567 1HE2 GLN 71 HE22 GLN 71 -7.194 12.112 -1.918 568 2HE2 GLN 71 HE21 GLN 71 -6.112 10.865 -1.522 569 H GLU 72 HN GLU 72 -9.165 6.301 -5.092 570 HA GLU 72 HA GLU 72 -10.019 5.362 -2.509 571 1HB GLU 72 HB2 GLU 72 -11.095 4.870 -5.302 572 2HB GLU 72 HB1 GLU 72 -11.907 4.332 -3.831 573 1HG GLU 72 HG2 GLU 72 -12.008 6.662 -3.027 574 2HG GLU 72 HG1 GLU 72 -11.197 7.204 -4.496 575 H PHE 73 HN PHE 73 -8.712 3.787 -5.393 576 HA PHE 73 HA PHE 73 -9.022 1.086 -4.549 577 1HB PHE 73 HB2 PHE 73 -8.362 1.737 -6.854 578 2HB PHE 73 HB1 PHE 73 -6.800 2.280 -6.240 579 HD1 PHE 73 HD2 PHE 73 -5.124 0.672 -5.444 580 HD2 PHE 73 HD1 PHE 73 -8.930 -0.630 -6.947 581 HE1 PHE 73 HE2 PHE 73 -4.269 -1.652 -5.599 582 HE2 PHE 73 HE1 PHE 73 -8.077 -2.952 -7.100 583 HZ PHE 73 HZ PHE 73 -5.747 -3.464 -6.427 584 H MET 74 HN MET 74 -6.486 3.485 -3.923 585 HA MET 74 HA MET 74 -4.658 1.743 -2.607 586 1HB MET 74 HB2 MET 74 -4.741 4.452 -3.220 587 2HB MET 74 HB1 MET 74 -4.866 4.485 -1.466 588 1HG MET 74 HG2 MET 74 -2.698 3.116 -3.088 589 2HG MET 74 HG1 MET 74 -2.516 4.583 -2.129 590 1HE MET 74 HE3 MET 74 -0.468 3.007 -1.560 591 2HE MET 74 HE2 MET 74 -0.509 1.715 -0.364 592 3HE MET 74 HE1 MET 74 -1.067 1.403 -2.005 593 H ALA 75 HN ALA 75 -7.488 3.542 -1.437 594 HA ALA 75 HA ALA 75 -7.226 2.908 1.339 595 1HB ALA 75 HB1 ALA 75 -8.828 4.599 0.456 596 2HB ALA 75 HB3 ALA 75 -9.774 3.298 -0.267 597 3HB ALA 75 HB2 ALA 75 -9.626 3.412 1.486 598 H PHE 76 HN PHE 76 -8.641 1.180 -1.388 599 HA PHE 76 HA PHE 76 -9.962 -0.891 0.027 600 1HB PHE 76 HB2 PHE 76 -10.153 -0.420 -2.434 601 2HB PHE 76 HB1 PHE 76 -8.553 -1.118 -2.647 602 HD1 PHE 76 HD1 PHE 76 -8.166 -3.541 -1.904 603 HD2 PHE 76 HD2 PHE 76 -12.071 -1.808 -2.343 604 HE1 PHE 76 HE1 PHE 76 -9.160 -5.806 -2.031 605 HE2 PHE 76 HE2 PHE 76 -13.066 -4.074 -2.457 606 HZ PHE 76 HZ PHE 76 -11.609 -6.075 -2.304 607 H VAL 77 HN VAL 77 -6.622 -0.831 -1.287 608 HA VAL 77 HA VAL 77 -5.977 -3.434 -0.228 609 HB VAL 77 HB VAL 77 -4.127 -1.159 -0.999 610 1HG1 VAL 77 HG12 VAL 77 -3.689 -4.106 -0.465 611 2HG1 VAL 77 HG11 VAL 77 -2.534 -3.119 -1.362 612 3HG1 VAL 77 HG13 VAL 77 -2.901 -2.737 0.320 613 1HG2 VAL 77 HG22 VAL 77 -5.715 -1.978 -2.787 614 2HG2 VAL 77 HG21 VAL 77 -4.010 -2.223 -3.168 615 3HG2 VAL 77 HG23 VAL 77 -4.991 -3.578 -2.612 616 H SER 78 HN SER 78 -5.419 -0.123 0.989 617 HA SER 78 HA SER 78 -3.846 -0.887 3.241 618 1HB SER 78 HB2 SER 78 -4.010 1.443 2.475 619 2HB SER 78 HB1 SER 78 -5.709 1.484 2.936 620 HG SER 78 HG SER 78 -4.730 0.731 5.082 621 H MET 79 HN MET 79 -7.373 -0.236 3.070 622 HA MET 79 HA MET 79 -7.887 -0.855 5.803 623 1HB MET 79 HB2 MET 79 -9.503 0.270 4.251 624 2HB MET 79 HB1 MET 79 -9.771 -1.288 3.469 625 1HG MET 79 HG2 MET 79 -10.626 -2.247 5.513 626 2HG MET 79 HG1 MET 79 -10.165 -0.816 6.435 627 1HE MET 79 HE3 MET 79 -12.627 -1.716 7.045 628 2HE MET 79 HE2 MET 79 -12.560 0.004 7.418 629 3HE MET 79 HE1 MET 79 -13.971 -0.657 6.598 630 H VAL 80 HN VAL 80 -7.892 -2.929 2.918 631 HA VAL 80 HA VAL 80 -8.767 -5.304 4.266 632 HB VAL 80 HB VAL 80 -7.236 -4.825 1.698 633 1HG1 VAL 80 HG13 VAL 80 -8.191 -7.448 2.887 634 2HG1 VAL 80 HG12 VAL 80 -7.767 -7.239 1.189 635 3HG1 VAL 80 HG11 VAL 80 -6.539 -7.028 2.431 636 1HG2 VAL 80 HG21 VAL 80 -10.063 -5.719 2.343 637 2HG2 VAL 80 HG23 VAL 80 -9.588 -4.140 1.718 638 3HG2 VAL 80 HG22 VAL 80 -9.399 -5.578 0.715 639 H THR 81 HN THR 81 -5.476 -4.180 3.393 640 HA THR 81 HA THR 81 -4.154 -6.417 4.617 641 HB THR 81 HB THR 81 -3.106 -3.622 4.075 642 HG1 THR 81 HG1 THR 81 -2.443 -4.497 2.150 643 1HG2 THR 81 HG23 THR 81 -1.794 -6.221 4.861 644 2HG2 THR 81 HG22 THR 81 -0.913 -5.004 3.941 645 3HG2 THR 81 HG21 THR 81 -1.548 -4.610 5.538 646 H THR 82 HN THR 82 -4.794 -3.109 5.800 647 HA THR 82 HA THR 82 -3.543 -3.479 8.349 648 HB THR 82 HB THR 82 -5.817 -1.621 7.585 649 HG1 THR 82 HG1 THR 82 -2.997 -1.332 7.602 650 1HG2 THR 82 HG22 THR 82 -3.953 -1.756 9.959 651 2HG2 THR 82 HG21 THR 82 -4.790 -0.271 9.506 652 3HG2 THR 82 HG23 THR 82 -5.716 -1.700 9.962 653 H ALA 83 HN ALA 83 -6.868 -3.991 7.233 654 HA ALA 83 HA ALA 83 -8.095 -4.494 9.726 655 1HB ALA 83 HB3 ALA 83 -8.659 -5.627 6.980 656 2HB ALA 83 HB2 ALA 83 -9.706 -5.901 8.374 657 3HB ALA 83 HB1 ALA 83 -9.457 -4.264 7.765 658 H CYS 84 HN CYS 84 -5.854 -6.503 7.949 659 HA CYS 84 HA CYS 84 -6.649 -9.003 9.177 660 1HB CYS 84 HB2 CYS 84 -4.715 -9.940 8.178 661 2HB CYS 84 HB1 CYS 84 -5.212 -8.672 7.060 662 HG CYS 84 HG CYS 84 -3.290 -7.399 8.913 663 H HIS 85 HN HIS 85 -4.195 -6.558 9.936 664 HA HIS 85 HA HIS 85 -2.777 -6.315 11.782 665 1HB HIS 85 HB2 HIS 85 -3.973 -6.454 13.973 666 2HB HIS 85 HB1 HIS 85 -4.828 -5.496 12.768 667 HD1 HIS 85 HD1 HIS 85 -6.909 -6.667 11.591 668 HD2 HIS 85 HD2 HIS 85 -5.373 -8.707 14.886 669 HE1 HIS 85 HE1 HIS 85 -8.673 -8.351 12.279 670 HE2 HIS 85 HE2 HIS 85 -7.746 -9.600 14.282 671 H GLU 86 HN GLU 86 -2.284 -7.531 14.081 672 HA GLU 86 HA GLU 86 -0.987 -9.339 14.858 673 1HB GLU 86 HB2 GLU 86 -3.618 -10.523 13.977 674 2HB GLU 86 HB1 GLU 86 -2.368 -11.547 14.685 675 1HG GLU 86 HG2 GLU 86 -3.359 -9.017 16.018 676 2HG GLU 86 HG1 GLU 86 -4.063 -10.604 16.334 677 H PHE 87 HN PHE 87 -0.673 -11.936 14.046 678 HA PHE 87 HA PHE 87 0.688 -11.598 11.415 679 1HB PHE 87 HB2 PHE 87 1.010 -13.983 13.234 680 2HB PHE 87 HB1 PHE 87 2.169 -13.282 12.102 681 HD1 PHE 87 HD2 PHE 87 2.792 -10.730 12.605 682 HD2 PHE 87 HD1 PHE 87 1.293 -13.518 15.512 683 HE1 PHE 87 HE2 PHE 87 3.741 -9.342 14.428 684 HE2 PHE 87 HE1 PHE 87 2.240 -12.129 17.332 685 HZ PHE 87 HZ PHE 87 3.464 -10.041 16.792 686 H PHE 88 HN PHE 88 -0.118 -12.642 9.633 687 HA PHE 88 HA PHE 88 -2.533 -14.300 9.939 688 1HB PHE 88 HB2 PHE 88 -2.240 -12.605 8.087 689 2HB PHE 88 HB1 PHE 88 -0.995 -13.654 7.407 690 HD1 PHE 88 HD1 PHE 88 -1.570 -15.909 6.557 691 HD2 PHE 88 HD2 PHE 88 -4.585 -13.191 7.966 692 HE1 PHE 88 HE1 PHE 88 -3.321 -17.279 5.457 693 HE2 PHE 88 HE2 PHE 88 -6.335 -14.562 6.866 694 HZ PHE 88 HZ PHE 88 -5.703 -16.606 5.611 695 H GLU 89 HN GLU 89 -2.523 -16.521 9.916 696 HA GLU 89 HA GLU 89 0.087 -17.891 9.634 697 1HB GLU 89 HB2 GLU 89 -1.463 -18.456 11.509 698 2HB GLU 89 HB1 GLU 89 -2.644 -19.017 10.326 699 1HG GLU 89 HG2 GLU 89 -1.031 -20.692 9.501 700 2HG GLU 89 HG1 GLU 89 0.153 -20.132 10.682 701 H HIS 90 HN HIS 90 0.626 -18.230 7.509 702 HA HIS 90 HA HIS 90 -1.337 -18.626 5.423 703 1HB HIS 90 HB2 HIS 90 1.002 -17.706 5.102 704 2HB HIS 90 HB1 HIS 90 1.603 -19.349 5.329 705 HD1 HIS 90 HD1 HIS 90 -1.240 -17.841 3.256 706 HD2 HIS 90 HD2 HIS 90 1.958 -20.490 2.845 707 HE1 HIS 90 HE1 HIS 90 -1.296 -18.668 0.860 708 HE2 HIS 90 HE2 HIS 90 0.645 -20.280 0.600 709 H GLU 91 HN GLU 91 -1.822 -20.595 4.307 710 HA GLU 91 HA GLU 91 -2.245 -22.887 5.859 711 1HB GLU 91 HB2 GLU 91 -1.816 -22.632 2.871 712 2HB GLU 91 HB1 GLU 91 -2.344 -24.125 3.649 713 1HG GLU 91 HG2 GLU 91 -4.281 -22.892 4.623 714 2HG GLU 91 HG1 GLU 91 -3.776 -21.454 3.733 715 1H MET 0 HT1 MET 0 2.651 -15.329 -12.277 716 2H MET 0 HT3 MET 0 3.570 -15.988 -11.013 717 3H MET 0 HT2 MET 0 2.695 -17.012 -12.048 718 HA MET 0 HA MET 0 0.725 -16.629 -11.036 719 1HB MET 0 HB2 MET 0 2.782 -15.890 -8.931 720 2HB MET 0 HB1 MET 0 1.104 -16.303 -8.579 721 1HG MET 0 HG2 MET 0 1.389 -18.519 -9.515 722 2HG MET 0 HG1 MET 0 3.012 -18.119 -10.077 723 1HE MET 0 HE3 MET 0 4.287 -19.910 -9.057 724 2HE MET 0 HE2 MET 0 4.124 -20.522 -7.413 725 3HE MET 0 HE1 MET 0 2.784 -20.686 -8.545 726 H SER 1 HN SER 1 -0.088 -14.895 -9.002 727 HA SER 1 HA SER 1 -0.387 -12.387 -10.532 728 1HB SER 1 HB2 SER 1 -2.425 -13.112 -9.571 729 2HB SER 1 HB1 SER 1 -1.659 -13.517 -8.038 730 HG SER 1 HG SER 1 -2.096 -10.943 -9.152 731 H GLU 2 HN GLU 2 1.332 -11.025 -10.322 732 HA GLU 2 HA GLU 2 3.116 -10.920 -8.108 733 1HB GLU 2 HB2 GLU 2 3.578 -9.982 -10.386 734 2HB GLU 2 HB1 GLU 2 2.467 -8.661 -10.023 735 1HG GLU 2 HG2 GLU 2 3.842 -8.000 -8.102 736 2HG GLU 2 HG1 GLU 2 4.936 -9.352 -8.401 737 H LEU 3 HN LEU 3 0.170 -9.051 -8.811 738 HA LEU 3 HA LEU 3 0.375 -7.136 -6.749 739 1HB LEU 3 HB2 LEU 3 -1.430 -7.456 -8.619 740 2HB LEU 3 HB1 LEU 3 -2.260 -8.451 -7.429 741 HG LEU 3 HG LEU 3 -1.362 -5.595 -6.925 742 1HD1 LEU 3 HD13 LEU 3 -4.028 -6.730 -7.803 743 2HD1 LEU 3 HD12 LEU 3 -3.843 -5.116 -7.115 744 3HD1 LEU 3 HD11 LEU 3 -3.046 -5.523 -8.635 745 1HD2 LEU 3 HD22 LEU 3 -2.955 -7.634 -5.364 746 2HD2 LEU 3 HD21 LEU 3 -1.615 -6.625 -4.821 747 3HD2 LEU 3 HD23 LEU 3 -3.199 -5.909 -5.093 748 H GLU 4 HN GLU 4 -1.213 -10.354 -6.604 749 HA GLU 4 HA GLU 4 -1.839 -10.235 -3.826 750 1HB GLU 4 HB2 GLU 4 -2.729 -11.940 -5.434 751 2HB GLU 4 HB1 GLU 4 -1.139 -12.703 -5.445 752 1HG GLU 4 HG2 GLU 4 -1.287 -13.102 -3.028 753 2HG GLU 4 HG1 GLU 4 -2.853 -12.290 -2.977 754 H LYS 5 HN LYS 5 1.033 -11.454 -5.531 755 HA LYS 5 HA LYS 5 2.442 -12.385 -3.232 756 1HB LYS 5 HB2 LYS 5 3.083 -12.842 -5.628 757 2HB LYS 5 HB1 LYS 5 3.676 -11.183 -5.725 758 1HG LYS 5 HG2 LYS 5 5.197 -11.646 -3.803 759 2HG LYS 5 HG1 LYS 5 4.649 -13.322 -3.807 760 1HD LYS 5 HD2 LYS 5 5.445 -13.562 -6.144 761 2HD LYS 5 HD1 LYS 5 6.033 -11.899 -6.099 762 1HE LYS 5 HE2 LYS 5 7.877 -13.442 -5.624 763 2HE LYS 5 HE1 LYS 5 7.504 -12.491 -4.186 764 1HZ LYS 5 HZ1 LYS 5 5.861 -14.679 -4.039 765 2HZ LYS 5 HZ3 LYS 5 7.343 -15.307 -4.576 766 3HZ LYS 5 HZ2 LYS 5 7.273 -14.412 -3.132 767 H ALA 6 HN ALA 6 2.308 -9.185 -4.774 768 HA ALA 6 HA ALA 6 4.362 -7.951 -3.260 769 1HB ALA 6 HB1 ALA 6 3.315 -6.902 -5.235 770 2HB ALA 6 HB3 ALA 6 1.815 -6.700 -4.329 771 3HB ALA 6 HB2 ALA 6 3.263 -5.822 -3.841 772 H MET 7 HN MET 7 0.873 -8.291 -2.509 773 HA MET 7 HA MET 7 0.981 -6.729 -0.107 774 1HB MET 7 HB2 MET 7 -0.840 -9.017 -0.912 775 2HB MET 7 HB1 MET 7 -1.062 -8.077 0.560 776 1HG MET 7 HG2 MET 7 -0.973 -6.010 -1.084 777 2HG MET 7 HG1 MET 7 -1.389 -7.214 -2.301 778 1HE MET 7 HE3 MET 7 -3.318 -8.774 -2.217 779 2HE MET 7 HE2 MET 7 -3.132 -9.307 -0.548 780 3HE MET 7 HE1 MET 7 -4.693 -8.711 -1.105 781 H VAL 8 HN VAL 8 1.554 -10.181 -0.731 782 HA VAL 8 HA VAL 8 1.924 -10.889 2.044 783 HB VAL 8 HB VAL 8 2.884 -12.174 -0.534 784 1HG1 VAL 8 HG12 VAL 8 3.157 -13.045 2.346 785 2HG1 VAL 8 HG11 VAL 8 3.175 -14.207 1.020 786 3HG1 VAL 8 HG13 VAL 8 4.411 -12.952 1.109 787 1HG2 VAL 8 HG22 VAL 8 0.585 -12.688 1.370 788 2HG2 VAL 8 HG21 VAL 8 0.497 -12.282 -0.344 789 3HG2 VAL 8 HG23 VAL 8 1.101 -13.861 0.159 790 H ALA 9 HN ALA 9 4.086 -9.858 -0.555 791 HA ALA 9 HA ALA 9 6.554 -10.192 0.826 792 1HB ALA 9 HB1 ALA 9 6.404 -9.789 -1.597 793 2HB ALA 9 HB3 ALA 9 5.813 -8.156 -1.294 794 3HB ALA 9 HB2 ALA 9 7.456 -8.600 -0.826 795 H LEU 10 HN LEU 10 4.283 -7.452 0.720 796 HA LEU 10 HA LEU 10 5.912 -5.581 2.098 797 1HB LEU 10 HB2 LEU 10 3.517 -5.372 0.959 798 2HB LEU 10 HB1 LEU 10 2.937 -5.690 2.583 799 HG LEU 10 HG LEU 10 3.026 -3.330 2.427 800 1HD1 LEU 10 HD11 LEU 10 4.163 -4.340 4.467 801 2HD1 LEU 10 HD13 LEU 10 5.701 -3.967 3.689 802 3HD1 LEU 10 HD12 LEU 10 4.583 -2.671 4.099 803 1HD2 LEU 10 HD23 LEU 10 4.573 -3.454 0.336 804 2HD2 LEU 10 HD22 LEU 10 4.699 -2.050 1.388 805 3HD2 LEU 10 HD21 LEU 10 5.896 -3.338 1.498 806 H ILE 11 HN ILE 11 3.599 -8.006 3.340 807 HA ILE 11 HA ILE 11 4.003 -7.324 6.113 808 HB ILE 11 HB ILE 11 3.007 -9.873 4.801 809 1HG1 ILE 11 HG12 ILE 11 1.484 -7.697 6.265 810 2HG1 ILE 11 HG11 ILE 11 1.675 -7.732 4.512 811 1HG2 ILE 11 HG23 ILE 11 3.185 -9.026 7.698 812 2HG2 ILE 11 HG22 ILE 11 2.027 -10.239 7.151 813 3HG2 ILE 11 HG21 ILE 11 3.756 -10.523 6.964 814 1HD1 ILE 11 HD11 ILE 11 0.480 -9.997 6.136 815 2HD1 ILE 11 HD13 ILE 11 -0.471 -8.773 5.294 816 3HD1 ILE 11 HD12 ILE 11 0.549 -9.882 4.377 817 H ASP 12 HN ASP 12 5.481 -9.748 3.960 818 HA ASP 12 HA ASP 12 7.070 -11.022 5.972 819 1HB ASP 12 HB2 ASP 12 6.659 -12.016 3.752 820 2HB ASP 12 HB1 ASP 12 7.604 -10.731 3.002 821 H VAL 13 HN VAL 13 7.930 -8.452 3.628 822 HA VAL 13 HA VAL 13 10.603 -8.123 4.555 823 HB VAL 13 HB VAL 13 8.700 -6.205 3.184 824 1HG1 VAL 13 HG12 VAL 13 11.617 -5.900 3.927 825 2HG1 VAL 13 HG11 VAL 13 10.879 -4.982 2.614 826 3HG1 VAL 13 HG13 VAL 13 10.288 -4.791 4.264 827 1HG2 VAL 13 HG22 VAL 13 9.526 -8.335 2.032 828 2HG2 VAL 13 HG21 VAL 13 9.862 -6.824 1.188 829 3HG2 VAL 13 HG23 VAL 13 11.140 -7.629 2.098 830 H PHE 14 HN PHE 14 7.574 -6.560 5.558 831 HA PHE 14 HA PHE 14 8.709 -4.649 7.327 832 1HB PHE 14 HB2 PHE 14 6.340 -4.619 6.647 833 2HB PHE 14 HB1 PHE 14 6.057 -6.105 7.551 834 HD1 PHE 14 HD1 PHE 14 6.742 -2.495 7.791 835 HD2 PHE 14 HD2 PHE 14 6.031 -6.113 10.001 836 HE1 PHE 14 HE1 PHE 14 6.349 -1.163 9.846 837 HE2 PHE 14 HE2 PHE 14 5.641 -4.778 12.056 838 HZ PHE 14 HZ PHE 14 5.799 -2.304 11.978 839 H HIS 15 HN HIS 15 7.700 -8.026 7.928 840 HA HIS 15 HA HIS 15 8.162 -8.024 10.729 841 1HB HIS 15 HB2 HIS 15 6.996 -9.844 9.489 842 2HB HIS 15 HB1 HIS 15 8.550 -10.351 8.826 843 HD1 HIS 15 HD1 HIS 15 8.577 -9.103 12.315 844 HD2 HIS 15 HD2 HIS 15 8.272 -12.798 10.401 845 HE1 HIS 15 HE1 HIS 15 8.951 -10.868 14.097 846 HE2 HIS 15 HE2 HIS 15 8.765 -13.119 12.943 847 H GLN 16 HN GLN 16 10.416 -8.995 8.097 848 HA GLN 16 HA GLN 16 12.602 -9.487 9.909 849 1HB GLN 16 HB2 GLN 16 12.610 -8.808 6.951 850 2HB GLN 16 HB1 GLN 16 14.032 -9.323 7.859 851 1HG GLN 16 HG2 GLN 16 12.895 -11.436 8.446 852 2HG GLN 16 HG1 GLN 16 11.478 -10.922 7.528 853 1HE2 GLN 16 HE22 GLN 16 14.678 -11.166 5.028 854 2HE2 GLN 16 HE21 GLN 16 14.661 -10.065 6.320 855 H TYR 17 HN TYR 17 11.561 -6.660 8.051 856 HA TYR 17 HA TYR 17 13.810 -5.021 8.781 857 1HB TYR 17 HB2 TYR 17 12.521 -4.390 6.848 858 2HB TYR 17 HB1 TYR 17 11.030 -4.339 7.787 859 HD1 TYR 17 HD1 TYR 17 14.501 -2.908 8.164 860 HD2 TYR 17 HD2 TYR 17 10.265 -2.164 8.180 861 HE1 TYR 17 HE1 TYR 17 14.918 -0.527 8.697 862 HE2 TYR 17 HE2 TYR 17 10.690 0.219 8.710 863 HH TYR 17 HH TYR 17 14.004 1.494 8.916 864 H SER 18 HN SER 18 10.691 -5.686 10.312 865 HA SER 18 HA SER 18 10.704 -3.517 12.157 866 1HB SER 18 HB2 SER 18 9.671 -6.334 12.603 867 2HB SER 18 HB1 SER 18 9.224 -4.910 13.538 868 HG SER 18 HG SER 18 8.309 -4.033 11.681 869 H GLY 19 HN GLY 19 12.086 -6.796 12.460 870 1HA GLY 19 HA2 GLY 19 13.262 -6.174 15.070 871 2HA GLY 19 HA1 GLY 19 13.437 -7.687 14.190 872 H ARG 20 HN ARG 20 14.217 -4.760 12.439 873 HA ARG 20 HA ARG 20 16.853 -5.685 11.897 874 1HB ARG 20 HB2 ARG 20 15.255 -3.536 11.029 875 2HB ARG 20 HB1 ARG 20 16.657 -2.752 11.723 876 1HG ARG 20 HG2 ARG 20 16.906 -5.021 9.724 877 2HG ARG 20 HG1 ARG 20 16.776 -3.335 9.232 878 1HD ARG 20 HD2 ARG 20 18.773 -2.739 10.434 879 2HD ARG 20 HD1 ARG 20 18.862 -4.336 11.183 880 HE ARG 20 HE ARG 20 18.969 -4.932 8.507 881 1HH1 ARG 20 HH21 ARG 20 20.601 -2.710 10.579 882 2HH1 ARG 20 HH22 ARG 20 22.088 -2.770 9.692 883 1HH2 ARG 20 HH11 ARG 20 20.902 -5.026 7.340 884 2HH2 ARG 20 HH12 ARG 20 22.258 -4.082 7.859 885 H GLU 21 HN GLU 21 15.708 -3.402 14.386 886 HA GLU 21 HA GLU 21 18.454 -3.519 15.601 887 1HB GLU 21 HB2 GLU 21 17.277 -1.253 14.669 888 2HB GLU 21 HB1 GLU 21 16.643 -1.246 16.311 889 1HG GLU 21 HG2 GLU 21 18.969 -1.462 17.183 890 2HG GLU 21 HG1 GLU 21 19.574 -1.405 15.529 891 H GLY 22 HN GLY 22 17.653 -2.274 18.040 892 1HA GLY 22 HA2 GLY 22 16.880 -4.534 19.563 893 2HA GLY 22 HA1 GLY 22 16.863 -2.876 20.155 894 H ASP 23 HN ASP 23 14.906 -1.829 18.331 895 HA ASP 23 HA ASP 23 12.526 -2.378 19.727 896 1HB ASP 23 HB2 ASP 23 11.361 -1.405 17.722 897 2HB ASP 23 HB1 ASP 23 12.673 -0.409 18.349 898 H LYS 24 HN LYS 24 10.901 -3.858 19.509 899 HA LYS 24 HA LYS 24 11.473 -6.244 17.870 900 1HB LYS 24 HB2 LYS 24 10.848 -6.498 20.228 901 2HB LYS 24 HB1 LYS 24 9.319 -5.678 19.925 902 1HG LYS 24 HG2 LYS 24 8.664 -7.476 18.358 903 2HG LYS 24 HG1 LYS 24 10.197 -8.296 18.666 904 1HD LYS 24 HD2 LYS 24 9.624 -8.487 21.050 905 2HD LYS 24 HD1 LYS 24 8.100 -7.650 20.758 906 1HE LYS 24 HE2 LYS 24 7.416 -9.457 19.210 907 2HE LYS 24 HE1 LYS 24 8.929 -10.303 19.544 908 1HZ LYS 24 HZ3 LYS 24 7.482 -9.516 21.905 909 2HZ LYS 24 HZ2 LYS 24 6.636 -10.621 20.929 910 3HZ LYS 24 HZ1 LYS 24 8.184 -11.009 21.511 911 H HIS 25 HN HIS 25 8.256 -4.900 18.578 912 HA HIS 25 HA HIS 25 7.567 -5.242 15.688 913 1HB HIS 25 HB2 HIS 25 5.258 -5.419 16.431 914 2HB HIS 25 HB1 HIS 25 6.257 -6.536 17.360 915 HD1 HIS 25 HD1 HIS 25 4.098 -3.539 17.694 916 HD2 HIS 25 HD2 HIS 25 6.776 -5.663 20.085 917 HE1 HIS 25 HE1 HIS 25 3.719 -2.749 20.073 918 HE2 HIS 25 HE2 HIS 25 5.342 -4.038 21.536 919 H LYS 26 HN LYS 26 8.882 -2.817 16.934 920 HA LYS 26 HA LYS 26 6.926 -0.826 15.864 921 1HB LYS 26 HB2 LYS 26 7.544 0.745 17.685 922 2HB LYS 26 HB1 LYS 26 6.751 -0.699 18.313 923 1HG LYS 26 HG2 LYS 26 9.149 -1.641 18.611 924 2HG LYS 26 HG1 LYS 26 9.676 0.031 18.411 925 1HD LYS 26 HD2 LYS 26 7.675 -0.929 20.479 926 2HD LYS 26 HD1 LYS 26 9.364 -0.544 20.804 927 1HE LYS 26 HE2 LYS 26 8.803 1.772 19.745 928 2HE LYS 26 HE1 LYS 26 7.123 1.317 20.033 929 1HZ LYS 26 HZ2 LYS 26 8.787 0.796 22.295 930 2HZ LYS 26 HZ1 LYS 26 8.825 2.435 21.849 931 3HZ LYS 26 HZ3 LYS 26 7.342 1.687 22.198 932 H LEU 27 HN LEU 27 7.993 1.052 14.950 933 HA LEU 27 HA LEU 27 10.820 0.466 14.163 934 1HB LEU 27 HB2 LEU 27 8.780 2.327 12.921 935 2HB LEU 27 HB1 LEU 27 10.386 1.991 12.281 936 HG LEU 27 HG LEU 27 8.148 -0.026 12.645 937 1HD1 LEU 27 HD11 LEU 27 9.297 1.423 10.258 938 2HD1 LEU 27 HD13 LEU 27 8.453 -0.115 10.076 939 3HD1 LEU 27 HD12 LEU 27 7.609 1.278 10.750 940 1HD2 LEU 27 HD22 LEU 27 11.056 -0.291 11.906 941 2HD2 LEU 27 HD21 LEU 27 10.058 -1.341 12.911 942 3HD2 LEU 27 HD23 LEU 27 9.886 -1.379 11.159 943 H LYS 28 HN LYS 28 12.441 1.845 14.641 944 HA LYS 28 HA LYS 28 11.833 4.122 16.444 945 1HB LYS 28 HB2 LYS 28 13.668 2.299 16.812 946 2HB LYS 28 HB1 LYS 28 14.595 3.202 15.616 947 1HG LYS 28 HG2 LYS 28 14.138 5.277 17.055 948 2HG LYS 28 HG1 LYS 28 13.585 4.162 18.301 949 1HD LYS 28 HD2 LYS 28 16.312 3.998 16.988 950 2HD LYS 28 HD1 LYS 28 16.007 4.820 18.518 951 1HE LYS 28 HE2 LYS 28 15.020 2.629 19.362 952 2HE LYS 28 HE1 LYS 28 15.671 1.874 17.906 953 1HZ LYS 28 HZ3 LYS 28 17.726 3.379 18.935 954 2HZ LYS 28 HZ2 LYS 28 17.020 2.631 20.286 955 3HZ LYS 28 HZ1 LYS 28 17.579 1.690 18.988 956 H LYS 29 HN LYS 29 13.028 6.210 16.000 957 HA LYS 29 HA LYS 29 12.468 7.196 13.392 958 1HB LYS 29 HB2 LYS 29 14.409 8.242 15.478 959 2HB LYS 29 HB1 LYS 29 13.852 9.152 14.073 960 1HG LYS 29 HG2 LYS 29 11.524 8.956 14.867 961 2HG LYS 29 HG1 LYS 29 12.081 8.051 16.275 962 1HD LYS 29 HD2 LYS 29 13.450 9.981 16.979 963 2HD LYS 29 HD1 LYS 29 12.890 10.889 15.575 964 1HE LYS 29 HE2 LYS 29 10.999 9.722 17.628 965 2HE LYS 29 HE1 LYS 29 11.643 11.361 17.743 966 1HZ LYS 29 HZ3 LYS 29 10.498 10.590 15.182 967 2HZ LYS 29 HZ2 LYS 29 9.403 10.778 16.467 968 3HZ LYS 29 HZ1 LYS 29 10.410 12.067 16.011 969 H SER 30 HN SER 30 15.516 6.039 14.830 970 HA SER 30 HA SER 30 17.225 6.702 12.657 971 1HB SER 30 HB2 SER 30 17.388 4.457 14.679 972 2HB SER 30 HB1 SER 30 18.691 4.877 13.571 973 HG SER 30 HG SER 30 17.451 6.700 15.359 974 H GLU 31 HN GLU 31 15.283 3.775 13.240 975 HA GLU 31 HA GLU 31 16.298 2.257 11.062 976 1HB GLU 31 HB2 GLU 31 13.617 2.225 12.456 977 2HB GLU 31 HB1 GLU 31 14.035 1.084 11.175 978 1HG GLU 31 HG2 GLU 31 16.015 0.361 12.464 979 2HG GLU 31 HG1 GLU 31 15.595 1.498 13.745 980 H LEU 32 HN LEU 32 13.666 4.654 11.161 981 HA LEU 32 HA LEU 32 12.714 4.222 8.513 982 1HB LEU 32 HB2 LEU 32 11.561 5.665 10.186 983 2HB LEU 32 HB1 LEU 32 12.870 6.832 10.059 984 HG LEU 32 HG LEU 32 12.354 7.028 7.587 985 1HD1 LEU 32 HD13 LEU 32 10.124 5.181 8.438 986 2HD1 LEU 32 HD12 LEU 32 9.889 6.302 7.098 987 3HD1 LEU 32 HD11 LEU 32 11.159 5.085 7.015 988 1HD2 LEU 32 HD21 LEU 32 11.542 8.641 9.316 989 2HD2 LEU 32 HD23 LEU 32 10.449 8.505 7.938 990 3HD2 LEU 32 HD22 LEU 32 10.061 7.693 9.455 991 H LYS 33 HN LYS 33 15.211 6.473 9.730 992 HA LYS 33 HA LYS 33 15.944 7.561 7.204 993 1HB LYS 33 HB2 LYS 33 16.675 8.482 9.396 994 2HB LYS 33 HB1 LYS 33 17.708 7.075 9.626 995 1HG LYS 33 HG2 LYS 33 18.965 7.657 7.582 996 2HG LYS 33 HG1 LYS 33 17.931 9.068 7.350 997 1HD LYS 33 HD2 LYS 33 18.674 9.975 9.517 998 2HD LYS 33 HD1 LYS 33 19.702 8.563 9.759 999 1HE LYS 33 HE2 LYS 33 20.971 9.129 7.724 1000 2HE LYS 33 HE1 LYS 33 19.940 10.538 7.470 1001 1HZ LYS 33 HZ3 LYS 33 20.830 10.694 10.077 1002 2HZ LYS 33 HZ2 LYS 33 22.192 10.259 9.159 1003 3HZ LYS 33 HZ1 LYS 33 21.313 11.658 8.768 1004 H GLU 34 HN GLU 34 17.175 4.715 8.966 1005 HA GLU 34 HA GLU 34 19.207 4.030 7.080 1006 1HB GLU 34 HB2 GLU 34 19.022 3.081 9.389 1007 2HB GLU 34 HB1 GLU 34 17.630 2.140 8.849 1008 1HG GLU 34 HG2 GLU 34 19.025 1.044 7.136 1009 2HG GLU 34 HG1 GLU 34 20.420 1.982 7.669 1010 H LEU 35 HN LEU 35 15.775 3.125 7.285 1011 HA LEU 35 HA LEU 35 15.787 1.206 5.185 1012 1HB LEU 35 HB2 LEU 35 13.864 1.587 6.732 1013 2HB LEU 35 HB1 LEU 35 13.569 3.136 5.954 1014 HG LEU 35 HG LEU 35 13.314 1.844 3.757 1015 1HD1 LEU 35 HD12 LEU 35 13.396 -0.445 5.736 1016 2HD1 LEU 35 HD11 LEU 35 12.566 -0.583 4.188 1017 3HD1 LEU 35 HD13 LEU 35 14.298 -0.272 4.231 1018 1HD2 LEU 35 HD22 LEU 35 11.366 1.277 6.012 1019 2HD2 LEU 35 HD21 LEU 35 11.396 2.735 5.020 1020 3HD2 LEU 35 HD23 LEU 35 10.994 1.179 4.292 1021 H ILE 36 HN ILE 36 15.336 4.737 5.135 1022 HA ILE 36 HA ILE 36 14.854 4.989 2.334 1023 HB ILE 36 HB ILE 36 16.087 6.905 4.333 1024 1HG1 ILE 36 HG12 ILE 36 13.346 6.923 3.038 1025 2HG1 ILE 36 HG11 ILE 36 13.667 6.151 4.592 1026 1HG2 ILE 36 HG23 ILE 36 15.334 7.265 1.425 1027 2HG2 ILE 36 HG22 ILE 36 15.405 8.629 2.543 1028 3HG2 ILE 36 HG21 ILE 36 16.855 7.679 2.217 1029 1HD1 ILE 36 HD12 ILE 36 14.424 9.031 4.073 1030 2HD1 ILE 36 HD11 ILE 36 12.818 8.587 4.650 1031 3HD1 ILE 36 HD13 ILE 36 14.240 8.210 5.623 1032 H ASN 37 HN ASN 37 17.876 5.107 4.212 1033 HA ASN 37 HA ASN 37 19.638 5.695 2.070 1034 1HB ASN 37 HB2 ASN 37 20.045 4.192 4.657 1035 2HB ASN 37 HB1 ASN 37 21.369 4.548 3.546 1036 1HD2 ASN 37 HD22 ASN 37 21.258 8.093 4.176 1037 2HD2 ASN 37 HD21 ASN 37 21.618 6.955 2.969 1038 H ASN 38 HN ASN 38 18.459 2.538 3.232 1039 HA ASN 38 HA ASN 38 20.096 0.757 1.929 1040 1HB ASN 38 HB2 ASN 38 17.092 0.736 2.227 1041 2HB ASN 38 HB1 ASN 38 17.951 -0.613 1.481 1042 1HD2 ASN 38 HD22 ASN 38 19.711 -1.413 4.582 1043 2HD2 ASN 38 HD21 ASN 38 20.035 -1.255 2.924 1044 H GLU 39 HN GLU 39 17.030 1.385 0.214 1045 HA GLU 39 HA GLU 39 18.570 2.070 -2.243 1046 1HB GLU 39 HB2 GLU 39 16.621 -0.242 -2.030 1047 2HB GLU 39 HB1 GLU 39 17.259 0.392 -3.548 1048 1HG GLU 39 HG2 GLU 39 19.567 -0.085 -2.748 1049 2HG GLU 39 HG1 GLU 39 18.890 -0.789 -1.280 1050 H LEU 40 HN LEU 40 16.023 2.722 -0.218 1051 HA LEU 40 HA LEU 40 14.125 3.566 -2.314 1052 1HB LEU 40 HB2 LEU 40 14.142 3.513 0.691 1053 2HB LEU 40 HB1 LEU 40 13.031 4.622 -0.110 1054 HG LEU 40 HG LEU 40 12.181 2.658 -1.460 1055 1HD1 LEU 40 HD11 LEU 40 13.904 1.141 0.525 1056 2HD1 LEU 40 HD13 LEU 40 12.697 0.400 -0.526 1057 3HD1 LEU 40 HD12 LEU 40 14.115 1.182 -1.225 1058 1HD2 LEU 40 HD21 LEU 40 11.050 3.510 0.602 1059 2HD2 LEU 40 HD23 LEU 40 10.809 1.781 0.357 1060 3HD2 LEU 40 HD22 LEU 40 11.976 2.348 1.552 1061 H SER 41 HN SER 41 16.936 4.816 -0.971 1062 HA SER 41 HA SER 41 16.236 7.599 -0.743 1063 1HB SER 41 HB2 SER 41 18.677 7.999 -0.928 1064 2HB SER 41 HB1 SER 41 18.315 6.721 0.227 1065 HG SER 41 HG SER 41 19.974 6.493 -1.659 1066 H HIS 42 HN HIS 42 17.433 5.608 -3.438 1067 HA HIS 42 HA HIS 42 17.817 7.748 -5.287 1068 1HB HIS 42 HB2 HIS 42 17.111 4.832 -5.705 1069 2HB HIS 42 HB1 HIS 42 17.466 5.937 -7.033 1070 HD1 HIS 42 HD1 HIS 42 19.076 3.993 -4.295 1071 HD2 HIS 42 HD2 HIS 42 20.198 6.889 -7.080 1072 HE1 HIS 42 HE1 HIS 42 21.611 4.035 -4.307 1073 HE2 HIS 42 HE2 HIS 42 22.302 5.794 -5.998 1074 H PHE 43 HN PHE 43 14.945 5.792 -4.521 1075 HA PHE 43 HA PHE 43 13.306 6.980 -6.575 1076 1HB PHE 43 HB2 PHE 43 12.895 4.775 -5.305 1077 2HB PHE 43 HB1 PHE 43 12.252 5.783 -4.007 1078 HD1 PHE 43 HD2 PHE 43 11.820 4.757 -7.535 1079 HD2 PHE 43 HD1 PHE 43 10.131 6.936 -4.240 1080 HE1 PHE 43 HE2 PHE 43 9.673 4.943 -8.761 1081 HE2 PHE 43 HE1 PHE 43 7.983 7.123 -5.469 1082 HZ PHE 43 HZ PHE 43 7.754 6.126 -7.728 1083 H LEU 44 HN LEU 44 13.823 7.712 -3.132 1084 HA LEU 44 HA LEU 44 11.997 10.058 -3.361 1085 1HB LEU 44 HB2 LEU 44 13.296 8.652 -1.019 1086 2HB LEU 44 HB1 LEU 44 12.462 10.193 -0.843 1087 HG LEU 44 HG LEU 44 11.099 7.844 -2.173 1088 1HD1 LEU 44 HD11 LEU 44 11.202 8.475 0.793 1089 2HD1 LEU 44 HD13 LEU 44 10.096 7.320 0.049 1090 3HD1 LEU 44 HD12 LEU 44 11.836 7.026 0.012 1091 1HD2 LEU 44 HD22 LEU 44 10.176 10.365 -0.752 1092 2HD2 LEU 44 HD21 LEU 44 9.916 9.927 -2.439 1093 3HD2 LEU 44 HD23 LEU 44 9.087 9.048 -1.162 1094 H GLU 45 HN GLU 45 12.767 12.100 -3.453 1095 HA GLU 45 HA GLU 45 15.696 12.505 -3.503 1096 1HB GLU 45 HB2 GLU 45 13.901 13.491 -5.157 1097 2HB GLU 45 HB1 GLU 45 13.644 14.687 -3.890 1098 1HG GLU 45 HG2 GLU 45 16.058 15.250 -3.941 1099 2HG GLU 45 HG1 GLU 45 16.300 14.059 -5.216 1100 H GLU 46 HN GLU 46 14.929 15.420 -2.617 1101 HA GLU 46 HA GLU 46 15.294 16.590 -0.602 1102 1HB GLU 46 HB2 GLU 46 13.231 14.537 0.261 1103 2HB GLU 46 HB1 GLU 46 13.608 16.027 1.128 1104 1HG GLU 46 HG2 GLU 46 12.924 17.364 -0.803 1105 2HG GLU 46 HG1 GLU 46 12.605 15.898 -1.730 1106 H ILE 47 HN ILE 47 14.721 14.965 2.003 1107 HA ILE 47 HA ILE 47 16.188 14.179 3.677 1108 HB ILE 47 HB ILE 47 16.905 12.182 1.515 1109 1HG1 ILE 47 HG12 ILE 47 14.495 12.382 1.491 1110 2HG1 ILE 47 HG11 ILE 47 14.900 10.912 2.376 1111 1HG2 ILE 47 HG23 ILE 47 16.803 12.108 4.541 1112 2HG2 ILE 47 HG22 ILE 47 16.875 10.647 3.556 1113 3HG2 ILE 47 HG21 ILE 47 18.193 11.815 3.498 1114 1HD1 ILE 47 HD11 ILE 47 14.813 12.443 4.491 1115 2HD1 ILE 47 HD13 ILE 47 13.913 13.547 3.449 1116 3HD1 ILE 47 HD12 ILE 47 13.297 11.924 3.759 1117 H LYS 48 HN LYS 48 17.480 16.300 2.866 1118 HA LYS 48 HA LYS 48 20.186 15.500 1.879 1119 1HB LYS 48 HB2 LYS 48 18.816 18.186 2.133 1120 2HB LYS 48 HB1 LYS 48 20.510 17.992 1.684 1121 1HG LYS 48 HG2 LYS 48 19.867 16.636 -0.257 1122 2HG LYS 48 HG1 LYS 48 18.169 16.755 0.204 1123 1HD LYS 48 HD2 LYS 48 18.665 18.390 -1.550 1124 2HD LYS 48 HD1 LYS 48 18.290 19.223 -0.044 1125 1HE LYS 48 HE2 LYS 48 21.162 18.566 -0.650 1126 2HE LYS 48 HE1 LYS 48 20.408 19.936 -1.465 1127 1HZ LYS 48 HZ1 LYS 48 19.831 19.856 1.339 1128 2HZ LYS 48 HZ3 LYS 48 21.493 19.973 1.022 1129 3HZ LYS 48 HZ2 LYS 48 20.424 21.133 0.389 1130 H GLU 49 HN GLU 49 18.522 16.487 4.775 1131 HA GLU 49 HA GLU 49 21.163 16.603 6.186 1132 1HB GLU 49 HB2 GLU 49 18.882 18.568 6.528 1133 2HB GLU 49 HB1 GLU 49 20.309 18.489 7.562 1134 1HG GLU 49 HG2 GLU 49 21.754 18.913 5.605 1135 2HG GLU 49 HG1 GLU 49 20.325 19.002 4.573 1136 H GLN 50 HN GLN 50 21.008 16.201 8.484 1137 HA GLN 50 HA GLN 50 19.298 13.991 9.146 1138 1HB GLN 50 HB2 GLN 50 21.052 15.806 10.822 1139 2HB GLN 50 HB1 GLN 50 20.226 14.391 11.473 1140 1HG GLN 50 HG2 GLN 50 21.423 12.918 10.000 1141 2HG GLN 50 HG1 GLN 50 22.094 14.274 9.094 1142 1HE2 GLN 50 HE22 GLN 50 23.530 13.702 12.914 1143 2HE2 GLN 50 HE21 GLN 50 21.894 13.384 12.594 1144 H GLU 51 HN GLU 51 19.203 17.440 9.992 1145 HA GLU 51 HA GLU 51 17.081 17.326 11.877 1146 1HB GLU 51 HB2 GLU 51 17.934 19.509 9.963 1147 2HB GLU 51 HB1 GLU 51 16.686 19.736 11.186 1148 1HG GLU 51 HG2 GLU 51 19.484 18.769 11.827 1149 2HG GLU 51 HG1 GLU 51 19.003 20.464 11.898 1150 H VAL 52 HN VAL 52 17.027 17.597 8.349 1151 HA VAL 52 HA VAL 52 14.261 18.123 8.045 1152 HB VAL 52 HB VAL 52 16.237 16.653 6.284 1153 1HG1 VAL 52 HG12 VAL 52 13.385 17.509 5.736 1154 2HG1 VAL 52 HG11 VAL 52 14.551 17.176 4.455 1155 3HG1 VAL 52 HG13 VAL 52 14.076 15.894 5.569 1156 1HG2 VAL 52 HG22 VAL 52 16.612 19.082 6.813 1157 2HG2 VAL 52 HG21 VAL 52 16.353 18.762 5.098 1158 3HG2 VAL 52 HG23 VAL 52 15.049 19.433 6.077 1159 H VAL 53 HN VAL 53 15.969 14.997 8.362 1160 HA VAL 53 HA VAL 53 13.701 13.358 7.829 1161 HB VAL 53 HB VAL 53 16.141 12.880 9.558 1162 1HG1 VAL 53 HG13 VAL 53 13.829 11.072 8.839 1163 2HG1 VAL 53 HG12 VAL 53 15.423 10.420 9.213 1164 3HG1 VAL 53 HG11 VAL 53 14.548 11.354 10.424 1165 1HG2 VAL 53 HG23 VAL 53 15.327 12.068 6.751 1166 2HG2 VAL 53 HG22 VAL 53 16.668 13.117 7.209 1167 3HG2 VAL 53 HG21 VAL 53 16.724 11.397 7.593 1168 H ASP 54 HN ASP 54 14.868 14.751 10.909 1169 HA ASP 54 HA ASP 54 12.893 13.485 12.554 1170 1HB ASP 54 HB2 ASP 54 14.476 16.040 12.906 1171 2HB ASP 54 HB1 ASP 54 13.422 15.380 14.155 1172 H LYS 55 HN LYS 55 12.884 16.644 10.899 1173 HA LYS 55 HA LYS 55 10.342 17.464 11.988 1174 1HB LYS 55 HB2 LYS 55 12.093 18.394 9.726 1175 2HB LYS 55 HB1 LYS 55 10.436 18.986 9.800 1176 1HG LYS 55 HG2 LYS 55 11.771 20.583 10.970 1177 2HG LYS 55 HG1 LYS 55 10.913 19.676 12.210 1178 1HD LYS 55 HD2 LYS 55 12.921 18.242 12.518 1179 2HD LYS 55 HD1 LYS 55 13.766 19.207 11.308 1180 1HE LYS 55 HE2 LYS 55 12.523 20.480 13.746 1181 2HE LYS 55 HE1 LYS 55 14.163 19.831 13.774 1182 1HZ LYS 55 HZ3 LYS 55 14.649 21.242 11.820 1183 2HZ LYS 55 HZ2 LYS 55 13.113 21.949 11.981 1184 3HZ LYS 55 HZ1 LYS 55 14.268 22.131 13.213 1185 H VAL 56 HN VAL 56 11.260 15.806 8.987 1186 HA VAL 56 HA VAL 56 8.733 15.898 7.711 1187 HB VAL 56 HB VAL 56 10.944 13.834 7.598 1188 1HG1 VAL 56 HG13 VAL 56 8.359 14.050 6.054 1189 2HG1 VAL 56 HG12 VAL 56 9.779 13.281 5.346 1190 3HG1 VAL 56 HG11 VAL 56 9.067 12.629 6.821 1191 1HG2 VAL 56 HG21 VAL 56 11.210 16.315 6.797 1192 2HG2 VAL 56 HG23 VAL 56 11.730 15.015 5.725 1193 3HG2 VAL 56 HG22 VAL 56 10.183 15.816 5.454 1194 H MET 57 HN MET 57 10.008 13.474 10.011 1195 HA MET 57 HA MET 57 7.818 11.683 9.801 1196 1HB MET 57 HB2 MET 57 9.668 12.278 12.125 1197 2HB MET 57 HB1 MET 57 8.494 10.957 12.127 1198 1HG MET 57 HG2 MET 57 9.534 10.050 10.063 1199 2HG MET 57 HG1 MET 57 10.720 11.348 10.107 1200 1HE MET 57 HE2 MET 57 9.012 8.582 11.751 1201 2HE MET 57 HE1 MET 57 10.294 7.558 12.388 1202 3HE MET 57 HE3 MET 57 9.562 8.800 13.409 1203 H GLU 58 HN GLU 58 8.240 14.520 11.942 1204 HA GLU 58 HA GLU 58 5.804 14.103 13.387 1205 1HB GLU 58 HB2 GLU 58 7.561 15.660 14.157 1206 2HB GLU 58 HB1 GLU 58 7.209 16.723 12.794 1207 1HG GLU 58 HG2 GLU 58 4.936 17.083 13.600 1208 2HG GLU 58 HG1 GLU 58 5.178 15.913 14.897 1209 H THR 59 HN THR 59 6.472 16.060 10.464 1210 HA THR 59 HA THR 59 3.755 16.997 10.221 1211 HB THR 59 HB THR 59 5.892 16.707 8.087 1212 HG1 THR 59 HG1 THR 59 6.046 19.019 8.562 1213 1HG2 THR 59 HG23 THR 59 3.307 18.287 8.178 1214 2HG2 THR 59 HG22 THR 59 4.559 18.505 6.954 1215 3HG2 THR 59 HG21 THR 59 3.701 16.969 7.073 1216 H LEU 60 HN LEU 60 5.530 14.344 8.643 1217 HA LEU 60 HA LEU 60 3.271 13.491 7.080 1218 1HB LEU 60 HB2 LEU 60 5.821 12.973 6.786 1219 2HB LEU 60 HB1 LEU 60 5.503 11.638 7.890 1220 HG LEU 60 HG LEU 60 3.445 11.203 6.228 1221 1HD1 LEU 60 HD11 LEU 60 5.499 12.612 4.490 1222 2HD1 LEU 60 HD13 LEU 60 4.109 11.708 3.890 1223 3HD1 LEU 60 HD12 LEU 60 3.864 13.179 4.831 1224 1HD2 LEU 60 HD21 LEU 60 6.344 10.421 5.907 1225 2HD2 LEU 60 HD23 LEU 60 4.998 9.468 6.533 1226 3HD2 LEU 60 HD22 LEU 60 5.112 9.799 4.805 1227 H ASP 61 HN ASP 61 4.495 12.559 10.280 1228 HA ASP 61 HA ASP 61 2.740 10.289 10.574 1229 1HB ASP 61 HB2 ASP 61 4.795 10.670 11.955 1230 2HB ASP 61 HB1 ASP 61 3.955 11.991 12.771 1231 H GLU 62 HN GLU 62 0.582 10.360 10.783 1232 HA GLU 62 HA GLU 62 -0.870 12.814 11.116 1233 1HB GLU 62 HB2 GLU 62 -1.726 9.916 11.301 1234 2HB GLU 62 HB1 GLU 62 -2.853 11.270 11.383 1235 1HG GLU 62 HG2 GLU 62 -0.917 10.850 9.090 1236 2HG GLU 62 HG1 GLU 62 -2.584 10.274 9.074 1237 H ASP 63 HN ASP 63 -0.063 10.179 13.391 1238 HA ASP 63 HA ASP 63 -1.447 11.657 15.569 1239 1HB ASP 63 HB2 ASP 63 -0.894 9.629 16.925 1240 2HB ASP 63 HB1 ASP 63 -1.862 9.272 15.496 1241 H GLY 64 HN GLY 64 1.737 11.248 14.306 1242 1HA GLY 64 HA2 GLY 64 3.848 11.846 15.170 1243 2HA GLY 64 HA1 GLY 64 2.955 13.188 15.884 1244 H ASP 65 HN ASP 65 3.179 9.663 16.513 1245 HA ASP 65 HA ASP 65 3.064 10.209 19.419 1246 1HB ASP 65 HB2 ASP 65 2.867 7.791 19.653 1247 2HB ASP 65 HB1 ASP 65 1.762 8.334 18.389 1248 H GLY 66 HN GLY 66 5.475 10.179 17.145 1249 1HA GLY 66 HA2 GLY 66 7.808 10.406 17.617 1250 2HA GLY 66 HA1 GLY 66 7.532 9.729 19.224 1251 H GLU 67 HN GLU 67 5.860 7.670 17.428 1252 HA GLU 67 HA GLU 67 8.197 5.982 16.604 1253 1HB GLU 67 HB2 GLU 67 5.733 5.039 18.114 1254 2HB GLU 67 HB1 GLU 67 7.049 4.018 17.542 1255 1HG GLU 67 HG2 GLU 67 7.602 4.387 19.801 1256 2HG GLU 67 HG1 GLU 67 8.595 5.564 18.943 1257 H CYS 68 HN CYS 68 7.841 4.886 14.659 1258 HA CYS 68 HA CYS 68 5.313 5.576 13.247 1259 1HB CYS 68 HB2 CYS 68 7.281 5.978 11.941 1260 2HB CYS 68 HB1 CYS 68 7.935 4.387 12.314 1261 HG CYS 68 HG CYS 68 6.538 3.384 10.520 1262 H ASP 69 HN ASP 69 3.676 4.179 13.563 1263 HA ASP 69 HA ASP 69 4.206 1.347 14.209 1264 1HB ASP 69 HB2 ASP 69 1.669 2.994 14.017 1265 2HB ASP 69 HB1 ASP 69 1.676 1.267 14.375 1266 H PHE 70 HN PHE 70 2.799 -0.308 12.988 1267 HA PHE 70 HA PHE 70 3.496 -0.279 10.229 1268 1HB PHE 70 HB2 PHE 70 2.956 -2.351 11.488 1269 2HB PHE 70 HB1 PHE 70 1.271 -1.839 11.586 1270 HD1 PHE 70 HD1 PHE 70 -0.121 -1.684 9.532 1271 HD2 PHE 70 HD2 PHE 70 3.892 -3.212 9.442 1272 HE1 PHE 70 HE1 PHE 70 -0.545 -2.667 7.294 1273 HE2 PHE 70 HE2 PHE 70 3.469 -4.194 7.205 1274 HZ PHE 70 HZ PHE 70 1.251 -3.921 6.130 1275 H GLN 71 HN GLN 71 0.457 0.550 11.895 1276 HA GLN 71 HA GLN 71 -1.098 1.076 9.559 1277 1HB GLN 71 HB2 GLN 71 -2.040 0.947 11.867 1278 2HB GLN 71 HB1 GLN 71 -1.235 2.467 12.258 1279 1HG GLN 71 HG2 GLN 71 -2.513 3.596 10.456 1280 2HG GLN 71 HG1 GLN 71 -3.336 2.076 10.106 1281 1HE2 GLN 71 HE22 GLN 71 -5.817 3.054 12.422 1282 2HE2 GLN 71 HE21 GLN 71 -5.458 2.612 10.823 1283 H GLU 72 HN GLU 72 1.034 3.145 11.511 1284 HA GLU 72 HA GLU 72 0.641 5.534 9.954 1285 1HB GLU 72 HB2 GLU 72 2.925 4.649 11.744 1286 2HB GLU 72 HB1 GLU 72 2.795 6.260 11.037 1287 1HG GLU 72 HG2 GLU 72 0.619 6.581 12.155 1288 2HG GLU 72 HG1 GLU 72 0.746 4.970 12.864 1289 H PHE 73 HN PHE 73 2.954 2.864 9.824 1290 HA PHE 73 HA PHE 73 4.665 3.911 7.806 1291 1HB PHE 73 HB2 PHE 73 5.184 1.868 9.126 1292 2HB PHE 73 HB1 PHE 73 3.889 1.014 8.287 1293 HD1 PHE 73 HD2 PHE 73 4.097 0.407 5.919 1294 HD2 PHE 73 HD1 PHE 73 7.246 2.483 7.975 1295 HE1 PHE 73 HE2 PHE 73 5.655 -0.107 4.057 1296 HE2 PHE 73 HE1 PHE 73 8.802 1.971 6.115 1297 HZ PHE 73 HZ PHE 73 8.006 0.675 4.156 1298 H MET 74 HN MET 74 1.605 2.127 7.624 1299 HA MET 74 HA MET 74 1.576 1.739 4.802 1300 1HB MET 74 HB2 MET 74 -0.123 1.138 6.915 1301 2HB MET 74 HB1 MET 74 -1.059 2.347 6.045 1302 1HG MET 74 HG2 MET 74 0.100 -0.207 4.889 1303 2HG MET 74 HG1 MET 74 -1.603 0.120 5.203 1304 1HE MET 74 HE2 MET 74 0.147 -0.762 2.612 1305 2HE MET 74 HE1 MET 74 -1.610 -0.789 2.500 1306 3HE MET 74 HE3 MET 74 -0.655 0.048 1.270 1307 H ALA 75 HN ALA 75 0.562 4.469 6.837 1308 HA ALA 75 HA ALA 75 -0.558 6.098 4.770 1309 1HB ALA 75 HB3 ALA 75 -0.708 6.517 7.273 1310 2HB ALA 75 HB2 ALA 75 0.957 7.093 7.201 1311 3HB ALA 75 HB1 ALA 75 -0.308 7.938 6.309 1312 H PHE 76 HN PHE 76 2.741 5.627 5.926 1313 HA PHE 76 HA PHE 76 4.014 7.749 4.537 1314 1HB PHE 76 HB2 PHE 76 5.058 6.284 6.295 1315 2HB PHE 76 HB1 PHE 76 5.144 4.991 5.104 1316 HD1 PHE 76 HD1 PHE 76 6.458 5.400 2.945 1317 HD2 PHE 76 HD2 PHE 76 6.731 7.958 6.384 1318 HE1 PHE 76 HE1 PHE 76 8.606 6.307 2.104 1319 HE2 PHE 76 HE2 PHE 76 8.871 8.871 5.538 1320 HZ PHE 76 HZ PHE 76 9.812 8.045 3.399 1321 H VAL 77 HN VAL 77 3.514 4.346 3.496 1322 HA VAL 77 HA VAL 77 4.697 4.783 0.902 1323 HB VAL 77 HB VAL 77 2.733 2.650 1.787 1324 1HG1 VAL 77 HG13 VAL 77 4.525 2.947 -0.633 1325 2HG1 VAL 77 HG12 VAL 77 3.846 1.398 -0.134 1326 3HG1 VAL 77 HG11 VAL 77 2.777 2.718 -0.607 1327 1HG2 VAL 77 HG22 VAL 77 5.753 2.842 1.825 1328 2HG2 VAL 77 HG21 VAL 77 4.671 2.481 3.170 1329 3HG2 VAL 77 HG23 VAL 77 4.909 1.295 1.888 1330 H SER 78 HN SER 78 1.313 4.800 2.050 1331 HA SER 78 HA SER 78 0.126 5.107 -0.526 1332 1HB SER 78 HB2 SER 78 -1.188 4.499 1.453 1333 2HB SER 78 HB1 SER 78 -0.872 6.079 2.165 1334 HG SER 78 HG SER 78 -1.774 6.557 -0.231 1335 H MET 79 HN MET 79 0.951 7.630 1.893 1336 HA MET 79 HA MET 79 0.117 9.825 0.278 1337 1HB MET 79 HB2 MET 79 0.672 9.962 2.719 1338 2HB MET 79 HB1 MET 79 2.379 9.824 2.295 1339 1HG MET 79 HG2 MET 79 2.304 11.876 1.026 1340 2HG MET 79 HG1 MET 79 0.550 11.968 1.182 1341 1HE MET 79 HE1 MET 79 1.518 14.256 1.523 1342 2HE MET 79 HE3 MET 79 0.248 14.452 2.739 1343 3HE MET 79 HE2 MET 79 1.899 14.950 3.096 1344 H VAL 80 HN VAL 80 3.268 8.206 0.540 1345 HA VAL 80 HA VAL 80 4.658 9.968 -1.247 1346 HB VAL 80 HB VAL 80 5.143 7.116 -0.353 1347 1HG1 VAL 80 HG12 VAL 80 6.857 8.859 -2.150 1348 2HG1 VAL 80 HG11 VAL 80 7.445 7.419 -1.319 1349 3HG1 VAL 80 HG13 VAL 80 6.187 7.276 -2.540 1350 1HG2 VAL 80 HG21 VAL 80 5.380 9.082 1.237 1351 2HG2 VAL 80 HG23 VAL 80 6.840 8.114 1.028 1352 3HG2 VAL 80 HG22 VAL 80 6.683 9.664 0.201 1353 H THR 81 HN THR 81 3.112 6.784 -1.824 1354 HA THR 81 HA THR 81 3.699 6.771 -4.638 1355 HB THR 81 HB THR 81 1.484 5.345 -3.130 1356 HG1 THR 81 HG1 THR 81 4.154 4.670 -3.793 1357 1HG2 THR 81 HG22 THR 81 2.707 4.915 -5.869 1358 2HG2 THR 81 HG21 THR 81 1.649 3.752 -5.068 1359 3HG2 THR 81 HG23 THR 81 1.033 5.344 -5.514 1360 H THR 82 HN THR 82 0.754 7.678 -2.833 1361 HA THR 82 HA THR 82 -0.785 8.380 -5.142 1362 HB THR 82 HB THR 82 -0.993 9.443 -2.307 1363 HG1 THR 82 HG1 THR 82 -1.193 7.173 -2.508 1364 1HG2 THR 82 HG23 THR 82 -2.802 9.581 -4.720 1365 2HG2 THR 82 HG22 THR 82 -3.443 9.703 -3.082 1366 3HG2 THR 82 HG21 THR 82 -2.279 10.893 -3.663 1367 H ALA 83 HN ALA 83 1.375 10.267 -3.061 1368 HA ALA 83 HA ALA 83 0.830 12.842 -4.087 1369 1HB ALA 83 HB3 ALA 83 3.410 11.666 -3.028 1370 2HB ALA 83 HB2 ALA 83 3.171 13.384 -3.346 1371 3HB ALA 83 HB1 ALA 83 2.200 12.569 -2.118 1372 H CYS 84 HN CYS 84 2.542 10.202 -5.603 1373 HA CYS 84 HA CYS 84 4.063 11.844 -7.442 1374 1HB CYS 84 HB2 CYS 84 4.649 9.824 -8.532 1375 2HB CYS 84 HB1 CYS 84 4.457 9.365 -6.841 1376 HG CYS 84 HG CYS 84 3.070 7.648 -8.213 1377 H HIS 85 HN HIS 85 0.925 10.203 -7.621 1378 HA HIS 85 HA HIS 85 -0.760 10.266 -9.245 1379 1HB HIS 85 HB2 HIS 85 -1.425 12.589 -9.885 1380 2HB HIS 85 HB1 HIS 85 -1.195 12.381 -8.152 1381 HD1 HIS 85 HD1 HIS 85 1.073 13.341 -7.141 1382 HD2 HIS 85 HD2 HIS 85 0.281 14.467 -11.076 1383 HE1 HIS 85 HE1 HIS 85 2.608 15.292 -7.652 1384 HE2 HIS 85 HE2 HIS 85 2.132 15.985 -10.045 1385 H GLU 86 HN GLU 86 -1.254 11.472 -11.550 1386 HA GLU 86 HA GLU 86 -0.751 11.156 -13.830 1387 1HB GLU 86 HB2 GLU 86 1.554 12.732 -12.687 1388 2HB GLU 86 HB1 GLU 86 1.510 12.328 -14.403 1389 1HG GLU 86 HG2 GLU 86 -0.797 13.676 -12.983 1390 2HG GLU 86 HG1 GLU 86 0.488 14.577 -13.789 1391 H PHE 87 HN PHE 87 1.559 10.664 -15.215 1392 HA PHE 87 HA PHE 87 2.254 7.915 -14.290 1393 1HB PHE 87 HB2 PHE 87 2.972 9.064 -16.986 1394 2HB PHE 87 HB1 PHE 87 2.643 7.387 -16.541 1395 HD1 PHE 87 HD2 PHE 87 0.207 6.966 -15.536 1396 HD2 PHE 87 HD1 PHE 87 1.281 10.261 -18.078 1397 HE1 PHE 87 HE2 PHE 87 -2.174 7.263 -16.162 1398 HE2 PHE 87 HE1 PHE 87 -1.100 10.556 -18.699 1399 HZ PHE 87 HZ PHE 87 -2.828 9.057 -17.742 1400 H PHE 88 HN PHE 88 4.302 7.506 -13.544 1401 HA PHE 88 HA PHE 88 6.248 9.716 -13.474 1402 1HB PHE 88 HB2 PHE 88 5.859 8.156 -11.527 1403 2HB PHE 88 HB1 PHE 88 6.586 6.869 -12.488 1404 HD1 PHE 88 HD1 PHE 88 8.971 7.005 -13.177 1405 HD2 PHE 88 HD2 PHE 88 7.198 9.912 -10.559 1406 HE1 PHE 88 HE1 PHE 88 11.231 7.781 -12.508 1407 HE2 PHE 88 HE2 PHE 88 9.456 10.689 -9.891 1408 HZ PHE 88 HZ PHE 88 11.472 9.623 -10.865 1409 H GLU 89 HN GLU 89 7.951 9.916 -14.882 1410 HA GLU 89 HA GLU 89 8.233 7.872 -17.008 1411 1HB GLU 89 HB2 GLU 89 8.177 10.286 -17.594 1412 2HB GLU 89 HB1 GLU 89 9.635 10.539 -16.638 1413 1HG GLU 89 HG2 GLU 89 10.867 8.967 -18.089 1414 2HG GLU 89 HG1 GLU 89 9.408 8.704 -19.043 1415 H HIS 90 HN HIS 90 9.452 6.149 -16.336 1416 HA HIS 90 HA HIS 90 11.586 6.358 -14.402 1417 1HB HIS 90 HB2 HIS 90 10.237 4.272 -14.922 1418 2HB HIS 90 HB1 HIS 90 11.170 4.132 -16.412 1419 HD1 HIS 90 HD1 HIS 90 12.112 4.826 -12.767 1420 HD2 HIS 90 HD2 HIS 90 13.265 2.401 -15.959 1421 HE1 HIS 90 HE1 HIS 90 14.067 3.438 -11.944 1422 HE2 HIS 90 HE2 HIS 90 14.776 1.959 -13.881 1423 H GLU 91 HN GLU 91 13.864 6.219 -14.790 1424 HA GLU 91 HA GLU 91 14.912 7.774 -16.874 1425 1HB GLU 91 HB2 GLU 91 16.194 5.521 -15.306 1426 2HB GLU 91 HB1 GLU 91 17.093 6.569 -16.403 1427 1HG GLU 91 HG2 GLU 91 16.308 8.546 -15.103 1428 2HG GLU 91 HG1 GLU 91 15.513 7.452 -13.970 No H/Q in entry = 1428 Start of MODEL 10 1 1H MET 0 HT1 MET 0 18.097 -7.166 -4.237 2 2H MET 0 HT3 MET 0 18.364 -8.714 -4.871 3 3H MET 0 HT2 MET 0 19.160 -7.377 -5.546 4 HA MET 0 HA MET 0 17.515 -7.069 -6.966 5 1HB MET 0 HB2 MET 0 15.641 -8.724 -6.990 6 2HB MET 0 HB1 MET 0 17.224 -9.486 -6.894 7 1HG MET 0 HG2 MET 0 16.909 -9.545 -4.360 8 2HG MET 0 HG1 MET 0 15.234 -9.073 -4.646 9 1HE MET 0 HE3 MET 0 16.659 -11.713 -3.284 10 2HE MET 0 HE2 MET 0 14.927 -11.421 -3.153 11 3HE MET 0 HE1 MET 0 15.506 -12.978 -3.730 12 H SER 1 HN SER 1 17.034 -6.624 -3.662 13 HA SER 1 HA SER 1 15.489 -5.350 -2.435 14 1HB SER 1 HB2 SER 1 16.378 -3.542 -3.767 15 2HB SER 1 HB1 SER 1 15.385 -4.007 -5.149 16 HG SER 1 HG SER 1 13.984 -3.611 -2.825 17 H GLU 2 HN GLU 2 14.020 -7.161 -2.219 18 HA GLU 2 HA GLU 2 11.975 -7.793 -4.108 19 1HB GLU 2 HB2 GLU 2 12.080 -8.146 -1.093 20 2HB GLU 2 HB1 GLU 2 10.805 -8.814 -2.118 21 1HG GLU 2 HG2 GLU 2 12.426 -10.105 -3.390 22 2HG GLU 2 HG1 GLU 2 13.759 -9.363 -2.504 23 H LEU 3 HN LEU 3 12.174 -5.410 -1.517 24 HA LEU 3 HA LEU 3 9.435 -4.619 -1.445 25 1HB LEU 3 HB2 LEU 3 11.511 -3.937 0.049 26 2HB LEU 3 HB1 LEU 3 11.684 -2.631 -1.118 27 HG LEU 3 HG LEU 3 10.358 -1.815 0.723 28 1HD1 LEU 3 HD13 LEU 3 9.683 -1.343 -1.726 29 2HD1 LEU 3 HD12 LEU 3 8.312 -2.407 -1.398 30 3HD1 LEU 3 HD11 LEU 3 8.534 -0.938 -0.455 31 1HD2 LEU 3 HD23 LEU 3 9.537 -4.321 1.220 32 2HD2 LEU 3 HD22 LEU 3 8.620 -2.923 1.762 33 3HD2 LEU 3 HD21 LEU 3 8.130 -3.778 0.306 34 H GLU 4 HN GLU 4 12.176 -3.479 -3.446 35 HA GLU 4 HA GLU 4 10.700 -1.492 -4.874 36 1HB GLU 4 HB2 GLU 4 13.154 -1.576 -4.977 37 2HB GLU 4 HB1 GLU 4 13.089 -3.129 -5.815 38 1HG GLU 4 HG2 GLU 4 11.907 -2.081 -7.702 39 2HG GLU 4 HG1 GLU 4 11.871 -0.541 -6.848 40 H LYS 5 HN LYS 5 11.177 -4.956 -5.461 41 HA LYS 5 HA LYS 5 9.897 -5.092 -7.996 42 1HB LYS 5 HB2 LYS 5 10.134 -7.111 -5.753 43 2HB LYS 5 HB1 LYS 5 9.384 -7.499 -7.299 44 1HG LYS 5 HG2 LYS 5 12.139 -6.278 -7.275 45 2HG LYS 5 HG1 LYS 5 11.954 -7.991 -6.916 46 1HD LYS 5 HD2 LYS 5 10.751 -8.315 -9.046 47 2HD LYS 5 HD1 LYS 5 10.935 -6.600 -9.420 48 1HE LYS 5 HE2 LYS 5 13.379 -6.839 -9.391 49 2HE LYS 5 HE1 LYS 5 13.216 -8.542 -8.970 50 1HZ LYS 5 HZ3 LYS 5 11.716 -7.737 -11.301 51 2HZ LYS 5 HZ2 LYS 5 13.400 -7.604 -11.477 52 3HZ LYS 5 HZ1 LYS 5 12.703 -9.096 -11.059 53 H ALA 6 HN ALA 6 8.564 -5.209 -4.710 54 HA ALA 6 HA ALA 6 5.906 -5.934 -5.381 55 1HB ALA 6 HB2 ALA 6 6.943 -5.714 -3.049 56 2HB ALA 6 HB1 ALA 6 6.639 -3.985 -3.186 57 3HB ALA 6 HB3 ALA 6 5.296 -5.119 -3.218 58 H MET 7 HN MET 7 7.333 -2.672 -5.026 59 HA MET 7 HA MET 7 4.919 -1.302 -5.738 60 1HB MET 7 HB2 MET 7 7.822 -0.451 -5.894 61 2HB MET 7 HB1 MET 7 6.477 0.626 -6.259 62 1HG MET 7 HG2 MET 7 5.562 0.254 -3.991 63 2HG MET 7 HG1 MET 7 6.913 -0.816 -3.623 64 1HE MET 7 HE3 MET 7 5.519 2.607 -4.097 65 2HE MET 7 HE2 MET 7 6.859 3.748 -3.989 66 3HE MET 7 HE1 MET 7 6.627 2.807 -5.462 67 H VAL 8 HN VAL 8 7.676 -2.440 -7.672 68 HA VAL 8 HA VAL 8 6.759 -1.264 -10.135 69 HB VAL 8 HB VAL 8 8.590 -3.623 -9.599 70 1HG1 VAL 8 HG12 VAL 8 7.772 -2.248 -12.159 71 2HG1 VAL 8 HG11 VAL 8 9.318 -3.080 -12.023 72 3HG1 VAL 8 HG13 VAL 8 7.814 -3.973 -11.807 73 1HG2 VAL 8 HG21 VAL 8 9.033 -0.689 -10.215 74 2HG2 VAL 8 HG23 VAL 8 9.571 -1.587 -8.798 75 3HG2 VAL 8 HG22 VAL 8 10.308 -1.895 -10.367 76 H ALA 9 HN ALA 9 6.480 -4.582 -8.831 77 HA ALA 9 HA ALA 9 4.973 -5.655 -10.998 78 1HB ALA 9 HB2 ALA 9 6.086 -7.031 -9.260 79 2HB ALA 9 HB1 ALA 9 4.916 -6.459 -8.072 80 3HB ALA 9 HB3 ALA 9 4.380 -7.452 -9.426 81 H LEU 10 HN LEU 10 3.902 -4.083 -7.982 82 HA LEU 10 HA LEU 10 1.119 -4.571 -8.330 83 1HB LEU 10 HB2 LEU 10 2.091 -3.726 -6.222 84 2HB LEU 10 HB1 LEU 10 2.475 -2.194 -6.996 85 HG LEU 10 HG LEU 10 -0.383 -3.096 -7.179 86 1HD1 LEU 10 HD13 LEU 10 0.199 -3.637 -4.829 87 2HD1 LEU 10 HD12 LEU 10 0.797 -1.993 -4.606 88 3HD1 LEU 10 HD11 LEU 10 -0.915 -2.274 -4.925 89 1HD2 LEU 10 HD22 LEU 10 0.576 -0.873 -8.058 90 2HD2 LEU 10 HD21 LEU 10 -0.843 -0.747 -7.031 91 3HD2 LEU 10 HD23 LEU 10 0.754 -0.400 -6.373 92 H ILE 11 HN ILE 11 3.187 -1.948 -9.531 93 HA ILE 11 HA ILE 11 1.037 -0.439 -10.692 94 HB ILE 11 HB ILE 11 4.001 -0.513 -11.330 95 1HG1 ILE 11 HG12 ILE 11 2.337 1.569 -9.886 96 2HG1 ILE 11 HG11 ILE 11 3.196 0.280 -9.048 97 1HG2 ILE 11 HG22 ILE 11 1.762 1.258 -12.345 98 2HG2 ILE 11 HG21 ILE 11 3.453 1.754 -12.394 99 3HG2 ILE 11 HG23 ILE 11 2.925 0.335 -13.299 100 1HD1 ILE 11 HD13 ILE 11 4.512 2.278 -10.910 101 2HD1 ILE 11 HD12 ILE 11 4.490 2.416 -9.152 102 3HD1 ILE 11 HD11 ILE 11 5.325 1.068 -9.919 103 H ASP 12 HN ASP 12 3.166 -2.993 -12.009 104 HA ASP 12 HA ASP 12 2.211 -2.775 -14.706 105 1HB ASP 12 HB2 ASP 12 3.446 -5.088 -13.184 106 2HB ASP 12 HB1 ASP 12 3.078 -5.153 -14.906 107 H VAL 13 HN VAL 13 1.088 -4.726 -11.930 108 HA VAL 13 HA VAL 13 -0.899 -6.182 -13.423 109 HB VAL 13 HB VAL 13 -0.648 -5.550 -10.470 110 1HG1 VAL 13 HG12 VAL 13 -2.693 -7.170 -11.989 111 2HG1 VAL 13 HG11 VAL 13 -2.299 -7.546 -10.312 112 3HG1 VAL 13 HG13 VAL 13 -2.964 -5.967 -10.731 113 1HG2 VAL 13 HG22 VAL 13 1.063 -7.026 -11.611 114 2HG2 VAL 13 HG21 VAL 13 0.170 -7.816 -10.314 115 3HG2 VAL 13 HG23 VAL 13 -0.250 -8.139 -11.995 116 H PHE 14 HN PHE 14 -1.077 -3.168 -11.514 117 HA PHE 14 HA PHE 14 -3.889 -2.787 -11.741 118 1HB PHE 14 HB2 PHE 14 -2.480 -1.477 -10.205 119 2HB PHE 14 HB1 PHE 14 -1.692 -0.703 -11.577 120 HD1 PHE 14 HD1 PHE 14 -4.853 -1.018 -9.686 121 HD2 PHE 14 HD2 PHE 14 -2.807 1.022 -12.866 122 HE1 PHE 14 HE1 PHE 14 -6.658 0.683 -9.759 123 HE2 PHE 14 HE2 PHE 14 -4.614 2.721 -12.937 124 HZ PHE 14 HZ PHE 14 -6.539 2.548 -11.387 125 H HIS 15 HN HIS 15 -1.238 -1.782 -13.894 126 HA HIS 15 HA HIS 15 -2.908 -0.343 -15.732 127 1HB HIS 15 HB2 HIS 15 -0.194 -1.640 -16.030 128 2HB HIS 15 HB1 HIS 15 -0.961 -0.738 -17.331 129 HD1 HIS 15 HD1 HIS 15 1.674 0.042 -15.557 130 HD2 HIS 15 HD2 HIS 15 -2.128 1.748 -15.290 131 HE1 HIS 15 HE1 HIS 15 1.982 2.346 -14.548 132 HE2 HIS 15 HE2 HIS 15 -0.319 3.397 -14.410 133 H GLN 16 HN GLN 16 -1.899 -3.738 -15.579 134 HA GLN 16 HA GLN 16 -2.836 -4.544 -18.131 135 1HB GLN 16 HB2 GLN 16 -1.446 -5.951 -16.654 136 2HB GLN 16 HB1 GLN 16 -2.805 -6.117 -15.543 137 1HG GLN 16 HG2 GLN 16 -4.129 -7.232 -17.282 138 2HG GLN 16 HG1 GLN 16 -2.809 -7.025 -18.435 139 1HE2 GLN 16 HE22 GLN 16 -2.444 -10.442 -16.960 140 2HE2 GLN 16 HE21 GLN 16 -3.596 -9.663 -17.931 141 H TYR 17 HN TYR 17 -4.565 -4.833 -15.000 142 HA TYR 17 HA TYR 17 -7.015 -5.601 -16.322 143 1HB TYR 17 HB2 TYR 17 -6.433 -4.704 -13.496 144 2HB TYR 17 HB1 TYR 17 -8.046 -5.155 -14.046 145 HD1 TYR 17 HD2 TYR 17 -8.394 -7.461 -15.076 146 HD2 TYR 17 HD1 TYR 17 -4.834 -6.367 -12.938 147 HE1 TYR 17 HE2 TYR 17 -7.843 -9.857 -14.770 148 HE2 TYR 17 HE1 TYR 17 -4.282 -8.766 -12.636 149 HH TYR 17 HH TYR 17 -6.485 -11.228 -13.104 150 H SER 18 HN SER 18 -5.802 -2.502 -15.067 151 HA SER 18 HA SER 18 -8.303 -1.140 -15.525 152 1HB SER 18 HB2 SER 18 -7.125 0.861 -14.994 153 2HB SER 18 HB1 SER 18 -6.394 -0.395 -14.002 154 HG SER 18 HG SER 18 -4.609 0.214 -14.929 155 H GLY 19 HN GLY 19 -5.324 -1.457 -17.458 156 1HA GLY 19 HA2 GLY 19 -6.190 0.288 -19.579 157 2HA GLY 19 HA1 GLY 19 -4.903 -0.914 -19.707 158 H ARG 20 HN ARG 20 -7.547 -2.525 -18.593 159 HA ARG 20 HA ARG 20 -7.951 -4.007 -20.992 160 1HB ARG 20 HB2 ARG 20 -8.550 -4.716 -18.608 161 2HB ARG 20 HB1 ARG 20 -9.998 -3.722 -18.783 162 1HG ARG 20 HG2 ARG 20 -10.458 -5.021 -20.932 163 2HG ARG 20 HG1 ARG 20 -9.201 -6.142 -20.418 164 1HD ARG 20 HD2 ARG 20 -10.563 -6.172 -18.158 165 2HD ARG 20 HD1 ARG 20 -11.889 -5.606 -19.170 166 HE ARG 20 HE ARG 20 -10.982 -8.288 -18.978 167 1HH1 ARG 20 HH21 ARG 20 -11.792 -5.961 -21.408 168 2HH1 ARG 20 HH22 ARG 20 -11.938 -7.147 -22.659 169 1HH2 ARG 20 HH11 ARG 20 -11.166 -9.816 -20.591 170 2HH2 ARG 20 HH12 ARG 20 -11.593 -9.326 -22.198 171 H GLU 21 HN GLU 21 -9.712 -1.257 -19.592 172 HA GLU 21 HA GLU 21 -11.327 -1.068 -22.118 173 1HB GLU 21 HB2 GLU 21 -12.004 -0.394 -19.252 174 2HB GLU 21 HB1 GLU 21 -12.940 0.237 -20.609 175 1HG GLU 21 HG2 GLU 21 -13.432 -2.016 -21.380 176 2HG GLU 21 HG1 GLU 21 -12.387 -2.705 -20.137 177 H GLY 22 HN GLY 22 -8.838 0.103 -22.213 178 1HA GLY 22 HA2 GLY 22 -7.829 2.165 -22.688 179 2HA GLY 22 HA1 GLY 22 -9.466 2.782 -22.894 180 H ASP 23 HN ASP 23 -9.444 1.579 -19.820 181 HA ASP 23 HA ASP 23 -8.995 4.304 -18.712 182 1HB ASP 23 HB2 ASP 23 -10.097 1.777 -17.444 183 2HB ASP 23 HB1 ASP 23 -10.016 3.358 -16.664 184 H LYS 24 HN LYS 24 -6.732 4.477 -18.591 185 HA LYS 24 HA LYS 24 -5.224 2.305 -17.225 186 1HB LYS 24 HB2 LYS 24 -4.292 4.842 -18.606 187 2HB LYS 24 HB1 LYS 24 -3.228 3.618 -17.906 188 1HG LYS 24 HG2 LYS 24 -4.167 1.926 -19.435 189 2HG LYS 24 HG1 LYS 24 -5.230 3.147 -20.138 190 1HD LYS 24 HD2 LYS 24 -3.257 4.461 -20.833 191 2HD LYS 24 HD1 LYS 24 -2.199 3.227 -20.143 192 1HE LYS 24 HE2 LYS 24 -3.192 1.545 -21.680 193 2HE LYS 24 HE1 LYS 24 -4.163 2.822 -22.414 194 1HZ LYS 24 HZ3 LYS 24 -1.263 3.195 -22.195 195 2HZ LYS 24 HZ2 LYS 24 -1.864 2.174 -23.414 196 3HZ LYS 24 HZ1 LYS 24 -2.344 3.804 -23.352 197 H HIS 25 HN HIS 25 -6.118 5.712 -16.813 198 HA HIS 25 HA HIS 25 -4.719 5.768 -14.181 199 1HB HIS 25 HB2 HIS 25 -5.958 7.933 -15.895 200 2HB HIS 25 HB1 HIS 25 -5.328 8.221 -14.273 201 HD1 HIS 25 HD1 HIS 25 -4.240 7.321 -17.764 202 HD2 HIS 25 HD2 HIS 25 -2.496 8.151 -14.068 203 HE1 HIS 25 HE1 HIS 25 -1.757 7.608 -18.189 204 HE2 HIS 25 HE2 HIS 25 -0.687 8.117 -15.946 205 H LYS 26 HN LYS 26 -7.697 4.858 -15.269 206 HA LYS 26 HA LYS 26 -9.007 5.696 -12.694 207 1HB LYS 26 HB2 LYS 26 -10.171 5.598 -15.495 208 2HB LYS 26 HB1 LYS 26 -11.172 5.641 -14.047 209 1HG LYS 26 HG2 LYS 26 -11.049 7.922 -14.441 210 2HG LYS 26 HG1 LYS 26 -9.589 7.760 -13.479 211 1HD LYS 26 HD2 LYS 26 -8.229 7.602 -15.506 212 2HD LYS 26 HD1 LYS 26 -9.674 7.636 -16.511 213 1HE LYS 26 HE2 LYS 26 -8.444 9.863 -16.257 214 2HE LYS 26 HE1 LYS 26 -10.171 9.892 -15.891 215 1HZ LYS 26 HZ1 LYS 26 -8.243 9.337 -13.747 216 2HZ LYS 26 HZ3 LYS 26 -8.483 10.939 -14.252 217 3HZ LYS 26 HZ2 LYS 26 -9.790 10.032 -13.654 218 H LEU 27 HN LEU 27 -10.231 4.120 -11.693 219 HA LEU 27 HA LEU 27 -10.050 1.361 -12.855 220 1HB LEU 27 HB2 LEU 27 -8.767 1.708 -10.741 221 2HB LEU 27 HB1 LEU 27 -10.247 2.213 -9.946 222 HG LEU 27 HG LEU 27 -11.245 -0.031 -10.516 223 1HD1 LEU 27 HD11 LEU 27 -8.437 -0.439 -11.551 224 2HD1 LEU 27 HD13 LEU 27 -9.362 -1.804 -10.929 225 3HD1 LEU 27 HD12 LEU 27 -9.968 -0.885 -12.302 226 1HD2 LEU 27 HD21 LEU 27 -8.714 0.035 -8.845 227 2HD2 LEU 27 HD23 LEU 27 -10.342 0.425 -8.289 228 3HD2 LEU 27 HD22 LEU 27 -9.942 -1.229 -8.759 229 H LYS 28 HN LYS 28 -11.970 0.316 -13.199 230 HA LYS 28 HA LYS 28 -14.466 1.790 -12.546 231 1HB LYS 28 HB2 LYS 28 -13.977 0.976 -14.883 232 2HB LYS 28 HB1 LYS 28 -14.124 -0.672 -14.277 233 1HG LYS 28 HG2 LYS 28 -16.414 -0.258 -13.573 234 2HG LYS 28 HG1 LYS 28 -16.282 1.439 -14.044 235 1HD LYS 28 HD2 LYS 28 -15.835 0.720 -16.388 236 2HD LYS 28 HD1 LYS 28 -16.086 -0.953 -15.898 237 1HE LYS 28 HE2 LYS 28 -18.086 1.293 -16.018 238 2HE LYS 28 HE1 LYS 28 -18.195 -0.320 -16.726 239 1HZ LYS 28 HZ3 LYS 28 -17.994 -0.976 -14.186 240 2HZ LYS 28 HZ2 LYS 28 -18.709 0.554 -13.989 241 3HZ LYS 28 HZ1 LYS 28 -19.488 -0.639 -14.915 242 H LYS 29 HN LYS 29 -16.229 0.747 -11.545 243 HA LYS 29 HA LYS 29 -15.643 -0.851 -9.271 244 1HB LYS 29 HB2 LYS 29 -17.595 0.628 -9.474 245 2HB LYS 29 HB1 LYS 29 -18.264 -0.418 -10.723 246 1HG LYS 29 HG2 LYS 29 -17.573 -1.793 -8.163 247 2HG LYS 29 HG1 LYS 29 -18.879 -0.623 -8.043 248 1HD LYS 29 HD2 LYS 29 -18.839 -2.767 -10.182 249 2HD LYS 29 HD1 LYS 29 -19.561 -3.027 -8.597 250 1HE LYS 29 HE2 LYS 29 -20.433 -0.527 -9.946 251 2HE LYS 29 HE1 LYS 29 -20.945 -2.019 -10.732 252 1HZ LYS 29 HZ2 LYS 29 -21.279 -1.493 -7.834 253 2HZ LYS 29 HZ1 LYS 29 -22.480 -1.173 -8.997 254 3HZ LYS 29 HZ3 LYS 29 -21.950 -2.763 -8.741 255 H SER 30 HN SER 30 -16.894 -1.741 -12.471 256 HA SER 30 HA SER 30 -17.514 -4.455 -11.912 257 1HB SER 30 HB2 SER 30 -17.454 -4.782 -14.305 258 2HB SER 30 HB1 SER 30 -18.072 -3.159 -14.019 259 HG SER 30 HG SER 30 -16.064 -3.771 -15.512 260 H GLU 31 HN GLU 31 -14.455 -2.924 -12.883 261 HA GLU 31 HA GLU 31 -12.993 -5.384 -13.155 262 1HB GLU 31 HB2 GLU 31 -12.108 -2.531 -12.673 263 2HB GLU 31 HB1 GLU 31 -10.976 -3.862 -12.918 264 1HG GLU 31 HG2 GLU 31 -11.996 -4.356 -15.097 265 2HG GLU 31 HG1 GLU 31 -13.162 -3.053 -14.863 266 H LEU 32 HN LEU 32 -13.766 -3.324 -10.406 267 HA LEU 32 HA LEU 32 -11.804 -4.289 -8.587 268 1HB LEU 32 HB2 LEU 32 -13.595 -2.380 -8.327 269 2HB LEU 32 HB1 LEU 32 -14.619 -3.664 -7.684 270 HG LEU 32 HG LEU 32 -11.845 -2.992 -6.637 271 1HD1 LEU 32 HD11 LEU 32 -13.443 -1.162 -6.217 272 2HD1 LEU 32 HD13 LEU 32 -14.583 -2.313 -5.521 273 3HD1 LEU 32 HD12 LEU 32 -13.045 -2.002 -4.717 274 1HD2 LEU 32 HD22 LEU 32 -13.979 -4.981 -5.858 275 2HD2 LEU 32 HD21 LEU 32 -12.237 -5.221 -6.005 276 3HD2 LEU 32 HD23 LEU 32 -12.889 -4.338 -4.630 277 H LYS 33 HN LYS 33 -15.157 -5.509 -9.144 278 HA LYS 33 HA LYS 33 -14.969 -7.660 -7.284 279 1HB LYS 33 HB2 LYS 33 -17.106 -6.969 -8.303 280 2HB LYS 33 HB1 LYS 33 -16.548 -7.561 -9.870 281 1HG LYS 33 HG2 LYS 33 -16.466 -9.832 -9.075 282 2HG LYS 33 HG1 LYS 33 -16.710 -9.320 -7.406 283 1HD LYS 33 HD2 LYS 33 -18.816 -10.174 -8.271 284 2HD LYS 33 HD1 LYS 33 -18.956 -8.435 -8.053 285 1HE LYS 33 HE2 LYS 33 -18.092 -9.547 -10.717 286 2HE LYS 33 HE1 LYS 33 -19.803 -9.489 -10.289 287 1HZ LYS 33 HZ3 LYS 33 -18.530 -7.046 -9.638 288 2HZ LYS 33 HZ2 LYS 33 -18.259 -7.428 -11.270 289 3HZ LYS 33 HZ1 LYS 33 -19.845 -7.325 -10.670 290 H GLU 34 HN GLU 34 -14.107 -7.521 -10.728 291 HA GLU 34 HA GLU 34 -13.452 -10.289 -11.000 292 1HB GLU 34 HB2 GLU 34 -12.334 -7.873 -12.450 293 2HB GLU 34 HB1 GLU 34 -12.136 -9.549 -12.970 294 1HG GLU 34 HG2 GLU 34 -14.819 -8.200 -12.553 295 2HG GLU 34 HG1 GLU 34 -14.034 -8.379 -14.123 296 H LEU 35 HN LEU 35 -11.520 -7.496 -9.978 297 HA LEU 35 HA LEU 35 -9.004 -8.811 -9.892 298 1HB LEU 35 HB2 LEU 35 -9.255 -6.370 -9.692 299 2HB LEU 35 HB1 LEU 35 -10.046 -6.566 -8.134 300 HG LEU 35 HG LEU 35 -7.403 -7.934 -8.334 301 1HD1 LEU 35 HD11 LEU 35 -7.012 -5.798 -9.631 302 2HD1 LEU 35 HD13 LEU 35 -7.458 -4.910 -8.173 303 3HD1 LEU 35 HD12 LEU 35 -6.045 -5.959 -8.165 304 1HD2 LEU 35 HD22 LEU 35 -8.830 -7.637 -6.250 305 2HD2 LEU 35 HD21 LEU 35 -7.154 -7.112 -6.096 306 3HD2 LEU 35 HD23 LEU 35 -8.430 -5.920 -6.316 307 H ILE 36 HN ILE 36 -11.501 -8.453 -7.385 308 HA ILE 36 HA ILE 36 -10.123 -9.829 -5.320 309 HB ILE 36 HB ILE 36 -13.089 -9.581 -5.878 310 1HG1 ILE 36 HG12 ILE 36 -11.340 -8.103 -3.890 311 2HG1 ILE 36 HG11 ILE 36 -11.720 -7.478 -5.497 312 1HG2 ILE 36 HG23 ILE 36 -11.571 -10.641 -3.483 313 2HG2 ILE 36 HG22 ILE 36 -13.222 -10.036 -3.355 314 3HG2 ILE 36 HG21 ILE 36 -12.873 -11.425 -4.380 315 1HD1 ILE 36 HD11 ILE 36 -14.159 -7.693 -4.936 316 2HD1 ILE 36 HD13 ILE 36 -13.693 -8.128 -3.291 317 3HD1 ILE 36 HD12 ILE 36 -13.304 -6.531 -3.924 318 H ASN 37 HN ASN 37 -12.291 -11.031 -7.862 319 HA ASN 37 HA ASN 37 -12.377 -13.769 -7.067 320 1HB ASN 37 HB2 ASN 37 -13.858 -12.781 -8.786 321 2HB ASN 37 HB1 ASN 37 -12.471 -12.587 -9.862 322 1HD2 ASN 37 HD22 ASN 37 -13.642 -15.745 -11.104 323 2HD2 ASN 37 HD21 ASN 37 -13.710 -14.070 -11.364 324 H ASN 38 HN ASN 38 -10.055 -12.001 -9.098 325 HA ASN 38 HA ASN 38 -8.570 -14.020 -10.236 326 1HB ASN 38 HB2 ASN 38 -8.122 -11.567 -10.418 327 2HB ASN 38 HB1 ASN 38 -7.357 -11.626 -8.834 328 1HD2 ASN 38 HD22 ASN 38 -4.299 -12.528 -10.278 329 2HD2 ASN 38 HD21 ASN 38 -5.140 -11.642 -9.101 330 H GLU 39 HN GLU 39 -6.847 -12.655 -7.469 331 HA GLU 39 HA GLU 39 -6.833 -15.303 -6.110 332 1HB GLU 39 HB2 GLU 39 -4.450 -13.896 -7.323 333 2HB GLU 39 HB1 GLU 39 -4.236 -14.948 -5.930 334 1HG GLU 39 HG2 GLU 39 -3.873 -16.413 -7.719 335 2HG GLU 39 HG1 GLU 39 -5.569 -16.705 -7.364 336 H LEU 40 HN LEU 40 -8.108 -12.941 -5.207 337 HA LEU 40 HA LEU 40 -6.400 -12.239 -2.841 338 1HB LEU 40 HB2 LEU 40 -6.839 -10.455 -4.814 339 2HB LEU 40 HB1 LEU 40 -8.332 -10.212 -3.919 340 HG LEU 40 HG LEU 40 -6.757 -10.039 -1.825 341 1HD1 LEU 40 HD12 LEU 40 -4.729 -10.765 -3.213 342 2HD1 LEU 40 HD11 LEU 40 -4.824 -9.198 -4.004 343 3HD1 LEU 40 HD13 LEU 40 -4.512 -9.293 -2.274 344 1HD2 LEU 40 HD22 LEU 40 -6.835 -7.882 -3.952 345 2HD2 LEU 40 HD21 LEU 40 -8.075 -8.164 -2.730 346 3HD2 LEU 40 HD23 LEU 40 -6.468 -7.614 -2.251 347 H SER 41 HN SER 41 -8.937 -13.960 -3.667 348 HA SER 41 HA SER 41 -11.050 -12.956 -1.971 349 1HB SER 41 HB2 SER 41 -10.540 -15.741 -3.064 350 2HB SER 41 HB1 SER 41 -12.014 -15.252 -2.238 351 HG SER 41 HG SER 41 -11.547 -13.435 -4.076 352 H HIS 42 HN HIS 42 -8.208 -14.918 -1.422 353 HA HIS 42 HA HIS 42 -8.998 -16.143 1.030 354 1HB HIS 42 HB2 HIS 42 -6.244 -15.254 0.117 355 2HB HIS 42 HB1 HIS 42 -6.557 -16.306 1.495 356 HD1 HIS 42 HD1 HIS 42 -6.379 -16.295 -2.217 357 HD2 HIS 42 HD2 HIS 42 -7.644 -18.895 0.788 358 HE1 HIS 42 HE1 HIS 42 -6.670 -18.565 -3.308 359 HE2 HIS 42 HE2 HIS 42 -7.429 -20.156 -1.485 360 H PHE 43 HN PHE 43 -7.570 -12.959 0.358 361 HA PHE 43 HA PHE 43 -7.250 -12.252 3.135 362 1HB PHE 43 HB2 PHE 43 -7.370 -10.608 0.598 363 2HB PHE 43 HB1 PHE 43 -7.106 -9.888 2.186 364 HD1 PHE 43 HD1 PHE 43 -5.698 -12.091 -0.409 365 HD2 PHE 43 HD2 PHE 43 -5.025 -10.279 3.429 366 HE1 PHE 43 HE1 PHE 43 -3.293 -12.669 -0.558 367 HE2 PHE 43 HE2 PHE 43 -2.616 -10.864 3.280 368 HZ PHE 43 HZ PHE 43 -1.750 -12.058 1.284 369 H LEU 44 HN LEU 44 -9.912 -11.785 0.811 370 HA LEU 44 HA LEU 44 -11.521 -10.476 2.983 371 1HB LEU 44 HB2 LEU 44 -11.864 -10.580 -0.028 372 2HB LEU 44 HB1 LEU 44 -13.120 -9.993 1.052 373 HG LEU 44 HG LEU 44 -11.267 -8.410 1.998 374 1HD1 LEU 44 HD11 LEU 44 -10.043 -9.350 -0.603 375 2HD1 LEU 44 HD13 LEU 44 -9.666 -7.772 0.082 376 3HD1 LEU 44 HD12 LEU 44 -9.289 -9.236 0.987 377 1HD2 LEU 44 HD22 LEU 44 -12.541 -8.119 -0.731 378 2HD2 LEU 44 HD21 LEU 44 -13.134 -7.494 0.807 379 3HD2 LEU 44 HD23 LEU 44 -11.689 -6.800 0.070 380 H GLU 45 HN GLU 45 -13.359 -11.469 3.764 381 HA GLU 45 HA GLU 45 -14.403 -13.892 2.391 382 1HB GLU 45 HB2 GLU 45 -12.743 -14.678 4.089 383 2HB GLU 45 HB1 GLU 45 -13.662 -13.844 5.340 384 1HG GLU 45 HG2 GLU 45 -15.638 -15.227 4.821 385 2HG GLU 45 HG1 GLU 45 -14.739 -16.042 3.546 386 H GLU 46 HN GLU 46 -16.074 -12.146 1.983 387 HA GLU 46 HA GLU 46 -18.275 -12.444 3.804 388 1HB GLU 46 HB2 GLU 46 -16.393 -10.326 4.395 389 2HB GLU 46 HB1 GLU 46 -17.919 -9.587 3.923 390 1HG GLU 46 HG2 GLU 46 -17.738 -11.800 5.991 391 2HG GLU 46 HG1 GLU 46 -17.671 -10.092 6.408 392 H ILE 47 HN ILE 47 -16.980 -11.743 0.864 393 HA ILE 47 HA ILE 47 -19.265 -10.115 -0.126 394 HB ILE 47 HB ILE 47 -16.768 -11.098 -1.551 395 1HG1 ILE 47 HG12 ILE 47 -17.474 -8.308 -0.586 396 2HG1 ILE 47 HG11 ILE 47 -16.450 -9.422 0.325 397 1HG2 ILE 47 HG21 ILE 47 -19.043 -9.284 -2.366 398 2HG2 ILE 47 HG23 ILE 47 -17.484 -9.263 -3.186 399 3HG2 ILE 47 HG22 ILE 47 -18.467 -10.727 -3.191 400 1HD1 ILE 47 HD12 ILE 47 -15.862 -8.654 -2.545 401 2HD1 ILE 47 HD11 ILE 47 -15.217 -7.756 -1.170 402 3HD1 ILE 47 HD13 ILE 47 -14.787 -9.452 -1.397 403 H LYS 48 HN LYS 48 -21.023 -11.122 -0.954 404 HA LYS 48 HA LYS 48 -20.694 -13.831 -2.218 405 1HB LYS 48 HB2 LYS 48 -22.851 -12.841 -0.340 406 2HB LYS 48 HB1 LYS 48 -23.066 -14.255 -1.369 407 1HG LYS 48 HG2 LYS 48 -21.228 -15.397 -0.325 408 2HG LYS 48 HG1 LYS 48 -20.774 -13.948 0.579 409 1HD LYS 48 HD2 LYS 48 -22.826 -14.021 1.853 410 2HD LYS 48 HD1 LYS 48 -23.457 -15.326 0.844 411 1HE LYS 48 HE2 LYS 48 -20.875 -15.631 2.381 412 2HE LYS 48 HE1 LYS 48 -22.438 -15.994 3.119 413 1HZ LYS 48 HZ3 LYS 48 -22.356 -17.169 0.581 414 2HZ LYS 48 HZ2 LYS 48 -20.928 -17.590 1.396 415 3HZ LYS 48 HZ1 LYS 48 -22.438 -17.935 2.091 416 H GLU 49 HN GLU 49 -23.214 -11.332 -1.845 417 HA GLU 49 HA GLU 49 -23.999 -11.708 -4.679 418 1HB GLU 49 HB2 GLU 49 -25.685 -11.687 -2.782 419 2HB GLU 49 HB1 GLU 49 -25.305 -9.980 -2.552 420 1HG GLU 49 HG2 GLU 49 -27.274 -10.158 -3.963 421 2HG GLU 49 HG1 GLU 49 -25.929 -9.571 -4.942 422 H GLN 50 HN GLN 50 -24.184 -9.866 -6.118 423 HA GLN 50 HA GLN 50 -21.981 -8.067 -6.041 424 1HB GLN 50 HB2 GLN 50 -24.584 -7.904 -7.596 425 2HB GLN 50 HB1 GLN 50 -23.224 -6.809 -7.846 426 1HG GLN 50 HG2 GLN 50 -22.960 -8.531 -9.474 427 2HG GLN 50 HG1 GLN 50 -21.792 -8.898 -8.202 428 1HE2 GLN 50 HE22 GLN 50 -23.152 -12.142 -8.063 429 2HE2 GLN 50 HE21 GLN 50 -21.773 -11.176 -8.286 430 H GLU 51 HN GLU 51 -25.275 -7.752 -4.864 431 HA GLU 51 HA GLU 51 -25.330 -4.949 -4.439 432 1HB GLU 51 HB2 GLU 51 -26.636 -7.229 -2.932 433 2HB GLU 51 HB1 GLU 51 -27.005 -5.531 -2.630 434 1HG GLU 51 HG2 GLU 51 -27.235 -6.839 -5.352 435 2HG GLU 51 HG1 GLU 51 -28.594 -6.629 -4.248 436 H VAL 52 HN VAL 52 -24.036 -7.556 -2.413 437 HA VAL 52 HA VAL 52 -23.475 -5.957 -0.122 438 HB VAL 52 HB VAL 52 -22.136 -8.429 -1.248 439 1HG1 VAL 52 HG13 VAL 52 -21.578 -6.856 1.273 440 2HG1 VAL 52 HG12 VAL 52 -21.225 -8.580 1.168 441 3HG1 VAL 52 HG11 VAL 52 -20.429 -7.451 0.072 442 1HG2 VAL 52 HG21 VAL 52 -24.526 -8.507 -0.395 443 2HG2 VAL 52 HG23 VAL 52 -23.409 -9.576 0.454 444 3HG2 VAL 52 HG22 VAL 52 -23.904 -8.050 1.188 445 H VAL 53 HN VAL 53 -21.570 -6.608 -3.049 446 HA VAL 53 HA VAL 53 -19.214 -5.202 -2.267 447 HB VAL 53 HB VAL 53 -20.457 -5.715 -4.989 448 1HG1 VAL 53 HG12 VAL 53 -17.850 -4.376 -4.238 449 2HG1 VAL 53 HG11 VAL 53 -18.074 -5.165 -5.798 450 3HG1 VAL 53 HG13 VAL 53 -19.094 -3.802 -5.343 451 1HG2 VAL 53 HG21 VAL 53 -18.236 -7.007 -3.375 452 2HG2 VAL 53 HG23 VAL 53 -19.715 -7.753 -3.983 453 3HG2 VAL 53 HG22 VAL 53 -18.437 -7.288 -5.104 454 H ASP 54 HN ASP 54 -22.193 -4.090 -3.869 455 HA ASP 54 HA ASP 54 -21.355 -1.429 -4.417 456 1HB ASP 54 HB2 ASP 54 -23.444 -2.461 -5.316 457 2HB ASP 54 HB1 ASP 54 -24.154 -2.357 -3.708 458 H LYS 55 HN LYS 55 -22.997 -2.770 -1.534 459 HA LYS 55 HA LYS 55 -23.248 -0.293 -0.157 460 1HB LYS 55 HB2 LYS 55 -24.361 -2.403 0.576 461 2HB LYS 55 HB1 LYS 55 -22.792 -3.056 1.031 462 1HG LYS 55 HG2 LYS 55 -23.826 -2.240 3.045 463 2HG LYS 55 HG1 LYS 55 -22.548 -1.098 2.636 464 1HD LYS 55 HD2 LYS 55 -24.124 0.490 1.764 465 2HD LYS 55 HD1 LYS 55 -25.426 -0.697 1.780 466 1HE LYS 55 HE2 LYS 55 -25.262 -0.775 4.273 467 2HE LYS 55 HE1 LYS 55 -24.047 0.500 4.199 468 1HZ LYS 55 HZ2 LYS 55 -25.682 1.888 3.024 469 2HZ LYS 55 HZ1 LYS 55 -26.850 0.677 3.245 470 3HZ LYS 55 HZ3 LYS 55 -26.190 1.470 4.591 471 H VAL 56 HN VAL 56 -20.652 -2.710 -0.134 472 HA VAL 56 HA VAL 56 -18.932 -1.360 1.698 473 HB VAL 56 HB VAL 56 -18.363 -3.308 -0.551 474 1HG1 VAL 56 HG11 VAL 56 -16.508 -2.070 1.497 475 2HG1 VAL 56 HG13 VAL 56 -16.150 -3.606 0.710 476 3HG1 VAL 56 HG12 VAL 56 -16.300 -2.135 -0.252 477 1HG2 VAL 56 HG21 VAL 56 -19.705 -4.061 1.436 478 2HG2 VAL 56 HG23 VAL 56 -18.171 -4.915 1.264 479 3HG2 VAL 56 HG22 VAL 56 -18.339 -3.634 2.464 480 H MET 57 HN MET 57 -19.275 -1.125 -1.819 481 HA MET 57 HA MET 57 -17.013 0.500 -2.328 482 1HB MET 57 HB2 MET 57 -19.022 -0.629 -3.825 483 2HB MET 57 HB1 MET 57 -19.469 1.068 -3.926 484 1HG MET 57 HG2 MET 57 -16.696 0.012 -4.572 485 2HG MET 57 HG1 MET 57 -17.957 0.276 -5.773 486 1HE MET 57 HE1 MET 57 -16.818 1.884 -7.226 487 2HE MET 57 HE3 MET 57 -15.819 3.239 -6.687 488 3HE MET 57 HE2 MET 57 -15.350 1.588 -6.298 489 H GLU 58 HN GLU 58 -20.310 1.404 -1.331 490 HA GLU 58 HA GLU 58 -19.950 4.223 -1.564 491 1HB GLU 58 HB2 GLU 58 -22.165 3.170 -1.246 492 2HB GLU 58 HB1 GLU 58 -21.696 2.671 0.380 493 1HG GLU 58 HG2 GLU 58 -23.024 4.688 0.564 494 2HG GLU 58 HG1 GLU 58 -21.360 5.113 0.945 495 H THR 59 HN THR 59 -19.385 2.023 1.192 496 HA THR 59 HA THR 59 -18.591 4.050 3.044 497 HB THR 59 HB THR 59 -17.698 1.154 2.928 498 HG1 THR 59 HG1 THR 59 -19.602 2.085 4.716 499 1HG2 THR 59 HG21 THR 59 -17.461 3.324 5.009 500 2HG2 THR 59 HG23 THR 59 -17.527 1.626 5.482 501 3HG2 THR 59 HG22 THR 59 -16.228 2.202 4.437 502 H LEU 60 HN LEU 60 -16.682 2.142 0.730 503 HA LEU 60 HA LEU 60 -14.130 3.106 1.641 504 1HB LEU 60 HB2 LEU 60 -15.162 1.620 -0.735 505 2HB LEU 60 HB1 LEU 60 -13.585 2.379 -0.911 506 HG LEU 60 HG LEU 60 -13.548 -0.025 -0.102 507 1HD1 LEU 60 HD13 LEU 60 -11.771 1.856 0.395 508 2HD1 LEU 60 HD12 LEU 60 -12.353 1.702 2.052 509 3HD1 LEU 60 HD11 LEU 60 -11.670 0.308 1.227 510 1HD2 LEU 60 HD23 LEU 60 -15.576 0.340 1.415 511 2HD2 LEU 60 HD22 LEU 60 -14.240 -0.580 2.103 512 3HD2 LEU 60 HD21 LEU 60 -14.469 1.102 2.552 513 H ASP 61 HN ASP 61 -16.331 4.278 -0.883 514 HA ASP 61 HA ASP 61 -14.468 6.359 -1.727 515 1HB ASP 61 HB2 ASP 61 -17.405 5.835 -2.248 516 2HB ASP 61 HB1 ASP 61 -16.556 7.221 -2.928 517 H GLU 62 HN GLU 62 -14.046 8.113 -0.467 518 HA GLU 62 HA GLU 62 -15.572 8.817 1.861 519 1HB GLU 62 HB2 GLU 62 -13.486 10.325 0.264 520 2HB GLU 62 HB1 GLU 62 -14.158 10.925 1.776 521 1HG GLU 62 HG2 GLU 62 -12.790 8.231 1.486 522 2HG GLU 62 HG1 GLU 62 -11.975 9.693 2.039 523 H ASP 63 HN ASP 63 -15.472 10.190 -1.430 524 HA ASP 63 HA ASP 63 -17.648 12.096 -0.691 525 1HB ASP 63 HB2 ASP 63 -17.156 13.073 -2.959 526 2HB ASP 63 HB1 ASP 63 -15.804 13.142 -1.830 527 H GLY 64 HN GLY 64 -17.452 9.004 -1.828 528 1HA GLY 64 HA2 GLY 64 -18.951 7.637 -3.008 529 2HA GLY 64 HA1 GLY 64 -20.170 8.850 -2.615 530 H ASP 65 HN ASP 65 -17.259 8.913 -4.705 531 HA ASP 65 HA ASP 65 -18.589 10.532 -6.705 532 1HB ASP 65 HB2 ASP 65 -15.996 8.971 -6.727 533 2HB ASP 65 HB1 ASP 65 -16.531 9.975 -8.074 534 H GLY 66 HN GLY 66 -18.394 7.125 -6.124 535 1HA GLY 66 HA2 GLY 66 -19.757 5.491 -7.214 536 2HA GLY 66 HA1 GLY 66 -20.069 6.641 -8.515 537 H GLU 67 HN GLU 67 -16.878 6.948 -8.158 538 HA GLU 67 HA GLU 67 -16.116 4.527 -9.738 539 1HB GLU 67 HB2 GLU 67 -16.555 6.434 -11.315 540 2HB GLU 67 HB1 GLU 67 -15.304 7.358 -10.476 541 1HG GLU 67 HG2 GLU 67 -13.609 5.734 -11.084 542 2HG GLU 67 HG1 GLU 67 -14.824 4.649 -11.761 543 H CYS 68 HN CYS 68 -14.035 3.834 -9.330 544 HA CYS 68 HA CYS 68 -12.702 5.110 -6.997 545 1HB CYS 68 HB2 CYS 68 -11.369 2.913 -7.065 546 2HB CYS 68 HB1 CYS 68 -13.075 2.807 -6.627 547 HG CYS 68 HG CYS 68 -13.276 1.231 -8.519 548 H ASP 69 HN ASP 69 -11.037 6.467 -7.418 549 HA ASP 69 HA ASP 69 -9.608 6.249 -10.016 550 1HB ASP 69 HB2 ASP 69 -8.727 8.436 -9.571 551 2HB ASP 69 HB1 ASP 69 -10.432 8.484 -9.134 552 H PHE 70 HN PHE 70 -7.114 6.832 -9.724 553 HA PHE 70 HA PHE 70 -5.875 4.591 -8.506 554 1HB PHE 70 HB2 PHE 70 -4.832 5.894 -10.320 555 2HB PHE 70 HB1 PHE 70 -4.665 7.279 -9.240 556 HD1 PHE 70 HD1 PHE 70 -3.459 3.904 -10.036 557 HD2 PHE 70 HD2 PHE 70 -3.039 7.275 -7.413 558 HE1 PHE 70 HE1 PHE 70 -1.332 2.969 -9.181 559 HE2 PHE 70 HE2 PHE 70 -0.906 6.341 -6.553 560 HZ PHE 70 HZ PHE 70 -0.054 4.181 -7.438 561 H GLN 71 HN GLN 71 -6.273 7.927 -7.301 562 HA GLN 71 HA GLN 71 -4.707 7.643 -4.941 563 1HB GLN 71 HB2 GLN 71 -5.507 9.811 -5.745 564 2HB GLN 71 HB1 GLN 71 -7.172 9.338 -5.415 565 1HG GLN 71 HG2 GLN 71 -6.714 9.183 -3.034 566 2HG GLN 71 HG1 GLN 71 -4.996 9.476 -3.312 567 1HE2 GLN 71 HE22 GLN 71 -6.463 12.857 -4.660 568 2HE2 GLN 71 HE21 GLN 71 -6.207 11.442 -5.560 569 H GLU 72 HN GLU 72 -8.178 7.012 -5.485 570 HA GLU 72 HA GLU 72 -8.667 6.201 -2.753 571 1HB GLU 72 HB2 GLU 72 -10.218 5.771 -5.320 572 2HB GLU 72 HB1 GLU 72 -10.793 5.227 -3.744 573 1HG GLU 72 HG2 GLU 72 -10.751 7.504 -2.886 574 2HG GLU 72 HG1 GLU 72 -10.029 8.092 -4.382 575 H PHE 73 HN PHE 73 -7.558 4.547 -5.645 576 HA PHE 73 HA PHE 73 -8.040 1.860 -4.834 577 1HB PHE 73 HB2 PHE 73 -7.280 2.467 -7.101 578 2HB PHE 73 HB1 PHE 73 -5.725 2.980 -6.448 579 HD1 PHE 73 HD2 PHE 73 -8.020 0.004 -6.440 580 HD2 PHE 73 HD1 PHE 73 -3.967 1.430 -6.386 581 HE1 PHE 73 HE2 PHE 73 -7.195 -2.332 -6.575 582 HE2 PHE 73 HE1 PHE 73 -3.145 -0.905 -6.526 583 HZ PHE 73 HZ PHE 73 -4.759 -2.784 -6.619 584 H MET 74 HN MET 74 -5.248 4.005 -4.228 585 HA MET 74 HA MET 74 -3.689 2.126 -2.740 586 1HB MET 74 HB2 MET 74 -3.830 5.142 -2.827 587 2HB MET 74 HB1 MET 74 -2.815 4.350 -1.624 588 1HG MET 74 HG2 MET 74 -2.647 3.734 -4.583 589 2HG MET 74 HG1 MET 74 -1.636 4.943 -3.789 590 1HE MET 74 HE2 MET 74 -0.031 3.048 -5.206 591 2HE MET 74 HE1 MET 74 0.313 1.450 -4.554 592 3HE MET 74 HE3 MET 74 -1.266 1.791 -5.277 593 H ALA 75 HN ALA 75 -6.249 4.389 -1.757 594 HA ALA 75 HA ALA 75 -6.023 3.955 1.045 595 1HB ALA 75 HB2 ALA 75 -8.436 4.638 -0.657 596 2HB ALA 75 HB1 ALA 75 -8.439 4.658 1.105 597 3HB ALA 75 HB3 ALA 75 -7.395 5.766 0.216 598 H PHE 76 HN PHE 76 -7.832 2.195 -1.454 599 HA PHE 76 HA PHE 76 -9.258 0.433 0.259 600 1HB PHE 76 HB2 PHE 76 -9.738 0.651 -2.144 601 2HB PHE 76 HB1 PHE 76 -8.182 -0.092 -2.523 602 HD1 PHE 76 HD1 PHE 76 -11.550 -0.686 -1.120 603 HD2 PHE 76 HD2 PHE 76 -7.793 -2.458 -2.203 604 HE1 PHE 76 HE1 PHE 76 -12.551 -2.945 -0.900 605 HE2 PHE 76 HE2 PHE 76 -8.794 -4.715 -1.979 606 HZ PHE 76 HZ PHE 76 -11.172 -4.960 -1.328 607 H VAL 77 HN VAL 77 -6.010 0.094 -1.176 608 HA VAL 77 HA VAL 77 -5.585 -2.566 -0.218 609 HB VAL 77 HB VAL 77 -3.637 -0.340 -0.893 610 1HG1 VAL 77 HG13 VAL 77 -3.145 -3.230 -0.129 611 2HG1 VAL 77 HG12 VAL 77 -1.967 -2.264 -1.016 612 3HG1 VAL 77 HG11 VAL 77 -2.448 -1.791 0.614 613 1HG2 VAL 77 HG23 VAL 77 -5.001 -1.247 -2.751 614 2HG2 VAL 77 HG22 VAL 77 -3.300 -1.679 -2.931 615 3HG2 VAL 77 HG21 VAL 77 -4.457 -2.875 -2.344 616 H SER 78 HN SER 78 -4.761 0.614 1.179 617 HA SER 78 HA SER 78 -3.510 -0.414 3.527 618 1HB SER 78 HB2 SER 78 -4.926 2.210 3.007 619 2HB SER 78 HB1 SER 78 -4.065 1.854 4.503 620 HG SER 78 HG SER 78 -2.698 1.307 2.162 621 H MET 79 HN MET 79 -6.903 0.436 2.871 622 HA MET 79 HA MET 79 -7.803 0.057 5.548 623 1HB MET 79 HB2 MET 79 -9.282 -0.244 2.917 624 2HB MET 79 HB1 MET 79 -10.060 -0.244 4.501 625 1HG MET 79 HG2 MET 79 -8.222 1.995 3.657 626 2HG MET 79 HG1 MET 79 -9.937 2.019 3.261 627 1HE MET 79 HE1 MET 79 -11.803 1.860 4.855 628 2HE MET 79 HE3 MET 79 -11.770 2.881 6.303 629 3HE MET 79 HE2 MET 79 -11.350 3.560 4.730 630 H VAL 80 HN VAL 80 -7.473 -2.255 2.857 631 HA VAL 80 HA VAL 80 -8.686 -4.453 4.268 632 HB VAL 80 HB VAL 80 -6.759 -4.337 1.936 633 1HG1 VAL 80 HG12 VAL 80 -7.997 -6.710 3.344 634 2HG1 VAL 80 HG11 VAL 80 -7.562 -6.785 1.635 635 3HG1 VAL 80 HG13 VAL 80 -6.322 -6.483 2.851 636 1HG2 VAL 80 HG21 VAL 80 -9.152 -3.514 1.722 637 2HG2 VAL 80 HG23 VAL 80 -8.719 -4.827 0.629 638 3HG2 VAL 80 HG22 VAL 80 -9.667 -5.164 2.073 639 H THR 81 HN THR 81 -5.270 -3.407 3.949 640 HA THR 81 HA THR 81 -4.205 -5.647 5.382 641 HB THR 81 HB THR 81 -2.253 -4.072 5.818 642 HG1 THR 81 HG1 THR 81 -3.979 -2.268 5.473 643 1HG2 THR 81 HG23 THR 81 -3.310 -4.385 2.997 644 2HG2 THR 81 HG22 THR 81 -1.646 -3.958 3.404 645 3HG2 THR 81 HG21 THR 81 -2.292 -5.534 3.869 646 H THR 82 HN THR 82 -5.322 -2.453 6.479 647 HA THR 82 HA THR 82 -4.560 -2.834 9.231 648 HB THR 82 HB THR 82 -6.101 -0.943 9.665 649 HG1 THR 82 HG1 THR 82 -7.239 -1.877 7.465 650 1HG2 THR 82 HG23 THR 82 -4.281 -0.747 7.262 651 2HG2 THR 82 HG22 THR 82 -5.045 0.664 7.993 652 3HG2 THR 82 HG21 THR 82 -3.916 -0.317 8.930 653 H ALA 83 HN ALA 83 -7.542 -3.446 7.425 654 HA ALA 83 HA ALA 83 -9.119 -4.193 9.711 655 1HB ALA 83 HB2 ALA 83 -10.096 -3.535 7.539 656 2HB ALA 83 HB1 ALA 83 -9.399 -4.973 6.793 657 3HB ALA 83 HB3 ALA 83 -10.655 -5.139 8.021 658 H CYS 84 HN CYS 84 -7.124 -6.020 7.411 659 HA CYS 84 HA CYS 84 -7.789 -8.606 8.550 660 1HB CYS 84 HB2 CYS 84 -6.998 -8.545 6.265 661 2HB CYS 84 HB1 CYS 84 -5.530 -7.697 6.744 662 HG CYS 84 HG CYS 84 -5.990 -10.705 6.964 663 H HIS 85 HN HIS 85 -6.628 -9.761 10.099 664 HA HIS 85 HA HIS 85 -5.036 -8.181 11.945 665 1HB HIS 85 HB2 HIS 85 -5.574 -11.162 11.880 666 2HB HIS 85 HB1 HIS 85 -4.887 -10.275 13.236 667 HD1 HIS 85 HD1 HIS 85 -7.525 -11.764 13.646 668 HD2 HIS 85 HD2 HIS 85 -7.337 -7.775 12.436 669 HE1 HIS 85 HE1 HIS 85 -9.740 -10.716 14.288 670 HE2 HIS 85 HE2 HIS 85 -9.638 -8.286 13.562 671 H GLU 86 HN GLU 86 -2.844 -8.257 12.279 672 HA GLU 86 HA GLU 86 -1.145 -9.119 10.105 673 1HB GLU 86 HB2 GLU 86 -0.575 -8.138 12.917 674 2HB GLU 86 HB1 GLU 86 0.689 -8.463 11.730 675 1HG GLU 86 HG2 GLU 86 -0.171 -6.784 10.233 676 2HG GLU 86 HG1 GLU 86 -1.622 -6.575 11.214 677 H PHE 87 HN PHE 87 1.038 -10.211 11.735 678 HA PHE 87 HA PHE 87 1.824 -12.321 12.358 679 1HB PHE 87 HB2 PHE 87 0.776 -11.961 14.453 680 2HB PHE 87 HB1 PHE 87 -0.838 -12.155 13.784 681 HD1 PHE 87 HD2 PHE 87 2.369 -14.044 14.296 682 HD2 PHE 87 HD1 PHE 87 -1.909 -14.239 13.923 683 HE1 PHE 87 HE2 PHE 87 2.430 -16.465 14.840 684 HE2 PHE 87 HE1 PHE 87 -1.848 -16.656 14.466 685 HZ PHE 87 HZ PHE 87 0.319 -17.770 14.926 686 H PHE 88 HN PHE 88 1.906 -13.224 10.282 687 HA PHE 88 HA PHE 88 0.007 -15.419 9.826 688 1HB PHE 88 HB2 PHE 88 -0.998 -13.438 8.647 689 2HB PHE 88 HB1 PHE 88 0.472 -13.317 7.685 690 HD1 PHE 88 HD1 PHE 88 -1.934 -16.015 8.759 691 HD2 PHE 88 HD2 PHE 88 0.371 -14.295 5.568 692 HE1 PHE 88 HE1 PHE 88 -2.809 -17.725 7.198 693 HE2 PHE 88 HE2 PHE 88 -0.500 -16.005 4.013 694 HZ PHE 88 HZ PHE 88 -2.093 -17.721 4.825 695 H GLU 89 HN GLU 89 0.919 -16.196 7.285 696 HA GLU 89 HA GLU 89 2.677 -17.485 6.423 697 1HB GLU 89 HB2 GLU 89 4.355 -15.105 7.263 698 2HB GLU 89 HB1 GLU 89 4.752 -16.300 6.036 699 1HG GLU 89 HG2 GLU 89 3.879 -14.756 4.584 700 2HG GLU 89 HG1 GLU 89 2.337 -15.443 5.083 701 H HIS 90 HN HIS 90 5.504 -16.951 7.569 702 HA HIS 90 HA HIS 90 5.450 -19.106 9.499 703 1HB HIS 90 HB2 HIS 90 7.672 -17.099 8.988 704 2HB HIS 90 HB1 HIS 90 7.836 -18.701 9.709 705 HD1 HIS 90 HD1 HIS 90 7.287 -16.971 6.423 706 HD2 HIS 90 HD2 HIS 90 7.714 -20.865 7.857 707 HE1 HIS 90 HE1 HIS 90 7.642 -18.448 4.395 708 HE2 HIS 90 HE2 HIS 90 7.888 -20.820 5.255 709 H GLU 91 HN GLU 91 5.873 -18.928 11.797 710 HA GLU 91 HA GLU 91 4.476 -16.880 13.151 711 1HB GLU 91 HB2 GLU 91 5.582 -17.701 15.200 712 2HB GLU 91 HB1 GLU 91 5.011 -19.038 14.204 713 1HG GLU 91 HG2 GLU 91 7.312 -19.247 13.244 714 2HG GLU 91 HG1 GLU 91 7.857 -17.992 14.359 715 1H MET 0 HT3 MET 0 0.464 -16.620 -10.965 716 2H MET 0 HT2 MET 0 1.858 -17.317 -11.642 717 3H MET 0 HT1 MET 0 0.774 -18.275 -10.747 718 HA MET 0 HA MET 0 1.941 -17.894 -8.934 719 1HB MET 0 HB2 MET 0 3.948 -16.415 -9.043 720 2HB MET 0 HB1 MET 0 3.888 -17.586 -10.359 721 1HG MET 0 HG2 MET 0 2.806 -15.766 -11.776 722 2HG MET 0 HG1 MET 0 3.211 -14.639 -10.476 723 1HE MET 0 HE2 MET 0 4.040 -14.846 -13.602 724 2HE MET 0 HE1 MET 0 4.505 -13.423 -12.669 725 3HE MET 0 HE3 MET 0 5.716 -14.304 -13.613 726 H SER 1 HN SER 1 0.139 -15.440 -10.397 727 HA SER 1 HA SER 1 -0.857 -13.483 -9.570 728 1HB SER 1 HB2 SER 1 -1.931 -15.033 -8.042 729 2HB SER 1 HB1 SER 1 -0.504 -15.066 -7.008 730 HG SER 1 HG SER 1 -0.858 -12.720 -6.821 731 H GLU 2 HN GLU 2 1.020 -12.180 -10.132 732 HA GLU 2 HA GLU 2 3.244 -11.745 -8.393 733 1HB GLU 2 HB2 GLU 2 1.980 -9.977 -10.509 734 2HB GLU 2 HB1 GLU 2 3.479 -9.574 -9.673 735 1HG GLU 2 HG2 GLU 2 4.543 -11.602 -10.479 736 2HG GLU 2 HG1 GLU 2 3.034 -12.149 -11.205 737 H LEU 3 HN LEU 3 0.047 -10.271 -8.586 738 HA LEU 3 HA LEU 3 0.438 -8.113 -6.775 739 1HB LEU 3 HB2 LEU 3 -1.644 -8.863 -8.255 740 2HB LEU 3 HB1 LEU 3 -2.127 -9.702 -6.787 741 HG LEU 3 HG LEU 3 -3.163 -7.516 -6.770 742 1HD1 LEU 3 HD11 LEU 3 -2.076 -8.471 -4.655 743 2HD1 LEU 3 HD13 LEU 3 -0.796 -7.284 -4.915 744 3HD1 LEU 3 HD12 LEU 3 -2.450 -6.746 -4.643 745 1HD2 LEU 3 HD21 LEU 3 -1.104 -6.609 -8.284 746 2HD2 LEU 3 HD23 LEU 3 -2.142 -5.533 -7.350 747 3HD2 LEU 3 HD22 LEU 3 -0.570 -6.011 -6.710 748 H GLU 4 HN GLU 4 -0.561 -11.505 -6.172 749 HA GLU 4 HA GLU 4 -0.788 -11.273 -3.340 750 1HB GLU 4 HB2 GLU 4 -1.600 -13.247 -4.570 751 2HB GLU 4 HB1 GLU 4 0.059 -13.681 -4.988 752 1HG GLU 4 HG2 GLU 4 0.617 -13.974 -2.621 753 2HG GLU 4 HG1 GLU 4 -0.989 -13.423 -2.148 754 H LYS 5 HN LYS 5 2.008 -11.990 -5.410 755 HA LYS 5 HA LYS 5 3.858 -12.592 -3.341 756 1HB LYS 5 HB2 LYS 5 4.224 -11.389 -6.093 757 2HB LYS 5 HB1 LYS 5 5.588 -11.749 -5.040 758 1HG LYS 5 HG2 LYS 5 3.546 -13.897 -5.597 759 2HG LYS 5 HG1 LYS 5 4.781 -13.546 -6.800 760 1HD LYS 5 HD2 LYS 5 6.548 -13.932 -5.128 761 2HD LYS 5 HD1 LYS 5 5.329 -14.270 -3.903 762 1HE LYS 5 HE2 LYS 5 4.531 -16.198 -5.181 763 2HE LYS 5 HE1 LYS 5 5.679 -15.842 -6.471 764 1HZ LYS 5 HZ3 LYS 5 7.448 -16.037 -4.700 765 2HZ LYS 5 HZ2 LYS 5 6.254 -16.718 -3.700 766 3HZ LYS 5 HZ1 LYS 5 6.687 -17.484 -5.154 767 H ALA 6 HN ALA 6 2.860 -9.491 -4.735 768 HA ALA 6 HA ALA 6 4.803 -7.850 -3.472 769 1HB ALA 6 HB1 ALA 6 3.158 -7.135 -5.251 770 2HB ALA 6 HB3 ALA 6 1.911 -7.112 -4.005 771 3HB ALA 6 HB2 ALA 6 3.280 -6.012 -3.897 772 H MET 7 HN MET 7 1.521 -8.742 -2.327 773 HA MET 7 HA MET 7 1.761 -7.325 0.155 774 1HB MET 7 HB2 MET 7 0.044 -9.674 -0.675 775 2HB MET 7 HB1 MET 7 -0.087 -8.895 0.900 776 1HG MET 7 HG2 MET 7 -0.552 -6.737 -0.203 777 2HG MET 7 HG1 MET 7 -0.410 -7.509 -1.778 778 1HE MET 7 HE2 MET 7 -2.451 -6.746 1.286 779 2HE MET 7 HE1 MET 7 -3.793 -7.885 1.299 780 3HE MET 7 HE3 MET 7 -2.165 -8.431 1.710 781 H VAL 8 HN VAL 8 2.519 -10.674 -0.744 782 HA VAL 8 HA VAL 8 3.187 -11.519 1.928 783 HB VAL 8 HB VAL 8 4.001 -12.549 -0.798 784 1HG1 VAL 8 HG11 VAL 8 4.612 -13.566 1.977 785 2HG1 VAL 8 HG13 VAL 8 4.527 -14.669 0.602 786 3HG1 VAL 8 HG12 VAL 8 5.704 -13.354 0.610 787 1HG2 VAL 8 HG21 VAL 8 1.561 -12.618 -0.061 788 2HG2 VAL 8 HG23 VAL 8 2.271 -14.174 -0.488 789 3HG2 VAL 8 HG22 VAL 8 2.064 -13.736 1.208 790 H ALA 9 HN ALA 9 5.193 -10.414 -0.817 791 HA ALA 9 HA ALA 9 7.692 -10.631 0.555 792 1HB ALA 9 HB1 ALA 9 7.484 -10.410 -1.911 793 2HB ALA 9 HB3 ALA 9 6.957 -8.740 -1.698 794 3HB ALA 9 HB2 ALA 9 8.587 -9.214 -1.227 795 H LEU 10 HN LEU 10 5.393 -7.934 0.258 796 HA LEU 10 HA LEU 10 7.052 -5.973 1.484 797 1HB LEU 10 HB2 LEU 10 4.978 -5.408 0.291 798 2HB LEU 10 HB1 LEU 10 4.022 -6.208 1.535 799 HG LEU 10 HG LEU 10 5.930 -4.120 2.520 800 1HD1 LEU 10 HD12 LEU 10 3.530 -3.462 0.801 801 2HD1 LEU 10 HD11 LEU 10 4.213 -2.321 1.957 802 3HD1 LEU 10 HD13 LEU 10 5.192 -2.900 0.609 803 1HD2 LEU 10 HD22 LEU 10 4.127 -5.447 3.861 804 2HD2 LEU 10 HD21 LEU 10 4.249 -3.713 4.135 805 3HD2 LEU 10 HD23 LEU 10 2.971 -4.355 3.106 806 H ILE 11 HN ILE 11 4.805 -8.336 2.887 807 HA ILE 11 HA ILE 11 5.064 -7.391 5.585 808 HB ILE 11 HB ILE 11 4.292 -10.091 4.450 809 1HG1 ILE 11 HG12 ILE 11 2.602 -7.914 5.713 810 2HG1 ILE 11 HG11 ILE 11 2.865 -8.039 3.973 811 1HG2 ILE 11 HG22 ILE 11 4.276 -9.022 7.283 812 2HG2 ILE 11 HG21 ILE 11 3.269 -10.381 6.774 813 3HG2 ILE 11 HG23 ILE 11 5.027 -10.506 6.693 814 1HD1 ILE 11 HD11 ILE 11 1.819 -10.365 5.596 815 2HD1 ILE 11 HD13 ILE 11 0.740 -9.147 4.913 816 3HD1 ILE 11 HD12 ILE 11 1.748 -10.131 3.849 817 H ASP 12 HN ASP 12 6.837 -9.875 3.732 818 HA ASP 12 HA ASP 12 8.388 -10.820 5.946 819 1HB ASP 12 HB2 ASP 12 8.937 -10.833 2.967 820 2HB ASP 12 HB1 ASP 12 9.990 -11.614 4.146 821 H VAL 13 HN VAL 13 8.949 -8.199 3.605 822 HA VAL 13 HA VAL 13 11.606 -7.585 4.540 823 HB VAL 13 HB VAL 13 9.556 -5.933 3.035 824 1HG1 VAL 13 HG12 VAL 13 12.410 -5.316 3.826 825 2HG1 VAL 13 HG11 VAL 13 11.602 -4.499 2.490 826 3HG1 VAL 13 HG13 VAL 13 10.976 -4.339 4.132 827 1HG2 VAL 13 HG22 VAL 13 12.108 -7.349 2.195 828 2HG2 VAL 13 HG21 VAL 13 10.469 -7.888 1.837 829 3HG2 VAL 13 HG23 VAL 13 11.078 -6.392 1.131 830 H PHE 14 HN PHE 14 8.390 -6.260 5.381 831 HA PHE 14 HA PHE 14 9.320 -4.212 7.132 832 1HB PHE 14 HB2 PHE 14 7.002 -4.339 6.339 833 2HB PHE 14 HB1 PHE 14 6.753 -5.820 7.264 834 HD1 PHE 14 HD1 PHE 14 7.277 -2.175 7.461 835 HD2 PHE 14 HD2 PHE 14 6.520 -5.768 9.691 836 HE1 PHE 14 HE1 PHE 14 6.693 -0.816 9.454 837 HE2 PHE 14 HE2 PHE 14 5.938 -4.407 11.684 838 HZ PHE 14 HZ PHE 14 6.028 -1.933 11.566 839 H HIS 15 HN HIS 15 8.542 -7.617 7.765 840 HA HIS 15 HA HIS 15 8.985 -7.485 10.595 841 1HB HIS 15 HB2 HIS 15 9.082 -9.759 8.607 842 2HB HIS 15 HB1 HIS 15 9.335 -10.003 10.336 843 HD1 HIS 15 HD1 HIS 15 6.808 -10.967 8.509 844 HD2 HIS 15 HD2 HIS 15 6.846 -7.841 11.278 845 HE1 HIS 15 HE1 HIS 15 4.397 -10.560 9.177 846 HE2 HIS 15 HE2 HIS 15 4.414 -8.663 10.858 847 H GLN 16 HN GLN 16 11.171 -8.149 7.876 848 HA GLN 16 HA GLN 16 13.412 -9.017 9.379 849 1HB GLN 16 HB2 GLN 16 13.250 -9.180 6.926 850 2HB GLN 16 HB1 GLN 16 13.342 -7.426 6.799 851 1HG GLN 16 HG2 GLN 16 15.591 -7.445 7.777 852 2HG GLN 16 HG1 GLN 16 15.501 -9.198 7.986 853 1HE2 GLN 16 HE22 GLN 16 17.268 -8.619 4.756 854 2HE2 GLN 16 HE21 GLN 16 17.593 -8.312 6.395 855 H TYR 17 HN TYR 17 12.807 -5.711 8.135 856 HA TYR 17 HA TYR 17 14.989 -4.599 9.659 857 1HB TYR 17 HB2 TYR 17 12.639 -3.353 8.225 858 2HB TYR 17 HB1 TYR 17 13.872 -2.393 9.054 859 HD1 TYR 17 HD2 TYR 17 16.319 -2.741 8.412 860 HD2 TYR 17 HD1 TYR 17 13.047 -4.234 6.063 861 HE1 TYR 17 HE2 TYR 17 17.835 -2.999 6.470 862 HE2 TYR 17 HE1 TYR 17 14.568 -4.494 4.121 863 HH TYR 17 HH TYR 17 16.798 -4.636 3.555 864 H SER 18 HN SER 18 11.475 -4.797 10.269 865 HA SER 18 HA SER 18 11.633 -3.140 12.634 866 1HB SER 18 HB2 SER 18 9.353 -3.754 13.017 867 2HB SER 18 HB1 SER 18 9.544 -3.630 11.269 868 HG SER 18 HG SER 18 8.479 -5.587 12.220 869 H GLY 19 HN GLY 19 11.677 -6.671 12.118 870 1HA GLY 19 HA2 GLY 19 11.685 -7.348 14.919 871 2HA GLY 19 HA1 GLY 19 12.195 -8.415 13.611 872 H ARG 20 HN ARG 20 13.922 -5.673 13.195 873 HA ARG 20 HA ARG 20 16.394 -6.845 13.951 874 1HB ARG 20 HB2 ARG 20 16.056 -4.925 12.320 875 2HB ARG 20 HB1 ARG 20 15.876 -3.872 13.725 876 1HG ARG 20 HG2 ARG 20 18.114 -4.790 14.533 877 2HG ARG 20 HG1 ARG 20 18.303 -5.498 12.931 878 1HD ARG 20 HD2 ARG 20 17.723 -3.028 12.130 879 2HD ARG 20 HD1 ARG 20 18.309 -2.602 13.737 880 HE ARG 20 HE ARG 20 19.934 -3.248 11.499 881 1HH1 ARG 20 HH21 ARG 20 19.629 -4.091 14.845 882 2HH1 ARG 20 HH22 ARG 20 21.218 -4.769 14.940 883 1HH2 ARG 20 HH11 ARG 20 21.975 -4.143 11.613 884 2HH2 ARG 20 HH12 ARG 20 22.549 -4.787 13.117 885 H GLU 21 HN GLU 21 14.256 -4.580 15.689 886 HA GLU 21 HA GLU 21 15.985 -4.919 18.123 887 1HB GLU 21 HB2 GLU 21 14.312 -2.598 17.159 888 2HB GLU 21 HB1 GLU 21 14.881 -2.722 18.827 889 1HG GLU 21 HG2 GLU 21 17.196 -2.817 18.078 890 2HG GLU 21 HG1 GLU 21 16.681 -2.838 16.392 891 H GLY 22 HN GLY 22 14.155 -6.917 17.701 892 1HA GLY 22 HA2 GLY 22 12.384 -8.021 18.758 893 2HA GLY 22 HA1 GLY 22 12.654 -6.908 20.098 894 H ASP 23 HN ASP 23 12.072 -4.959 17.492 895 HA ASP 23 HA ASP 23 9.242 -4.576 18.315 896 1HB ASP 23 HB2 ASP 23 11.069 -2.968 16.495 897 2HB ASP 23 HB1 ASP 23 9.418 -2.512 16.914 898 H LYS 24 HN LYS 24 8.134 -6.290 17.238 899 HA LYS 24 HA LYS 24 8.571 -6.594 14.303 900 1HB LYS 24 HB2 LYS 24 6.905 -8.205 16.259 901 2HB LYS 24 HB1 LYS 24 7.125 -8.589 14.551 902 1HG LYS 24 HG2 LYS 24 9.560 -8.781 14.905 903 2HG LYS 24 HG1 LYS 24 9.335 -8.407 16.618 904 1HD LYS 24 HD2 LYS 24 7.894 -10.395 16.864 905 2HD LYS 24 HD1 LYS 24 8.131 -10.772 15.156 906 1HE LYS 24 HE2 LYS 24 10.575 -10.944 15.553 907 2HE LYS 24 HE1 LYS 24 10.301 -10.647 17.272 908 1HZ LYS 24 HZ2 LYS 24 8.553 -12.640 16.665 909 2HZ LYS 24 HZ1 LYS 24 9.931 -13.047 15.756 910 3HZ LYS 24 HZ3 LYS 24 10.055 -12.839 17.436 911 H HIS 25 HN HIS 25 6.059 -5.662 16.636 912 HA HIS 25 HA HIS 25 4.177 -5.120 14.386 913 1HB HIS 25 HB2 HIS 25 3.799 -5.222 17.387 914 2HB HIS 25 HB1 HIS 25 2.539 -4.709 16.267 915 HD1 HIS 25 HD1 HIS 25 4.555 -7.706 17.297 916 HD2 HIS 25 HD2 HIS 25 1.374 -6.819 14.748 917 HE1 HIS 25 HE1 HIS 25 3.604 -9.927 16.538 918 HE2 HIS 25 HE2 HIS 25 1.665 -9.400 14.989 919 H LYS 26 HN LYS 26 6.575 -3.485 15.949 920 HA LYS 26 HA LYS 26 5.182 -0.847 15.557 921 1HB LYS 26 HB2 LYS 26 7.114 -1.684 17.743 922 2HB LYS 26 HB1 LYS 26 6.733 -0.003 17.390 923 1HG LYS 26 HG2 LYS 26 5.128 -0.384 19.018 924 2HG LYS 26 HG1 LYS 26 4.205 -0.918 17.620 925 1HD LYS 26 HD2 LYS 26 4.842 -3.245 18.053 926 2HD LYS 26 HD1 LYS 26 5.844 -2.739 19.407 927 1HE LYS 26 HE2 LYS 26 3.475 -3.598 19.957 928 2HE LYS 26 HE1 LYS 26 3.974 -2.076 20.698 929 1HZ LYS 26 HZ3 LYS 26 2.524 -2.165 18.120 930 2HZ LYS 26 HZ2 LYS 26 1.706 -2.137 19.609 931 3HZ LYS 26 HZ1 LYS 26 2.723 -0.851 19.170 932 H LEU 27 HN LEU 27 6.416 0.756 14.581 933 HA LEU 27 HA LEU 27 9.061 -0.125 13.459 934 1HB LEU 27 HB2 LEU 27 7.274 0.165 11.760 935 2HB LEU 27 HB1 LEU 27 7.038 1.817 12.306 936 HG LEU 27 HG LEU 27 9.469 2.264 11.740 937 1HD1 LEU 27 HD11 LEU 27 9.204 -0.560 10.706 938 2HD1 LEU 27 HD13 LEU 27 10.335 0.568 9.960 939 3HD1 LEU 27 HD12 LEU 27 10.504 0.144 11.661 940 1HD2 LEU 27 HD22 LEU 27 7.524 1.386 9.592 941 2HD2 LEU 27 HD21 LEU 27 7.752 3.014 10.225 942 3HD2 LEU 27 HD23 LEU 27 9.011 2.264 9.246 943 H LYS 28 HN LYS 28 10.784 1.172 13.905 944 HA LYS 28 HA LYS 28 10.302 3.538 15.639 945 1HB LYS 28 HB2 LYS 28 11.866 1.684 16.314 946 2HB LYS 28 HB1 LYS 28 12.916 2.163 14.985 947 1HG LYS 28 HG2 LYS 28 13.153 4.403 15.941 948 2HG LYS 28 HG1 LYS 28 12.035 3.990 17.242 949 1HD LYS 28 HD2 LYS 28 13.608 2.150 17.923 950 2HD LYS 28 HD1 LYS 28 14.752 2.743 16.720 951 1HE LYS 28 HE2 LYS 28 13.802 4.093 19.238 952 2HE LYS 28 HE1 LYS 28 15.455 3.822 18.685 953 1HZ LYS 28 HZ2 LYS 28 14.580 5.279 16.688 954 2HZ LYS 28 HZ1 LYS 28 13.542 5.876 17.895 955 3HZ LYS 28 HZ3 LYS 28 15.223 5.981 18.095 956 H LYS 29 HN LYS 29 11.272 5.535 15.220 957 HA LYS 29 HA LYS 29 11.217 6.507 12.552 958 1HB LYS 29 HB2 LYS 29 10.919 7.897 14.575 959 2HB LYS 29 HB1 LYS 29 12.607 7.643 14.995 960 1HG LYS 29 HG2 LYS 29 12.144 8.717 12.247 961 2HG LYS 29 HG1 LYS 29 11.694 9.806 13.554 962 1HD LYS 29 HD2 LYS 29 14.389 8.428 13.479 963 2HD LYS 29 HD1 LYS 29 14.107 9.980 12.698 964 1HE LYS 29 HE2 LYS 29 13.195 9.788 15.535 965 2HE LYS 29 HE1 LYS 29 14.936 9.752 15.280 966 1HZ LYS 29 HZ3 LYS 29 14.111 11.737 13.632 967 2HZ LYS 29 HZ2 LYS 29 13.085 11.920 14.976 968 3HZ LYS 29 HZ1 LYS 29 14.771 11.952 15.180 969 H SER 30 HN SER 30 13.965 5.465 14.575 970 HA SER 30 HA SER 30 16.065 6.296 12.840 971 1HB SER 30 HB2 SER 30 17.442 4.676 14.024 972 2HB SER 30 HB1 SER 30 16.339 5.412 15.185 973 HG SER 30 HG SER 30 15.186 3.288 14.000 974 H GLU 31 HN GLU 31 14.134 3.315 12.892 975 HA GLU 31 HA GLU 31 15.590 2.002 10.788 976 1HB GLU 31 HB2 GLU 31 12.782 1.641 11.862 977 2HB GLU 31 HB1 GLU 31 13.485 0.597 10.623 978 1HG GLU 31 HG2 GLU 31 15.347 0.035 12.150 979 2HG GLU 31 HG1 GLU 31 14.646 1.075 13.390 980 H LEU 32 HN LEU 32 12.942 4.332 10.807 981 HA LEU 32 HA LEU 32 12.049 3.956 8.135 982 1HB LEU 32 HB2 LEU 32 11.134 5.490 10.063 983 2HB LEU 32 HB1 LEU 32 12.216 6.702 9.381 984 HG LEU 32 HG LEU 32 10.091 5.200 7.812 985 1HD1 LEU 32 HD11 LEU 32 9.306 6.878 9.589 986 2HD1 LEU 32 HD13 LEU 32 10.054 8.119 8.583 987 3HD1 LEU 32 HD12 LEU 32 8.737 7.140 7.939 988 1HD2 LEU 32 HD22 LEU 32 12.156 7.279 7.107 989 2HD2 LEU 32 HD21 LEU 32 11.666 5.844 6.210 990 3HD2 LEU 32 HD23 LEU 32 10.621 7.261 6.238 991 H LYS 33 HN LYS 33 14.578 6.239 9.353 992 HA LYS 33 HA LYS 33 15.273 7.242 6.778 993 1HB LYS 33 HB2 LYS 33 16.074 8.282 8.862 994 2HB LYS 33 HB1 LYS 33 17.066 6.859 9.193 995 1HG LYS 33 HG2 LYS 33 18.429 7.254 7.248 996 2HG LYS 33 HG1 LYS 33 17.337 8.510 6.666 997 1HD LYS 33 HD2 LYS 33 19.298 9.555 7.686 998 2HD LYS 33 HD1 LYS 33 17.884 9.872 8.690 999 1HE LYS 33 HE2 LYS 33 19.637 7.481 9.242 1000 2HE LYS 33 HE1 LYS 33 20.085 9.078 9.844 1001 1HZ LYS 33 HZ1 LYS 33 17.408 8.798 10.405 1002 2HZ LYS 33 HZ3 LYS 33 18.092 7.299 10.802 1003 3HZ LYS 33 HZ2 LYS 33 18.697 8.720 11.510 1004 H GLU 34 HN GLU 34 16.508 4.407 8.548 1005 HA GLU 34 HA GLU 34 18.529 3.727 6.645 1006 1HB GLU 34 HB2 GLU 34 16.915 1.940 8.484 1007 2HB GLU 34 HB1 GLU 34 18.396 1.464 7.647 1008 1HG GLU 34 HG2 GLU 34 18.190 3.784 9.588 1009 2HG GLU 34 HG1 GLU 34 18.813 2.192 10.004 1010 H LEU 35 HN LEU 35 15.102 2.864 6.856 1011 HA LEU 35 HA LEU 35 15.092 0.956 4.752 1012 1HB LEU 35 HB2 LEU 35 13.188 1.299 6.293 1013 2HB LEU 35 HB1 LEU 35 12.893 2.882 5.578 1014 HG LEU 35 HG LEU 35 13.030 0.673 3.585 1015 1HD1 LEU 35 HD11 LEU 35 11.892 -0.483 5.486 1016 2HD1 LEU 35 HD13 LEU 35 10.664 0.785 5.476 1017 3HD1 LEU 35 HD12 LEU 35 10.856 -0.274 4.076 1018 1HD2 LEU 35 HD23 LEU 35 12.242 3.167 3.346 1019 2HD2 LEU 35 HD22 LEU 35 11.361 1.897 2.501 1020 3HD2 LEU 35 HD21 LEU 35 10.718 2.563 4.000 1021 H ILE 36 HN ILE 36 14.560 4.489 4.666 1022 HA ILE 36 HA ILE 36 14.077 4.675 1.875 1023 HB ILE 36 HB ILE 36 15.351 6.681 3.759 1024 1HG1 ILE 36 HG12 ILE 36 12.510 6.492 2.712 1025 2HG1 ILE 36 HG11 ILE 36 13.014 5.841 4.271 1026 1HG2 ILE 36 HG23 ILE 36 14.221 6.950 0.961 1027 2HG2 ILE 36 HG22 ILE 36 14.548 8.323 2.018 1028 3HG2 ILE 36 HG21 ILE 36 15.875 7.295 1.471 1029 1HD1 ILE 36 HD13 ILE 36 13.788 8.085 4.954 1030 2HD1 ILE 36 HD12 ILE 36 13.249 8.731 3.405 1031 3HD1 ILE 36 HD11 ILE 36 12.072 8.092 4.549 1032 H ASN 37 HN ASN 37 17.106 4.807 3.715 1033 HA ASN 37 HA ASN 37 18.860 5.393 1.562 1034 1HB ASN 37 HB2 ASN 37 19.530 5.475 3.934 1035 2HB ASN 37 HB1 ASN 37 19.368 3.721 4.044 1036 1HD2 ASN 37 HD22 ASN 37 22.875 3.816 3.314 1037 2HD2 ASN 37 HD21 ASN 37 21.747 3.675 4.571 1038 H ASN 38 HN ASN 38 17.608 2.300 2.769 1039 HA ASN 38 HA ASN 38 19.141 0.432 1.457 1040 1HB ASN 38 HB2 ASN 38 17.142 -0.063 2.890 1041 2HB ASN 38 HB1 ASN 38 16.105 0.339 1.520 1042 1HD2 ASN 38 HD22 ASN 38 16.378 -2.928 0.260 1043 2HD2 ASN 38 HD21 ASN 38 15.424 -1.547 0.500 1044 H GLU 39 HN GLU 39 16.048 0.791 -0.204 1045 HA GLU 39 HA GLU 39 17.441 1.656 -2.690 1046 1HB GLU 39 HB2 GLU 39 16.022 -0.975 -2.257 1047 2HB GLU 39 HB1 GLU 39 16.083 -0.261 -3.861 1048 1HG GLU 39 HG2 GLU 39 17.962 -1.659 -3.860 1049 2HG GLU 39 HG1 GLU 39 18.673 -0.105 -3.435 1050 H LEU 40 HN LEU 40 15.652 3.211 -1.157 1051 HA LEU 40 HA LEU 40 13.280 3.345 -2.993 1052 1HB LEU 40 HB2 LEU 40 13.019 2.492 -0.444 1053 2HB LEU 40 HB1 LEU 40 13.000 4.220 -0.134 1054 HG LEU 40 HG LEU 40 11.191 4.307 -2.028 1055 1HD1 LEU 40 HD13 LEU 40 11.516 1.949 -2.778 1056 2HD1 LEU 40 HD12 LEU 40 11.018 1.392 -1.182 1057 3HD1 LEU 40 HD11 LEU 40 9.868 2.233 -2.220 1058 1HD2 LEU 40 HD23 LEU 40 10.800 4.670 0.436 1059 2HD2 LEU 40 HD22 LEU 40 9.430 3.922 -0.383 1060 3HD2 LEU 40 HD21 LEU 40 10.514 2.937 0.596 1061 H SER 41 HN SER 41 16.037 4.830 -2.335 1062 HA SER 41 HA SER 41 15.204 7.522 -1.702 1063 1HB SER 41 HB2 SER 41 17.737 6.537 -3.048 1064 2HB SER 41 HB1 SER 41 17.487 8.161 -2.415 1065 HG SER 41 HG SER 41 17.837 7.425 -0.480 1066 H HIS 42 HN HIS 42 15.358 5.660 -4.643 1067 HA HIS 42 HA HIS 42 15.442 7.808 -6.519 1068 1HB HIS 42 HB2 HIS 42 14.117 5.085 -6.718 1069 2HB HIS 42 HB1 HIS 42 14.357 6.175 -8.080 1070 HD1 HIS 42 HD1 HIS 42 16.132 3.788 -5.855 1071 HD2 HIS 42 HD2 HIS 42 17.142 6.534 -8.828 1072 HE1 HIS 42 HE1 HIS 42 18.538 3.308 -6.486 1073 HE2 HIS 42 HE2 HIS 42 19.164 4.977 -8.291 1074 H PHE 43 HN PHE 43 12.734 6.264 -4.810 1075 HA PHE 43 HA PHE 43 10.683 7.754 -6.181 1076 1HB PHE 43 HB2 PHE 43 10.714 6.251 -3.551 1077 2HB PHE 43 HB1 PHE 43 9.266 7.042 -4.182 1078 HD1 PHE 43 HD1 PHE 43 11.697 4.318 -4.712 1079 HD2 PHE 43 HD2 PHE 43 8.131 6.213 -6.175 1080 HE1 PHE 43 HE1 PHE 43 11.269 2.373 -6.189 1081 HE2 PHE 43 HE2 PHE 43 7.707 4.269 -7.656 1082 HZ PHE 43 HZ PHE 43 9.276 2.349 -7.663 1083 H LEU 44 HN LEU 44 12.529 8.373 -3.201 1084 HA LEU 44 HA LEU 44 11.075 10.979 -2.883 1085 1HB LEU 44 HB2 LEU 44 12.701 9.277 -0.974 1086 2HB LEU 44 HB1 LEU 44 12.326 10.960 -0.618 1087 HG LEU 44 HG LEU 44 9.837 10.220 -1.152 1088 1HD1 LEU 44 HD12 LEU 44 10.544 7.928 -1.917 1089 2HD1 LEU 44 HD11 LEU 44 11.049 7.588 -0.265 1090 3HD1 LEU 44 HD13 LEU 44 9.354 7.908 -0.620 1091 1HD2 LEU 44 HD23 LEU 44 11.380 9.562 1.369 1092 2HD2 LEU 44 HD22 LEU 44 10.431 11.009 1.028 1093 3HD2 LEU 44 HD21 LEU 44 9.622 9.462 1.270 1094 H GLU 45 HN GLU 45 12.151 12.889 -3.163 1095 HA GLU 45 HA GLU 45 15.132 12.871 -3.289 1096 1HB GLU 45 HB2 GLU 45 14.268 12.650 -5.629 1097 2HB GLU 45 HB1 GLU 45 13.365 14.147 -5.406 1098 1HG GLU 45 HG2 GLU 45 15.467 15.366 -4.976 1099 2HG GLU 45 HG1 GLU 45 16.378 13.867 -5.168 1100 H GLU 46 HN GLU 46 14.651 13.911 -1.131 1101 HA GLU 46 HA GLU 46 14.830 16.765 -1.333 1102 1HB GLU 46 HB2 GLU 46 12.150 15.670 -1.246 1103 2HB GLU 46 HB1 GLU 46 12.431 16.562 0.244 1104 1HG GLU 46 HG2 GLU 46 13.037 17.724 -2.494 1105 2HG GLU 46 HG1 GLU 46 11.480 17.925 -1.692 1106 H ILE 47 HN ILE 47 15.183 13.894 0.281 1107 HA ILE 47 HA ILE 47 15.322 15.074 3.007 1108 HB ILE 47 HB ILE 47 15.774 12.238 2.017 1109 1HG1 ILE 47 HG12 ILE 47 13.493 13.369 3.662 1110 2HG1 ILE 47 HG11 ILE 47 13.419 13.211 1.905 1111 1HG2 ILE 47 HG23 ILE 47 15.915 13.512 4.747 1112 2HG2 ILE 47 HG22 ILE 47 15.458 11.816 4.578 1113 3HG2 ILE 47 HG21 ILE 47 17.029 12.368 4.004 1114 1HD1 ILE 47 HD13 ILE 47 14.090 10.880 3.710 1115 2HD1 ILE 47 HD12 ILE 47 12.430 11.275 3.264 1116 3HD1 ILE 47 HD11 ILE 47 13.598 10.834 2.016 1117 H LYS 48 HN LYS 48 17.216 15.898 3.762 1118 HA LYS 48 HA LYS 48 19.812 14.874 2.640 1119 1HB LYS 48 HB2 LYS 48 18.931 17.718 3.176 1120 2HB LYS 48 HB1 LYS 48 20.629 17.275 3.009 1121 1HG LYS 48 HG2 LYS 48 20.260 16.483 0.748 1122 2HG LYS 48 HG1 LYS 48 18.515 16.713 0.907 1123 1HD LYS 48 HD2 LYS 48 18.764 19.097 1.079 1124 2HD LYS 48 HD1 LYS 48 20.520 18.963 1.214 1125 1HE LYS 48 HE2 LYS 48 19.039 17.937 -1.212 1126 2HE LYS 48 HE1 LYS 48 19.572 19.614 -1.093 1127 1HZ LYS 48 HZ3 LYS 48 21.755 18.205 -0.324 1128 2HZ LYS 48 HZ2 LYS 48 21.107 17.237 -1.562 1129 3HZ LYS 48 HZ1 LYS 48 21.501 18.863 -1.870 1130 H GLU 49 HN GLU 49 18.673 17.087 5.205 1131 HA GLU 49 HA GLU 49 20.671 15.933 7.073 1132 1HB GLU 49 HB2 GLU 49 20.410 18.430 6.757 1133 2HB GLU 49 HB1 GLU 49 18.813 18.297 7.491 1134 1HG GLU 49 HG2 GLU 49 20.408 18.932 9.210 1135 2HG GLU 49 HG1 GLU 49 19.895 17.275 9.510 1136 H GLN 50 HN GLN 50 20.012 15.153 9.200 1137 HA GLN 50 HA GLN 50 17.709 13.478 9.188 1138 1HB GLN 50 HB2 GLN 50 19.342 14.533 11.513 1139 2HB GLN 50 HB1 GLN 50 18.083 13.311 11.678 1140 1HG GLN 50 HG2 GLN 50 20.139 12.110 11.473 1141 2HG GLN 50 HG1 GLN 50 19.336 11.967 9.908 1142 1HE2 GLN 50 HE22 GLN 50 22.315 13.145 8.435 1143 2HE2 GLN 50 HE21 GLN 50 21.163 11.905 8.521 1144 H GLU 51 HN GLU 51 18.176 16.765 10.282 1145 HA GLU 51 HA GLU 51 15.828 17.068 11.835 1146 1HB GLU 51 HB2 GLU 51 17.359 19.048 10.121 1147 2HB GLU 51 HB1 GLU 51 16.039 19.515 11.192 1148 1HG GLU 51 HG2 GLU 51 18.499 18.007 12.118 1149 2HG GLU 51 HG1 GLU 51 18.312 19.757 12.242 1150 H VAL 52 HN VAL 52 16.350 17.348 8.347 1151 HA VAL 52 HA VAL 52 13.766 18.345 7.713 1152 HB VAL 52 HB VAL 52 15.663 16.566 6.153 1153 1HG1 VAL 52 HG11 VAL 52 13.054 17.875 5.356 1154 2HG1 VAL 52 HG13 VAL 52 14.265 17.377 4.174 1155 3HG1 VAL 52 HG12 VAL 52 13.498 16.174 5.209 1156 1HG2 VAL 52 HG22 VAL 52 15.038 19.536 6.135 1157 2HG2 VAL 52 HG21 VAL 52 16.564 18.771 6.584 1158 3HG2 VAL 52 HG23 VAL 52 16.018 18.737 4.906 1159 H VAL 53 HN VAL 53 14.954 15.001 8.128 1160 HA VAL 53 HA VAL 53 12.542 13.672 7.394 1161 HB VAL 53 HB VAL 53 14.746 12.887 9.328 1162 1HG1 VAL 53 HG13 VAL 53 12.362 11.319 8.316 1163 2HG1 VAL 53 HG12 VAL 53 13.795 10.554 8.995 1164 3HG1 VAL 53 HG11 VAL 53 12.808 11.621 9.994 1165 1HG2 VAL 53 HG22 VAL 53 14.075 12.092 6.479 1166 2HG2 VAL 53 HG21 VAL 53 15.444 13.076 6.992 1167 3HG2 VAL 53 HG23 VAL 53 15.368 11.371 7.442 1168 H ASP 54 HN ASP 54 13.641 14.959 10.521 1169 HA ASP 54 HA ASP 54 11.490 13.995 12.110 1170 1HB ASP 54 HB2 ASP 54 13.570 15.033 13.011 1171 2HB ASP 54 HB1 ASP 54 12.996 16.604 12.450 1172 H LYS 55 HN LYS 55 11.776 17.083 10.288 1173 HA LYS 55 HA LYS 55 9.270 18.137 11.143 1174 1HB LYS 55 HB2 LYS 55 10.977 19.484 9.924 1175 2HB LYS 55 HB1 LYS 55 10.661 18.549 8.467 1176 1HG LYS 55 HG2 LYS 55 9.407 20.589 8.262 1177 2HG LYS 55 HG1 LYS 55 8.237 19.326 8.624 1178 1HD LYS 55 HD2 LYS 55 8.024 20.024 10.892 1179 2HD LYS 55 HD1 LYS 55 9.472 21.018 10.801 1180 1HE LYS 55 HE2 LYS 55 8.323 22.487 9.157 1181 2HE LYS 55 HE1 LYS 55 6.860 21.514 9.353 1182 1HZ LYS 55 HZ3 LYS 55 7.712 22.142 11.901 1183 2HZ LYS 55 HZ2 LYS 55 7.863 23.581 11.011 1184 3HZ LYS 55 HZ1 LYS 55 6.367 22.779 11.090 1185 H VAL 56 HN VAL 56 10.116 16.135 8.330 1186 HA VAL 56 HA VAL 56 7.480 15.924 7.257 1187 HB VAL 56 HB VAL 56 9.876 14.074 7.092 1188 1HG1 VAL 56 HG12 VAL 56 7.208 13.946 5.648 1189 2HG1 VAL 56 HG11 VAL 56 8.643 13.066 5.131 1190 3HG1 VAL 56 HG13 VAL 56 7.902 12.700 6.687 1191 1HG2 VAL 56 HG23 VAL 56 8.627 16.133 5.252 1192 2HG2 VAL 56 HG22 VAL 56 10.219 16.207 6.008 1193 3HG2 VAL 56 HG21 VAL 56 9.895 15.019 4.746 1194 H MET 57 HN MET 57 9.182 13.993 9.693 1195 HA MET 57 HA MET 57 7.270 11.919 9.916 1196 1HB MET 57 HB2 MET 57 9.673 12.526 11.109 1197 2HB MET 57 HB1 MET 57 8.573 12.805 12.453 1198 1HG MET 57 HG2 MET 57 8.567 10.251 10.807 1199 2HG MET 57 HG1 MET 57 9.506 10.451 12.284 1200 1HE MET 57 HE2 MET 57 8.613 8.682 13.585 1201 2HE MET 57 HE1 MET 57 6.922 8.311 13.912 1202 3HE MET 57 HE3 MET 57 7.585 8.075 12.289 1203 H GLU 58 HN GLU 58 7.373 15.113 11.502 1204 HA GLU 58 HA GLU 58 5.143 14.671 13.227 1205 1HB GLU 58 HB2 GLU 58 6.670 16.602 13.458 1206 2HB GLU 58 HB1 GLU 58 6.077 17.258 11.937 1207 1HG GLU 58 HG2 GLU 58 4.935 18.401 13.739 1208 2HG GLU 58 HG1 GLU 58 3.764 17.333 12.972 1209 H THR 59 HN THR 59 5.297 15.965 9.894 1210 HA THR 59 HA THR 59 2.501 16.511 9.648 1211 HB THR 59 HB THR 59 4.481 15.763 7.475 1212 HG1 THR 59 HG1 THR 59 4.156 18.232 7.326 1213 1HG2 THR 59 HG23 THR 59 1.719 16.979 7.441 1214 2HG2 THR 59 HG22 THR 59 2.844 17.174 6.100 1215 3HG2 THR 59 HG21 THR 59 2.295 15.562 6.561 1216 H LEU 60 HN LEU 60 4.369 13.584 8.911 1217 HA LEU 60 HA LEU 60 2.181 12.158 7.725 1218 1HB LEU 60 HB2 LEU 60 4.913 11.501 8.726 1219 2HB LEU 60 HB1 LEU 60 3.802 10.145 8.567 1220 HG LEU 60 HG LEU 60 5.249 10.616 6.541 1221 1HD1 LEU 60 HD13 LEU 60 2.914 9.468 6.557 1222 2HD1 LEU 60 HD12 LEU 60 2.341 10.963 5.814 1223 3HD1 LEU 60 HD11 LEU 60 3.576 10.002 5.014 1224 1HD2 LEU 60 HD22 LEU 60 4.869 13.186 6.885 1225 2HD2 LEU 60 HD21 LEU 60 4.982 12.543 5.249 1226 3HD2 LEU 60 HD23 LEU 60 3.404 12.921 5.939 1227 H ASP 61 HN ASP 61 3.364 12.299 11.082 1228 HA ASP 61 HA ASP 61 1.439 10.290 11.982 1229 1HB ASP 61 HB2 ASP 61 3.241 12.261 13.416 1230 2HB ASP 61 HB1 ASP 61 2.152 11.174 14.279 1231 H GLU 62 HN GLU 62 -0.712 10.734 12.117 1232 HA GLU 62 HA GLU 62 -1.814 13.373 11.906 1233 1HB GLU 62 HB2 GLU 62 -2.998 10.736 12.786 1234 2HB GLU 62 HB1 GLU 62 -3.962 12.198 12.597 1235 1HG GLU 62 HG2 GLU 62 -2.254 10.997 10.396 1236 2HG GLU 62 HG1 GLU 62 -3.980 10.689 10.581 1237 H ASP 63 HN ASP 63 -1.327 11.237 14.722 1238 HA ASP 63 HA ASP 63 -2.333 13.391 16.523 1239 1HB ASP 63 HB2 ASP 63 -2.176 11.576 18.270 1240 2HB ASP 63 HB1 ASP 63 -3.298 11.226 16.953 1241 H GLY 64 HN GLY 64 0.559 12.513 15.191 1242 1HA GLY 64 HA2 GLY 64 2.782 12.993 15.759 1243 2HA GLY 64 HA1 GLY 64 2.118 14.170 16.891 1244 H ASP 65 HN ASP 65 1.976 10.596 16.760 1245 HA ASP 65 HA ASP 65 2.247 10.354 19.625 1246 1HB ASP 65 HB2 ASP 65 2.447 8.343 17.373 1247 2HB ASP 65 HB1 ASP 65 2.556 7.898 19.077 1248 H GLY 66 HN GLY 66 4.566 10.554 17.024 1249 1HA GLY 66 HA2 GLY 66 6.913 10.962 17.366 1250 2HA GLY 66 HA1 GLY 66 6.757 10.369 19.017 1251 H GLU 67 HN GLU 67 5.099 8.143 17.413 1252 HA GLU 67 HA GLU 67 7.449 6.550 16.490 1253 1HB GLU 67 HB2 GLU 67 6.944 5.932 18.852 1254 2HB GLU 67 HB1 GLU 67 5.301 5.516 18.360 1255 1HG GLU 67 HG2 GLU 67 6.108 3.783 16.881 1256 2HG GLU 67 HG1 GLU 67 7.781 4.280 17.135 1257 H CYS 68 HN CYS 68 6.967 5.214 14.768 1258 HA CYS 68 HA CYS 68 4.290 5.614 13.550 1259 1HB CYS 68 HB2 CYS 68 5.486 4.610 11.527 1260 2HB CYS 68 HB1 CYS 68 6.075 6.172 12.092 1261 HG CYS 68 HG CYS 68 8.272 5.136 12.553 1262 H ASP 69 HN ASP 69 2.780 4.031 13.818 1263 HA ASP 69 HA ASP 69 3.676 1.290 14.542 1264 1HB ASP 69 HB2 ASP 69 1.414 0.862 15.211 1265 2HB ASP 69 HB1 ASP 69 1.825 2.457 15.825 1266 H PHE 70 HN PHE 70 2.110 -0.460 13.518 1267 HA PHE 70 HA PHE 70 2.761 -0.660 10.770 1268 1HB PHE 70 HB2 PHE 70 2.233 -2.610 12.184 1269 2HB PHE 70 HB1 PHE 70 0.558 -2.066 12.321 1270 HD1 PHE 70 HD2 PHE 70 -0.959 -2.163 10.407 1271 HD2 PHE 70 HD1 PHE 70 3.101 -3.520 10.104 1272 HE1 PHE 70 HE2 PHE 70 -1.496 -3.280 8.260 1273 HE2 PHE 70 HE1 PHE 70 2.569 -4.631 7.953 1274 HZ PHE 70 HZ PHE 70 0.272 -4.511 7.031 1275 H GLN 71 HN GLN 71 -0.270 0.390 12.340 1276 HA GLN 71 HA GLN 71 -1.829 0.640 9.972 1277 1HB GLN 71 HB2 GLN 71 -2.768 0.778 12.255 1278 2HB GLN 71 HB1 GLN 71 -1.947 2.319 12.491 1279 1HG GLN 71 HG2 GLN 71 -3.224 3.341 10.692 1280 2HG GLN 71 HG1 GLN 71 -3.972 1.792 10.302 1281 1HE2 GLN 71 HE22 GLN 71 -5.298 2.245 13.966 1282 2HE2 GLN 71 HE21 GLN 71 -3.856 1.481 13.503 1283 H GLU 72 HN GLU 72 0.282 3.017 11.594 1284 HA GLU 72 HA GLU 72 -0.221 5.115 9.673 1285 1HB GLU 72 HB2 GLU 72 1.969 4.681 11.717 1286 2HB GLU 72 HB1 GLU 72 1.876 6.124 10.707 1287 1HG GLU 72 HG2 GLU 72 -0.347 6.642 11.579 1288 2HG GLU 72 HG1 GLU 72 -0.357 5.148 12.518 1289 H PHE 73 HN PHE 73 2.044 2.434 9.832 1290 HA PHE 73 HA PHE 73 3.920 3.337 7.889 1291 1HB PHE 73 HB2 PHE 73 4.265 1.323 9.277 1292 2HB PHE 73 HB1 PHE 73 2.942 0.517 8.436 1293 HD1 PHE 73 HD2 PHE 73 6.137 2.347 7.695 1294 HD2 PHE 73 HD1 PHE 73 3.455 -0.822 6.588 1295 HE1 PHE 73 HE2 PHE 73 7.716 1.627 5.924 1296 HE2 PHE 73 HE1 PHE 73 5.030 -1.539 4.817 1297 HZ PHE 73 HZ PHE 73 7.163 -0.316 4.487 1298 H MET 74 HN MET 74 0.857 1.549 7.518 1299 HA MET 74 HA MET 74 1.011 1.268 4.683 1300 1HB MET 74 HB2 MET 74 -1.262 1.305 6.665 1301 2HB MET 74 HB1 MET 74 -1.607 1.266 4.935 1302 1HG MET 74 HG2 MET 74 0.279 -0.696 6.251 1303 2HG MET 74 HG1 MET 74 -1.449 -1.007 6.091 1304 1HE MET 74 HE2 MET 74 0.165 -3.102 4.999 1305 2HE MET 74 HE1 MET 74 0.938 -2.952 3.421 1306 3HE MET 74 HE3 MET 74 1.600 -2.094 4.821 1307 H ALA 75 HN ALA 75 -0.242 3.885 6.729 1308 HA ALA 75 HA ALA 75 -1.366 5.467 4.643 1309 1HB ALA 75 HB2 ALA 75 -0.179 6.163 7.338 1310 2HB ALA 75 HB1 ALA 75 -0.851 7.398 6.269 1311 3HB ALA 75 HB3 ALA 75 -1.881 6.101 6.879 1312 H PHE 76 HN PHE 76 1.935 5.313 5.946 1313 HA PHE 76 HA PHE 76 3.029 7.498 4.495 1314 1HB PHE 76 HB2 PHE 76 4.216 6.371 6.334 1315 2HB PHE 76 HB1 PHE 76 4.378 4.923 5.341 1316 HD1 PHE 76 HD1 PHE 76 5.491 8.410 5.803 1317 HD2 PHE 76 HD2 PHE 76 5.888 4.843 3.449 1318 HE1 PHE 76 HE1 PHE 76 7.542 9.333 4.757 1319 HE2 PHE 76 HE2 PHE 76 7.939 5.762 2.401 1320 HZ PHE 76 HZ PHE 76 8.766 8.009 3.055 1321 H VAL 77 HN VAL 77 2.747 4.056 3.567 1322 HA VAL 77 HA VAL 77 4.154 4.322 1.089 1323 HB VAL 77 HB VAL 77 1.983 2.389 1.970 1324 1HG1 VAL 77 HG12 VAL 77 3.705 2.373 -0.528 1325 2HG1 VAL 77 HG11 VAL 77 2.760 0.995 0.036 1326 3HG1 VAL 77 HG13 VAL 77 1.943 2.475 -0.467 1327 1HG2 VAL 77 HG22 VAL 77 4.996 2.123 1.679 1328 2HG2 VAL 77 HG21 VAL 77 4.116 2.245 3.203 1329 3HG2 VAL 77 HG23 VAL 77 3.904 0.829 2.172 1330 H SER 78 HN SER 78 0.667 4.529 1.860 1331 HA SER 78 HA SER 78 -0.206 5.062 -0.799 1332 1HB SER 78 HB2 SER 78 -1.399 5.824 1.874 1333 2HB SER 78 HB1 SER 78 -2.215 6.096 0.333 1334 HG SER 78 HG SER 78 -2.883 4.117 0.780 1335 H MET 79 HN MET 79 0.805 7.291 1.787 1336 HA MET 79 HA MET 79 0.155 9.694 0.394 1337 1HB MET 79 HB2 MET 79 2.240 9.126 2.518 1338 2HB MET 79 HB1 MET 79 1.831 10.749 1.951 1339 1HG MET 79 HG2 MET 79 -0.280 8.829 2.954 1340 2HG MET 79 HG1 MET 79 0.579 9.910 4.044 1341 1HE MET 79 HE3 MET 79 0.560 12.468 3.916 1342 2HE MET 79 HE2 MET 79 -1.055 13.158 3.787 1343 3HE MET 79 HE1 MET 79 -0.774 11.780 4.847 1344 H VAL 80 HN VAL 80 3.115 7.710 0.372 1345 HA VAL 80 HA VAL 80 4.604 9.564 -1.256 1346 HB VAL 80 HB VAL 80 4.927 6.601 -0.733 1347 1HG1 VAL 80 HG12 VAL 80 6.580 8.490 -2.418 1348 2HG1 VAL 80 HG11 VAL 80 7.287 7.052 -1.673 1349 3HG1 VAL 80 HG13 VAL 80 5.977 6.887 -2.842 1350 1HG2 VAL 80 HG21 VAL 80 6.417 9.073 0.213 1351 2HG2 VAL 80 HG23 VAL 80 5.336 8.074 1.188 1352 3HG2 VAL 80 HG22 VAL 80 6.864 7.412 0.607 1353 H THR 81 HN THR 81 2.620 6.698 -2.098 1354 HA THR 81 HA THR 81 3.230 6.767 -4.895 1355 HB THR 81 HB THR 81 0.994 5.540 -5.097 1356 HG1 THR 81 HG1 THR 81 1.106 6.125 -2.345 1357 1HG2 THR 81 HG21 THR 81 3.152 4.614 -3.191 1358 2HG2 THR 81 HG23 THR 81 1.863 3.561 -3.769 1359 3HG2 THR 81 HG22 THR 81 3.011 4.255 -4.915 1360 H THR 82 HN THR 82 0.629 8.294 -3.003 1361 HA THR 82 HA THR 82 -0.715 9.455 -5.261 1362 HB THR 82 HB THR 82 -1.774 10.927 -3.568 1363 HG1 THR 82 HG1 THR 82 -0.820 9.931 -1.353 1364 1HG2 THR 82 HG22 THR 82 -1.478 7.989 -2.931 1365 2HG2 THR 82 HG21 THR 82 -2.576 9.036 -2.032 1366 3HG2 THR 82 HG23 THR 82 -2.807 8.799 -3.764 1367 H ALA 83 HN ALA 83 1.821 10.654 -3.090 1368 HA ALA 83 HA ALA 83 1.912 13.315 -4.174 1369 1HB ALA 83 HB2 ALA 83 2.854 12.667 -1.971 1370 2HB ALA 83 HB1 ALA 83 4.085 11.715 -2.800 1371 3HB ALA 83 HB3 ALA 83 4.055 13.467 -2.988 1372 H CYS 84 HN CYS 84 3.701 10.330 -4.894 1373 HA CYS 84 HA CYS 84 5.405 11.577 -6.887 1374 1HB CYS 84 HB2 CYS 84 6.212 9.551 -5.881 1375 2HB CYS 84 HB1 CYS 84 4.719 8.692 -6.252 1376 HG CYS 84 HG CYS 84 6.170 9.712 -8.750 1377 H HIS 85 HN HIS 85 5.084 11.636 -9.133 1378 HA HIS 85 HA HIS 85 2.311 11.542 -10.018 1379 1HB HIS 85 HB2 HIS 85 4.861 11.942 -11.613 1380 2HB HIS 85 HB1 HIS 85 3.225 12.253 -12.192 1381 HD1 HIS 85 HD1 HIS 85 5.274 14.552 -12.060 1382 HD2 HIS 85 HD2 HIS 85 2.605 13.666 -8.978 1383 HE1 HIS 85 HE1 HIS 85 5.019 16.674 -10.700 1384 HE2 HIS 85 HE2 HIS 85 3.425 16.137 -8.804 1385 H GLU 86 HN GLU 86 1.360 10.040 -11.366 1386 HA GLU 86 HA GLU 86 2.447 7.360 -11.412 1387 1HB GLU 86 HB2 GLU 86 0.086 8.653 -12.809 1388 2HB GLU 86 HB1 GLU 86 0.433 6.926 -12.882 1389 1HG GLU 86 HG2 GLU 86 0.194 6.696 -10.496 1390 2HG GLU 86 HG1 GLU 86 0.094 8.445 -10.287 1391 H PHE 87 HN PHE 87 1.620 6.706 -14.142 1392 HA PHE 87 HA PHE 87 2.636 6.469 -16.222 1393 1HB PHE 87 HB2 PHE 87 1.748 8.594 -16.752 1394 2HB PHE 87 HB1 PHE 87 2.861 9.435 -15.676 1395 HD1 PHE 87 HD2 PHE 87 2.809 7.261 -18.726 1396 HD2 PHE 87 HD1 PHE 87 4.841 10.353 -16.545 1397 HE1 PHE 87 HE2 PHE 87 4.381 7.563 -20.618 1398 HE2 PHE 87 HE1 PHE 87 6.414 10.655 -18.437 1399 HZ PHE 87 HZ PHE 87 6.182 9.264 -20.478 1400 H PHE 88 HN PHE 88 4.342 5.101 -15.595 1401 HA PHE 88 HA PHE 88 7.012 6.310 -15.771 1402 1HB PHE 88 HB2 PHE 88 6.474 6.369 -13.316 1403 2HB PHE 88 HB1 PHE 88 6.257 4.621 -13.356 1404 HD1 PHE 88 HD1 PHE 88 8.780 7.151 -14.550 1405 HD2 PHE 88 HD2 PHE 88 8.095 3.356 -12.653 1406 HE1 PHE 88 HE1 PHE 88 11.221 6.844 -14.274 1407 HE2 PHE 88 HE2 PHE 88 10.537 3.051 -12.379 1408 HZ PHE 88 HZ PHE 88 12.101 4.795 -13.190 1409 H GLU 89 HN GLU 89 8.519 4.010 -15.166 1410 HA GLU 89 HA GLU 89 9.244 2.094 -16.310 1411 1HB GLU 89 HB2 GLU 89 6.312 1.340 -16.154 1412 2HB GLU 89 HB1 GLU 89 7.674 0.246 -16.357 1413 1HG GLU 89 HG2 GLU 89 7.532 0.007 -14.083 1414 2HG GLU 89 HG1 GLU 89 8.425 1.526 -14.050 1415 H HIS 90 HN HIS 90 7.162 0.633 -18.051 1416 HA HIS 90 HA HIS 90 7.911 1.894 -20.537 1417 1HB HIS 90 HB2 HIS 90 5.725 -0.157 -20.107 1418 2HB HIS 90 HB1 HIS 90 6.591 0.182 -21.604 1419 HD1 HIS 90 HD1 HIS 90 7.017 -1.491 -18.251 1420 HD2 HIS 90 HD2 HIS 90 9.205 -0.919 -21.758 1421 HE1 HIS 90 HE1 HIS 90 9.055 -2.991 -18.080 1422 HE2 HIS 90 HE2 HIS 90 10.387 -2.657 -20.213 1423 H GLU 91 HN GLU 91 6.508 3.018 -22.021 1424 HA GLU 91 HA GLU 91 4.781 4.936 -20.885 1425 1HB GLU 91 HB2 GLU 91 3.967 5.345 -23.189 1426 2HB GLU 91 HB1 GLU 91 5.721 5.197 -23.143 1427 1HG GLU 91 HG2 GLU 91 5.487 2.795 -23.806 1428 2HG GLU 91 HG1 GLU 91 3.746 3.045 -23.960 No H/Q in entry = 1428 Start of MODEL 11 1 1H MET 0 HT2 MET 0 17.014 -7.661 -6.728 2 2H MET 0 HT1 MET 0 17.728 -8.008 -5.226 3 3H MET 0 HT3 MET 0 17.619 -9.217 -6.410 4 HA MET 0 HA MET 0 15.290 -9.370 -6.213 5 1HB MET 0 HB2 MET 0 15.174 -9.520 -3.523 6 2HB MET 0 HB1 MET 0 16.064 -10.702 -4.481 7 1HG MET 0 HG2 MET 0 17.399 -8.190 -3.473 8 2HG MET 0 HG1 MET 0 17.292 -9.638 -2.476 9 1HE MET 0 HE1 MET 0 17.855 -12.071 -3.589 10 2HE MET 0 HE3 MET 0 19.602 -12.146 -3.862 11 3HE MET 0 HE2 MET 0 18.964 -11.352 -2.425 12 H SER 1 HN SER 1 15.805 -7.384 -3.322 13 HA SER 1 HA SER 1 14.582 -5.536 -2.551 14 1HB SER 1 HB2 SER 1 14.523 -4.701 -5.457 15 2HB SER 1 HB1 SER 1 14.506 -3.669 -4.029 16 HG SER 1 HG SER 1 16.591 -3.652 -4.371 17 H GLU 2 HN GLU 2 12.793 -7.202 -2.257 18 HA GLU 2 HA GLU 2 10.664 -7.519 -4.116 19 1HB GLU 2 HB2 GLU 2 10.716 -7.636 -1.090 20 2HB GLU 2 HB1 GLU 2 9.305 -8.078 -2.052 21 1HG GLU 2 HG2 GLU 2 12.040 -9.316 -2.453 22 2HG GLU 2 HG1 GLU 2 10.799 -10.023 -1.417 23 H LEU 3 HN LEU 3 11.270 -5.050 -1.656 24 HA LEU 3 HA LEU 3 8.739 -3.762 -1.711 25 1HB LEU 3 HB2 LEU 3 11.519 -2.647 -1.288 26 2HB LEU 3 HB1 LEU 3 10.046 -1.739 -0.964 27 HG LEU 3 HG LEU 3 10.611 -4.439 0.289 28 1HD1 LEU 3 HD12 LEU 3 12.073 -2.090 0.851 29 2HD1 LEU 3 HD11 LEU 3 10.887 -2.196 2.145 30 3HD1 LEU 3 HD13 LEU 3 11.981 -3.541 1.834 31 1HD2 LEU 3 HD22 LEU 3 8.535 -2.279 0.671 32 2HD2 LEU 3 HD21 LEU 3 8.321 -4.023 0.545 33 3HD2 LEU 3 HD23 LEU 3 8.966 -3.320 2.024 34 H GLU 4 HN GLU 4 11.607 -3.291 -3.801 35 HA GLU 4 HA GLU 4 10.504 -1.045 -5.211 36 1HB GLU 4 HB2 GLU 4 12.618 -3.066 -5.978 37 2HB GLU 4 HB1 GLU 4 12.198 -1.682 -6.988 38 1HG GLU 4 HG2 GLU 4 12.729 -0.161 -5.109 39 2HG GLU 4 HG1 GLU 4 13.184 -1.549 -4.121 40 H LYS 5 HN LYS 5 10.371 -4.545 -5.827 41 HA LYS 5 HA LYS 5 8.992 -4.289 -8.347 42 1HB LYS 5 HB2 LYS 5 9.157 -6.580 -6.376 43 2HB LYS 5 HB1 LYS 5 8.327 -6.691 -7.927 44 1HG LYS 5 HG2 LYS 5 10.421 -6.108 -9.096 45 2HG LYS 5 HG1 LYS 5 11.257 -5.998 -7.545 46 1HD LYS 5 HD2 LYS 5 10.735 -8.365 -7.090 47 2HD LYS 5 HD1 LYS 5 9.903 -8.480 -8.642 48 1HE LYS 5 HE2 LYS 5 12.163 -9.360 -8.887 49 2HE LYS 5 HE1 LYS 5 12.032 -7.849 -9.785 50 1HZ LYS 5 HZ3 LYS 5 12.875 -7.661 -7.004 51 2HZ LYS 5 HZ2 LYS 5 13.993 -8.332 -8.095 52 3HZ LYS 5 HZ1 LYS 5 13.380 -6.768 -8.352 53 H ALA 6 HN ALA 6 7.909 -4.614 -4.993 54 HA ALA 6 HA ALA 6 5.148 -5.021 -5.510 55 1HB ALA 6 HB2 ALA 6 6.377 -5.144 -3.267 56 2HB ALA 6 HB1 ALA 6 6.220 -3.389 -3.201 57 3HB ALA 6 HB3 ALA 6 4.776 -4.406 -3.239 58 H MET 7 HN MET 7 6.961 -1.958 -5.096 59 HA MET 7 HA MET 7 4.711 -0.223 -5.321 60 1HB MET 7 HB2 MET 7 6.956 0.540 -4.616 61 2HB MET 7 HB1 MET 7 7.570 0.240 -6.239 62 1HG MET 7 HG2 MET 7 7.062 2.614 -5.989 63 2HG MET 7 HG1 MET 7 5.931 1.903 -7.132 64 1HE MET 7 HE2 MET 7 5.807 4.612 -5.489 65 2HE MET 7 HE1 MET 7 4.709 4.653 -4.111 66 3HE MET 7 HE3 MET 7 6.328 3.969 -3.934 67 H VAL 8 HN VAL 8 6.908 -1.500 -7.828 68 HA VAL 8 HA VAL 8 5.571 -0.205 -10.018 69 HB VAL 8 HB VAL 8 7.297 -2.697 -9.969 70 1HG1 VAL 8 HG12 VAL 8 6.170 -1.029 -12.224 71 2HG1 VAL 8 HG11 VAL 8 7.617 -2.015 -12.433 72 3HG1 VAL 8 HG13 VAL 8 6.084 -2.778 -12.014 73 1HG2 VAL 8 HG22 VAL 8 8.234 -0.409 -9.202 74 2HG2 VAL 8 HG21 VAL 8 9.123 -1.267 -10.458 75 3HG2 VAL 8 HG23 VAL 8 8.066 0.079 -10.888 76 H ALA 9 HN ALA 9 5.183 -3.380 -8.483 77 HA ALA 9 HA ALA 9 3.447 -4.565 -10.367 78 1HB ALA 9 HB1 ALA 9 4.423 -5.744 -8.403 79 2HB ALA 9 HB3 ALA 9 3.325 -4.847 -7.351 80 3HB ALA 9 HB2 ALA 9 2.681 -5.988 -8.531 81 H LEU 10 HN LEU 10 2.560 -2.566 -7.513 82 HA LEU 10 HA LEU 10 -0.245 -2.700 -7.983 83 1HB LEU 10 HB2 LEU 10 1.541 -0.781 -6.509 84 2HB LEU 10 HB1 LEU 10 -0.141 -0.330 -6.771 85 HG LEU 10 HG LEU 10 -0.794 -2.567 -5.755 86 1HD1 LEU 10 HD11 LEU 10 1.389 -3.690 -6.070 87 2HD1 LEU 10 HD13 LEU 10 2.121 -2.558 -4.930 88 3HD1 LEU 10 HD12 LEU 10 0.899 -3.699 -4.379 89 1HD2 LEU 10 HD22 LEU 10 0.731 -0.513 -4.137 90 2HD2 LEU 10 HD21 LEU 10 -1.009 -0.597 -4.405 91 3HD2 LEU 10 HD23 LEU 10 -0.212 -1.809 -3.403 92 H ILE 11 HN ILE 11 2.147 -0.287 -9.144 93 HA ILE 11 HA ILE 11 0.181 1.259 -10.575 94 HB ILE 11 HB ILE 11 3.159 0.970 -11.085 95 1HG1 ILE 11 HG12 ILE 11 2.713 1.792 -8.828 96 2HG1 ILE 11 HG11 ILE 11 3.309 3.115 -9.824 97 1HG2 ILE 11 HG23 ILE 11 1.089 2.931 -12.092 98 2HG2 ILE 11 HG22 ILE 11 2.821 3.265 -12.139 99 3HG2 ILE 11 HG21 ILE 11 2.161 1.901 -13.043 100 1HD1 ILE 11 HD11 ILE 11 0.702 3.518 -10.248 101 2HD1 ILE 11 HD13 ILE 11 0.566 2.665 -8.709 102 3HD1 ILE 11 HD12 ILE 11 1.500 4.154 -8.818 103 H ASP 12 HN ASP 12 2.344 -1.386 -11.569 104 HA ASP 12 HA ASP 12 1.696 -1.351 -14.330 105 1HB ASP 12 HB2 ASP 12 3.566 -2.657 -13.406 106 2HB ASP 12 HB1 ASP 12 2.423 -3.725 -12.591 107 H VAL 13 HN VAL 13 0.203 -3.301 -11.708 108 HA VAL 13 HA VAL 13 -1.753 -4.490 -13.462 109 HB VAL 13 HB VAL 13 -1.792 -4.119 -10.452 110 1HG1 VAL 13 HG11 VAL 13 -3.483 -5.784 -12.333 111 2HG1 VAL 13 HG13 VAL 13 -3.399 -6.076 -10.602 112 3HG1 VAL 13 HG12 VAL 13 -4.038 -4.552 -11.200 113 1HG2 VAL 13 HG21 VAL 13 0.127 -5.440 -11.402 114 2HG2 VAL 13 HG23 VAL 13 -0.945 -6.399 -10.380 115 3HG2 VAL 13 HG22 VAL 13 -1.048 -6.533 -12.135 116 H PHE 14 HN PHE 14 -1.844 -1.661 -11.306 117 HA PHE 14 HA PHE 14 -4.614 -1.075 -11.554 118 1HB PHE 14 HB2 PHE 14 -2.859 -0.014 -9.999 119 2HB PHE 14 HB1 PHE 14 -2.437 1.018 -11.362 120 HD1 PHE 14 HD2 PHE 14 -4.168 2.565 -12.335 121 HD2 PHE 14 HD1 PHE 14 -4.852 0.327 -8.733 122 HE1 PHE 14 HE2 PHE 14 -6.053 4.064 -11.752 123 HE2 PHE 14 HE1 PHE 14 -6.733 1.833 -8.154 124 HZ PHE 14 HZ PHE 14 -7.334 3.701 -9.664 125 H HIS 15 HN HIS 15 -1.849 0.028 -13.525 126 HA HIS 15 HA HIS 15 -3.368 1.695 -15.281 127 1HB HIS 15 HB2 HIS 15 -0.924 1.842 -15.079 128 2HB HIS 15 HB1 HIS 15 -0.762 0.234 -15.783 129 HD1 HIS 15 HD1 HIS 15 0.249 0.744 -18.039 130 HD2 HIS 15 HD2 HIS 15 -3.074 3.135 -17.228 131 HE1 HIS 15 HE1 HIS 15 -0.246 2.032 -20.167 132 HE2 HIS 15 HE2 HIS 15 -2.263 3.490 -19.682 133 H GLN 16 HN GLN 16 -2.437 -1.746 -15.563 134 HA GLN 16 HA GLN 16 -3.407 -2.074 -18.228 135 1HB GLN 16 HB2 GLN 16 -1.898 -3.642 -16.866 136 2HB GLN 16 HB1 GLN 16 -3.380 -4.259 -16.142 137 1HG GLN 16 HG2 GLN 16 -2.953 -4.142 -19.141 138 2HG GLN 16 HG1 GLN 16 -2.527 -5.548 -18.170 139 1HE2 GLN 16 HE22 GLN 16 -6.310 -5.171 -19.335 140 2HE2 GLN 16 HE21 GLN 16 -5.006 -4.351 -20.047 141 H TYR 17 HN TYR 17 -5.028 -2.938 -15.134 142 HA TYR 17 HA TYR 17 -7.497 -3.628 -16.469 143 1HB TYR 17 HB2 TYR 17 -6.767 -3.077 -13.589 144 2HB TYR 17 HB1 TYR 17 -8.442 -3.360 -14.064 145 HD1 TYR 17 HD2 TYR 17 -9.164 -5.527 -14.941 146 HD2 TYR 17 HD1 TYR 17 -5.098 -4.859 -13.729 147 HE1 TYR 17 HE2 TYR 17 -8.755 -7.973 -14.965 148 HE2 TYR 17 HE1 TYR 17 -4.690 -7.306 -13.755 149 HH TYR 17 HH TYR 17 -5.525 -9.303 -14.472 150 H SER 18 HN SER 18 -6.351 -0.675 -14.864 151 HA SER 18 HA SER 18 -8.848 0.733 -15.081 152 1HB SER 18 HB2 SER 18 -7.587 2.697 -14.492 153 2HB SER 18 HB1 SER 18 -6.924 1.351 -13.573 154 HG SER 18 HG SER 18 -5.917 2.370 -16.029 155 H GLY 19 HN GLY 19 -6.092 0.383 -17.267 156 1HA GLY 19 HA2 GLY 19 -6.915 2.449 -19.104 157 2HA GLY 19 HA1 GLY 19 -5.780 1.150 -19.466 158 H ARG 20 HN ARG 20 -8.852 0.138 -18.274 159 HA ARG 20 HA ARG 20 -9.436 -1.417 -20.581 160 1HB ARG 20 HB2 ARG 20 -10.397 -1.714 -18.242 161 2HB ARG 20 HB1 ARG 20 -11.481 -0.377 -18.612 162 1HG ARG 20 HG2 ARG 20 -12.828 -2.150 -19.276 163 2HG ARG 20 HG1 ARG 20 -11.996 -1.832 -20.796 164 1HD ARG 20 HD2 ARG 20 -11.843 -4.190 -20.460 165 2HD ARG 20 HD1 ARG 20 -10.254 -3.552 -20.033 166 HE ARG 20 HE ARG 20 -11.646 -3.563 -17.631 167 1HH1 ARG 20 HH21 ARG 20 -10.880 -5.834 -20.113 168 2HH1 ARG 20 HH22 ARG 20 -10.900 -7.200 -19.049 169 1HH2 ARG 20 HH11 ARG 20 -11.681 -5.333 -16.233 170 2HH2 ARG 20 HH12 ARG 20 -11.353 -6.918 -16.853 171 H GLU 21 HN GLU 21 -10.560 1.846 -19.642 172 HA GLU 21 HA GLU 21 -11.324 2.296 -22.482 173 1HB GLU 21 HB2 GLU 21 -13.345 1.494 -21.111 174 2HB GLU 21 HB1 GLU 21 -13.227 3.029 -20.249 175 1HG GLU 21 HG2 GLU 21 -13.409 4.240 -22.407 176 2HG GLU 21 HG1 GLU 21 -13.579 2.696 -23.242 177 H GLY 22 HN GLY 22 -9.106 3.453 -21.553 178 1HA GLY 22 HA2 GLY 22 -8.086 5.545 -21.245 179 2HA GLY 22 HA1 GLY 22 -9.620 6.253 -21.747 180 H ASP 23 HN ASP 23 -10.471 4.351 -19.234 181 HA ASP 23 HA ASP 23 -10.592 6.641 -17.395 182 1HB ASP 23 HB2 ASP 23 -11.648 3.808 -17.312 183 2HB ASP 23 HB1 ASP 23 -11.790 4.899 -15.933 184 H LYS 24 HN LYS 24 -8.041 6.417 -17.515 185 HA LYS 24 HA LYS 24 -6.802 4.340 -15.949 186 1HB LYS 24 HB2 LYS 24 -5.861 7.087 -16.792 187 2HB LYS 24 HB1 LYS 24 -4.843 5.944 -15.917 188 1HG LYS 24 HG2 LYS 24 -5.293 4.264 -17.744 189 2HG LYS 24 HG1 LYS 24 -6.100 5.546 -18.647 190 1HD LYS 24 HD2 LYS 24 -3.219 5.622 -17.694 191 2HD LYS 24 HD1 LYS 24 -3.735 5.288 -19.346 192 1HE LYS 24 HE2 LYS 24 -4.985 7.574 -19.172 193 2HE LYS 24 HE1 LYS 24 -3.914 7.867 -17.801 194 1HZ LYS 24 HZ1 LYS 24 -2.087 7.130 -19.436 195 2HZ LYS 24 HZ3 LYS 24 -3.228 7.489 -20.637 196 3HZ LYS 24 HZ2 LYS 24 -2.720 8.703 -19.561 197 H HIS 25 HN HIS 25 -7.947 7.616 -15.173 198 HA HIS 25 HA HIS 25 -6.979 7.362 -12.399 199 1HB HIS 25 HB2 HIS 25 -6.840 9.512 -13.666 200 2HB HIS 25 HB1 HIS 25 -8.602 9.584 -13.665 201 HD1 HIS 25 HD1 HIS 25 -9.620 10.751 -11.709 202 HD2 HIS 25 HD2 HIS 25 -5.787 9.352 -10.837 203 HE1 HIS 25 HE1 HIS 25 -9.073 11.562 -9.371 204 HE2 HIS 25 HE2 HIS 25 -6.739 10.725 -8.834 205 H LYS 26 HN LYS 26 -9.690 6.159 -13.910 206 HA LYS 26 HA LYS 26 -11.245 6.320 -11.347 207 1HB LYS 26 HB2 LYS 26 -12.282 6.823 -14.145 208 2HB LYS 26 HB1 LYS 26 -13.325 6.531 -12.753 209 1HG LYS 26 HG2 LYS 26 -12.328 8.462 -11.591 210 2HG LYS 26 HG1 LYS 26 -11.284 8.762 -12.982 211 1HD LYS 26 HD2 LYS 26 -13.273 9.099 -14.405 212 2HD LYS 26 HD1 LYS 26 -14.315 8.805 -13.012 213 1HE LYS 26 HE2 LYS 26 -13.039 10.729 -11.869 214 2HE LYS 26 HE1 LYS 26 -12.431 11.119 -13.478 215 1HZ LYS 26 HZ3 LYS 26 -15.316 10.720 -13.059 216 2HZ LYS 26 HZ2 LYS 26 -14.604 12.203 -12.641 217 3HZ LYS 26 HZ1 LYS 26 -14.519 11.644 -14.242 218 H LEU 27 HN LEU 27 -12.417 4.520 -10.826 219 HA LEU 27 HA LEU 27 -12.173 2.128 -12.623 220 1HB LEU 27 HB2 LEU 27 -12.098 2.329 -9.595 221 2HB LEU 27 HB1 LEU 27 -12.250 0.805 -10.465 222 HG LEU 27 HG LEU 27 -9.980 2.668 -11.158 223 1HD1 LEU 27 HD11 LEU 27 -10.196 0.881 -8.729 224 2HD1 LEU 27 HD13 LEU 27 -8.638 1.281 -9.442 225 3HD1 LEU 27 HD12 LEU 27 -9.669 2.561 -8.806 226 1HD2 LEU 27 HD22 LEU 27 -10.578 0.498 -12.424 227 2HD2 LEU 27 HD21 LEU 27 -8.908 0.654 -11.881 228 3HD2 LEU 27 HD23 LEU 27 -10.033 -0.360 -10.983 229 H LYS 28 HN LYS 28 -14.073 0.930 -12.904 230 HA LYS 28 HA LYS 28 -16.564 2.202 -11.864 231 1HB LYS 28 HB2 LYS 28 -16.064 0.214 -14.095 232 2HB LYS 28 HB1 LYS 28 -17.676 0.697 -13.568 233 1HG LYS 28 HG2 LYS 28 -17.135 3.055 -14.065 234 2HG LYS 28 HG1 LYS 28 -15.523 2.571 -14.597 235 1HD LYS 28 HD2 LYS 28 -16.522 1.153 -16.353 236 2HD LYS 28 HD1 LYS 28 -18.135 1.633 -15.827 237 1HE LYS 28 HE2 LYS 28 -17.855 3.197 -17.506 238 2HE LYS 28 HE1 LYS 28 -17.064 4.094 -16.210 239 1HZ LYS 28 HZ3 LYS 28 -15.422 2.189 -17.681 240 2HZ LYS 28 HZ2 LYS 28 -15.904 3.584 -18.525 241 3HZ LYS 28 HZ1 LYS 28 -15.027 3.722 -17.075 242 H LYS 29 HN LYS 29 -18.347 0.664 -11.242 243 HA LYS 29 HA LYS 29 -17.532 -1.033 -9.110 244 1HB LYS 29 HB2 LYS 29 -19.916 -1.890 -9.229 245 2HB LYS 29 HB1 LYS 29 -19.773 -0.137 -9.109 246 1HG LYS 29 HG2 LYS 29 -20.048 0.055 -11.561 247 2HG LYS 29 HG1 LYS 29 -20.202 -1.696 -11.678 248 1HD LYS 29 HD2 LYS 29 -22.195 -1.630 -10.228 249 2HD LYS 29 HD1 LYS 29 -22.050 0.123 -10.114 250 1HE LYS 29 HE2 LYS 29 -22.152 -1.060 -12.867 251 2HE LYS 29 HE1 LYS 29 -23.648 -1.035 -11.933 252 1HZ LYS 29 HZ1 LYS 29 -23.110 1.376 -11.487 253 2HZ LYS 29 HZ3 LYS 29 -21.950 1.255 -12.717 254 3HZ LYS 29 HZ2 LYS 29 -23.592 0.987 -13.071 255 H SER 30 HN SER 30 -18.385 -1.764 -12.479 256 HA SER 30 HA SER 30 -18.329 -4.606 -12.258 257 1HB SER 30 HB2 SER 30 -19.168 -3.295 -14.238 258 2HB SER 30 HB1 SER 30 -17.492 -2.950 -14.653 259 HG SER 30 HG SER 30 -18.016 -4.766 -15.766 260 H GLU 31 HN GLU 31 -15.746 -2.242 -12.888 261 HA GLU 31 HA GLU 31 -13.681 -4.119 -13.444 262 1HB GLU 31 HB2 GLU 31 -13.580 -1.359 -12.203 263 2HB GLU 31 HB1 GLU 31 -12.137 -2.279 -12.635 264 1HG GLU 31 HG2 GLU 31 -13.004 -2.443 -14.979 265 2HG GLU 31 HG1 GLU 31 -14.341 -1.390 -14.516 266 H LEU 32 HN LEU 32 -14.861 -2.803 -10.355 267 HA LEU 32 HA LEU 32 -12.828 -3.999 -8.741 268 1HB LEU 32 HB2 LEU 32 -15.673 -3.214 -8.087 269 2HB LEU 32 HB1 LEU 32 -14.515 -3.756 -6.878 270 HG LEU 32 HG LEU 32 -14.037 -1.397 -8.730 271 1HD1 LEU 32 HD12 LEU 32 -15.977 -1.001 -7.240 272 2HD1 LEU 32 HD11 LEU 32 -14.979 -1.414 -5.844 273 3HD1 LEU 32 HD13 LEU 32 -14.607 0.018 -6.801 274 1HD2 LEU 32 HD22 LEU 32 -12.560 -2.613 -6.392 275 2HD2 LEU 32 HD21 LEU 32 -11.921 -2.053 -7.936 276 3HD2 LEU 32 HD23 LEU 32 -12.413 -0.887 -6.710 277 H LYS 33 HN LYS 33 -15.994 -5.208 -9.822 278 HA LYS 33 HA LYS 33 -16.014 -7.573 -8.243 279 1HB LYS 33 HB2 LYS 33 -17.940 -6.701 -9.576 280 2HB LYS 33 HB1 LYS 33 -17.132 -7.240 -11.042 281 1HG LYS 33 HG2 LYS 33 -17.260 -9.394 -9.035 282 2HG LYS 33 HG1 LYS 33 -18.864 -8.784 -9.419 283 1HD LYS 33 HD2 LYS 33 -16.905 -9.480 -11.613 284 2HD LYS 33 HD1 LYS 33 -17.914 -10.716 -10.865 285 1HE LYS 33 HE2 LYS 33 -19.937 -9.494 -11.473 286 2HE LYS 33 HE1 LYS 33 -18.974 -8.170 -12.130 287 1HZ LYS 33 HZ3 LYS 33 -18.747 -10.953 -13.116 288 2HZ LYS 33 HZ2 LYS 33 -19.833 -9.830 -13.783 289 3HZ LYS 33 HZ1 LYS 33 -18.161 -9.537 -13.842 290 H GLU 34 HN GLU 34 -14.818 -7.111 -11.582 291 HA GLU 34 HA GLU 34 -13.820 -9.807 -11.807 292 1HB GLU 34 HB2 GLU 34 -13.184 -7.262 -13.330 293 2HB GLU 34 HB1 GLU 34 -12.536 -8.844 -13.766 294 1HG GLU 34 HG2 GLU 34 -14.819 -9.723 -14.028 295 2HG GLU 34 HG1 GLU 34 -15.484 -8.157 -13.565 296 H LEU 35 HN LEU 35 -12.361 -6.724 -10.869 297 HA LEU 35 HA LEU 35 -9.657 -7.535 -10.773 298 1HB LEU 35 HB2 LEU 35 -10.392 -5.191 -10.615 299 2HB LEU 35 HB1 LEU 35 -11.104 -5.518 -9.039 300 HG LEU 35 HG LEU 35 -8.879 -6.083 -8.136 301 1HD1 LEU 35 HD13 LEU 35 -8.095 -5.669 -11.016 302 2HD1 LEU 35 HD12 LEU 35 -6.928 -5.297 -9.748 303 3HD1 LEU 35 HD11 LEU 35 -7.582 -6.925 -9.884 304 1HD2 LEU 35 HD23 LEU 35 -9.202 -3.424 -9.541 305 2HD2 LEU 35 HD22 LEU 35 -9.525 -3.804 -7.849 306 3HD2 LEU 35 HD21 LEU 35 -7.864 -3.751 -8.442 307 H ILE 36 HN ILE 36 -12.058 -7.562 -8.070 308 HA ILE 36 HA ILE 36 -10.238 -8.569 -6.121 309 HB ILE 36 HB ILE 36 -13.223 -8.499 -6.379 310 1HG1 ILE 36 HG12 ILE 36 -13.092 -7.218 -4.342 311 2HG1 ILE 36 HG11 ILE 36 -11.430 -7.720 -4.059 312 1HG2 ILE 36 HG23 ILE 36 -11.709 -10.305 -4.492 313 2HG2 ILE 36 HG22 ILE 36 -13.286 -9.648 -4.047 314 3HG2 ILE 36 HG21 ILE 36 -13.125 -10.679 -5.470 315 1HD1 ILE 36 HD13 ILE 36 -12.004 -6.284 -6.614 316 2HD1 ILE 36 HD12 ILE 36 -12.034 -5.345 -5.131 317 3HD1 ILE 36 HD11 ILE 36 -10.578 -6.225 -5.585 318 H ASN 37 HN ASN 37 -12.313 -10.343 -8.422 319 HA ASN 37 HA ASN 37 -11.761 -12.942 -7.397 320 1HB ASN 37 HB2 ASN 37 -12.447 -11.985 -10.185 321 2HB ASN 37 HB1 ASN 37 -12.265 -13.693 -9.782 322 1HD2 ASN 37 HD22 ASN 37 -15.660 -11.762 -8.740 323 2HD2 ASN 37 HD21 ASN 37 -14.445 -11.003 -9.648 324 H ASN 38 HN ASN 38 -9.975 -10.922 -9.692 325 HA ASN 38 HA ASN 38 -8.116 -12.850 -10.596 326 1HB ASN 38 HB2 ASN 38 -7.866 -9.862 -10.231 327 2HB ASN 38 HB1 ASN 38 -6.637 -10.844 -11.031 328 1HD2 ASN 38 HD21 ASN 38 -8.301 -12.673 -12.435 329 2HD2 ASN 38 HD22 ASN 38 -9.197 -11.817 -13.596 330 H GLU 39 HN GLU 39 -7.860 -10.741 -7.677 331 HA GLU 39 HA GLU 39 -5.340 -12.226 -6.984 332 1HB GLU 39 HB2 GLU 39 -5.745 -9.994 -5.201 333 2HB GLU 39 HB1 GLU 39 -4.470 -10.220 -6.390 334 1HG GLU 39 HG2 GLU 39 -5.556 -8.174 -6.951 335 2HG GLU 39 HG1 GLU 39 -6.123 -9.350 -8.135 336 H LEU 40 HN LEU 40 -7.789 -10.594 -4.940 337 HA LEU 40 HA LEU 40 -7.519 -12.772 -2.983 338 1HB LEU 40 HB2 LEU 40 -9.400 -10.395 -2.937 339 2HB LEU 40 HB1 LEU 40 -8.970 -11.428 -1.578 340 HG LEU 40 HG LEU 40 -6.466 -10.605 -2.452 341 1HD1 LEU 40 HD13 LEU 40 -7.832 -9.002 -4.002 342 2HD1 LEU 40 HD12 LEU 40 -8.116 -8.079 -2.527 343 3HD1 LEU 40 HD11 LEU 40 -6.468 -8.349 -3.097 344 1HD2 LEU 40 HD21 LEU 40 -8.263 -9.230 -0.423 345 2HD2 LEU 40 HD23 LEU 40 -7.232 -10.630 -0.116 346 3HD2 LEU 40 HD22 LEU 40 -6.509 -9.070 -0.501 347 H SER 41 HN SER 41 -8.414 -14.487 -4.359 348 HA SER 41 HA SER 41 -11.373 -14.330 -4.792 349 1HB SER 41 HB2 SER 41 -11.085 -15.812 -6.539 350 2HB SER 41 HB1 SER 41 -9.450 -15.159 -6.514 351 HG SER 41 HG SER 41 -9.278 -17.366 -6.426 352 H HIS 42 HN HIS 42 -8.884 -16.575 -3.585 353 HA HIS 42 HA HIS 42 -10.766 -18.310 -2.264 354 1HB HIS 42 HB2 HIS 42 -7.769 -17.952 -2.014 355 2HB HIS 42 HB1 HIS 42 -8.669 -19.211 -1.163 356 HD1 HIS 42 HD1 HIS 42 -9.988 -20.954 -2.698 357 HD2 HIS 42 HD2 HIS 42 -7.308 -18.491 -4.731 358 HE1 HIS 42 HE1 HIS 42 -9.685 -21.973 -5.000 359 HE2 HIS 42 HE2 HIS 42 -8.058 -20.477 -6.246 360 H PHE 43 HN PHE 43 -8.841 -15.535 -1.198 361 HA PHE 43 HA PHE 43 -9.223 -15.814 1.604 362 1HB PHE 43 HB2 PHE 43 -8.844 -13.410 -0.193 363 2HB PHE 43 HB1 PHE 43 -8.989 -13.242 1.557 364 HD1 PHE 43 HD1 PHE 43 -6.916 -14.527 -1.199 365 HD2 PHE 43 HD2 PHE 43 -7.263 -14.081 3.058 366 HE1 PHE 43 HE1 PHE 43 -4.521 -15.113 -0.945 367 HE2 PHE 43 HE2 PHE 43 -4.870 -14.672 3.315 368 HZ PHE 43 HZ PHE 43 -3.496 -15.188 1.313 369 H LEU 44 HN LEU 44 -11.272 -14.277 -0.867 370 HA LEU 44 HA LEU 44 -13.346 -13.703 1.205 371 1HB LEU 44 HB2 LEU 44 -12.875 -12.755 -1.622 372 2HB LEU 44 HB1 LEU 44 -14.447 -12.548 -0.850 373 HG LEU 44 HG LEU 44 -13.474 -11.239 0.940 374 1HD1 LEU 44 HD12 LEU 44 -10.862 -12.112 -0.295 375 2HD1 LEU 44 HD11 LEU 44 -10.954 -10.670 0.714 376 3HD1 LEU 44 HD13 LEU 44 -11.387 -12.243 1.384 377 1HD2 LEU 44 HD23 LEU 44 -12.568 -10.460 -1.842 378 2HD2 LEU 44 HD22 LEU 44 -13.977 -9.882 -0.953 379 3HD2 LEU 44 HD21 LEU 44 -12.359 -9.391 -0.457 380 H GLU 45 HN GLU 45 -12.551 -16.349 -0.310 381 HA GLU 45 HA GLU 45 -13.662 -18.231 -1.107 382 1HB GLU 45 HB2 GLU 45 -15.916 -16.857 0.370 383 2HB GLU 45 HB1 GLU 45 -16.079 -18.452 -0.358 384 1HG GLU 45 HG2 GLU 45 -13.941 -17.728 1.664 385 2HG GLU 45 HG1 GLU 45 -15.467 -18.509 2.081 386 H GLU 46 HN GLU 46 -13.362 -16.112 -2.967 387 HA GLU 46 HA GLU 46 -14.251 -15.316 -5.002 388 1HB GLU 46 HB2 GLU 46 -15.331 -18.133 -4.784 389 2HB GLU 46 HB1 GLU 46 -15.543 -17.149 -6.231 390 1HG GLU 46 HG2 GLU 46 -13.159 -16.970 -6.548 391 2HG GLU 46 HG1 GLU 46 -12.843 -17.724 -4.984 392 H ILE 47 HN ILE 47 -15.666 -13.620 -4.419 393 HA ILE 47 HA ILE 47 -18.251 -13.971 -3.259 394 HB ILE 47 HB ILE 47 -17.158 -11.778 -5.052 395 1HG1 ILE 47 HG12 ILE 47 -17.684 -11.797 -2.065 396 2HG1 ILE 47 HG11 ILE 47 -16.116 -12.186 -2.774 397 1HG2 ILE 47 HG21 ILE 47 -19.790 -12.043 -3.589 398 2HG2 ILE 47 HG23 ILE 47 -19.106 -10.466 -3.987 399 3HG2 ILE 47 HG22 ILE 47 -19.516 -11.600 -5.272 400 1HD1 ILE 47 HD13 ILE 47 -17.622 -9.585 -3.175 401 2HD1 ILE 47 HD12 ILE 47 -16.235 -9.807 -2.111 402 3HD1 ILE 47 HD11 ILE 47 -16.042 -9.978 -3.855 403 H LYS 48 HN LYS 48 -19.979 -14.996 -4.159 404 HA LYS 48 HA LYS 48 -20.084 -15.285 -7.131 405 1HB LYS 48 HB2 LYS 48 -21.973 -16.992 -6.389 406 2HB LYS 48 HB1 LYS 48 -20.272 -17.434 -6.270 407 1HG LYS 48 HG2 LYS 48 -21.473 -18.015 -4.200 408 2HG LYS 48 HG1 LYS 48 -20.263 -16.774 -3.883 409 1HD LYS 48 HD2 LYS 48 -21.897 -15.060 -3.761 410 2HD LYS 48 HD1 LYS 48 -23.119 -16.073 -4.526 411 1HE LYS 48 HE2 LYS 48 -23.257 -17.491 -2.571 412 2HE LYS 48 HE1 LYS 48 -21.895 -16.656 -1.820 413 1HZ LYS 48 HZ3 LYS 48 -23.371 -14.578 -2.146 414 2HZ LYS 48 HZ2 LYS 48 -24.644 -15.699 -2.262 415 3HZ LYS 48 HZ1 LYS 48 -23.696 -15.626 -0.854 416 H GLU 49 HN GLU 49 -21.405 -13.299 -4.765 417 HA GLU 49 HA GLU 49 -23.939 -12.892 -6.337 418 1HB GLU 49 HB2 GLU 49 -23.277 -12.667 -3.423 419 2HB GLU 49 HB1 GLU 49 -24.427 -11.500 -4.067 420 1HG GLU 49 HG2 GLU 49 -24.707 -14.488 -4.455 421 2HG GLU 49 HG1 GLU 49 -25.477 -13.606 -3.146 422 H GLN 50 HN GLN 50 -24.170 -10.989 -7.397 423 HA GLN 50 HA GLN 50 -21.973 -9.121 -7.546 424 1HB GLN 50 HB2 GLN 50 -24.828 -8.913 -8.552 425 2HB GLN 50 HB1 GLN 50 -23.540 -7.779 -8.954 426 1HG GLN 50 HG2 GLN 50 -23.489 -9.259 -10.775 427 2HG GLN 50 HG1 GLN 50 -22.228 -9.909 -9.730 428 1HE2 GLN 50 HE22 GLN 50 -23.917 -12.964 -9.193 429 2HE2 GLN 50 HE21 GLN 50 -22.523 -12.036 -8.918 430 H GLU 51 HN GLU 51 -25.097 -9.108 -5.863 431 HA GLU 51 HA GLU 51 -25.092 -6.386 -5.054 432 1HB GLU 51 HB2 GLU 51 -26.514 -7.218 -3.119 433 2HB GLU 51 HB1 GLU 51 -27.087 -7.684 -4.722 434 1HG GLU 51 HG2 GLU 51 -26.044 -9.880 -4.482 435 2HG GLU 51 HG1 GLU 51 -25.391 -9.427 -2.909 436 H VAL 52 HN VAL 52 -23.408 -9.190 -3.673 437 HA VAL 52 HA VAL 52 -22.659 -7.989 -1.198 438 HB VAL 52 HB VAL 52 -21.230 -10.027 -2.930 439 1HG1 VAL 52 HG11 VAL 52 -20.532 -8.876 -0.230 440 2HG1 VAL 52 HG13 VAL 52 -20.071 -10.525 -0.644 441 3HG1 VAL 52 HG12 VAL 52 -19.478 -9.176 -1.613 442 1HG2 VAL 52 HG23 VAL 52 -23.464 -10.623 -1.941 443 2HG2 VAL 52 HG22 VAL 52 -22.141 -11.634 -1.357 444 3HG2 VAL 52 HG21 VAL 52 -22.781 -10.339 -0.342 445 H VAL 53 HN VAL 53 -21.153 -7.860 -4.420 446 HA VAL 53 HA VAL 53 -18.839 -6.369 -3.653 447 HB VAL 53 HB VAL 53 -20.375 -6.521 -6.264 448 1HG1 VAL 53 HG12 VAL 53 -17.802 -5.091 -5.564 449 2HG1 VAL 53 HG11 VAL 53 -18.179 -5.589 -7.214 450 3HG1 VAL 53 HG13 VAL 53 -19.220 -4.434 -6.382 451 1HG2 VAL 53 HG21 VAL 53 -19.229 -8.583 -5.431 452 2HG2 VAL 53 HG23 VAL 53 -18.529 -7.978 -6.932 453 3HG2 VAL 53 HG22 VAL 53 -17.710 -7.688 -5.398 454 H ASP 54 HN ASP 54 -22.094 -5.337 -4.662 455 HA ASP 54 HA ASP 54 -21.552 -2.531 -4.670 456 1HB ASP 54 HB2 ASP 54 -23.582 -3.497 -5.678 457 2HB ASP 54 HB1 ASP 54 -24.155 -3.970 -4.080 458 H LYS 55 HN LYS 55 -22.682 -4.700 -2.073 459 HA LYS 55 HA LYS 55 -23.147 -2.691 -0.108 460 1HB LYS 55 HB2 LYS 55 -23.632 -5.269 -0.083 461 2HB LYS 55 HB1 LYS 55 -22.013 -5.402 0.594 462 1HG LYS 55 HG2 LYS 55 -24.214 -3.655 1.746 463 2HG LYS 55 HG1 LYS 55 -23.808 -5.266 2.334 464 1HD LYS 55 HD2 LYS 55 -21.370 -4.271 2.533 465 2HD LYS 55 HD1 LYS 55 -22.211 -2.724 2.522 466 1HE LYS 55 HE2 LYS 55 -22.478 -4.971 4.517 467 2HE LYS 55 HE1 LYS 55 -22.044 -3.289 4.817 468 1HZ LYS 55 HZ1 LYS 55 -24.463 -3.109 3.607 469 2HZ LYS 55 HZ3 LYS 55 -24.639 -4.493 4.571 470 3HZ LYS 55 HZ2 LYS 55 -24.189 -3.017 5.282 471 H VAL 56 HN VAL 56 -20.213 -4.611 -0.788 472 HA VAL 56 HA VAL 56 -18.582 -3.301 1.181 473 HB VAL 56 HB VAL 56 -17.909 -4.825 -1.352 474 1HG1 VAL 56 HG13 VAL 56 -16.114 -3.616 0.760 475 2HG1 VAL 56 HG12 VAL 56 -15.601 -4.981 -0.233 476 3HG1 VAL 56 HG11 VAL 56 -16.008 -3.442 -0.995 477 1HG2 VAL 56 HG23 VAL 56 -19.008 -6.009 0.601 478 2HG2 VAL 56 HG22 VAL 56 -17.423 -6.644 0.158 479 3HG2 VAL 56 HG21 VAL 56 -17.594 -5.592 1.564 480 H MET 57 HN MET 57 -19.139 -2.715 -2.278 481 HA MET 57 HA MET 57 -17.227 -0.624 -2.604 482 1HB MET 57 HB2 MET 57 -18.370 -1.744 -4.493 483 2HB MET 57 HB1 MET 57 -19.892 -1.001 -4.005 484 1HG MET 57 HG2 MET 57 -18.956 1.233 -4.380 485 2HG MET 57 HG1 MET 57 -17.396 0.527 -4.800 486 1HE MET 57 HE3 MET 57 -17.804 2.254 -6.455 487 2HE MET 57 HE2 MET 57 -18.052 1.706 -8.108 488 3HE MET 57 HE1 MET 57 -19.385 2.446 -7.227 489 H GLU 58 HN GLU 58 -20.610 -0.585 -1.555 490 HA GLU 58 HA GLU 58 -20.963 2.230 -1.464 491 1HB GLU 58 HB2 GLU 58 -22.801 0.586 -1.249 492 2HB GLU 58 HB1 GLU 58 -22.193 0.117 0.334 493 1HG GLU 58 HG2 GLU 58 -22.860 2.998 -0.281 494 2HG GLU 58 HG1 GLU 58 -24.115 1.868 0.221 495 H THR 59 HN THR 59 -19.629 -0.010 0.961 496 HA THR 59 HA THR 59 -19.427 1.833 3.114 497 HB THR 59 HB THR 59 -17.587 -0.478 2.432 498 HG1 THR 59 HG1 THR 59 -19.971 -0.254 3.939 499 1HG2 THR 59 HG22 THR 59 -18.028 1.124 4.959 500 2HG2 THR 59 HG21 THR 59 -17.237 -0.454 4.943 501 3HG2 THR 59 HG23 THR 59 -16.517 0.901 4.076 502 H LEU 60 HN LEU 60 -17.061 1.098 0.531 503 HA LEU 60 HA LEU 60 -15.076 2.921 1.553 504 1HB LEU 60 HB2 LEU 60 -15.506 1.580 -1.114 505 2HB LEU 60 HB1 LEU 60 -14.227 2.771 -0.914 506 HG LEU 60 HG LEU 60 -13.551 0.336 -0.565 507 1HD1 LEU 60 HD13 LEU 60 -12.396 2.462 0.428 508 2HD1 LEU 60 HD12 LEU 60 -13.064 1.909 1.962 509 3HD1 LEU 60 HD11 LEU 60 -11.958 0.879 1.061 510 1HD2 LEU 60 HD22 LEU 60 -15.696 -0.162 0.743 511 2HD2 LEU 60 HD21 LEU 60 -14.201 -0.806 1.416 512 3HD2 LEU 60 HD23 LEU 60 -14.926 0.646 2.110 513 H ASP 61 HN ASP 61 -17.658 3.265 -0.860 514 HA ASP 61 HA ASP 61 -16.890 6.033 -1.438 515 1HB ASP 61 HB2 ASP 61 -19.279 4.347 -2.222 516 2HB ASP 61 HB1 ASP 61 -19.083 6.029 -2.717 517 H GLU 62 HN GLU 62 -17.080 6.118 1.175 518 HA GLU 62 HA GLU 62 -19.659 6.443 2.339 519 1HB GLU 62 HB2 GLU 62 -17.500 6.286 3.618 520 2HB GLU 62 HB1 GLU 62 -17.126 7.928 3.095 521 1HG GLU 62 HG2 GLU 62 -19.140 8.776 4.195 522 2HG GLU 62 HG1 GLU 62 -19.599 7.136 4.662 523 H ASP 63 HN ASP 63 -17.623 8.579 0.431 524 HA ASP 63 HA ASP 63 -19.267 10.940 0.912 525 1HB ASP 63 HB2 ASP 63 -17.915 11.933 -0.922 526 2HB ASP 63 HB1 ASP 63 -16.899 11.179 0.306 527 H GLY 64 HN GLY 64 -19.621 8.143 -0.973 528 1HA GLY 64 HA2 GLY 64 -21.295 7.538 -2.501 529 2HA GLY 64 HA1 GLY 64 -22.092 9.064 -2.125 530 H ASP 65 HN ASP 65 -18.788 8.940 -3.332 531 HA ASP 65 HA ASP 65 -19.353 10.775 -5.454 532 1HB ASP 65 HB2 ASP 65 -17.026 8.894 -4.997 533 2HB ASP 65 HB1 ASP 65 -17.079 10.066 -6.315 534 H GLY 66 HN GLY 66 -19.187 7.241 -5.348 535 1HA GLY 66 HA2 GLY 66 -20.475 5.825 -6.813 536 2HA GLY 66 HA1 GLY 66 -20.602 7.156 -7.962 537 H GLU 67 HN GLU 67 -17.486 7.343 -7.155 538 HA GLU 67 HA GLU 67 -16.555 5.182 -9.010 539 1HB GLU 67 HB2 GLU 67 -15.880 8.136 -9.140 540 2HB GLU 67 HB1 GLU 67 -14.978 6.889 -10.000 541 1HG GLU 67 HG2 GLU 67 -17.966 7.289 -10.288 542 2HG GLU 67 HG1 GLU 67 -16.777 8.001 -11.380 543 H CYS 68 HN CYS 68 -14.444 4.422 -8.561 544 HA CYS 68 HA CYS 68 -13.429 5.177 -5.855 545 1HB CYS 68 HB2 CYS 68 -13.273 2.733 -7.574 546 2HB CYS 68 HB1 CYS 68 -11.958 3.021 -6.436 547 HG CYS 68 HG CYS 68 -14.336 3.382 -4.799 548 H ASP 69 HN ASP 69 -11.780 6.588 -5.786 549 HA ASP 69 HA ASP 69 -10.081 7.015 -8.171 550 1HB ASP 69 HB2 ASP 69 -9.110 8.857 -6.682 551 2HB ASP 69 HB1 ASP 69 -10.801 9.040 -7.147 552 H PHE 70 HN PHE 70 -7.647 7.522 -7.434 553 HA PHE 70 HA PHE 70 -6.460 5.030 -6.755 554 1HB PHE 70 HB2 PHE 70 -5.587 7.697 -7.464 555 2HB PHE 70 HB1 PHE 70 -4.605 7.135 -6.120 556 HD1 PHE 70 HD1 PHE 70 -3.232 5.086 -6.332 557 HD2 PHE 70 HD2 PHE 70 -5.457 6.661 -9.650 558 HE1 PHE 70 HE1 PHE 70 -1.893 3.699 -7.885 559 HE2 PHE 70 HE2 PHE 70 -4.118 5.269 -11.206 560 HZ PHE 70 HZ PHE 70 -2.335 3.788 -10.324 561 H GLN 71 HN GLN 71 -6.998 7.933 -4.715 562 HA GLN 71 HA GLN 71 -5.711 6.905 -2.396 563 1HB GLN 71 HB2 GLN 71 -6.464 9.280 -2.660 564 2HB GLN 71 HB1 GLN 71 -8.131 8.737 -2.487 565 1HG GLN 71 HG2 GLN 71 -7.301 9.558 -0.336 566 2HG GLN 71 HG1 GLN 71 -7.582 7.821 -0.243 567 1HE2 GLN 71 HE22 GLN 71 -4.260 7.213 0.723 568 2HE2 GLN 71 HE21 GLN 71 -5.891 6.744 0.773 569 H GLU 72 HN GLU 72 -9.141 6.705 -3.408 570 HA GLU 72 HA GLU 72 -9.991 5.167 -1.157 571 1HB GLU 72 HB2 GLU 72 -11.066 5.382 -3.976 572 2HB GLU 72 HB1 GLU 72 -11.859 4.418 -2.727 573 1HG GLU 72 HG2 GLU 72 -11.980 6.440 -1.282 574 2HG GLU 72 HG1 GLU 72 -11.260 7.390 -2.582 575 H PHE 73 HN PHE 73 -8.633 4.206 -4.301 576 HA PHE 73 HA PHE 73 -8.985 1.395 -3.995 577 1HB PHE 73 HB2 PHE 73 -8.299 2.329 -6.136 578 2HB PHE 73 HB1 PHE 73 -6.809 2.954 -5.429 579 HD1 PHE 73 HD1 PHE 73 -8.682 -0.302 -5.613 580 HD2 PHE 73 HD2 PHE 73 -4.875 1.682 -5.787 581 HE1 PHE 73 HE1 PHE 73 -7.572 -2.468 -6.073 582 HE2 PHE 73 HE2 PHE 73 -3.766 -0.487 -6.244 583 HZ PHE 73 HZ PHE 73 -5.114 -2.562 -6.386 584 H MET 74 HN MET 74 -6.189 3.456 -3.138 585 HA MET 74 HA MET 74 -4.625 1.383 -1.968 586 1HB MET 74 HB2 MET 74 -3.745 3.655 -2.525 587 2HB MET 74 HB1 MET 74 -4.679 4.317 -1.186 588 1HG MET 74 HG2 MET 74 -2.379 3.933 -0.452 589 2HG MET 74 HG1 MET 74 -3.447 2.805 0.379 590 1HE MET 74 HE3 MET 74 -0.484 3.411 -1.742 591 2HE MET 74 HE2 MET 74 -0.240 1.989 -2.753 592 3HE MET 74 HE1 MET 74 -1.559 3.098 -3.111 593 H ALA 75 HN ALA 75 -7.102 3.510 -0.593 594 HA ALA 75 HA ALA 75 -6.794 2.810 2.136 595 1HB ALA 75 HB2 ALA 75 -8.263 4.645 1.204 596 2HB ALA 75 HB1 ALA 75 -9.425 3.396 0.755 597 3HB ALA 75 HB3 ALA 75 -9.027 3.659 2.451 598 H PHE 76 HN PHE 76 -8.658 1.231 -0.446 599 HA PHE 76 HA PHE 76 -9.978 -0.699 1.183 600 1HB PHE 76 HB2 PHE 76 -10.551 -0.354 -1.190 601 2HB PHE 76 HB1 PHE 76 -8.964 -0.955 -1.670 602 HD1 PHE 76 HD1 PHE 76 -8.394 -3.322 -1.482 603 HD2 PHE 76 HD2 PHE 76 -12.262 -1.870 -0.308 604 HE1 PHE 76 HE1 PHE 76 -9.253 -5.646 -1.440 605 HE2 PHE 76 HE2 PHE 76 -13.123 -4.196 -0.267 606 HZ PHE 76 HZ PHE 76 -11.618 -6.084 -0.834 607 H VAL 77 HN VAL 77 -6.834 -0.839 -0.500 608 HA VAL 77 HA VAL 77 -6.140 -3.469 0.399 609 HB VAL 77 HB VAL 77 -4.452 -1.092 -0.446 610 1HG1 VAL 77 HG13 VAL 77 -3.665 -3.915 0.280 611 2HG1 VAL 77 HG12 VAL 77 -2.675 -2.915 -0.784 612 3HG1 VAL 77 HG11 VAL 77 -2.982 -2.407 0.878 613 1HG2 VAL 77 HG22 VAL 77 -5.472 -3.584 -1.829 614 2HG2 VAL 77 HG21 VAL 77 -5.733 -1.901 -2.287 615 3HG2 VAL 77 HG23 VAL 77 -4.139 -2.628 -2.476 616 H SER 78 HN SER 78 -5.588 -0.235 1.754 617 HA SER 78 HA SER 78 -3.922 -1.018 3.925 618 1HB SER 78 HB2 SER 78 -4.245 1.332 3.236 619 2HB SER 78 HB1 SER 78 -5.916 1.262 3.789 620 HG SER 78 HG SER 78 -4.937 0.610 5.876 621 H MET 79 HN MET 79 -7.470 -0.713 3.733 622 HA MET 79 HA MET 79 -8.004 -1.273 6.465 623 1HB MET 79 HB2 MET 79 -9.687 -0.421 4.833 624 2HB MET 79 HB1 MET 79 -9.722 -2.019 4.085 625 1HG MET 79 HG2 MET 79 -10.479 -3.030 6.162 626 2HG MET 79 HG1 MET 79 -10.325 -1.490 7.007 627 1HE MET 79 HE3 MET 79 -12.550 -2.221 7.822 628 2HE MET 79 HE2 MET 79 -14.090 -1.967 6.999 629 3HE MET 79 HE1 MET 79 -13.151 -3.423 6.673 630 H VAL 80 HN VAL 80 -7.619 -3.473 3.703 631 HA VAL 80 HA VAL 80 -8.287 -5.860 5.153 632 HB VAL 80 HB VAL 80 -6.605 -5.415 2.669 633 1HG1 VAL 80 HG11 VAL 80 -7.571 -7.976 3.969 634 2HG1 VAL 80 HG13 VAL 80 -7.011 -7.882 2.299 635 3HG1 VAL 80 HG12 VAL 80 -5.904 -7.521 3.620 636 1HG2 VAL 80 HG21 VAL 80 -9.476 -6.240 3.182 637 2HG2 VAL 80 HG23 VAL 80 -8.903 -4.821 2.303 638 3HG2 VAL 80 HG22 VAL 80 -8.691 -6.430 1.617 639 H THR 81 HN THR 81 -5.231 -4.156 4.575 640 HA THR 81 HA THR 81 -3.470 -6.082 5.701 641 HB THR 81 HB THR 81 -3.240 -3.054 5.780 642 HG1 THR 81 HG1 THR 81 -2.240 -4.896 3.877 643 1HG2 THR 81 HG23 THR 81 -1.622 -4.378 7.227 644 2HG2 THR 81 HG22 THR 81 -1.040 -5.136 5.746 645 3HG2 THR 81 HG21 THR 81 -0.867 -3.397 5.974 646 H THR 82 HN THR 82 -5.133 -3.315 7.284 647 HA THR 82 HA THR 82 -4.066 -3.890 9.891 648 HB THR 82 HB THR 82 -5.937 -2.420 10.691 649 HG1 THR 82 HG1 THR 82 -6.565 -1.966 8.003 650 1HG2 THR 82 HG21 THR 82 -3.759 -1.516 9.873 651 2HG2 THR 82 HG23 THR 82 -4.462 -1.367 8.263 652 3HG2 THR 82 HG22 THR 82 -5.103 -0.408 9.596 653 H ALA 83 HN ALA 83 -7.061 -4.853 8.243 654 HA ALA 83 HA ALA 83 -8.299 -6.142 10.466 655 1HB ALA 83 HB1 ALA 83 -9.425 -5.609 8.298 656 2HB ALA 83 HB3 ALA 83 -8.511 -6.916 7.545 657 3HB ALA 83 HB2 ALA 83 -9.677 -7.276 8.819 658 H CYS 84 HN CYS 84 -5.999 -7.350 8.043 659 HA CYS 84 HA CYS 84 -5.983 -10.064 8.412 660 1HB CYS 84 HB2 CYS 84 -3.531 -8.281 8.383 661 2HB CYS 84 HB1 CYS 84 -3.523 -10.019 8.085 662 HG CYS 84 HG CYS 84 -4.431 -9.651 5.798 663 H HIS 85 HN HIS 85 -4.720 -11.517 9.820 664 HA HIS 85 HA HIS 85 -4.848 -10.602 12.644 665 1HB HIS 85 HB2 HIS 85 -4.364 -13.355 11.461 666 2HB HIS 85 HB1 HIS 85 -4.611 -12.999 13.170 667 HD1 HIS 85 HD1 HIS 85 -7.005 -12.179 13.888 668 HD2 HIS 85 HD2 HIS 85 -6.720 -13.379 9.904 669 HE1 HIS 85 HE1 HIS 85 -9.381 -12.427 13.041 670 HE2 HIS 85 HE2 HIS 85 -9.219 -13.161 10.618 671 H GLU 86 HN GLU 86 -2.946 -9.401 12.938 672 HA GLU 86 HA GLU 86 -0.626 -8.991 13.093 673 1HB GLU 86 HB2 GLU 86 -0.830 -11.890 13.973 674 2HB GLU 86 HB1 GLU 86 0.548 -10.832 14.292 675 1HG GLU 86 HG2 GLU 86 -0.916 -9.278 15.520 676 2HG GLU 86 HG1 GLU 86 -2.302 -10.317 15.196 677 H PHE 87 HN PHE 87 1.489 -10.979 12.745 678 HA PHE 87 HA PHE 87 1.605 -10.929 9.795 679 1HB PHE 87 HB2 PHE 87 3.939 -11.601 10.095 680 2HB PHE 87 HB1 PHE 87 3.573 -10.254 11.171 681 HD1 PHE 87 HD1 PHE 87 3.234 -10.636 13.601 682 HD2 PHE 87 HD2 PHE 87 4.416 -13.805 10.955 683 HE1 PHE 87 HE1 PHE 87 3.912 -12.010 15.550 684 HE2 PHE 87 HE2 PHE 87 5.091 -15.183 12.904 685 HZ PHE 87 HZ PHE 87 4.842 -14.284 15.200 686 H PHE 88 HN PHE 88 1.284 -12.736 8.516 687 HA PHE 88 HA PHE 88 0.074 -15.080 9.510 688 1HB PHE 88 HB2 PHE 88 1.464 -14.346 6.964 689 2HB PHE 88 HB1 PHE 88 1.280 -16.070 7.270 690 HD1 PHE 88 HD1 PHE 88 -0.981 -17.056 7.583 691 HD2 PHE 88 HD2 PHE 88 -0.431 -12.958 6.418 692 HE1 PHE 88 HE1 PHE 88 -3.341 -16.955 6.836 693 HE2 PHE 88 HE2 PHE 88 -2.797 -12.854 5.673 694 HZ PHE 88 HZ PHE 88 -4.252 -14.853 5.884 695 H GLU 89 HN GLU 89 0.880 -17.022 10.307 696 HA GLU 89 HA GLU 89 3.500 -16.963 11.492 697 1HB GLU 89 HB2 GLU 89 1.522 -19.219 11.076 698 2HB GLU 89 HB1 GLU 89 3.010 -19.378 12.013 699 1HG GLU 89 HG2 GLU 89 2.283 -17.585 13.520 700 2HG GLU 89 HG1 GLU 89 0.820 -17.353 12.562 701 H HIS 90 HN HIS 90 5.367 -17.267 10.449 702 HA HIS 90 HA HIS 90 5.814 -19.493 8.661 703 1HB HIS 90 HB2 HIS 90 4.576 -17.828 7.181 704 2HB HIS 90 HB1 HIS 90 5.951 -16.744 7.390 705 HD1 HIS 90 HD1 HIS 90 5.826 -20.504 6.733 706 HD2 HIS 90 HD2 HIS 90 7.451 -17.033 5.088 707 HE1 HIS 90 HE1 HIS 90 7.226 -21.238 4.753 708 HE2 HIS 90 HE2 HIS 90 8.224 -19.134 3.747 709 H GLU 91 HN GLU 91 8.124 -19.536 7.982 710 HA GLU 91 HA GLU 91 9.862 -18.559 10.052 711 1HB GLU 91 HB2 GLU 91 11.695 -19.318 8.515 712 2HB GLU 91 HB1 GLU 91 10.466 -20.551 8.796 713 1HG GLU 91 HG2 GLU 91 9.357 -19.928 6.683 714 2HG GLU 91 HG1 GLU 91 10.591 -18.700 6.398 715 1H MET 0 HT3 MET 0 1.696 -17.010 -10.405 716 2H MET 0 HT2 MET 0 3.203 -17.605 -10.913 717 3H MET 0 HT1 MET 0 2.838 -17.517 -9.257 718 HA MET 0 HA MET 0 4.294 -15.720 -9.781 719 1HB MET 0 HB2 MET 0 3.112 -13.976 -11.458 720 2HB MET 0 HB1 MET 0 4.153 -15.268 -12.052 721 1HG MET 0 HG2 MET 0 1.191 -15.713 -11.696 722 2HG MET 0 HG1 MET 0 1.835 -14.989 -13.168 723 1HE MET 0 HE3 MET 0 3.830 -15.853 -14.350 724 2HE MET 0 HE2 MET 0 3.884 -17.528 -14.892 725 3HE MET 0 HE1 MET 0 2.460 -16.547 -15.227 726 H SER 1 HN SER 1 1.122 -14.340 -10.537 727 HA SER 1 HA SER 1 -0.221 -12.911 -9.244 728 1HB SER 1 HB2 SER 1 0.615 -14.708 -6.956 729 2HB SER 1 HB1 SER 1 -0.873 -13.776 -7.102 730 HG SER 1 HG SER 1 -1.243 -15.930 -7.668 731 H GLU 2 HN GLU 2 1.634 -11.326 -9.610 732 HA GLU 2 HA GLU 2 3.629 -10.817 -7.647 733 1HB GLU 2 HB2 GLU 2 2.209 -8.969 -9.582 734 2HB GLU 2 HB1 GLU 2 3.579 -8.467 -8.589 735 1HG GLU 2 HG2 GLU 2 3.667 -10.853 -10.453 736 2HG GLU 2 HG1 GLU 2 4.195 -9.236 -10.922 737 H LEU 3 HN LEU 3 0.258 -9.747 -7.879 738 HA LEU 3 HA LEU 3 0.288 -7.811 -5.800 739 1HB LEU 3 HB2 LEU 3 -1.892 -9.708 -6.693 740 2HB LEU 3 HB1 LEU 3 -2.166 -8.343 -5.616 741 HG LEU 3 HG LEU 3 -0.905 -8.028 -8.354 742 1HD1 LEU 3 HD12 LEU 3 -3.517 -8.891 -8.037 743 2HD1 LEU 3 HD11 LEU 3 -3.720 -7.143 -8.071 744 3HD1 LEU 3 HD13 LEU 3 -2.919 -7.969 -9.402 745 1HD2 LEU 3 HD22 LEU 3 -1.985 -6.149 -6.244 746 2HD2 LEU 3 HD21 LEU 3 -0.456 -6.077 -7.117 747 3HD2 LEU 3 HD23 LEU 3 -1.957 -5.654 -7.932 748 H GLU 4 HN GLU 4 -0.190 -11.353 -5.635 749 HA GLU 4 HA GLU 4 -0.808 -11.382 -2.830 750 1HB GLU 4 HB2 GLU 4 0.324 -13.508 -4.662 751 2HB GLU 4 HB1 GLU 4 -0.109 -13.812 -2.979 752 1HG GLU 4 HG2 GLU 4 -2.420 -13.033 -3.450 753 2HG GLU 4 HG1 GLU 4 -1.980 -12.799 -5.143 754 H LYS 5 HN LYS 5 2.269 -11.656 -4.596 755 HA LYS 5 HA LYS 5 3.850 -12.146 -2.236 756 1HB LYS 5 HB2 LYS 5 4.592 -11.055 -4.960 757 2HB LYS 5 HB1 LYS 5 5.771 -11.367 -3.686 758 1HG LYS 5 HG2 LYS 5 5.072 -13.732 -3.611 759 2HG LYS 5 HG1 LYS 5 3.892 -13.423 -4.888 760 1HD LYS 5 HD2 LYS 5 5.712 -12.742 -6.410 761 2HD LYS 5 HD1 LYS 5 6.893 -13.050 -5.136 762 1HE LYS 5 HE2 LYS 5 6.806 -14.978 -6.625 763 2HE LYS 5 HE1 LYS 5 6.131 -15.425 -5.059 764 1HZ LYS 5 HZ2 LYS 5 3.915 -15.021 -5.955 765 2HZ LYS 5 HZ1 LYS 5 4.584 -14.649 -7.471 766 3HZ LYS 5 HZ3 LYS 5 4.735 -16.217 -6.840 767 H ALA 6 HN ALA 6 2.884 -9.199 -3.957 768 HA ALA 6 HA ALA 6 4.543 -7.373 -2.554 769 1HB ALA 6 HB2 ALA 6 1.772 -6.995 -3.724 770 2HB ALA 6 HB1 ALA 6 2.801 -5.677 -3.161 771 3HB ALA 6 HB3 ALA 6 3.311 -6.672 -4.524 772 H MET 7 HN MET 7 1.244 -8.522 -1.766 773 HA MET 7 HA MET 7 0.895 -6.912 0.557 774 1HB MET 7 HB2 MET 7 -0.936 -8.203 -0.494 775 2HB MET 7 HB1 MET 7 -0.159 -9.706 -0.002 776 1HG MET 7 HG2 MET 7 -1.930 -9.154 1.580 777 2HG MET 7 HG1 MET 7 -0.374 -8.997 2.385 778 1HE MET 7 HE3 MET 7 -3.187 -7.877 3.215 779 2HE MET 7 HE2 MET 7 -3.489 -6.164 2.935 780 3HE MET 7 HE1 MET 7 -3.710 -7.315 1.620 781 H VAL 8 HN VAL 8 2.257 -10.191 0.199 782 HA VAL 8 HA VAL 8 2.836 -10.510 3.001 783 HB VAL 8 HB VAL 8 4.061 -11.849 0.570 784 1HG1 VAL 8 HG13 VAL 8 4.336 -12.356 3.539 785 2HG1 VAL 8 HG12 VAL 8 4.630 -13.622 2.349 786 3HG1 VAL 8 HG11 VAL 8 5.620 -12.163 2.342 787 1HG2 VAL 8 HG21 VAL 8 1.792 -12.548 2.452 788 2HG2 VAL 8 HG23 VAL 8 1.729 -12.369 0.700 789 3HG2 VAL 8 HG22 VAL 8 2.566 -13.747 1.414 790 H ALA 9 HN ALA 9 4.709 -9.260 0.263 791 HA ALA 9 HA ALA 9 7.240 -9.078 1.492 792 1HB ALA 9 HB3 ALA 9 6.709 -8.575 -0.923 793 2HB ALA 9 HB2 ALA 9 6.057 -7.025 -0.395 794 3HB ALA 9 HB1 ALA 9 7.766 -7.388 -0.155 795 H LEU 10 HN LEU 10 4.637 -6.601 1.461 796 HA LEU 10 HA LEU 10 6.069 -4.708 3.032 797 1HB LEU 10 HB2 LEU 10 3.158 -5.189 2.456 798 2HB LEU 10 HB1 LEU 10 3.581 -4.043 3.726 799 HG LEU 10 HG LEU 10 5.093 -2.889 2.038 800 1HD1 LEU 10 HD13 LEU 10 5.275 -4.794 0.460 801 2HD1 LEU 10 HD12 LEU 10 3.555 -4.639 0.098 802 3HD1 LEU 10 HD11 LEU 10 4.667 -3.344 -0.336 803 1HD2 LEU 10 HD23 LEU 10 2.101 -3.070 1.652 804 2HD2 LEU 10 HD22 LEU 10 3.018 -1.838 2.517 805 3HD2 LEU 10 HD21 LEU 10 3.089 -1.915 0.759 806 H ILE 11 HN ILE 11 3.819 -7.301 4.089 807 HA ILE 11 HA ILE 11 4.092 -6.655 6.884 808 HB ILE 11 HB ILE 11 3.400 -9.308 5.583 809 1HG1 ILE 11 HG12 ILE 11 1.830 -7.568 4.902 810 2HG1 ILE 11 HG11 ILE 11 1.046 -8.628 6.068 811 1HG2 ILE 11 HG23 ILE 11 3.290 -8.308 8.424 812 2HG2 ILE 11 HG22 ILE 11 2.184 -9.567 7.873 813 3HG2 ILE 11 HG21 ILE 11 3.925 -9.836 7.808 814 1HD1 ILE 11 HD13 ILE 11 1.919 -6.843 7.822 815 2HD1 ILE 11 HD12 ILE 11 1.971 -5.793 6.406 816 3HD1 ILE 11 HD11 ILE 11 0.451 -6.537 6.897 817 H ASP 12 HN ASP 12 5.788 -8.963 4.773 818 HA ASP 12 HA ASP 12 7.371 -10.181 6.787 819 1HB ASP 12 HB2 ASP 12 7.199 -11.068 4.501 820 2HB ASP 12 HB1 ASP 12 8.073 -9.666 3.885 821 H VAL 13 HN VAL 13 8.186 -7.378 4.691 822 HA VAL 13 HA VAL 13 10.738 -6.945 5.960 823 HB VAL 13 HB VAL 13 8.997 -5.012 4.397 824 1HG1 VAL 13 HG12 VAL 13 11.897 -4.924 5.265 825 2HG1 VAL 13 HG11 VAL 13 11.230 -3.885 4.006 826 3HG1 VAL 13 HG13 VAL 13 10.626 -3.765 5.655 827 1HG2 VAL 13 HG23 VAL 13 9.686 -7.119 3.201 828 2HG2 VAL 13 HG22 VAL 13 10.349 -5.649 2.485 829 3HG2 VAL 13 HG21 VAL 13 11.368 -6.678 3.490 830 H PHE 14 HN PHE 14 7.518 -5.523 6.470 831 HA PHE 14 HA PHE 14 8.272 -3.516 8.334 832 1HB PHE 14 HB2 PHE 14 5.997 -3.905 7.200 833 2HB PHE 14 HB1 PHE 14 5.690 -5.092 8.464 834 HD1 PHE 14 HD2 PHE 14 5.650 -4.354 10.878 835 HD2 PHE 14 HD1 PHE 14 5.884 -1.565 7.619 836 HE1 PHE 14 HE2 PHE 14 4.938 -2.516 12.386 837 HE2 PHE 14 HE1 PHE 14 5.171 0.264 9.131 838 HZ PHE 14 HZ PHE 14 4.700 -0.211 11.516 839 H HIS 15 HN HIS 15 7.298 -6.908 8.883 840 HA HIS 15 HA HIS 15 7.457 -6.816 11.736 841 1HB HIS 15 HB2 HIS 15 6.286 -8.598 10.518 842 2HB HIS 15 HB1 HIS 15 7.820 -9.163 9.858 843 HD1 HIS 15 HD1 HIS 15 8.134 -11.360 11.053 844 HD2 HIS 15 HD2 HIS 15 7.168 -8.269 13.682 845 HE1 HIS 15 HE1 HIS 15 8.368 -12.308 13.391 846 HE2 HIS 15 HE2 HIS 15 7.781 -10.435 15.000 847 H GLN 16 HN GLN 16 9.907 -7.727 9.294 848 HA GLN 16 HA GLN 16 11.849 -8.627 11.182 849 1HB GLN 16 HB2 GLN 16 11.813 -8.959 8.634 850 2HB GLN 16 HB1 GLN 16 12.519 -7.347 8.528 851 1HG GLN 16 HG2 GLN 16 13.732 -9.552 10.217 852 2HG GLN 16 HG1 GLN 16 14.183 -9.279 8.536 853 1HE2 GLN 16 HE22 GLN 16 15.922 -7.037 11.325 854 2HE2 GLN 16 HE21 GLN 16 15.118 -8.498 11.642 855 H TYR 17 HN TYR 17 11.640 -5.429 9.542 856 HA TYR 17 HA TYR 17 13.800 -4.333 11.120 857 1HB TYR 17 HB2 TYR 17 11.672 -3.106 9.365 858 2HB TYR 17 HB1 TYR 17 12.786 -2.096 10.285 859 HD1 TYR 17 HD2 TYR 17 15.196 -2.122 9.823 860 HD2 TYR 17 HD1 TYR 17 12.449 -4.460 7.493 861 HE1 TYR 17 HE2 TYR 17 16.946 -2.455 8.101 862 HE2 TYR 17 HE1 TYR 17 14.202 -4.795 5.767 863 HH TYR 17 HH TYR 17 16.528 -4.695 5.467 864 H SER 18 HN SER 18 10.265 -4.234 11.444 865 HA SER 18 HA SER 18 10.261 -2.412 13.667 866 1HB SER 18 HB2 SER 18 7.950 -3.030 13.943 867 2HB SER 18 HB1 SER 18 8.280 -2.969 12.216 868 HG SER 18 HG SER 18 7.754 -5.135 13.877 869 H GLY 19 HN GLY 19 10.518 -5.934 13.448 870 1HA GLY 19 HA2 GLY 19 10.141 -6.425 16.264 871 2HA GLY 19 HA1 GLY 19 10.881 -7.546 15.122 872 H ARG 20 HN ARG 20 12.292 -4.401 15.243 873 HA ARG 20 HA ARG 20 14.862 -5.387 15.953 874 1HB ARG 20 HB2 ARG 20 14.318 -3.172 14.816 875 2HB ARG 20 HB1 ARG 20 13.898 -2.557 16.413 876 1HG ARG 20 HG2 ARG 20 16.139 -1.938 16.345 877 2HG ARG 20 HG1 ARG 20 16.302 -3.541 17.056 878 1HD ARG 20 HD2 ARG 20 17.897 -3.467 15.284 879 2HD ARG 20 HD1 ARG 20 16.550 -4.415 14.652 880 HE ARG 20 HE ARG 20 15.952 -1.820 13.882 881 1HH1 ARG 20 HH21 ARG 20 18.633 -3.973 13.585 882 2HH1 ARG 20 HH22 ARG 20 19.179 -3.295 12.088 883 1HH2 ARG 20 HH11 ARG 20 16.652 -0.928 11.927 884 2HH2 ARG 20 HH12 ARG 20 18.059 -1.572 11.149 885 H GLU 21 HN GLU 21 12.304 -3.919 17.975 886 HA GLU 21 HA GLU 21 13.643 -5.093 20.358 887 1HB GLU 21 HB2 GLU 21 14.374 -2.650 19.988 888 2HB GLU 21 HB1 GLU 21 12.714 -2.216 20.393 889 1HG GLU 21 HG2 GLU 21 12.939 -3.435 22.546 890 2HG GLU 21 HG1 GLU 21 14.618 -3.798 22.143 891 H GLY 22 HN GLY 22 11.421 -6.253 19.447 892 1HA GLY 22 HA2 GLY 22 9.240 -6.853 20.077 893 2HA GLY 22 HA1 GLY 22 9.540 -5.966 21.571 894 H ASP 23 HN ASP 23 10.117 -3.731 19.259 895 HA ASP 23 HA ASP 23 7.476 -2.496 19.639 896 1HB ASP 23 HB2 ASP 23 10.043 -1.604 18.309 897 2HB ASP 23 HB1 ASP 23 8.568 -0.639 18.246 898 H LYS 24 HN LYS 24 6.709 -4.559 18.331 899 HA LYS 24 HA LYS 24 7.073 -4.554 15.475 900 1HB LYS 24 HB2 LYS 24 4.977 -5.807 17.256 901 2HB LYS 24 HB1 LYS 24 5.037 -6.062 15.513 902 1HG LYS 24 HG2 LYS 24 7.416 -6.854 15.793 903 2HG LYS 24 HG1 LYS 24 7.169 -6.788 17.538 904 1HD LYS 24 HD2 LYS 24 5.474 -8.415 15.618 905 2HD LYS 24 HD1 LYS 24 6.779 -9.071 16.605 906 1HE LYS 24 HE2 LYS 24 5.493 -8.026 18.613 907 2HE LYS 24 HE1 LYS 24 4.126 -7.953 17.501 908 1HZ LYS 24 HZ2 LYS 24 5.649 -10.451 17.787 909 2HZ LYS 24 HZ1 LYS 24 4.474 -10.041 18.945 910 3HZ LYS 24 HZ3 LYS 24 4.032 -10.225 17.318 911 H HIS 25 HN HIS 25 4.598 -3.170 17.617 912 HA HIS 25 HA HIS 25 3.041 -2.196 15.308 913 1HB HIS 25 HB2 HIS 25 1.958 -3.088 17.385 914 2HB HIS 25 HB1 HIS 25 2.597 -1.696 18.259 915 HD1 HIS 25 HD1 HIS 25 1.113 0.308 18.294 916 HD2 HIS 25 HD2 HIS 25 0.271 -2.165 15.041 917 HE1 HIS 25 HE1 HIS 25 -0.894 1.320 17.124 918 HE2 HIS 25 HE2 HIS 25 -1.414 -0.176 15.142 919 H LYS 26 HN LYS 26 5.791 -1.026 16.777 920 HA LYS 26 HA LYS 26 5.019 1.792 16.081 921 1HB LYS 26 HB2 LYS 26 6.403 0.835 18.593 922 2HB LYS 26 HB1 LYS 26 6.376 2.524 18.079 923 1HG LYS 26 HG2 LYS 26 3.905 2.487 18.096 924 2HG LYS 26 HG1 LYS 26 3.939 0.802 18.617 925 1HD LYS 26 HD2 LYS 26 5.152 1.450 20.662 926 2HD LYS 26 HD1 LYS 26 5.124 3.135 20.145 927 1HE LYS 26 HE2 LYS 26 2.560 2.869 20.025 928 2HE LYS 26 HE1 LYS 26 2.799 1.394 20.961 929 1HZ LYS 26 HZ3 LYS 26 4.186 3.743 21.941 930 2HZ LYS 26 HZ2 LYS 26 2.492 3.797 22.053 931 3HZ LYS 26 HZ1 LYS 26 3.356 2.536 22.794 932 H LEU 27 HN LEU 27 6.621 3.034 15.200 933 HA LEU 27 HA LEU 27 9.267 1.720 14.648 934 1HB LEU 27 HB2 LEU 27 7.573 3.559 12.931 935 2HB LEU 27 HB1 LEU 27 9.244 3.152 12.555 936 HG LEU 27 HG LEU 27 7.255 0.935 13.040 937 1HD1 LEU 27 HD13 LEU 27 7.539 2.639 10.559 938 2HD1 LEU 27 HD12 LEU 27 6.977 0.972 10.469 939 3HD1 LEU 27 HD11 LEU 27 6.063 2.159 11.396 940 1HD2 LEU 27 HD22 LEU 27 9.729 1.243 11.297 941 2HD2 LEU 27 HD21 LEU 27 9.636 0.352 12.815 942 3HD2 LEU 27 HD23 LEU 27 8.750 -0.218 11.400 943 H LYS 28 HN LYS 28 11.093 3.028 15.007 944 HA LYS 28 HA LYS 28 10.561 5.623 16.387 945 1HB LYS 28 HB2 LYS 28 13.019 3.853 16.248 946 2HB LYS 28 HB1 LYS 28 12.998 5.437 17.022 947 1HG LYS 28 HG2 LYS 28 11.200 4.688 18.532 948 2HG LYS 28 HG1 LYS 28 11.216 3.098 17.763 949 1HD LYS 28 HD2 LYS 28 13.569 2.792 18.434 950 2HD LYS 28 HD1 LYS 28 13.564 4.381 19.196 951 1HE LYS 28 HE2 LYS 28 13.056 3.122 21.065 952 2HE LYS 28 HE1 LYS 28 11.413 3.292 20.447 953 1HZ LYS 28 HZ1 LYS 28 13.062 1.097 19.424 954 2HZ LYS 28 HZ3 LYS 28 12.434 0.956 20.994 955 3HZ LYS 28 HZ2 LYS 28 11.383 1.166 19.676 956 H LYS 29 HN LYS 29 12.151 7.405 15.904 957 HA LYS 29 HA LYS 29 12.107 8.097 13.145 958 1HB LYS 29 HB2 LYS 29 13.778 9.879 13.834 959 2HB LYS 29 HB1 LYS 29 12.296 9.852 14.789 960 1HG LYS 29 HG2 LYS 29 13.454 8.527 16.536 961 2HG LYS 29 HG1 LYS 29 14.932 8.573 15.580 962 1HD LYS 29 HD2 LYS 29 14.963 11.031 15.712 963 2HD LYS 29 HD1 LYS 29 13.487 10.998 16.675 964 1HE LYS 29 HE2 LYS 29 15.773 9.330 17.658 965 2HE LYS 29 HE1 LYS 29 15.921 11.081 17.821 966 1HZ LYS 29 HZ3 LYS 29 13.326 10.296 18.563 967 2HZ LYS 29 HZ2 LYS 29 14.449 9.346 19.412 968 3HZ LYS 29 HZ1 LYS 29 14.520 11.040 19.508 969 H SER 30 HN SER 30 14.669 6.663 15.147 970 HA SER 30 HA SER 30 16.742 6.760 13.194 971 1HB SER 30 HB2 SER 30 17.050 6.192 15.617 972 2HB SER 30 HB1 SER 30 16.306 4.627 15.302 973 HG SER 30 HG SER 30 18.089 3.985 14.383 974 H GLU 31 HN GLU 31 14.207 4.349 13.821 975 HA GLU 31 HA GLU 31 15.117 2.380 11.981 976 1HB GLU 31 HB2 GLU 31 12.348 3.106 12.956 977 2HB GLU 31 HB1 GLU 31 12.651 1.725 11.902 978 1HG GLU 31 HG2 GLU 31 14.294 0.871 13.593 979 2HG GLU 31 HG1 GLU 31 13.817 2.193 14.661 980 H LEU 32 HN LEU 32 13.045 5.236 11.496 981 HA LEU 32 HA LEU 32 12.387 4.651 8.773 982 1HB LEU 32 HB2 LEU 32 12.567 7.290 10.250 983 2HB LEU 32 HB1 LEU 32 11.932 7.130 8.616 984 HG LEU 32 HG LEU 32 10.838 5.613 11.007 985 1HD1 LEU 32 HD11 LEU 32 10.020 8.243 9.756 986 2HD1 LEU 32 HD13 LEU 32 8.915 7.279 10.736 987 3HD1 LEU 32 HD12 LEU 32 10.398 7.915 11.449 988 1HD2 LEU 32 HD23 LEU 32 10.046 5.883 8.104 989 2HD2 LEU 32 HD22 LEU 32 10.124 4.431 9.103 990 3HD2 LEU 32 HD21 LEU 32 8.806 5.575 9.322 991 H LYS 33 HN LYS 33 15.100 6.454 10.215 992 HA LYS 33 HA LYS 33 16.171 7.449 7.780 993 1HB LYS 33 HB2 LYS 33 16.911 8.121 10.075 994 2HB LYS 33 HB1 LYS 33 17.739 6.574 10.221 995 1HG LYS 33 HG2 LYS 33 18.459 7.933 7.707 996 2HG LYS 33 HG1 LYS 33 18.809 8.947 9.100 997 1HD LYS 33 HD2 LYS 33 19.667 6.051 9.042 998 2HD LYS 33 HD1 LYS 33 20.646 7.308 8.290 999 1HE LYS 33 HE2 LYS 33 20.809 8.509 10.404 1000 2HE LYS 33 HE1 LYS 33 19.725 7.355 11.180 1001 1HZ LYS 33 HZ2 LYS 33 21.916 6.068 9.879 1002 2HZ LYS 33 HZ1 LYS 33 22.447 7.180 11.052 1003 3HZ LYS 33 HZ3 LYS 33 21.384 5.934 11.487 1004 H GLU 34 HN GLU 34 16.985 4.427 9.511 1005 HA GLU 34 HA GLU 34 18.795 3.510 7.458 1006 1HB GLU 34 HB2 GLU 34 17.322 2.044 9.669 1007 2HB GLU 34 HB1 GLU 34 18.527 1.290 8.624 1008 1HG GLU 34 HG2 GLU 34 20.214 2.919 9.360 1009 2HG GLU 34 HG1 GLU 34 19.016 3.715 10.380 1010 H LEU 35 HN LEU 35 15.362 2.974 8.127 1011 HA LEU 35 HA LEU 35 14.885 0.913 6.255 1012 1HB LEU 35 HB2 LEU 35 13.264 1.598 7.977 1013 2HB LEU 35 HB1 LEU 35 13.029 3.131 7.146 1014 HG LEU 35 HG LEU 35 12.178 1.921 5.158 1015 1HD1 LEU 35 HD12 LEU 35 12.864 -0.462 6.870 1016 2HD1 LEU 35 HD11 LEU 35 11.548 -0.573 5.700 1017 3HD1 LEU 35 HD13 LEU 35 13.180 -0.197 5.154 1018 1HD2 LEU 35 HD22 LEU 35 10.862 1.334 7.819 1019 2HD2 LEU 35 HD21 LEU 35 10.528 2.679 6.729 1020 3HD2 LEU 35 HD23 LEU 35 10.077 1.039 6.268 1021 H ILE 36 HN ILE 36 14.513 4.472 5.746 1022 HA ILE 36 HA ILE 36 13.647 4.248 3.044 1023 HB ILE 36 HB ILE 36 14.819 6.433 4.720 1024 1HG1 ILE 36 HG12 ILE 36 12.783 7.602 4.025 1025 2HG1 ILE 36 HG11 ILE 36 12.427 6.340 2.851 1026 1HG2 ILE 36 HG23 ILE 36 14.725 6.515 1.692 1027 2HG2 ILE 36 HG22 ILE 36 14.739 7.971 2.687 1028 3HG2 ILE 36 HG21 ILE 36 16.106 6.860 2.738 1029 1HD1 ILE 36 HD12 ILE 36 12.703 5.738 5.792 1030 2HD1 ILE 36 HD11 ILE 36 11.171 6.225 5.087 1031 3HD1 ILE 36 HD13 ILE 36 11.956 4.743 4.549 1032 H ASN 37 HN ASN 37 16.960 4.444 4.342 1033 HA ASN 37 HA ASN 37 18.260 4.658 1.816 1034 1HB ASN 37 HB2 ASN 37 19.158 3.448 4.440 1035 2HB ASN 37 HB1 ASN 37 20.216 3.566 3.032 1036 1HD2 ASN 37 HD22 ASN 37 19.516 6.861 5.272 1037 2HD2 ASN 37 HD21 ASN 37 18.897 5.341 5.703 1038 H ASN 38 HN ASN 38 17.116 1.832 3.614 1039 HA ASN 38 HA ASN 38 18.326 -0.188 2.049 1040 1HB ASN 38 HB2 ASN 38 15.729 -0.149 3.593 1041 2HB ASN 38 HB1 ASN 38 16.397 -1.609 2.859 1042 1HD2 ASN 38 HD22 ASN 38 19.426 -1.229 5.040 1043 2HD2 ASN 38 HD21 ASN 38 19.166 -1.203 3.363 1044 H GLU 39 HN GLU 39 15.144 1.427 1.487 1045 HA GLU 39 HA GLU 39 14.967 -0.111 -1.091 1046 1HB GLU 39 HB2 GLU 39 12.521 1.337 -0.579 1047 2HB GLU 39 HB1 GLU 39 12.767 -0.403 -0.613 1048 1HG GLU 39 HG2 GLU 39 11.882 0.117 1.542 1049 2HG GLU 39 HG1 GLU 39 13.597 -0.206 1.796 1050 H LEU 40 HN LEU 40 13.669 3.090 -0.133 1051 HA LEU 40 HA LEU 40 14.312 4.085 -2.824 1052 1HB LEU 40 HB2 LEU 40 13.173 5.628 -0.473 1053 2HB LEU 40 HB1 LEU 40 13.136 6.094 -2.170 1054 HG LEU 40 HG LEU 40 11.934 3.602 -2.287 1055 1HD1 LEU 40 HD11 LEU 40 11.958 3.494 0.223 1056 2HD1 LEU 40 HD13 LEU 40 10.922 4.924 0.252 1057 3HD1 LEU 40 HD12 LEU 40 10.337 3.423 -0.465 1058 1HD2 LEU 40 HD23 LEU 40 10.744 6.362 -1.915 1059 2HD2 LEU 40 HD22 LEU 40 10.978 5.474 -3.418 1060 3HD2 LEU 40 HD21 LEU 40 9.746 4.948 -2.271 1061 H SER 41 HN SER 41 16.672 3.928 -2.618 1062 HA SER 41 HA SER 41 17.911 5.980 -0.824 1063 1HB SER 41 HB2 SER 41 19.835 4.695 -0.856 1064 2HB SER 41 HB1 SER 41 18.673 3.416 -1.198 1065 HG SER 41 HG SER 41 20.132 3.247 -2.802 1066 H HIS 42 HN HIS 42 18.087 4.783 -4.174 1067 HA HIS 42 HA HIS 42 19.523 7.079 -5.158 1068 1HB HIS 42 HB2 HIS 42 17.945 4.897 -6.543 1069 2HB HIS 42 HB1 HIS 42 18.863 6.131 -7.410 1070 HD1 HIS 42 HD1 HIS 42 21.489 6.175 -6.984 1071 HD2 HIS 42 HD2 HIS 42 19.519 2.858 -5.397 1072 HE1 HIS 42 HE1 HIS 42 23.288 4.504 -6.357 1073 HE2 HIS 42 HE2 HIS 42 22.100 2.482 -5.390 1074 H PHE 43 HN PHE 43 16.082 6.244 -4.995 1075 HA PHE 43 HA PHE 43 15.080 8.292 -6.691 1076 1HB PHE 43 HB2 PHE 43 13.933 6.878 -4.275 1077 2HB PHE 43 HB1 PHE 43 13.006 8.084 -5.168 1078 HD1 PHE 43 HD1 PHE 43 14.551 4.744 -5.300 1079 HD2 PHE 43 HD2 PHE 43 12.244 7.666 -7.444 1080 HE1 PHE 43 HE1 PHE 43 13.946 3.029 -6.987 1081 HE2 PHE 43 HE2 PHE 43 11.646 5.953 -9.134 1082 HZ PHE 43 HZ PHE 43 12.497 3.634 -8.906 1083 H LEU 44 HN LEU 44 15.898 8.351 -3.228 1084 HA LEU 44 HA LEU 44 15.251 11.266 -3.122 1085 1HB LEU 44 HB2 LEU 44 15.708 9.134 -1.034 1086 2HB LEU 44 HB1 LEU 44 15.788 10.843 -0.610 1087 HG LEU 44 HG LEU 44 13.512 11.203 -1.358 1088 1HD1 LEU 44 HD12 LEU 44 13.779 8.383 -2.407 1089 2HD1 LEU 44 HD11 LEU 44 12.196 9.082 -2.073 1090 3HD1 LEU 44 HD13 LEU 44 13.256 9.833 -3.263 1091 1HD2 LEU 44 HD21 LEU 44 13.797 8.689 0.316 1092 2HD2 LEU 44 HD23 LEU 44 13.733 10.347 0.912 1093 3HD2 LEU 44 HD22 LEU 44 12.308 9.622 0.169 1094 H GLU 45 HN GLU 45 17.737 9.702 -4.248 1095 HA GLU 45 HA GLU 45 20.026 10.070 -4.411 1096 1HB GLU 45 HB2 GLU 45 19.113 12.752 -3.353 1097 2HB GLU 45 HB1 GLU 45 20.777 12.431 -3.827 1098 1HG GLU 45 HG2 GLU 45 18.388 12.013 -5.645 1099 2HG GLU 45 HG1 GLU 45 19.387 13.466 -5.649 1100 H GLU 46 HN GLU 46 19.178 8.674 -2.085 1101 HA GLU 46 HA GLU 46 19.918 8.095 0.079 1102 1HB GLU 46 HB2 GLU 46 22.418 9.082 -1.309 1103 2HB GLU 46 HB1 GLU 46 22.455 8.347 0.294 1104 1HG GLU 46 HG2 GLU 46 21.524 6.286 -0.557 1105 2HG GLU 46 HG1 GLU 46 21.227 7.015 -2.135 1106 H ILE 47 HN ILE 47 18.856 9.572 1.475 1107 HA ILE 47 HA ILE 47 19.578 12.313 1.805 1108 HB ILE 47 HB ILE 47 18.312 10.329 3.720 1109 1HG1 ILE 47 HG12 ILE 47 17.077 12.660 2.235 1110 2HG1 ILE 47 HG11 ILE 47 17.121 11.028 1.572 1111 1HG2 ILE 47 HG21 ILE 47 18.866 13.289 3.996 1112 2HG2 ILE 47 HG23 ILE 47 17.560 12.506 4.884 1113 3HG2 ILE 47 HG22 ILE 47 19.228 11.997 5.142 1114 1HD1 ILE 47 HD13 ILE 47 16.005 11.583 4.322 1115 2HD1 ILE 47 HD12 ILE 47 15.003 11.703 2.875 1116 3HD1 ILE 47 HD11 ILE 47 15.752 10.167 3.303 1117 H LYS 48 HN LYS 48 21.500 13.094 2.542 1118 HA LYS 48 HA LYS 48 23.224 11.326 4.221 1119 1HB LYS 48 HB2 LYS 48 24.925 13.268 3.617 1120 2HB LYS 48 HB1 LYS 48 24.548 12.013 2.440 1121 1HG LYS 48 HG2 LYS 48 24.452 14.239 1.395 1122 2HG LYS 48 HG1 LYS 48 22.853 13.497 1.401 1123 1HD LYS 48 HD2 LYS 48 22.116 14.853 3.202 1124 2HD LYS 48 HD1 LYS 48 23.763 15.332 3.608 1125 1HE LYS 48 HE2 LYS 48 23.942 16.658 1.600 1126 2HE LYS 48 HE1 LYS 48 22.395 16.054 1.008 1127 1HZ LYS 48 HZ3 LYS 48 21.324 17.071 2.941 1128 2HZ LYS 48 HZ2 LYS 48 22.820 17.703 3.443 1129 3HZ LYS 48 HZ1 LYS 48 22.119 18.225 1.986 1130 H GLU 49 HN GLU 49 21.031 13.831 4.671 1131 HA GLU 49 HA GLU 49 22.480 14.836 7.110 1132 1HB GLU 49 HB2 GLU 49 20.601 16.131 5.167 1133 2HB GLU 49 HB1 GLU 49 20.466 16.625 6.850 1134 1HG GLU 49 HG2 GLU 49 23.079 16.616 5.326 1135 2HG GLU 49 HG1 GLU 49 22.050 18.031 5.478 1136 H GLN 50 HN GLN 50 21.615 14.354 9.064 1137 HA GLN 50 HA GLN 50 19.374 12.541 9.265 1138 1HB GLN 50 HB2 GLN 50 20.826 14.145 11.394 1139 2HB GLN 50 HB1 GLN 50 19.635 12.888 11.725 1140 1HG GLN 50 HG2 GLN 50 21.661 11.712 11.881 1141 2HG GLN 50 HG1 GLN 50 21.155 11.375 10.225 1142 1HE2 GLN 50 HE22 GLN 50 23.934 13.013 8.792 1143 2HE2 GLN 50 HE21 GLN 50 22.533 12.089 8.538 1144 H GLU 51 HN GLU 51 19.759 16.030 9.759 1145 HA GLU 51 HA GLU 51 17.247 16.527 10.983 1146 1HB GLU 51 HB2 GLU 51 17.503 18.846 9.991 1147 2HB GLU 51 HB1 GLU 51 18.880 18.288 10.944 1148 1HG GLU 51 HG2 GLU 51 20.059 17.633 8.910 1149 2HG GLU 51 HG1 GLU 51 18.674 18.098 7.923 1150 H VAL 52 HN VAL 52 18.086 16.074 7.570 1151 HA VAL 52 HA VAL 52 15.645 17.043 6.458 1152 HB VAL 52 HB VAL 52 17.527 14.850 5.534 1153 1HG1 VAL 52 HG12 VAL 52 15.053 16.017 4.244 1154 2HG1 VAL 52 HG11 VAL 52 16.352 15.313 3.277 1155 3HG1 VAL 52 HG13 VAL 52 15.487 14.319 4.450 1156 1HG2 VAL 52 HG21 VAL 52 18.428 17.163 5.611 1157 2HG2 VAL 52 HG23 VAL 52 18.282 16.574 3.953 1158 3HG2 VAL 52 HG22 VAL 52 17.090 17.703 4.596 1159 H VAL 53 HN VAL 53 16.534 13.854 7.761 1160 HA VAL 53 HA VAL 53 14.088 12.533 7.108 1161 HB VAL 53 HB VAL 53 16.103 12.094 9.334 1162 1HG1 VAL 53 HG12 VAL 53 13.644 10.499 8.581 1163 2HG1 VAL 53 HG11 VAL 53 14.991 9.808 9.486 1164 3HG1 VAL 53 HG13 VAL 53 14.067 11.150 10.164 1165 1HG2 VAL 53 HG21 VAL 53 15.547 10.783 6.658 1166 2HG2 VAL 53 HG23 VAL 53 17.019 11.609 7.165 1167 3HG2 VAL 53 HG22 VAL 53 16.586 10.058 7.883 1168 H ASP 54 HN ASP 54 15.059 14.442 9.949 1169 HA ASP 54 HA ASP 54 12.671 14.013 11.454 1170 1HB ASP 54 HB2 ASP 54 14.711 14.966 12.447 1171 2HB ASP 54 HB1 ASP 54 14.522 16.413 11.457 1172 H LYS 55 HN LYS 55 13.524 16.520 9.067 1173 HA LYS 55 HA LYS 55 11.174 18.098 9.365 1174 1HB LYS 55 HB2 LYS 55 13.349 18.521 7.970 1175 2HB LYS 55 HB1 LYS 55 12.498 17.673 6.684 1176 1HG LYS 55 HG2 LYS 55 11.394 20.090 8.155 1177 2HG LYS 55 HG1 LYS 55 12.221 20.168 6.601 1178 1HD LYS 55 HD2 LYS 55 10.429 18.371 5.872 1179 2HD LYS 55 HD1 LYS 55 9.534 18.985 7.260 1180 1HE LYS 55 HE2 LYS 55 10.361 20.449 4.764 1181 2HE LYS 55 HE1 LYS 55 8.764 20.335 5.501 1182 1HZ LYS 55 HZ3 LYS 55 9.857 21.542 7.459 1183 2HZ LYS 55 HZ2 LYS 55 11.083 21.945 6.355 1184 3HZ LYS 55 HZ1 LYS 55 9.485 22.446 6.072 1185 H VAL 56 HN VAL 56 11.859 15.396 7.135 1186 HA VAL 56 HA VAL 56 9.234 15.337 5.973 1187 HB VAL 56 HB VAL 56 11.401 13.235 6.231 1188 1HG1 VAL 56 HG11 VAL 56 8.682 13.124 4.923 1189 2HG1 VAL 56 HG13 VAL 56 10.026 12.181 4.278 1190 3HG1 VAL 56 HG12 VAL 56 9.475 11.914 5.932 1191 1HG2 VAL 56 HG21 VAL 56 11.782 15.319 4.834 1192 2HG2 VAL 56 HG23 VAL 56 11.885 13.801 3.940 1193 3HG2 VAL 56 HG22 VAL 56 10.436 14.799 3.820 1194 H MET 57 HN MET 57 10.698 13.626 8.720 1195 HA MET 57 HA MET 57 8.484 11.926 9.307 1196 1HB MET 57 HB2 MET 57 10.747 11.676 10.308 1197 2HB MET 57 HB1 MET 57 10.482 13.153 11.233 1198 1HG MET 57 HG2 MET 57 8.564 12.129 12.371 1199 2HG MET 57 HG1 MET 57 8.756 10.664 11.409 1200 1HE MET 57 HE3 MET 57 8.430 9.784 13.655 1201 2HE MET 57 HE2 MET 57 9.760 9.270 14.690 1202 3HE MET 57 HE1 MET 57 9.007 10.844 14.949 1203 H GLU 58 HN GLU 58 9.255 15.229 10.324 1204 HA GLU 58 HA GLU 58 7.161 15.566 12.210 1205 1HB GLU 58 HB2 GLU 58 9.057 17.134 11.930 1206 2HB GLU 58 HB1 GLU 58 8.399 17.646 10.378 1207 1HG GLU 58 HG2 GLU 58 6.735 17.786 12.896 1208 2HG GLU 58 HG1 GLU 58 7.856 19.081 12.479 1209 H THR 59 HN THR 59 7.183 16.025 8.680 1210 HA THR 59 HA THR 59 4.609 17.202 8.435 1211 HB THR 59 HB THR 59 6.020 15.333 6.513 1212 HG1 THR 59 HG1 THR 59 5.986 18.158 6.767 1213 1HG2 THR 59 HG22 THR 59 3.721 17.274 6.158 1214 2HG2 THR 59 HG21 THR 59 4.624 16.572 4.815 1215 3HG2 THR 59 HG23 THR 59 3.694 15.531 5.892 1216 H LEU 60 HN LEU 60 5.525 13.737 8.382 1217 HA LEU 60 HA LEU 60 2.824 12.819 7.960 1218 1HB LEU 60 HB2 LEU 60 5.362 11.521 8.927 1219 2HB LEU 60 HB1 LEU 60 3.846 10.628 8.969 1220 HG LEU 60 HG LEU 60 5.237 10.295 6.874 1221 1HD1 LEU 60 HD12 LEU 60 2.591 10.167 7.106 1222 2HD1 LEU 60 HD11 LEU 60 2.645 11.560 6.030 1223 3HD1 LEU 60 HD13 LEU 60 3.365 10.030 5.533 1224 1HD2 LEU 60 HD22 LEU 60 5.933 12.735 6.778 1225 2HD2 LEU 60 HD21 LEU 60 5.379 12.056 5.248 1226 3HD2 LEU 60 HD23 LEU 60 4.312 13.098 6.187 1227 H ASP 61 HN ASP 61 4.762 13.342 10.894 1228 HA ASP 61 HA ASP 61 2.595 12.387 12.617 1229 1HB ASP 61 HB2 ASP 61 5.228 13.765 13.195 1230 2HB ASP 61 HB1 ASP 61 4.082 13.299 14.454 1231 H GLU 62 HN GLU 62 1.330 14.173 11.162 1232 HA GLU 62 HA GLU 62 1.518 16.910 11.923 1233 1HB GLU 62 HB2 GLU 62 0.191 16.086 9.979 1234 2HB GLU 62 HB1 GLU 62 -0.971 15.376 11.100 1235 1HG GLU 62 HG2 GLU 62 -1.483 17.581 12.021 1236 2HG GLU 62 HG1 GLU 62 -0.252 18.322 10.997 1237 H ASP 63 HN ASP 63 -0.001 14.126 13.434 1238 HA ASP 63 HA ASP 63 -1.443 15.709 15.415 1239 1HB ASP 63 HB2 ASP 63 -1.856 13.511 16.493 1240 2HB ASP 63 HB1 ASP 63 -2.255 13.483 14.776 1241 H GLY 64 HN GLY 64 1.798 14.805 14.985 1242 1HA GLY 64 HA2 GLY 64 3.671 15.164 16.350 1243 2HA GLY 64 HA1 GLY 64 2.608 16.019 17.464 1244 H ASP 65 HN ASP 65 2.010 12.686 16.517 1245 HA ASP 65 HA ASP 65 1.842 11.808 19.236 1246 1HB ASP 65 HB2 ASP 65 2.168 10.264 16.649 1247 2HB ASP 65 HB1 ASP 65 1.919 9.492 18.217 1248 H GLY 66 HN GLY 66 4.472 11.744 16.865 1249 1HA GLY 66 HA2 GLY 66 6.799 11.836 17.487 1250 2HA GLY 66 HA1 GLY 66 6.380 11.222 19.086 1251 H GLU 67 HN GLU 67 4.615 9.290 17.198 1252 HA GLU 67 HA GLU 67 6.839 7.402 16.520 1253 1HB GLU 67 HB2 GLU 67 4.341 6.803 18.133 1254 2HB GLU 67 HB1 GLU 67 5.375 5.555 17.437 1255 1HG GLU 67 HG2 GLU 67 6.387 7.716 19.300 1256 2HG GLU 67 HG1 GLU 67 5.900 6.111 19.845 1257 H CYS 68 HN CYS 68 6.386 6.037 14.745 1258 HA CYS 68 HA CYS 68 4.070 6.929 13.085 1259 1HB CYS 68 HB2 CYS 68 6.757 5.743 12.513 1260 2HB CYS 68 HB1 CYS 68 5.458 5.419 11.365 1261 HG CYS 68 HG CYS 68 5.403 8.339 11.878 1262 H ASP 69 HN ASP 69 2.292 5.684 13.132 1263 HA ASP 69 HA ASP 69 2.462 2.869 14.026 1264 1HB ASP 69 HB2 ASP 69 -0.082 3.039 13.811 1265 2HB ASP 69 HB1 ASP 69 0.667 4.080 15.022 1266 H PHE 70 HN PHE 70 0.750 1.429 12.718 1267 HA PHE 70 HA PHE 70 1.892 0.920 10.167 1268 1HB PHE 70 HB2 PHE 70 -0.165 -0.206 11.857 1269 2HB PHE 70 HB1 PHE 70 -0.792 -0.133 10.217 1270 HD1 PHE 70 HD1 PHE 70 0.346 -1.336 8.381 1271 HD2 PHE 70 HD2 PHE 70 1.673 -1.672 12.453 1272 HE1 PHE 70 HE1 PHE 70 1.651 -3.351 7.786 1273 HE2 PHE 70 HE2 PHE 70 2.983 -3.691 11.855 1274 HZ PHE 70 HZ PHE 70 2.973 -4.533 9.523 1275 H GLN 71 HN GLN 71 -1.161 2.612 11.004 1276 HA GLN 71 HA GLN 71 -1.996 3.051 8.319 1277 1HB GLN 71 HB2 GLN 71 -3.430 3.469 10.320 1278 2HB GLN 71 HB1 GLN 71 -2.442 4.874 10.705 1279 1HG GLN 71 HG2 GLN 71 -4.442 5.594 9.503 1280 2HG GLN 71 HG1 GLN 71 -3.024 5.858 8.490 1281 1HE2 GLN 71 HE22 GLN 71 -4.367 3.895 5.907 1282 2HE2 GLN 71 HE21 GLN 71 -3.383 5.198 6.373 1283 H GLU 72 HN GLU 72 -0.007 5.106 10.473 1284 HA GLU 72 HA GLU 72 0.420 7.172 8.550 1285 1HB GLU 72 HB2 GLU 72 2.052 6.259 10.927 1286 2HB GLU 72 HB1 GLU 72 2.511 7.647 9.938 1287 1HG GLU 72 HG2 GLU 72 0.296 8.674 10.375 1288 2HG GLU 72 HG1 GLU 72 -0.124 7.304 11.404 1289 H PHE 73 HN PHE 73 2.184 4.153 9.198 1290 HA PHE 73 HA PHE 73 4.352 4.623 7.412 1291 1HB PHE 73 HB2 PHE 73 4.430 2.761 8.967 1292 2HB PHE 73 HB1 PHE 73 3.006 2.030 8.231 1293 HD1 PHE 73 HD1 PHE 73 6.364 3.359 7.182 1294 HD2 PHE 73 HD2 PHE 73 3.381 0.302 6.698 1295 HE1 PHE 73 HE1 PHE 73 7.823 2.188 5.552 1296 HE2 PHE 73 HE2 PHE 73 4.840 -0.863 5.068 1297 HZ PHE 73 HZ PHE 73 7.062 0.080 4.494 1298 H MET 74 HN MET 74 1.234 2.963 6.833 1299 HA MET 74 HA MET 74 1.654 2.475 4.060 1300 1HB MET 74 HB2 MET 74 -0.183 1.442 5.402 1301 2HB MET 74 HB1 MET 74 -0.989 3.008 5.453 1302 1HG MET 74 HG2 MET 74 -1.955 1.676 3.650 1303 2HG MET 74 HG1 MET 74 -1.052 3.017 2.952 1304 1HE MET 74 HE2 MET 74 -1.691 -0.614 3.162 1305 2HE MET 74 HE1 MET 74 -0.184 -1.453 2.803 1306 3HE MET 74 HE3 MET 74 -0.395 -0.630 4.354 1307 H ALA 75 HN ALA 75 0.295 5.278 5.764 1308 HA ALA 75 HA ALA 75 -0.611 6.719 3.492 1309 1HB ALA 75 HB3 ALA 75 -1.119 7.361 5.838 1310 2HB ALA 75 HB2 ALA 75 0.563 7.849 6.049 1311 3HB ALA 75 HB1 ALA 75 -0.470 8.712 4.909 1312 H PHE 76 HN PHE 76 2.607 6.569 4.992 1313 HA PHE 76 HA PHE 76 3.821 8.626 3.437 1314 1HB PHE 76 HB2 PHE 76 4.947 7.597 5.367 1315 2HB PHE 76 HB1 PHE 76 5.026 6.053 4.521 1316 HD1 PHE 76 HD1 PHE 76 6.545 5.716 2.640 1317 HD2 PHE 76 HD2 PHE 76 6.371 9.477 4.709 1318 HE1 PHE 76 HE1 PHE 76 8.670 6.406 1.564 1319 HE2 PHE 76 HE2 PHE 76 8.496 10.169 3.631 1320 HZ PHE 76 HZ PHE 76 9.645 8.632 2.058 1321 H VAL 77 HN VAL 77 3.520 5.122 2.847 1322 HA VAL 77 HA VAL 77 4.851 5.130 0.314 1323 HB VAL 77 HB VAL 77 2.752 3.296 1.506 1324 1HG1 VAL 77 HG12 VAL 77 4.278 3.118 -1.099 1325 2HG1 VAL 77 HG11 VAL 77 3.618 1.690 -0.301 1326 3HG1 VAL 77 HG13 VAL 77 2.540 2.973 -0.842 1327 1HG2 VAL 77 HG21 VAL 77 4.973 3.378 2.624 1328 2HG2 VAL 77 HG23 VAL 77 4.669 1.809 1.876 1329 3HG2 VAL 77 HG22 VAL 77 5.741 2.970 1.091 1330 H SER 78 HN SER 78 1.452 5.549 1.247 1331 HA SER 78 HA SER 78 0.334 5.605 -1.373 1332 1HB SER 78 HB2 SER 78 -1.001 5.458 0.724 1333 2HB SER 78 HB1 SER 78 -0.580 7.130 1.083 1334 HG SER 78 HG SER 78 -2.436 7.345 0.013 1335 H MET 79 HN MET 79 1.589 8.260 0.658 1336 HA MET 79 HA MET 79 0.907 10.382 -1.099 1337 1HB MET 79 HB2 MET 79 1.702 10.672 1.245 1338 2HB MET 79 HB1 MET 79 3.327 10.228 0.717 1339 1HG MET 79 HG2 MET 79 3.398 12.121 -0.811 1340 2HG MET 79 HG1 MET 79 1.725 12.529 -0.431 1341 1HE MET 79 HE1 MET 79 4.252 14.416 -0.346 1342 2HE MET 79 HE3 MET 79 2.618 14.993 0.011 1343 3HE MET 79 HE2 MET 79 3.947 15.367 1.105 1344 H VAL 80 HN VAL 80 3.821 8.350 -0.989 1345 HA VAL 80 HA VAL 80 5.225 9.779 -3.044 1346 HB VAL 80 HB VAL 80 5.442 6.922 -2.062 1347 1HG1 VAL 80 HG13 VAL 80 7.099 8.461 -4.073 1348 2HG1 VAL 80 HG12 VAL 80 7.720 7.050 -3.214 1349 3HG1 VAL 80 HG11 VAL 80 6.327 6.890 -4.285 1350 1HG2 VAL 80 HG23 VAL 80 6.014 8.922 -0.554 1351 2HG2 VAL 80 HG22 VAL 80 7.288 7.724 -0.779 1352 3HG2 VAL 80 HG21 VAL 80 7.341 9.244 -1.671 1353 H THR 81 HN THR 81 2.990 7.032 -3.103 1354 HA THR 81 HA THR 81 3.243 6.354 -5.849 1355 HB THR 81 HB THR 81 0.747 6.221 -4.127 1356 HG1 THR 81 HG1 THR 81 2.622 4.169 -4.586 1357 1HG2 THR 81 HG23 THR 81 1.620 4.658 -6.567 1358 2HG2 THR 81 HG22 THR 81 0.168 4.336 -5.622 1359 3HG2 THR 81 HG21 THR 81 0.321 5.847 -6.520 1360 H THR 82 HN THR 82 0.979 8.650 -4.269 1361 HA THR 82 HA THR 82 -0.280 9.434 -6.738 1362 HB THR 82 HB THR 82 -1.097 11.387 -5.395 1363 HG1 THR 82 HG1 THR 82 0.463 10.171 -3.364 1364 1HG2 THR 82 HG21 THR 82 -1.266 8.624 -4.173 1365 2HG2 THR 82 HG23 THR 82 -2.293 9.972 -3.681 1366 3HG2 THR 82 HG22 THR 82 -2.382 9.350 -5.329 1367 H ALA 83 HN ALA 83 2.446 10.748 -4.880 1368 HA ALA 83 HA ALA 83 2.846 13.101 -6.437 1369 1HB ALA 83 HB2 ALA 83 4.874 11.407 -4.953 1370 2HB ALA 83 HB1 ALA 83 5.160 13.043 -5.547 1371 3HB ALA 83 HB3 ALA 83 3.963 12.761 -4.286 1372 H CYS 84 HN CYS 84 4.068 9.792 -6.848 1373 HA CYS 84 HA CYS 84 5.993 10.008 -8.784 1374 1HB CYS 84 HB2 CYS 84 3.657 8.077 -8.818 1375 2HB CYS 84 HB1 CYS 84 5.137 7.882 -9.757 1376 HG CYS 84 HG CYS 84 6.417 7.296 -7.675 1377 H HIS 85 HN HIS 85 5.933 9.907 -11.169 1378 HA HIS 85 HA HIS 85 3.885 11.768 -12.245 1379 1HB HIS 85 HB2 HIS 85 6.416 10.655 -13.498 1380 2HB HIS 85 HB1 HIS 85 5.395 11.918 -14.185 1381 HD1 HIS 85 HD1 HIS 85 5.352 14.236 -12.932 1382 HD2 HIS 85 HD2 HIS 85 8.130 11.511 -11.431 1383 HE1 HIS 85 HE1 HIS 85 6.912 15.554 -11.428 1384 HE2 HIS 85 HE2 HIS 85 8.603 13.903 -10.507 1385 H GLU 86 HN GLU 86 2.065 10.468 -12.595 1386 HA GLU 86 HA GLU 86 0.760 8.750 -13.549 1387 1HB GLU 86 HB2 GLU 86 2.657 9.438 -15.815 1388 2HB GLU 86 HB1 GLU 86 1.123 8.583 -16.004 1389 1HG GLU 86 HG2 GLU 86 -0.074 10.521 -15.048 1390 2HG GLU 86 HG1 GLU 86 1.458 11.376 -14.864 1391 H PHE 87 HN PHE 87 1.642 6.880 -15.617 1392 HA PHE 87 HA PHE 87 3.002 4.944 -13.851 1393 1HB PHE 87 HB2 PHE 87 2.453 3.309 -15.584 1394 2HB PHE 87 HB1 PHE 87 1.025 4.277 -15.218 1395 HD1 PHE 87 HD1 PHE 87 0.276 6.060 -16.778 1396 HD2 PHE 87 HD2 PHE 87 3.559 3.458 -17.724 1397 HE1 PHE 87 HE1 PHE 87 0.131 6.739 -19.159 1398 HE2 PHE 87 HE2 PHE 87 3.417 4.138 -20.103 1399 HZ PHE 87 HZ PHE 87 1.703 5.780 -20.822 1400 H PHE 88 HN PHE 88 5.162 4.393 -14.056 1401 HA PHE 88 HA PHE 88 6.974 5.957 -15.546 1402 1HB PHE 88 HB2 PHE 88 7.101 3.282 -14.211 1403 2HB PHE 88 HB1 PHE 88 8.366 3.615 -15.390 1404 HD1 PHE 88 HD1 PHE 88 9.876 5.565 -15.095 1405 HD2 PHE 88 HD2 PHE 88 7.025 4.434 -12.088 1406 HE1 PHE 88 HE1 PHE 88 11.086 6.948 -13.431 1407 HE2 PHE 88 HE2 PHE 88 8.236 5.819 -10.422 1408 HZ PHE 88 HZ PHE 88 10.266 7.074 -11.094 1409 H GLU 89 HN GLU 89 7.779 5.821 -17.633 1410 HA GLU 89 HA GLU 89 6.133 4.527 -19.600 1411 1HB GLU 89 HB2 GLU 89 8.855 5.840 -19.758 1412 2HB GLU 89 HB1 GLU 89 7.993 5.231 -21.172 1413 1HG GLU 89 HG2 GLU 89 6.100 6.705 -20.688 1414 2HG GLU 89 HG1 GLU 89 6.897 7.278 -19.222 1415 H HIS 90 HN HIS 90 6.138 2.414 -20.049 1416 HA HIS 90 HA HIS 90 8.571 0.942 -20.580 1417 1HB HIS 90 HB2 HIS 90 8.478 0.987 -18.036 1418 2HB HIS 90 HB1 HIS 90 6.994 0.041 -18.154 1419 HD1 HIS 90 HD1 HIS 90 10.292 -0.268 -20.059 1420 HD2 HIS 90 HD2 HIS 90 7.771 -2.563 -17.657 1421 HE1 HIS 90 HE1 HIS 90 11.285 -2.600 -19.997 1422 HE2 HIS 90 HE2 HIS 90 9.761 -4.003 -18.533 1423 H GLU 91 HN GLU 91 8.028 -1.289 -21.314 1424 HA GLU 91 HA GLU 91 5.575 -1.345 -22.809 1425 1HB GLU 91 HB2 GLU 91 6.193 -3.743 -23.240 1426 2HB GLU 91 HB1 GLU 91 7.495 -2.605 -23.591 1427 1HG GLU 91 HG2 GLU 91 8.494 -3.056 -21.382 1428 2HG GLU 91 HG1 GLU 91 7.196 -4.198 -21.027 No H/Q in entry = 1428 Start of MODEL 12 1 1H MET 0 HT3 MET 0 18.892 -2.873 -0.249 2 2H MET 0 HT2 MET 0 18.217 -4.122 0.686 3 3H MET 0 HT1 MET 0 19.761 -4.308 0.001 4 HA MET 0 HA MET 0 18.972 -4.726 -2.079 5 1HB MET 0 HB2 MET 0 16.818 -5.593 -0.133 6 2HB MET 0 HB1 MET 0 16.820 -6.078 -1.828 7 1HG MET 0 HG2 MET 0 19.063 -7.076 -1.543 8 2HG MET 0 HG1 MET 0 19.062 -6.593 0.154 9 1HE MET 0 HE3 MET 0 16.967 -7.080 1.655 10 2HE MET 0 HE2 MET 0 16.584 -8.777 1.914 11 3HE MET 0 HE1 MET 0 18.254 -8.229 2.036 12 H SER 1 HN SER 1 16.741 -4.713 -3.450 13 HA SER 1 HA SER 1 15.571 -1.954 -3.180 14 1HB SER 1 HB2 SER 1 15.403 -1.959 -5.647 15 2HB SER 1 HB1 SER 1 17.074 -2.116 -5.114 16 HG SER 1 HG SER 1 17.099 -4.159 -5.770 17 H GLU 2 HN GLU 2 14.663 -4.816 -2.369 18 HA GLU 2 HA GLU 2 12.478 -5.563 -4.033 19 1HB GLU 2 HB2 GLU 2 12.936 -5.941 -1.069 20 2HB GLU 2 HB1 GLU 2 11.600 -6.684 -1.945 21 1HG GLU 2 HG2 GLU 2 14.516 -7.041 -2.698 22 2HG GLU 2 HG1 GLU 2 13.612 -8.177 -1.701 23 H LEU 3 HN LEU 3 12.603 -3.305 -1.263 24 HA LEU 3 HA LEU 3 9.847 -2.891 -0.946 25 1HB LEU 3 HB2 LEU 3 11.956 -1.887 0.318 26 2HB LEU 3 HB1 LEU 3 11.726 -0.542 -0.788 27 HG LEU 3 HG LEU 3 10.547 -0.053 1.263 28 1HD1 LEU 3 HD12 LEU 3 9.468 0.506 -0.948 29 2HD1 LEU 3 HD11 LEU 3 8.467 -0.932 -0.742 30 3HD1 LEU 3 HD13 LEU 3 8.356 0.390 0.416 31 1HD2 LEU 3 HD22 LEU 3 10.286 -2.625 1.780 32 2HD2 LEU 3 HD21 LEU 3 9.089 -1.484 2.386 33 3HD2 LEU 3 HD23 LEU 3 8.736 -2.447 0.954 34 H GLU 4 HN GLU 4 12.045 -0.978 -3.047 35 HA GLU 4 HA GLU 4 9.903 0.519 -4.214 36 1HB GLU 4 HB2 GLU 4 11.529 1.182 -5.932 37 2HB GLU 4 HB1 GLU 4 12.219 1.291 -4.317 38 1HG GLU 4 HG2 GLU 4 13.439 -0.767 -4.611 39 2HG GLU 4 HG1 GLU 4 12.612 -1.102 -6.135 40 H LYS 5 HN LYS 5 11.254 -2.645 -5.064 41 HA LYS 5 HA LYS 5 10.123 -2.840 -7.676 42 1HB LYS 5 HB2 LYS 5 11.741 -4.491 -6.777 43 2HB LYS 5 HB1 LYS 5 10.529 -5.043 -5.626 44 1HG LYS 5 HG2 LYS 5 10.522 -6.599 -7.464 45 2HG LYS 5 HG1 LYS 5 9.053 -5.643 -7.610 46 1HD LYS 5 HD2 LYS 5 9.975 -4.323 -9.378 47 2HD LYS 5 HD1 LYS 5 11.603 -4.927 -9.077 48 1HE LYS 5 HE2 LYS 5 9.241 -6.505 -10.149 49 2HE LYS 5 HE1 LYS 5 10.687 -6.032 -11.042 50 1HZ LYS 5 HZ2 LYS 5 11.769 -7.311 -8.972 51 2HZ LYS 5 HZ1 LYS 5 10.310 -8.172 -9.120 52 3HZ LYS 5 HZ3 LYS 5 11.370 -8.067 -10.441 53 H ALA 6 HN ALA 6 8.788 -3.527 -4.475 54 HA ALA 6 HA ALA 6 6.323 -4.660 -5.312 55 1HB ALA 6 HB3 ALA 6 6.922 -2.979 -2.860 56 2HB ALA 6 HB2 ALA 6 5.476 -3.959 -3.085 57 3HB ALA 6 HB1 ALA 6 7.055 -4.735 -2.973 58 H MET 7 HN MET 7 7.289 -1.267 -4.844 59 HA MET 7 HA MET 7 4.708 -0.118 -5.197 60 1HB MET 7 HB2 MET 7 6.797 1.091 -4.439 61 2HB MET 7 HB1 MET 7 7.319 1.107 -6.124 62 1HG MET 7 HG2 MET 7 5.105 2.215 -6.687 63 2HG MET 7 HG1 MET 7 4.839 2.391 -4.954 64 1HE MET 7 HE1 MET 7 6.232 3.426 -3.383 65 2HE MET 7 HE3 MET 7 7.916 3.123 -3.828 66 3HE MET 7 HE2 MET 7 7.333 4.776 -3.650 67 H VAL 8 HN VAL 8 7.208 -1.010 -7.577 68 HA VAL 8 HA VAL 8 5.802 0.018 -9.863 69 HB VAL 8 HB VAL 8 7.927 -2.120 -9.573 70 1HG1 VAL 8 HG11 VAL 8 6.674 -0.925 -12.062 71 2HG1 VAL 8 HG13 VAL 8 8.237 -1.739 -12.069 72 3HG1 VAL 8 HG12 VAL 8 6.783 -2.631 -11.631 73 1HG2 VAL 8 HG23 VAL 8 7.982 0.758 -10.526 74 2HG2 VAL 8 HG22 VAL 8 8.620 0.158 -8.994 75 3HG2 VAL 8 HG21 VAL 8 9.366 -0.334 -10.515 76 H ALA 9 HN ALA 9 5.848 -3.203 -8.326 77 HA ALA 9 HA ALA 9 4.300 -4.524 -10.318 78 1HB ALA 9 HB1 ALA 9 4.772 -5.023 -7.387 79 2HB ALA 9 HB3 ALA 9 3.631 -6.024 -8.287 80 3HB ALA 9 HB2 ALA 9 5.324 -5.958 -8.775 81 H LEU 10 HN LEU 10 3.230 -2.815 -7.363 82 HA LEU 10 HA LEU 10 0.462 -3.394 -7.648 83 1HB LEU 10 HB2 LEU 10 1.521 -2.353 -5.625 84 2HB LEU 10 HB1 LEU 10 1.723 -0.865 -6.538 85 HG LEU 10 HG LEU 10 -0.786 -0.847 -6.906 86 1HD1 LEU 10 HD12 LEU 10 -0.546 -3.192 -5.020 87 2HD1 LEU 10 HD11 LEU 10 -2.003 -2.200 -5.032 88 3HD1 LEU 10 HD13 LEU 10 -1.505 -3.058 -6.490 89 1HD2 LEU 10 HD23 LEU 10 0.344 -0.722 -4.094 90 2HD2 LEU 10 HD22 LEU 10 0.197 0.608 -5.240 91 3HD2 LEU 10 HD21 LEU 10 -1.249 -0.110 -4.531 92 H ILE 11 HN ILE 11 2.351 -0.595 -8.812 93 HA ILE 11 HA ILE 11 0.125 0.612 -10.183 94 HB ILE 11 HB ILE 11 3.121 0.912 -10.506 95 1HG1 ILE 11 HG12 ILE 11 1.072 2.798 -9.321 96 2HG1 ILE 11 HG11 ILE 11 1.973 1.627 -8.354 97 1HG2 ILE 11 HG21 ILE 11 0.821 2.287 -11.886 98 2HG2 ILE 11 HG23 ILE 11 2.365 3.109 -11.668 99 3HG2 ILE 11 HG22 ILE 11 2.282 1.615 -12.601 100 1HD1 ILE 11 HD11 ILE 11 4.094 2.625 -9.152 101 2HD1 ILE 11 HD13 ILE 11 3.176 3.820 -10.070 102 3HD1 ILE 11 HD12 ILE 11 3.096 3.809 -8.307 103 H ASP 12 HN ASP 12 2.772 -1.505 -11.261 104 HA ASP 12 HA ASP 12 2.144 -1.520 -14.025 105 1HB ASP 12 HB2 ASP 12 4.238 -2.410 -13.105 106 2HB ASP 12 HB1 ASP 12 3.347 -3.721 -12.331 107 H VAL 13 HN VAL 13 1.113 -3.804 -11.478 108 HA VAL 13 HA VAL 13 -0.523 -5.382 -13.239 109 HB VAL 13 HB VAL 13 -0.503 -5.036 -10.228 110 1HG1 VAL 13 HG11 VAL 13 -2.211 -6.781 -11.998 111 2HG1 VAL 13 HG13 VAL 13 -1.809 -7.277 -10.353 112 3HG1 VAL 13 HG12 VAL 13 -2.701 -5.782 -10.629 113 1HG2 VAL 13 HG21 VAL 13 0.542 -7.167 -12.119 114 2HG2 VAL 13 HG23 VAL 13 1.498 -6.110 -11.077 115 3HG2 VAL 13 HG22 VAL 13 0.476 -7.361 -10.368 116 H PHE 14 HN PHE 14 -1.238 -2.692 -11.040 117 HA PHE 14 HA PHE 14 -4.050 -2.706 -11.325 118 1HB PHE 14 HB2 PHE 14 -3.067 -1.391 -9.586 119 2HB PHE 14 HB1 PHE 14 -2.083 -0.485 -10.732 120 HD1 PHE 14 HD1 PHE 14 -5.742 -1.376 -10.584 121 HD2 PHE 14 HD2 PHE 14 -2.796 1.745 -10.850 122 HE1 PHE 14 HE1 PHE 14 -7.530 0.301 -10.812 123 HE2 PHE 14 HE2 PHE 14 -4.606 3.421 -11.069 124 HZ PHE 14 HZ PHE 14 -6.979 2.703 -11.052 125 H HIS 15 HN HIS 15 -1.657 -0.787 -13.179 126 HA HIS 15 HA HIS 15 -3.685 0.377 -14.857 127 1HB HIS 15 HB2 HIS 15 -0.685 0.142 -15.090 128 2HB HIS 15 HB1 HIS 15 -1.663 0.935 -16.327 129 HD1 HIS 15 HD1 HIS 15 -1.015 1.166 -12.574 130 HD2 HIS 15 HD2 HIS 15 -2.323 3.556 -15.730 131 HE1 HIS 15 HE1 HIS 15 -1.279 3.508 -11.638 132 HE2 HIS 15 HE2 HIS 15 -2.060 4.973 -13.556 133 H GLN 16 HN GLN 16 -1.523 -2.425 -15.320 134 HA GLN 16 HA GLN 16 -2.276 -2.910 -18.038 135 1HB GLN 16 HB2 GLN 16 -1.118 -4.629 -15.846 136 2HB GLN 16 HB1 GLN 16 -1.533 -5.324 -17.411 137 1HG GLN 16 HG2 GLN 16 0.882 -4.516 -17.129 138 2HG GLN 16 HG1 GLN 16 0.030 -3.940 -18.558 139 1HE2 GLN 16 HE22 GLN 16 1.519 -1.258 -15.992 140 2HE2 GLN 16 HE21 GLN 16 1.938 -2.903 -15.972 141 H TYR 17 HN TYR 17 -3.624 -4.128 -14.978 142 HA TYR 17 HA TYR 17 -5.583 -5.813 -16.292 143 1HB TYR 17 HB2 TYR 17 -4.596 -5.628 -13.737 144 2HB TYR 17 HB1 TYR 17 -6.171 -4.880 -13.523 145 HD1 TYR 17 HD2 TYR 17 -7.997 -6.307 -15.187 146 HD2 TYR 17 HD1 TYR 17 -4.604 -7.860 -13.050 147 HE1 TYR 17 HE2 TYR 17 -9.033 -8.561 -15.170 148 HE2 TYR 17 HE1 TYR 17 -5.644 -10.108 -13.035 149 HH TYR 17 HH TYR 17 -7.639 -11.217 -14.851 150 H SER 18 HN SER 18 -5.625 -2.533 -14.946 151 HA SER 18 HA SER 18 -8.418 -2.045 -15.143 152 1HB SER 18 HB2 SER 18 -7.840 0.313 -15.053 153 2HB SER 18 HB1 SER 18 -6.786 -0.586 -13.964 154 HG SER 18 HG SER 18 -5.701 0.943 -15.377 155 H GLY 19 HN GLY 19 -6.032 -2.292 -17.639 156 1HA GLY 19 HA2 GLY 19 -7.332 -0.654 -19.615 157 2HA GLY 19 HA1 GLY 19 -6.146 -1.913 -19.951 158 H ARG 20 HN ARG 20 -9.077 -2.659 -18.165 159 HA ARG 20 HA ARG 20 -9.795 -4.789 -19.909 160 1HB ARG 20 HB2 ARG 20 -11.287 -3.245 -17.792 161 2HB ARG 20 HB1 ARG 20 -12.116 -4.472 -18.747 162 1HG ARG 20 HG2 ARG 20 -9.486 -5.200 -17.482 163 2HG ARG 20 HG1 ARG 20 -10.907 -5.106 -16.446 164 1HD ARG 20 HD2 ARG 20 -10.799 -6.724 -19.009 165 2HD ARG 20 HD1 ARG 20 -10.463 -7.396 -17.412 166 HE ARG 20 HE ARG 20 -12.938 -6.256 -17.072 167 1HH1 ARG 20 HH21 ARG 20 -11.496 -8.390 -19.360 168 2HH1 ARG 20 HH22 ARG 20 -12.971 -9.227 -19.714 169 1HH2 ARG 20 HH11 ARG 20 -14.887 -7.344 -17.528 170 2HH2 ARG 20 HH12 ARG 20 -14.885 -8.637 -18.681 171 H GLU 21 HN GLU 21 -10.959 -1.408 -19.771 172 HA GLU 21 HA GLU 21 -11.777 -1.611 -22.589 173 1HB GLU 21 HB2 GLU 21 -13.677 -2.493 -21.055 174 2HB GLU 21 HB1 GLU 21 -13.890 -0.808 -20.589 175 1HG GLU 21 HG2 GLU 21 -15.395 -1.112 -22.389 176 2HG GLU 21 HG1 GLU 21 -14.003 -0.311 -23.117 177 H GLY 22 HN GLY 22 -10.597 0.189 -23.190 178 1HA GLY 22 HA2 GLY 22 -10.011 2.451 -23.394 179 2HA GLY 22 HA1 GLY 22 -11.627 2.790 -22.787 180 H ASP 23 HN ASP 23 -11.731 2.342 -20.229 181 HA ASP 23 HA ASP 23 -10.017 4.276 -19.036 182 1HB ASP 23 HB2 ASP 23 -10.946 3.525 -16.898 183 2HB ASP 23 HB1 ASP 23 -12.223 3.611 -18.112 184 H LYS 24 HN LYS 24 -7.986 4.116 -18.265 185 HA LYS 24 HA LYS 24 -6.797 1.389 -17.883 186 1HB LYS 24 HB2 LYS 24 -4.618 2.545 -18.456 187 2HB LYS 24 HB1 LYS 24 -5.762 2.413 -19.791 188 1HG LYS 24 HG2 LYS 24 -6.525 4.727 -19.368 189 2HG LYS 24 HG1 LYS 24 -5.364 4.863 -18.043 190 1HD LYS 24 HD2 LYS 24 -3.516 4.424 -19.633 191 2HD LYS 24 HD1 LYS 24 -4.682 4.326 -20.951 192 1HE LYS 24 HE2 LYS 24 -3.603 6.564 -20.811 193 2HE LYS 24 HE1 LYS 24 -5.350 6.647 -20.583 194 1HZ LYS 24 HZ1 LYS 24 -3.469 6.432 -18.307 195 2HZ LYS 24 HZ3 LYS 24 -3.932 7.929 -18.954 196 3HZ LYS 24 HZ2 LYS 24 -5.104 6.897 -18.282 197 H HIS 25 HN HIS 25 -7.703 4.248 -16.311 198 HA HIS 25 HA HIS 25 -5.930 3.563 -13.988 199 1HB HIS 25 HB2 HIS 25 -5.606 5.962 -13.574 200 2HB HIS 25 HB1 HIS 25 -4.996 5.515 -15.168 201 HD1 HIS 25 HD1 HIS 25 -6.861 5.875 -17.189 202 HD2 HIS 25 HD2 HIS 25 -7.422 8.037 -13.667 203 HE1 HIS 25 HE1 HIS 25 -8.422 7.787 -17.763 204 HE2 HIS 25 HE2 HIS 25 -8.772 9.109 -15.623 205 H LYS 26 HN LYS 26 -8.984 3.368 -14.791 206 HA LYS 26 HA LYS 26 -9.936 4.310 -12.118 207 1HB LYS 26 HB2 LYS 26 -10.479 6.033 -13.888 208 2HB LYS 26 HB1 LYS 26 -11.465 4.811 -14.688 209 1HG LYS 26 HG2 LYS 26 -12.784 4.546 -12.579 210 2HG LYS 26 HG1 LYS 26 -11.853 5.864 -11.869 211 1HD LYS 26 HD2 LYS 26 -13.279 6.282 -14.495 212 2HD LYS 26 HD1 LYS 26 -14.174 6.385 -12.983 213 1HE LYS 26 HE2 LYS 26 -11.664 7.986 -13.560 214 2HE LYS 26 HE1 LYS 26 -13.298 8.596 -13.794 215 1HZ LYS 26 HZ3 LYS 26 -13.206 7.478 -11.255 216 2HZ LYS 26 HZ2 LYS 26 -11.806 8.429 -11.413 217 3HZ LYS 26 HZ1 LYS 26 -13.337 9.119 -11.662 218 H LEU 27 HN LEU 27 -11.577 3.009 -11.242 219 HA LEU 27 HA LEU 27 -12.194 0.503 -12.781 220 1HB LEU 27 HB2 LEU 27 -12.467 0.945 -9.798 221 2HB LEU 27 HB1 LEU 27 -12.612 -0.572 -10.662 222 HG LEU 27 HG LEU 27 -10.449 -0.502 -9.592 223 1HD1 LEU 27 HD11 LEU 27 -10.790 -1.263 -12.101 224 2HD1 LEU 27 HD13 LEU 27 -9.738 0.111 -12.439 225 3HD1 LEU 27 HD12 LEU 27 -9.179 -1.197 -11.396 226 1HD2 LEU 27 HD23 LEU 27 -10.527 2.234 -9.916 227 2HD2 LEU 27 HD22 LEU 27 -9.098 1.326 -9.460 228 3HD2 LEU 27 HD21 LEU 27 -9.343 1.778 -11.145 229 H LYS 28 HN LYS 28 -14.318 0.057 -13.217 230 HA LYS 28 HA LYS 28 -16.350 2.070 -12.363 231 1HB LYS 28 HB2 LYS 28 -16.343 -0.039 -14.534 232 2HB LYS 28 HB1 LYS 28 -17.763 0.925 -14.123 233 1HG LYS 28 HG2 LYS 28 -16.399 2.989 -14.530 234 2HG LYS 28 HG1 LYS 28 -15.085 1.957 -15.093 235 1HD LYS 28 HD2 LYS 28 -17.872 2.054 -16.294 236 2HD LYS 28 HD1 LYS 28 -16.443 2.831 -16.977 237 1HE LYS 28 HE2 LYS 28 -16.421 0.844 -18.172 238 2HE LYS 28 HE1 LYS 28 -15.445 0.350 -16.788 239 1HZ LYS 28 HZ2 LYS 28 -18.393 0.020 -16.928 240 2HZ LYS 28 HZ1 LYS 28 -17.296 -1.191 -17.396 241 3HZ LYS 28 HZ3 LYS 28 -17.336 -0.655 -15.787 242 H LYS 29 HN LYS 29 -18.655 0.823 -12.222 243 HA LYS 29 HA LYS 29 -18.582 -0.638 -9.781 244 1HB LYS 29 HB2 LYS 29 -20.750 -0.694 -11.897 245 2HB LYS 29 HB1 LYS 29 -20.941 -1.110 -10.196 246 1HG LYS 29 HG2 LYS 29 -20.333 1.198 -9.557 247 2HG LYS 29 HG1 LYS 29 -20.161 1.616 -11.265 248 1HD LYS 29 HD2 LYS 29 -22.551 0.901 -11.605 249 2HD LYS 29 HD1 LYS 29 -22.694 0.722 -9.859 250 1HE LYS 29 HE2 LYS 29 -23.486 2.901 -10.202 251 2HE LYS 29 HE1 LYS 29 -21.795 3.184 -9.793 252 1HZ LYS 29 HZ3 LYS 29 -22.499 2.742 -12.604 253 2HZ LYS 29 HZ2 LYS 29 -22.862 4.250 -11.910 254 3HZ LYS 29 HZ1 LYS 29 -21.259 3.687 -11.938 255 H SER 30 HN SER 30 -19.328 -1.862 -13.066 256 HA SER 30 HA SER 30 -19.363 -4.619 -12.288 257 1HB SER 30 HB2 SER 30 -18.870 -3.383 -15.014 258 2HB SER 30 HB1 SER 30 -19.248 -5.078 -14.724 259 HG SER 30 HG SER 30 -21.234 -4.411 -13.837 260 H GLU 31 HN GLU 31 -16.812 -2.562 -13.648 261 HA GLU 31 HA GLU 31 -14.892 -4.604 -14.122 262 1HB GLU 31 HB2 GLU 31 -14.662 -2.277 -14.949 263 2HB GLU 31 HB1 GLU 31 -14.381 -1.733 -13.297 264 1HG GLU 31 HG2 GLU 31 -12.372 -3.130 -13.140 265 2HG GLU 31 HG1 GLU 31 -12.664 -3.756 -14.762 266 H LEU 32 HN LEU 32 -15.530 -2.717 -11.159 267 HA LEU 32 HA LEU 32 -13.270 -3.667 -9.734 268 1HB LEU 32 HB2 LEU 32 -15.144 -1.851 -9.158 269 2HB LEU 32 HB1 LEU 32 -15.831 -3.189 -8.243 270 HG LEU 32 HG LEU 32 -12.987 -2.152 -7.968 271 1HD1 LEU 32 HD11 LEU 32 -14.677 -0.587 -7.076 272 2HD1 LEU 32 HD13 LEU 32 -15.388 -1.894 -6.132 273 3HD1 LEU 32 HD12 LEU 32 -13.755 -1.333 -5.770 274 1HD2 LEU 32 HD23 LEU 32 -14.533 -4.397 -6.666 275 2HD2 LEU 32 HD22 LEU 32 -12.913 -4.429 -7.367 276 3HD2 LEU 32 HD21 LEU 32 -13.188 -3.619 -5.831 277 H LYS 33 HN LYS 33 -16.537 -5.073 -10.044 278 HA LYS 33 HA LYS 33 -16.155 -7.199 -8.189 279 1HB LYS 33 HB2 LYS 33 -18.353 -6.636 -9.155 280 2HB LYS 33 HB1 LYS 33 -17.815 -7.202 -10.732 281 1HG LYS 33 HG2 LYS 33 -17.500 -9.121 -8.452 282 2HG LYS 33 HG1 LYS 33 -19.149 -8.792 -8.962 283 1HD LYS 33 HD2 LYS 33 -17.205 -9.374 -11.167 284 2HD LYS 33 HD1 LYS 33 -17.595 -10.719 -10.103 285 1HE LYS 33 HE2 LYS 33 -19.131 -10.677 -12.011 286 2HE LYS 33 HE1 LYS 33 -20.007 -10.339 -10.520 287 1HZ LYS 33 HZ1 LYS 33 -19.455 -7.891 -11.156 288 2HZ LYS 33 HZ3 LYS 33 -19.302 -8.531 -12.719 289 3HZ LYS 33 HZ2 LYS 33 -20.770 -8.688 -11.879 290 H GLU 34 HN GLU 34 -15.484 -7.036 -11.674 291 HA GLU 34 HA GLU 34 -14.618 -9.723 -12.007 292 1HB GLU 34 HB2 GLU 34 -15.147 -8.244 -13.897 293 2HB GLU 34 HB1 GLU 34 -13.756 -7.234 -13.513 294 1HG GLU 34 HG2 GLU 34 -13.183 -8.753 -15.338 295 2HG GLU 34 HG1 GLU 34 -12.267 -9.204 -13.904 296 H LEU 35 HN LEU 35 -12.812 -6.818 -11.050 297 HA LEU 35 HA LEU 35 -10.210 -7.950 -11.157 298 1HB LEU 35 HB2 LEU 35 -11.034 -5.480 -10.731 299 2HB LEU 35 HB1 LEU 35 -10.970 -5.946 -9.034 300 HG LEU 35 HG LEU 35 -8.654 -6.221 -10.984 301 1HD1 LEU 35 HD11 LEU 35 -9.341 -3.847 -10.451 302 2HD1 LEU 35 HD13 LEU 35 -9.002 -4.204 -8.764 303 3HD1 LEU 35 HD12 LEU 35 -7.702 -4.264 -9.948 304 1HD2 LEU 35 HD22 LEU 35 -9.051 -6.859 -8.065 305 2HD2 LEU 35 HD21 LEU 35 -8.204 -7.779 -9.310 306 3HD2 LEU 35 HD23 LEU 35 -7.462 -6.341 -8.624 307 H ILE 36 HN ILE 36 -12.482 -7.732 -8.406 308 HA ILE 36 HA ILE 36 -10.825 -9.032 -6.502 309 HB ILE 36 HB ILE 36 -13.847 -8.905 -6.697 310 1HG1 ILE 36 HG12 ILE 36 -11.929 -7.305 -4.975 311 2HG1 ILE 36 HG11 ILE 36 -12.541 -6.732 -6.526 312 1HG2 ILE 36 HG23 ILE 36 -11.998 -9.802 -4.482 313 2HG2 ILE 36 HG22 ILE 36 -13.660 -9.309 -4.182 314 3HG2 ILE 36 HG21 ILE 36 -13.325 -10.705 -5.206 315 1HD1 ILE 36 HD11 ILE 36 -14.387 -7.627 -4.303 316 2HD1 ILE 36 HD13 ILE 36 -13.831 -5.961 -4.450 317 3HD1 ILE 36 HD12 ILE 36 -14.790 -6.688 -5.740 318 H ASN 37 HN ASN 37 -13.255 -10.436 -8.724 319 HA ASN 37 HA ASN 37 -13.087 -13.092 -7.708 320 1HB ASN 37 HB2 ASN 37 -14.837 -12.207 -9.300 321 2HB ASN 37 HB1 ASN 37 -13.640 -12.354 -10.588 322 1HD2 ASN 37 HD21 ASN 37 -15.324 -14.289 -8.076 323 2HD2 ASN 37 HD22 ASN 37 -15.208 -15.761 -8.912 324 H ASN 38 HN ASN 38 -11.154 -11.475 -10.230 325 HA ASN 38 HA ASN 38 -9.781 -13.894 -10.994 326 1HB ASN 38 HB2 ASN 38 -8.945 -11.006 -11.359 327 2HB ASN 38 HB1 ASN 38 -8.256 -12.398 -12.197 328 1HD2 ASN 38 HD22 ASN 38 -11.417 -12.979 -14.007 329 2HD2 ASN 38 HD21 ASN 38 -10.325 -13.887 -13.079 330 H GLU 39 HN GLU 39 -8.294 -11.025 -9.413 331 HA GLU 39 HA GLU 39 -6.183 -12.796 -8.367 332 1HB GLU 39 HB2 GLU 39 -6.514 -9.798 -8.230 333 2HB GLU 39 HB1 GLU 39 -5.094 -10.690 -7.680 334 1HG GLU 39 HG2 GLU 39 -4.951 -11.684 -10.015 335 2HG GLU 39 HG1 GLU 39 -6.181 -10.516 -10.497 336 H LEU 40 HN LEU 40 -7.598 -10.037 -6.597 337 HA LEU 40 HA LEU 40 -7.115 -11.292 -4.083 338 1HB LEU 40 HB2 LEU 40 -7.521 -8.774 -4.693 339 2HB LEU 40 HB1 LEU 40 -9.217 -9.155 -4.420 340 HG LEU 40 HG LEU 40 -8.256 -8.286 -2.359 341 1HD1 LEU 40 HD11 LEU 40 -9.858 -10.309 -2.353 342 2HD1 LEU 40 HD13 LEU 40 -8.437 -11.264 -1.919 343 3HD1 LEU 40 HD12 LEU 40 -8.982 -9.958 -0.865 344 1HD2 LEU 40 HD22 LEU 40 -5.872 -9.293 -3.121 345 2HD2 LEU 40 HD21 LEU 40 -6.242 -8.906 -1.445 346 3HD2 LEU 40 HD23 LEU 40 -6.355 -10.573 -2.010 347 H SER 41 HN SER 41 -8.073 -13.205 -3.637 348 HA SER 41 HA SER 41 -10.968 -13.226 -3.196 349 1HB SER 41 HB2 SER 41 -10.983 -13.848 -5.537 350 2HB SER 41 HB1 SER 41 -9.692 -15.018 -5.282 351 HG SER 41 HG SER 41 -11.065 -16.320 -4.206 352 H HIS 42 HN HIS 42 -7.792 -14.485 -2.790 353 HA HIS 42 HA HIS 42 -8.366 -16.969 -1.532 354 1HB HIS 42 HB2 HIS 42 -6.089 -15.903 -2.294 355 2HB HIS 42 HB1 HIS 42 -6.055 -15.230 -0.667 356 HD1 HIS 42 HD1 HIS 42 -5.983 -18.504 -2.533 357 HD2 HIS 42 HD2 HIS 42 -5.572 -17.137 1.388 358 HE1 HIS 42 HE1 HIS 42 -5.097 -20.456 -1.183 359 HE2 HIS 42 HE2 HIS 42 -4.816 -19.626 1.197 360 H PHE 43 HN PHE 43 -7.845 -13.739 -0.057 361 HA PHE 43 HA PHE 43 -8.389 -14.696 2.610 362 1HB PHE 43 HB2 PHE 43 -8.307 -11.907 1.435 363 2HB PHE 43 HB1 PHE 43 -8.641 -12.219 3.139 364 HD1 PHE 43 HD2 PHE 43 -6.946 -13.207 4.605 365 HD2 PHE 43 HD1 PHE 43 -6.089 -12.324 0.489 366 HE1 PHE 43 HE2 PHE 43 -4.524 -13.485 5.053 367 HE2 PHE 43 HE1 PHE 43 -3.664 -12.605 0.939 368 HZ PHE 43 HZ PHE 43 -2.881 -13.181 3.220 369 H LEU 44 HN LEU 44 -10.431 -13.144 0.141 370 HA LEU 44 HA LEU 44 -12.774 -13.419 1.985 371 1HB LEU 44 HB2 LEU 44 -12.516 -11.955 -0.658 372 2HB LEU 44 HB1 LEU 44 -13.914 -11.917 0.418 373 HG LEU 44 HG LEU 44 -11.122 -11.032 1.214 374 1HD1 LEU 44 HD11 LEU 44 -13.540 -9.379 0.428 375 2HD1 LEU 44 HD13 LEU 44 -12.024 -8.738 1.060 376 3HD1 LEU 44 HD12 LEU 44 -12.053 -9.548 -0.507 377 1HD2 LEU 44 HD22 LEU 44 -13.782 -11.182 2.619 378 2HD2 LEU 44 HD21 LEU 44 -12.164 -11.526 3.232 379 3HD2 LEU 44 HD23 LEU 44 -12.688 -9.857 3.022 380 H GLU 45 HN GLU 45 -14.001 -15.198 1.718 381 HA GLU 45 HA GLU 45 -14.006 -16.601 -0.928 382 1HB GLU 45 HB2 GLU 45 -14.612 -17.555 1.883 383 2HB GLU 45 HB1 GLU 45 -14.889 -18.532 0.441 384 1HG GLU 45 HG2 GLU 45 -12.542 -18.484 -0.124 385 2HG GLU 45 HG1 GLU 45 -12.206 -17.316 1.156 386 H GLU 46 HN GLU 46 -15.860 -14.425 0.798 387 HA GLU 46 HA GLU 46 -18.466 -15.671 0.334 388 1HB GLU 46 HB2 GLU 46 -19.414 -13.591 1.210 389 2HB GLU 46 HB1 GLU 46 -18.127 -14.183 2.258 390 1HG GLU 46 HG2 GLU 46 -16.581 -12.593 0.892 391 2HG GLU 46 HG1 GLU 46 -18.089 -11.847 0.360 392 H ILE 47 HN ILE 47 -19.581 -12.933 -0.474 393 HA ILE 47 HA ILE 47 -20.257 -11.895 -2.465 394 HB ILE 47 HB ILE 47 -17.710 -12.914 -3.747 395 1HG1 ILE 47 HG12 ILE 47 -18.104 -10.605 -1.820 396 2HG1 ILE 47 HG11 ILE 47 -16.982 -11.958 -1.660 397 1HG2 ILE 47 HG23 ILE 47 -19.554 -11.701 -5.048 398 2HG2 ILE 47 HG22 ILE 47 -19.136 -10.275 -4.100 399 3HG2 ILE 47 HG21 ILE 47 -17.935 -11.012 -5.159 400 1HD1 ILE 47 HD11 ILE 47 -15.984 -11.092 -3.913 401 2HD1 ILE 47 HD13 ILE 47 -16.824 -9.591 -3.514 402 3HD1 ILE 47 HD12 ILE 47 -15.595 -10.230 -2.425 403 H LYS 48 HN LYS 48 -21.889 -13.635 -2.503 404 HA LYS 48 HA LYS 48 -21.406 -15.731 -4.577 405 1HB LYS 48 HB2 LYS 48 -22.078 -16.568 -2.360 406 2HB LYS 48 HB1 LYS 48 -23.522 -15.562 -2.408 407 1HG LYS 48 HG2 LYS 48 -24.077 -17.869 -3.028 408 2HG LYS 48 HG1 LYS 48 -24.308 -16.808 -4.415 409 1HD LYS 48 HD2 LYS 48 -22.359 -17.587 -5.497 410 2HD LYS 48 HD1 LYS 48 -21.683 -18.247 -4.005 411 1HE LYS 48 HE2 LYS 48 -22.497 -20.076 -5.395 412 2HE LYS 48 HE1 LYS 48 -23.541 -19.933 -3.983 413 1HZ LYS 48 HZ2 LYS 48 -24.255 -18.398 -6.364 414 2HZ LYS 48 HZ1 LYS 48 -24.506 -20.078 -6.409 415 3HZ LYS 48 HZ3 LYS 48 -25.259 -19.143 -5.211 416 H GLU 49 HN GLU 49 -23.329 -12.921 -3.802 417 HA GLU 49 HA GLU 49 -24.784 -13.255 -6.408 418 1HB GLU 49 HB2 GLU 49 -25.898 -12.209 -3.789 419 2HB GLU 49 HB1 GLU 49 -26.743 -12.149 -5.335 420 1HG GLU 49 HG2 GLU 49 -25.755 -14.707 -4.034 421 2HG GLU 49 HG1 GLU 49 -27.411 -14.112 -3.930 422 H GLN 50 HN GLN 50 -25.354 -11.253 -7.441 423 HA GLN 50 HA GLN 50 -23.300 -9.266 -7.326 424 1HB GLN 50 HB2 GLN 50 -26.077 -9.154 -8.548 425 2HB GLN 50 HB1 GLN 50 -24.809 -7.963 -8.839 426 1HG GLN 50 HG2 GLN 50 -24.676 -9.509 -10.662 427 2HG GLN 50 HG1 GLN 50 -23.337 -9.917 -9.587 428 1HE2 GLN 50 HE22 GLN 50 -24.526 -13.170 -8.990 429 2HE2 GLN 50 HE21 GLN 50 -23.242 -12.064 -8.895 430 H GLU 51 HN GLU 51 -26.429 -9.550 -5.735 431 HA GLU 51 HA GLU 51 -26.725 -6.852 -4.871 432 1HB GLU 51 HB2 GLU 51 -27.566 -9.448 -3.546 433 2HB GLU 51 HB1 GLU 51 -28.059 -7.856 -2.975 434 1HG GLU 51 HG2 GLU 51 -29.842 -8.564 -4.366 435 2HG GLU 51 HG1 GLU 51 -28.920 -7.447 -5.368 436 H VAL 52 HN VAL 52 -24.905 -9.565 -3.478 437 HA VAL 52 HA VAL 52 -24.158 -8.304 -1.038 438 HB VAL 52 HB VAL 52 -22.752 -10.385 -2.738 439 1HG1 VAL 52 HG13 VAL 52 -22.022 -9.225 -0.044 440 2HG1 VAL 52 HG12 VAL 52 -21.495 -10.834 -0.537 441 3HG1 VAL 52 HG11 VAL 52 -20.992 -9.419 -1.460 442 1HG2 VAL 52 HG22 VAL 52 -24.396 -10.490 -0.191 443 2HG2 VAL 52 HG21 VAL 52 -24.869 -11.117 -1.771 444 3HG2 VAL 52 HG23 VAL 52 -23.547 -11.874 -0.880 445 H VAL 53 HN VAL 53 -22.636 -8.207 -4.270 446 HA VAL 53 HA VAL 53 -20.323 -6.717 -3.527 447 HB VAL 53 HB VAL 53 -21.868 -6.809 -6.136 448 1HG1 VAL 53 HG12 VAL 53 -19.277 -5.416 -5.414 449 2HG1 VAL 53 HG11 VAL 53 -19.668 -5.869 -7.073 450 3HG1 VAL 53 HG13 VAL 53 -20.697 -4.731 -6.205 451 1HG2 VAL 53 HG22 VAL 53 -19.311 -8.110 -5.153 452 2HG2 VAL 53 HG21 VAL 53 -20.824 -8.922 -5.561 453 3HG2 VAL 53 HG23 VAL 53 -19.862 -8.160 -6.827 454 H ASP 54 HN ASP 54 -23.590 -5.677 -4.442 455 HA ASP 54 HA ASP 54 -23.081 -2.889 -4.602 456 1HB ASP 54 HB2 ASP 54 -25.216 -3.983 -5.293 457 2HB ASP 54 HB1 ASP 54 -25.597 -4.249 -3.592 458 H LYS 55 HN LYS 55 -23.982 -4.912 -1.805 459 HA LYS 55 HA LYS 55 -24.125 -2.762 0.071 460 1HB LYS 55 HB2 LYS 55 -24.960 -5.038 0.580 461 2HB LYS 55 HB1 LYS 55 -23.298 -5.635 0.556 462 1HG LYS 55 HG2 LYS 55 -22.700 -4.332 2.472 463 2HG LYS 55 HG1 LYS 55 -24.183 -3.384 2.373 464 1HD LYS 55 HD2 LYS 55 -24.376 -5.032 4.173 465 2HD LYS 55 HD1 LYS 55 -25.506 -5.425 2.879 466 1HE LYS 55 HE2 LYS 55 -24.212 -7.399 3.786 467 2HE LYS 55 HE1 LYS 55 -24.063 -7.173 2.046 468 1HZ LYS 55 HZ3 LYS 55 -22.119 -5.791 3.722 469 2HZ LYS 55 HZ2 LYS 55 -21.975 -7.480 3.631 470 3HZ LYS 55 HZ1 LYS 55 -21.912 -6.545 2.217 471 H VAL 56 HN VAL 56 -21.426 -4.768 -1.066 472 HA VAL 56 HA VAL 56 -19.492 -3.621 0.741 473 HB VAL 56 HB VAL 56 -19.215 -5.106 -1.890 474 1HG1 VAL 56 HG11 VAL 56 -17.132 -3.976 -0.016 475 2HG1 VAL 56 HG13 VAL 56 -16.789 -5.402 -1.000 476 3HG1 VAL 56 HG12 VAL 56 -17.206 -3.874 -1.774 477 1HG2 VAL 56 HG23 VAL 56 -20.120 -6.241 0.234 478 2HG2 VAL 56 HG22 VAL 56 -18.729 -7.004 -0.535 479 3HG2 VAL 56 HG21 VAL 56 -18.505 -6.014 0.906 480 H MET 57 HN MET 57 -20.478 -2.870 -2.607 481 HA MET 57 HA MET 57 -18.493 -0.913 -3.150 482 1HB MET 57 HB2 MET 57 -20.101 -1.908 -4.822 483 2HB MET 57 HB1 MET 57 -21.356 -0.869 -4.146 484 1HG MET 57 HG2 MET 57 -20.405 0.228 -6.104 485 2HG MET 57 HG1 MET 57 -19.911 1.118 -4.663 486 1HE MET 57 HE2 MET 57 -18.401 2.150 -6.468 487 2HE MET 57 HE1 MET 57 -16.870 1.470 -7.012 488 3HE MET 57 HE3 MET 57 -18.383 0.965 -7.772 489 H GLU 58 HN GLU 58 -21.679 -0.559 -1.579 490 HA GLU 58 HA GLU 58 -21.653 2.292 -1.427 491 1HB GLU 58 HB2 GLU 58 -22.947 0.208 0.357 492 2HB GLU 58 HB1 GLU 58 -23.229 1.940 0.530 493 1HG GLU 58 HG2 GLU 58 -24.022 2.053 -1.807 494 2HG GLU 58 HG1 GLU 58 -23.749 0.321 -1.980 495 H THR 59 HN THR 59 -20.378 -0.172 0.794 496 HA THR 59 HA THR 59 -19.511 1.716 2.804 497 HB THR 59 HB THR 59 -18.521 -1.096 2.223 498 HG1 THR 59 HG1 THR 59 -20.041 -1.628 3.843 499 1HG2 THR 59 HG21 THR 59 -18.365 0.612 4.725 500 2HG2 THR 59 HG23 THR 59 -17.861 -1.074 4.601 501 3HG2 THR 59 HG22 THR 59 -17.005 0.169 3.689 502 H LEU 60 HN LEU 60 -17.876 0.130 0.049 503 HA LEU 60 HA LEU 60 -15.277 1.216 0.616 504 1HB LEU 60 HB2 LEU 60 -15.619 -0.706 -0.905 505 2HB LEU 60 HB1 LEU 60 -16.466 0.343 -2.039 506 HG LEU 60 HG LEU 60 -14.426 1.690 -2.352 507 1HD1 LEU 60 HD13 LEU 60 -13.411 -0.109 -0.160 508 2HD1 LEU 60 HD12 LEU 60 -12.271 0.502 -1.360 509 3HD1 LEU 60 HD11 LEU 60 -13.195 1.629 -0.369 510 1HD2 LEU 60 HD21 LEU 60 -14.218 -1.308 -2.708 511 2HD2 LEU 60 HD23 LEU 60 -14.632 -0.090 -3.917 512 3HD2 LEU 60 HD22 LEU 60 -12.979 -0.214 -3.318 513 H ASP 61 HN ASP 61 -17.961 2.383 -1.431 514 HA ASP 61 HA ASP 61 -16.460 4.644 -2.426 515 1HB ASP 61 HB2 ASP 61 -18.449 3.750 -3.599 516 2HB ASP 61 HB1 ASP 61 -19.466 4.267 -2.252 517 H GLU 62 HN GLU 62 -15.735 4.960 0.002 518 HA GLU 62 HA GLU 62 -17.541 6.394 1.749 519 1HB GLU 62 HB2 GLU 62 -15.545 5.261 2.635 520 2HB GLU 62 HB1 GLU 62 -14.507 6.327 1.688 521 1HG GLU 62 HG2 GLU 62 -15.312 8.275 2.925 522 2HG GLU 62 HG1 GLU 62 -16.457 7.267 3.815 523 H ASP 63 HN ASP 63 -15.216 7.314 -0.751 524 HA ASP 63 HA ASP 63 -15.136 10.102 -0.233 525 1HB ASP 63 HB2 ASP 63 -14.957 8.631 -2.880 526 2HB ASP 63 HB1 ASP 63 -14.518 10.322 -2.630 527 H GLY 64 HN GLY 64 -17.603 8.108 -1.702 528 1HA GLY 64 HA2 GLY 64 -19.859 8.718 -2.123 529 2HA GLY 64 HA1 GLY 64 -19.458 10.376 -1.662 530 H ASP 65 HN ASP 65 -17.342 8.915 -3.939 531 HA ASP 65 HA ASP 65 -18.349 10.755 -6.036 532 1HB ASP 65 HB2 ASP 65 -16.233 10.294 -7.159 533 2HB ASP 65 HB1 ASP 65 -15.920 10.690 -5.468 534 H GLY 66 HN GLY 66 -18.593 7.477 -5.139 535 1HA GLY 66 HA2 GLY 66 -19.827 5.765 -6.189 536 2HA GLY 66 HA1 GLY 66 -20.157 6.883 -7.510 537 H GLU 67 HN GLU 67 -16.850 6.809 -6.932 538 HA GLU 67 HA GLU 67 -16.369 4.536 -8.815 539 1HB GLU 67 HB2 GLU 67 -15.227 7.335 -9.104 540 2HB GLU 67 HB1 GLU 67 -14.803 5.943 -10.102 541 1HG GLU 67 HG2 GLU 67 -17.601 7.081 -9.849 542 2HG GLU 67 HG1 GLU 67 -16.494 7.439 -11.175 543 H CYS 68 HN CYS 68 -14.260 3.596 -8.557 544 HA CYS 68 HA CYS 68 -12.958 4.329 -5.965 545 1HB CYS 68 HB2 CYS 68 -13.535 1.944 -6.389 546 2HB CYS 68 HB1 CYS 68 -12.449 1.953 -7.770 547 HG CYS 68 HG CYS 68 -10.569 2.719 -5.876 548 H ASP 69 HN ASP 69 -11.291 5.714 -6.070 549 HA ASP 69 HA ASP 69 -9.844 6.152 -8.613 550 1HB ASP 69 HB2 ASP 69 -9.773 7.528 -5.910 551 2HB ASP 69 HB1 ASP 69 -8.731 7.986 -7.258 552 H PHE 70 HN PHE 70 -7.345 6.410 -8.363 553 HA PHE 70 HA PHE 70 -6.234 3.908 -7.581 554 1HB PHE 70 HB2 PHE 70 -5.062 5.274 -9.195 555 2HB PHE 70 HB1 PHE 70 -4.918 6.601 -8.043 556 HD1 PHE 70 HD2 PHE 70 -3.978 3.007 -8.514 557 HD2 PHE 70 HD1 PHE 70 -3.006 6.758 -6.668 558 HE1 PHE 70 HE2 PHE 70 -1.842 2.049 -7.688 559 HE2 PHE 70 HE1 PHE 70 -0.874 5.801 -5.842 560 HZ PHE 70 HZ PHE 70 -0.292 3.444 -6.354 561 H GLN 71 HN GLN 71 -6.107 7.072 -5.914 562 HA GLN 71 HA GLN 71 -4.655 6.155 -3.644 563 1HB GLN 71 HB2 GLN 71 -5.568 8.143 -2.511 564 2HB GLN 71 HB1 GLN 71 -5.029 8.540 -4.141 565 1HG GLN 71 HG2 GLN 71 -7.408 8.203 -4.913 566 2HG GLN 71 HG1 GLN 71 -7.875 8.083 -3.215 567 1HE2 GLN 71 HE22 GLN 71 -8.234 11.590 -3.180 568 2HE2 GLN 71 HE21 GLN 71 -8.959 10.078 -2.919 569 H GLU 72 HN GLU 72 -8.106 6.213 -4.361 570 HA GLU 72 HA GLU 72 -8.989 5.230 -1.805 571 1HB GLU 72 HB2 GLU 72 -10.499 6.348 -3.416 572 2HB GLU 72 HB1 GLU 72 -10.320 4.990 -4.526 573 1HG GLU 72 HG2 GLU 72 -11.359 3.479 -2.943 574 2HG GLU 72 HG1 GLU 72 -11.375 4.726 -1.695 575 H PHE 73 HN PHE 73 -8.058 3.623 -4.837 576 HA PHE 73 HA PHE 73 -8.793 0.977 -4.094 577 1HB PHE 73 HB2 PHE 73 -8.154 1.626 -6.392 578 2HB PHE 73 HB1 PHE 73 -6.491 1.864 -5.862 579 HD1 PHE 73 HD1 PHE 73 -9.148 -0.599 -6.497 580 HD2 PHE 73 HD2 PHE 73 -5.053 -0.047 -5.328 581 HE1 PHE 73 HE1 PHE 73 -8.720 -3.005 -6.857 582 HE2 PHE 73 HE2 PHE 73 -4.627 -2.465 -5.692 583 HZ PHE 73 HZ PHE 73 -6.463 -3.947 -6.462 584 H MET 74 HN MET 74 -5.805 2.825 -3.464 585 HA MET 74 HA MET 74 -4.294 0.691 -2.321 586 1HB MET 74 HB2 MET 74 -3.366 2.962 -2.876 587 2HB MET 74 HB1 MET 74 -4.245 3.618 -1.497 588 1HG MET 74 HG2 MET 74 -2.158 3.216 -0.536 589 2HG MET 74 HG1 MET 74 -2.966 1.695 -0.174 590 1HE MET 74 HE1 MET 74 -1.027 3.706 -2.617 591 2HE MET 74 HE3 MET 74 0.295 3.143 -1.586 592 3HE MET 74 HE2 MET 74 0.217 2.646 -3.274 593 H ALA 75 HN ALA 75 -6.680 2.916 -0.947 594 HA ALA 75 HA ALA 75 -6.425 2.149 1.780 595 1HB ALA 75 HB2 ALA 75 -7.772 4.089 0.734 596 2HB ALA 75 HB1 ALA 75 -9.054 2.899 0.506 597 3HB ALA 75 HB3 ALA 75 -8.475 3.271 2.131 598 H PHE 76 HN PHE 76 -8.326 0.730 -0.878 599 HA PHE 76 HA PHE 76 -9.864 -1.094 0.672 600 1HB PHE 76 HB2 PHE 76 -10.273 -0.685 -1.734 601 2HB PHE 76 HB1 PHE 76 -8.746 -1.473 -2.127 602 HD1 PHE 76 HD1 PHE 76 -12.170 -1.990 -0.837 603 HD2 PHE 76 HD2 PHE 76 -8.498 -3.887 -2.001 604 HE1 PHE 76 HE1 PHE 76 -13.309 -4.196 -0.826 605 HE2 PHE 76 HE2 PHE 76 -9.634 -6.093 -1.985 606 HZ PHE 76 HZ PHE 76 -12.036 -6.247 -1.395 607 H VAL 77 HN VAL 77 -6.643 -1.496 -0.821 608 HA VAL 77 HA VAL 77 -6.232 -4.195 0.001 609 HB VAL 77 HB VAL 77 -4.271 -1.919 -0.448 610 1HG1 VAL 77 HG11 VAL 77 -3.809 -4.856 0.112 611 2HG1 VAL 77 HG13 VAL 77 -2.611 -3.852 -0.705 612 3HG1 VAL 77 HG12 VAL 77 -3.108 -3.465 0.941 613 1HG2 VAL 77 HG22 VAL 77 -5.755 -2.888 -2.348 614 2HG2 VAL 77 HG21 VAL 77 -4.019 -2.786 -2.635 615 3HG2 VAL 77 HG23 VAL 77 -4.756 -4.332 -2.201 616 H SER 78 HN SER 78 -5.551 -1.101 1.617 617 HA SER 78 HA SER 78 -4.339 -2.289 3.942 618 1HB SER 78 HB2 SER 78 -4.524 -0.094 4.947 619 2HB SER 78 HB1 SER 78 -4.067 0.111 3.258 620 HG SER 78 HG SER 78 -6.401 0.777 4.580 621 H MET 79 HN MET 79 -7.677 -1.397 3.109 622 HA MET 79 HA MET 79 -8.804 -1.690 5.699 623 1HB MET 79 HB2 MET 79 -10.012 -0.774 3.701 624 2HB MET 79 HB1 MET 79 -10.137 -2.417 3.079 625 1HG MET 79 HG2 MET 79 -11.375 -3.119 5.078 626 2HG MET 79 HG1 MET 79 -11.219 -1.504 5.763 627 1HE MET 79 HE1 MET 79 -11.713 0.496 4.600 628 2HE MET 79 HE3 MET 79 -13.075 0.787 3.508 629 3HE MET 79 HE2 MET 79 -13.363 0.416 5.204 630 H VAL 80 HN VAL 80 -8.183 -4.139 3.174 631 HA VAL 80 HA VAL 80 -9.464 -6.276 4.614 632 HB VAL 80 HB VAL 80 -7.281 -6.309 2.506 633 1HG1 VAL 80 HG11 VAL 80 -8.735 -8.554 3.924 634 2HG1 VAL 80 HG13 VAL 80 -8.067 -8.773 2.305 635 3HG1 VAL 80 HG12 VAL 80 -7.003 -8.369 3.652 636 1HG2 VAL 80 HG23 VAL 80 -9.667 -5.500 1.972 637 2HG2 VAL 80 HG22 VAL 80 -9.033 -6.809 0.973 638 3HG2 VAL 80 HG21 VAL 80 -10.172 -7.165 2.271 639 H THR 81 HN THR 81 -6.134 -5.058 4.551 640 HA THR 81 HA THR 81 -5.083 -7.137 6.247 641 HB THR 81 HB THR 81 -4.055 -4.322 5.764 642 HG1 THR 81 HG1 THR 81 -3.014 -6.643 4.602 643 1HG2 THR 81 HG23 THR 81 -2.864 -6.790 7.026 644 2HG2 THR 81 HG22 THR 81 -1.849 -5.533 6.321 645 3HG2 THR 81 HG21 THR 81 -2.921 -5.147 7.668 646 H THR 82 HN THR 82 -6.326 -3.857 6.912 647 HA THR 82 HA THR 82 -5.714 -3.814 9.696 648 HB THR 82 HB THR 82 -7.570 -2.113 9.814 649 HG1 THR 82 HG1 THR 82 -8.729 -3.175 8.038 650 1HG2 THR 82 HG23 THR 82 -5.436 -1.936 7.690 651 2HG2 THR 82 HG22 THR 82 -6.415 -0.553 8.177 652 3HG2 THR 82 HG21 THR 82 -5.358 -1.343 9.348 653 H ALA 83 HN ALA 83 -8.559 -5.028 7.953 654 HA ALA 83 HA ALA 83 -10.164 -5.532 10.241 655 1HB ALA 83 HB3 ALA 83 -10.017 -6.892 7.538 656 2HB ALA 83 HB2 ALA 83 -11.250 -7.274 8.741 657 3HB ALA 83 HB1 ALA 83 -11.156 -5.650 8.056 658 H CYS 84 HN CYS 84 -7.708 -7.534 8.614 659 HA CYS 84 HA CYS 84 -7.986 -9.705 10.573 660 1HB CYS 84 HB2 CYS 84 -5.896 -9.185 8.432 661 2HB CYS 84 HB1 CYS 84 -6.022 -10.665 9.384 662 HG CYS 84 HG CYS 84 -7.374 -11.146 7.243 663 H HIS 85 HN HIS 85 -6.698 -9.978 12.401 664 HA HIS 85 HA HIS 85 -5.173 -7.696 13.352 665 1HB HIS 85 HB2 HIS 85 -4.659 -9.109 15.288 666 2HB HIS 85 HB1 HIS 85 -6.360 -9.292 14.875 667 HD1 HIS 85 HD1 HIS 85 -6.653 -11.370 12.937 668 HD2 HIS 85 HD2 HIS 85 -3.532 -11.603 15.691 669 HE1 HIS 85 HE1 HIS 85 -5.968 -13.803 13.039 670 HE2 HIS 85 HE2 HIS 85 -4.063 -13.959 14.702 671 H GLU 86 HN GLU 86 -2.778 -8.058 14.062 672 HA GLU 86 HA GLU 86 -1.182 -8.519 11.791 673 1HB GLU 86 HB2 GLU 86 -0.390 -7.401 13.869 674 2HB GLU 86 HB1 GLU 86 -0.380 -8.963 14.682 675 1HG GLU 86 HG2 GLU 86 1.284 -9.816 13.128 676 2HG GLU 86 HG1 GLU 86 1.219 -8.319 12.196 677 H PHE 87 HN PHE 87 -0.805 -10.376 10.693 678 HA PHE 87 HA PHE 87 -0.466 -12.921 12.162 679 1HB PHE 87 HB2 PHE 87 -2.908 -12.736 11.770 680 2HB PHE 87 HB1 PHE 87 -2.607 -12.568 10.042 681 HD1 PHE 87 HD2 PHE 87 -2.515 -14.865 12.920 682 HD2 PHE 87 HD1 PHE 87 -1.870 -14.452 8.695 683 HE1 PHE 87 HE2 PHE 87 -2.451 -17.335 12.692 684 HE2 PHE 87 HE1 PHE 87 -1.809 -16.916 8.462 685 HZ PHE 87 HZ PHE 87 -2.101 -18.360 10.460 686 H PHE 88 HN PHE 88 1.507 -13.421 11.342 687 HA PHE 88 HA PHE 88 1.713 -13.968 8.457 688 1HB PHE 88 HB2 PHE 88 3.652 -12.575 8.085 689 2HB PHE 88 HB1 PHE 88 2.375 -11.556 8.745 690 HD1 PHE 88 HD1 PHE 88 2.358 -11.382 11.419 691 HD2 PHE 88 HD2 PHE 88 5.779 -12.451 9.048 692 HE1 PHE 88 HE1 PHE 88 3.864 -10.707 13.278 693 HE2 PHE 88 HE2 PHE 88 7.275 -11.783 10.904 694 HZ PHE 88 HZ PHE 88 6.322 -10.913 13.019 695 H GLU 89 HN GLU 89 1.935 -16.149 9.188 696 HA GLU 89 HA GLU 89 4.243 -16.782 10.943 697 1HB GLU 89 HB2 GLU 89 2.032 -18.478 9.749 698 2HB GLU 89 HB1 GLU 89 3.339 -19.131 10.740 699 1HG GLU 89 HG2 GLU 89 2.684 -17.633 12.593 700 2HG GLU 89 HG1 GLU 89 1.373 -16.988 11.603 701 H HIS 90 HN HIS 90 6.176 -17.077 10.007 702 HA HIS 90 HA HIS 90 6.371 -18.611 7.468 703 1HB HIS 90 HB2 HIS 90 6.382 -16.163 6.886 704 2HB HIS 90 HB1 HIS 90 7.809 -15.980 7.903 705 HD1 HIS 90 HD1 HIS 90 10.046 -16.976 7.049 706 HD2 HIS 90 HD2 HIS 90 6.843 -17.603 4.447 707 HE1 HIS 90 HE1 HIS 90 11.045 -17.781 4.866 708 HE2 HIS 90 HE2 HIS 90 9.106 -18.166 3.276 709 H GLU 91 HN GLU 91 8.019 -20.059 7.615 710 HA GLU 91 HA GLU 91 9.729 -19.975 10.031 711 1HB GLU 91 HB2 GLU 91 9.335 -22.057 7.862 712 2HB GLU 91 HB1 GLU 91 10.436 -22.251 9.230 713 1HG GLU 91 HG2 GLU 91 8.546 -21.939 10.790 714 2HG GLU 91 HG1 GLU 91 7.452 -21.751 9.421 715 1H MET 0 HT1 MET 0 -4.362 -13.514 -11.982 716 2H MET 0 HT3 MET 0 -3.893 -14.446 -13.316 717 3H MET 0 HT2 MET 0 -4.694 -15.180 -12.009 718 HA MET 0 HA MET 0 -2.442 -15.754 -11.761 719 1HB MET 0 HB2 MET 0 -1.963 -12.810 -12.295 720 2HB MET 0 HB1 MET 0 -0.717 -13.882 -11.658 721 1HG MET 0 HG2 MET 0 -0.969 -15.350 -13.631 722 2HG MET 0 HG1 MET 0 -2.208 -14.274 -14.277 723 1HE MET 0 HE2 MET 0 -1.874 -11.772 -14.392 724 2HE MET 0 HE1 MET 0 -0.508 -11.116 -15.293 725 3HE MET 0 HE3 MET 0 -1.536 -12.357 -16.021 726 H SER 1 HN SER 1 -0.916 -14.885 -9.813 727 HA SER 1 HA SER 1 -2.755 -13.952 -7.626 728 1HB SER 1 HB2 SER 1 -1.439 -15.413 -6.123 729 2HB SER 1 HB1 SER 1 -2.244 -16.333 -7.386 730 HG SER 1 HG SER 1 -0.118 -16.998 -7.270 731 H GLU 2 HN GLU 2 -0.624 -12.611 -9.428 732 HA GLU 2 HA GLU 2 1.629 -11.945 -7.828 733 1HB GLU 2 HB2 GLU 2 0.206 -10.417 -10.014 734 2HB GLU 2 HB1 GLU 2 1.729 -9.891 -9.297 735 1HG GLU 2 HG2 GLU 2 1.323 -12.625 -10.542 736 2HG GLU 2 HG1 GLU 2 1.996 -11.245 -11.411 737 H LEU 3 HN LEU 3 -1.586 -10.415 -8.039 738 HA LEU 3 HA LEU 3 -1.059 -8.095 -6.539 739 1HB LEU 3 HB2 LEU 3 -3.247 -8.982 -7.722 740 2HB LEU 3 HB1 LEU 3 -3.634 -9.607 -6.129 741 HG LEU 3 HG LEU 3 -4.644 -7.435 -6.302 742 1HD1 LEU 3 HD13 LEU 3 -3.413 -8.018 -4.168 743 2HD1 LEU 3 HD12 LEU 3 -2.089 -7.003 -4.744 744 3HD1 LEU 3 HD11 LEU 3 -3.671 -6.294 -4.434 745 1HD2 LEU 3 HD23 LEU 3 -2.787 -6.774 -8.147 746 2HD2 LEU 3 HD22 LEU 3 -3.699 -5.561 -7.259 747 3HD2 LEU 3 HD21 LEU 3 -2.062 -5.974 -6.753 748 H GLU 4 HN GLU 4 -2.286 -11.225 -5.250 749 HA GLU 4 HA GLU 4 -2.046 -10.401 -2.527 750 1HB GLU 4 HB2 GLU 4 -2.269 -12.783 -1.965 751 2HB GLU 4 HB1 GLU 4 -3.445 -12.302 -3.184 752 1HG GLU 4 HG2 GLU 4 -2.135 -13.304 -4.943 753 2HG GLU 4 HG1 GLU 4 -0.797 -13.625 -3.839 754 H LYS 5 HN LYS 5 0.332 -11.834 -4.731 755 HA LYS 5 HA LYS 5 2.247 -12.606 -2.770 756 1HB LYS 5 HB2 LYS 5 2.443 -13.194 -5.176 757 2HB LYS 5 HB1 LYS 5 2.736 -11.501 -5.556 758 1HG LYS 5 HG2 LYS 5 4.879 -12.589 -5.500 759 2HG LYS 5 HG1 LYS 5 4.778 -11.607 -4.046 760 1HD LYS 5 HD2 LYS 5 4.297 -13.526 -2.681 761 2HD LYS 5 HD1 LYS 5 4.044 -14.543 -4.099 762 1HE LYS 5 HE2 LYS 5 6.658 -13.278 -3.221 763 2HE LYS 5 HE1 LYS 5 6.247 -14.992 -3.153 764 1HZ LYS 5 HZ2 LYS 5 5.776 -14.504 -5.710 765 2HZ LYS 5 HZ1 LYS 5 6.988 -13.346 -5.435 766 3HZ LYS 5 HZ3 LYS 5 7.298 -14.986 -5.132 767 H ALA 6 HN ALA 6 1.651 -9.495 -4.354 768 HA ALA 6 HA ALA 6 3.883 -8.085 -3.309 769 1HB ALA 6 HB2 ALA 6 1.099 -7.096 -3.998 770 2HB ALA 6 HB1 ALA 6 2.477 -6.044 -3.672 771 3HB ALA 6 HB3 ALA 6 2.501 -7.124 -5.067 772 H MET 7 HN MET 7 0.652 -8.688 -1.929 773 HA MET 7 HA MET 7 0.906 -7.005 0.358 774 1HB MET 7 HB2 MET 7 -1.192 -8.208 -0.403 775 2HB MET 7 HB1 MET 7 -0.520 -9.679 0.296 776 1HG MET 7 HG2 MET 7 -0.283 -8.412 2.479 777 2HG MET 7 HG1 MET 7 -1.213 -7.110 1.741 778 1HE MET 7 HE2 MET 7 -3.348 -7.217 0.798 779 2HE MET 7 HE1 MET 7 -3.528 -8.755 -0.043 780 3HE MET 7 HE3 MET 7 -4.663 -8.307 1.237 781 H VAL 8 HN VAL 8 1.902 -10.386 -0.178 782 HA VAL 8 HA VAL 8 2.801 -10.818 2.522 783 HB VAL 8 HB VAL 8 3.466 -12.202 -0.091 784 1HG1 VAL 8 HG11 VAL 8 4.388 -12.775 2.736 785 2HG1 VAL 8 HG13 VAL 8 4.331 -14.031 1.498 786 3HG1 VAL 8 HG12 VAL 8 5.375 -12.626 1.283 787 1HG2 VAL 8 HG23 VAL 8 1.143 -12.354 0.888 788 2HG2 VAL 8 HG22 VAL 8 1.969 -13.908 0.765 789 3HG2 VAL 8 HG21 VAL 8 1.859 -13.087 2.324 790 H ALA 9 HN ALA 9 4.477 -9.696 -0.416 791 HA ALA 9 HA ALA 9 7.097 -9.720 0.707 792 1HB ALA 9 HB2 ALA 9 5.882 -8.007 -1.470 793 2HB ALA 9 HB1 ALA 9 7.594 -7.968 -1.049 794 3HB ALA 9 HB3 ALA 9 6.872 -9.454 -1.663 795 H LEU 10 HN LEU 10 4.645 -7.113 0.640 796 HA LEU 10 HA LEU 10 6.266 -5.130 1.882 797 1HB LEU 10 HB2 LEU 10 4.025 -4.712 0.827 798 2HB LEU 10 HB1 LEU 10 3.270 -5.511 2.200 799 HG LEU 10 HG LEU 10 4.447 -3.813 3.697 800 1HD1 LEU 10 HD13 LEU 10 5.132 -2.704 0.976 801 2HD1 LEU 10 HD12 LEU 10 4.928 -1.622 2.351 802 3HD1 LEU 10 HD11 LEU 10 6.164 -2.876 2.393 803 1HD2 LEU 10 HD21 LEU 10 2.391 -2.937 1.650 804 2HD2 LEU 10 HD23 LEU 10 2.092 -3.573 3.269 805 3HD2 LEU 10 HD22 LEU 10 2.812 -1.978 3.068 806 H ILE 11 HN ILE 11 4.009 -7.491 3.349 807 HA ILE 11 HA ILE 11 4.613 -6.700 6.053 808 HB ILE 11 HB ILE 11 3.465 -9.263 4.918 809 1HG1 ILE 11 HG12 ILE 11 2.121 -6.954 6.357 810 2HG1 ILE 11 HG11 ILE 11 2.189 -7.108 4.601 811 1HG2 ILE 11 HG21 ILE 11 3.829 -8.316 7.766 812 2HG2 ILE 11 HG23 ILE 11 2.630 -9.529 7.329 813 3HG2 ILE 11 HG22 ILE 11 4.342 -9.845 7.059 814 1HD1 ILE 11 HD12 ILE 11 1.120 -9.383 4.847 815 2HD1 ILE 11 HD11 ILE 11 0.874 -9.012 6.553 816 3HD1 ILE 11 HD13 ILE 11 0.085 -8.036 5.316 817 H ASP 12 HN ASP 12 5.829 -9.298 3.956 818 HA ASP 12 HA ASP 12 7.486 -10.584 5.868 819 1HB ASP 12 HB2 ASP 12 6.916 -11.562 3.699 820 2HB ASP 12 HB1 ASP 12 7.857 -10.315 2.880 821 H VAL 13 HN VAL 13 8.347 -8.068 3.492 822 HA VAL 13 HA VAL 13 11.075 -7.833 4.362 823 HB VAL 13 HB VAL 13 9.233 -5.979 2.831 824 1HG1 VAL 13 HG12 VAL 13 12.155 -5.687 3.560 825 2HG1 VAL 13 HG11 VAL 13 11.446 -4.860 2.172 826 3HG1 VAL 13 HG13 VAL 13 10.853 -4.521 3.800 827 1HG2 VAL 13 HG21 VAL 13 9.963 -8.180 1.822 828 2HG2 VAL 13 HG23 VAL 13 10.464 -6.761 0.906 829 3HG2 VAL 13 HG22 VAL 13 11.628 -7.604 1.931 830 H PHE 14 HN PHE 14 8.120 -6.047 5.154 831 HA PHE 14 HA PHE 14 9.307 -4.047 6.759 832 1HB PHE 14 HB2 PHE 14 7.021 -3.789 6.079 833 2HB PHE 14 HB1 PHE 14 6.561 -5.313 6.835 834 HD1 PHE 14 HD1 PHE 14 8.584 -2.376 8.081 835 HD2 PHE 14 HD2 PHE 14 5.129 -4.880 8.638 836 HE1 PHE 14 HE1 PHE 14 8.081 -1.222 10.205 837 HE2 PHE 14 HE2 PHE 14 4.630 -3.702 10.765 838 HZ PHE 14 HZ PHE 14 6.113 -1.879 11.549 839 H HIS 15 HN HIS 15 7.907 -7.175 7.793 840 HA HIS 15 HA HIS 15 8.614 -6.742 10.553 841 1HB HIS 15 HB2 HIS 15 7.775 -9.172 8.970 842 2HB HIS 15 HB1 HIS 15 8.179 -9.275 10.684 843 HD1 HIS 15 HD1 HIS 15 5.842 -7.302 8.392 844 HD2 HIS 15 HD2 HIS 15 6.114 -8.541 12.365 845 HE1 HIS 15 HE1 HIS 15 3.665 -6.626 9.505 846 HE2 HIS 15 HE2 HIS 15 3.829 -7.362 11.926 847 H GLN 16 HN GLN 16 10.198 -8.545 7.922 848 HA GLN 16 HA GLN 16 12.250 -9.670 9.561 849 1HB GLN 16 HB2 GLN 16 11.997 -9.086 6.615 850 2HB GLN 16 HB1 GLN 16 13.514 -9.701 7.272 851 1HG GLN 16 HG2 GLN 16 11.884 -11.470 6.413 852 2HG GLN 16 HG1 GLN 16 12.470 -11.707 8.056 853 1HE2 GLN 16 HE22 GLN 16 8.523 -11.406 7.449 854 2HE2 GLN 16 HE21 GLN 16 9.644 -11.641 6.197 855 H TYR 17 HN TYR 17 12.138 -6.623 7.722 856 HA TYR 17 HA TYR 17 14.838 -5.859 8.452 857 1HB TYR 17 HB2 TYR 17 13.010 -4.982 6.589 858 2HB TYR 17 HB1 TYR 17 12.929 -3.679 7.763 859 HD1 TYR 17 HD2 TYR 17 15.583 -3.311 8.766 860 HD2 TYR 17 HD1 TYR 17 14.376 -4.402 4.784 861 HE1 TYR 17 HE2 TYR 17 17.699 -2.388 7.865 862 HE2 TYR 17 HE1 TYR 17 16.491 -3.480 3.888 863 HH TYR 17 HH TYR 17 18.589 -2.790 4.478 864 H SER 18 HN SER 18 11.620 -5.173 9.784 865 HA SER 18 HA SER 18 12.384 -3.166 11.649 866 1HB SER 18 HB2 SER 18 10.292 -3.651 12.775 867 2HB SER 18 HB1 SER 18 10.033 -3.779 11.039 868 HG SER 18 HG SER 18 9.220 -5.547 12.420 869 H GLY 19 HN GLY 19 12.980 -6.576 11.701 870 1HA GLY 19 HA2 GLY 19 13.224 -6.900 14.552 871 2HA GLY 19 HA1 GLY 19 13.932 -7.962 13.337 872 H ARG 20 HN ARG 20 14.663 -4.524 13.348 873 HA ARG 20 HA ARG 20 17.476 -4.958 13.361 874 1HB ARG 20 HB2 ARG 20 15.754 -2.538 13.913 875 2HB ARG 20 HB1 ARG 20 17.503 -2.446 14.111 876 1HG ARG 20 HG2 ARG 20 16.401 -3.594 11.558 877 2HG ARG 20 HG1 ARG 20 16.377 -1.848 11.779 878 1HD ARG 20 HD2 ARG 20 18.867 -3.536 12.146 879 2HD ARG 20 HD1 ARG 20 18.451 -2.732 10.631 880 HE ARG 20 HE ARG 20 18.340 -0.682 12.471 881 1HH1 ARG 20 HH21 ARG 20 20.611 -3.149 11.665 882 2HH1 ARG 20 HH22 ARG 20 21.993 -2.190 12.076 883 1HH2 ARG 20 HH11 ARG 20 20.134 0.580 13.027 884 2HH2 ARG 20 HH12 ARG 20 21.726 -0.077 12.836 885 H GLU 21 HN GLU 21 15.231 -4.187 16.037 886 HA GLU 21 HA GLU 21 17.153 -5.338 17.940 887 1HB GLU 21 HB2 GLU 21 17.770 -2.863 17.488 888 2HB GLU 21 HB1 GLU 21 16.301 -2.473 18.378 889 1HG GLU 21 HG2 GLU 21 18.017 -2.437 20.009 890 2HG GLU 21 HG1 GLU 21 17.231 -4.000 20.237 891 H GLY 22 HN GLY 22 15.627 -6.720 18.819 892 1HA GLY 22 HA2 GLY 22 13.776 -7.394 20.095 893 2HA GLY 22 HA1 GLY 22 13.794 -5.765 20.758 894 H ASP 23 HN ASP 23 12.817 -4.064 19.121 895 HA ASP 23 HA ASP 23 10.093 -4.742 18.723 896 1HB ASP 23 HB2 ASP 23 9.923 -2.648 17.459 897 2HB ASP 23 HB1 ASP 23 10.918 -2.412 18.896 898 H LYS 24 HN LYS 24 9.071 -5.800 17.121 899 HA LYS 24 HA LYS 24 10.540 -6.329 14.563 900 1HB LYS 24 HB2 LYS 24 9.130 -8.425 14.475 901 2HB LYS 24 HB1 LYS 24 10.338 -8.403 15.759 902 1HG LYS 24 HG2 LYS 24 8.592 -7.652 17.361 903 2HG LYS 24 HG1 LYS 24 7.391 -7.749 16.070 904 1HD LYS 24 HD2 LYS 24 7.896 -10.159 15.795 905 2HD LYS 24 HD1 LYS 24 9.067 -10.056 17.109 906 1HE LYS 24 HE2 LYS 24 6.858 -10.915 17.875 907 2HE LYS 24 HE1 LYS 24 7.310 -9.412 18.680 908 1HZ LYS 24 HZ1 LYS 24 5.664 -9.417 16.226 909 2HZ LYS 24 HZ3 LYS 24 4.964 -9.595 17.759 910 3HZ LYS 24 HZ2 LYS 24 5.836 -8.186 17.385 911 H HIS 25 HN HIS 25 7.860 -4.786 15.941 912 HA HIS 25 HA HIS 25 6.547 -4.627 13.253 913 1HB HIS 25 HB2 HIS 25 4.353 -4.747 14.360 914 2HB HIS 25 HB1 HIS 25 5.298 -6.203 14.678 915 HD1 HIS 25 HD1 HIS 25 6.746 -6.076 17.019 916 HD2 HIS 25 HD2 HIS 25 3.461 -3.525 16.687 917 HE1 HIS 25 HE1 HIS 25 6.147 -5.369 19.375 918 HE2 HIS 25 HE2 HIS 25 4.148 -3.814 19.184 919 H LYS 26 HN LYS 26 8.255 -2.787 15.160 920 HA LYS 26 HA LYS 26 6.518 -0.397 14.719 921 1HB LYS 26 HB2 LYS 26 6.302 -1.207 17.110 922 2HB LYS 26 HB1 LYS 26 8.022 -0.872 17.306 923 1HG LYS 26 HG2 LYS 26 7.602 1.486 16.599 924 2HG LYS 26 HG1 LYS 26 5.877 1.136 16.546 925 1HD LYS 26 HD2 LYS 26 7.433 0.552 19.062 926 2HD LYS 26 HD1 LYS 26 6.925 2.203 18.717 927 1HE LYS 26 HE2 LYS 26 5.023 -0.160 18.744 928 2HE LYS 26 HE1 LYS 26 5.284 0.911 20.119 929 1HZ LYS 26 HZ2 LYS 26 4.750 2.250 17.612 930 2HZ LYS 26 HZ1 LYS 26 3.454 1.329 18.214 931 3HZ LYS 26 HZ3 LYS 26 4.135 2.556 19.166 932 H LEU 27 HN LEU 27 7.670 1.479 14.243 933 HA LEU 27 HA LEU 27 10.628 1.140 13.855 934 1HB LEU 27 HB2 LEU 27 8.787 3.204 12.622 935 2HB LEU 27 HB1 LEU 27 10.466 2.918 12.205 936 HG LEU 27 HG LEU 27 9.084 1.899 10.516 937 1HD1 LEU 27 HD12 LEU 27 11.129 0.653 11.629 938 2HD1 LEU 27 HD11 LEU 27 9.887 -0.488 12.152 939 3HD1 LEU 27 HD13 LEU 27 10.132 -0.169 10.435 940 1HD2 LEU 27 HD22 LEU 27 7.174 1.540 12.471 941 2HD2 LEU 27 HD21 LEU 27 7.136 0.773 10.890 942 3HD2 LEU 27 HD23 LEU 27 7.778 -0.106 12.276 943 H LYS 28 HN LYS 28 11.989 2.510 14.956 944 HA LYS 28 HA LYS 28 10.742 4.514 16.783 945 1HB LYS 28 HB2 LYS 28 13.504 3.255 16.728 946 2HB LYS 28 HB1 LYS 28 13.039 4.548 17.837 947 1HG LYS 28 HG2 LYS 28 11.173 3.126 18.663 948 2HG LYS 28 HG1 LYS 28 11.735 1.819 17.620 949 1HD LYS 28 HD2 LYS 28 13.355 3.123 19.835 950 2HD LYS 28 HD1 LYS 28 12.570 1.549 19.931 951 1HE LYS 28 HE2 LYS 28 14.712 0.898 19.317 952 2HE LYS 28 HE1 LYS 28 13.988 1.079 17.723 953 1HZ LYS 28 HZ3 LYS 28 15.077 3.525 18.789 954 2HZ LYS 28 HZ2 LYS 28 16.238 2.307 18.564 955 3HZ LYS 28 HZ1 LYS 28 15.282 2.819 17.259 956 H LYS 29 HN LYS 29 12.488 6.451 17.109 957 HA LYS 29 HA LYS 29 12.352 8.010 14.735 958 1HB LYS 29 HB2 LYS 29 14.285 8.351 17.049 959 2HB LYS 29 HB1 LYS 29 13.793 9.592 15.898 960 1HG LYS 29 HG2 LYS 29 11.461 9.403 16.672 961 2HG LYS 29 HG1 LYS 29 11.949 8.160 17.826 962 1HD LYS 29 HD2 LYS 29 13.573 9.824 18.809 963 2HD LYS 29 HD1 LYS 29 12.842 11.055 17.781 964 1HE LYS 29 HE2 LYS 29 11.674 11.289 19.809 965 2HE LYS 29 HE1 LYS 29 10.591 10.286 18.845 966 1HZ LYS 29 HZ1 LYS 29 11.901 8.355 19.903 967 2HZ LYS 29 HZ3 LYS 29 12.355 9.503 21.068 968 3HZ LYS 29 HZ2 LYS 29 10.712 9.145 20.825 969 H SER 30 HN SER 30 15.248 6.543 16.247 970 HA SER 30 HA SER 30 17.007 7.199 14.077 971 1HB SER 30 HB2 SER 30 17.236 5.046 16.201 972 2HB SER 30 HB1 SER 30 18.544 5.547 15.133 973 HG SER 30 HG SER 30 18.182 6.566 17.372 974 H GLU 31 HN GLU 31 15.148 4.275 14.845 975 HA GLU 31 HA GLU 31 16.255 2.600 12.841 976 1HB GLU 31 HB2 GLU 31 14.801 1.769 14.659 977 2HB GLU 31 HB1 GLU 31 13.425 2.586 13.922 978 1HG GLU 31 HG2 GLU 31 13.656 1.223 11.897 979 2HG GLU 31 HG1 GLU 31 15.092 0.445 12.564 980 H LEU 32 HN LEU 32 13.515 4.886 12.645 981 HA LEU 32 HA LEU 32 12.676 4.101 10.050 982 1HB LEU 32 HB2 LEU 32 11.686 5.852 11.830 983 2HB LEU 32 HB1 LEU 32 12.506 7.006 10.782 984 HG LEU 32 HG LEU 32 10.508 4.922 9.841 985 1HD1 LEU 32 HD13 LEU 32 10.225 7.899 10.326 986 2HD1 LEU 32 HD12 LEU 32 9.039 6.916 9.465 987 3HD1 LEU 32 HD11 LEU 32 9.376 6.603 11.168 988 1HD2 LEU 32 HD21 LEU 32 12.140 7.054 8.463 989 2HD2 LEU 32 HD23 LEU 32 11.868 5.377 7.981 990 3HD2 LEU 32 HD22 LEU 32 10.583 6.566 7.792 991 H LYS 33 HN LYS 33 15.145 6.494 11.022 992 HA LYS 33 HA LYS 33 15.707 7.482 8.406 993 1HB LYS 33 HB2 LYS 33 16.564 8.537 10.467 994 2HB LYS 33 HB1 LYS 33 17.607 7.149 10.749 995 1HG LYS 33 HG2 LYS 33 17.834 8.465 8.060 996 2HG LYS 33 HG1 LYS 33 18.441 9.385 9.430 997 1HD LYS 33 HD2 LYS 33 19.302 6.522 9.332 998 2HD LYS 33 HD1 LYS 33 19.949 7.559 8.066 999 1HE LYS 33 HE2 LYS 33 21.458 7.546 9.998 1000 2HE LYS 33 HE1 LYS 33 20.752 9.149 9.799 1001 1HZ LYS 33 HZ3 LYS 33 19.227 7.349 11.472 1002 2HZ LYS 33 HZ2 LYS 33 20.750 7.773 12.091 1003 3HZ LYS 33 HZ1 LYS 33 19.624 8.983 11.704 1004 H GLU 34 HN GLU 34 17.108 4.732 10.177 1005 HA GLU 34 HA GLU 34 19.042 4.005 8.223 1006 1HB GLU 34 HB2 GLU 34 19.058 3.116 10.524 1007 2HB GLU 34 HB1 GLU 34 17.566 2.237 10.202 1008 1HG GLU 34 HG2 GLU 34 19.469 0.721 9.986 1009 2HG GLU 34 HG1 GLU 34 18.747 0.966 8.399 1010 H LEU 35 HN LEU 35 15.634 3.073 8.574 1011 HA LEU 35 HA LEU 35 15.577 1.081 6.548 1012 1HB LEU 35 HB2 LEU 35 13.758 1.874 8.299 1013 2HB LEU 35 HB1 LEU 35 13.223 2.914 6.983 1014 HG LEU 35 HG LEU 35 13.570 -0.098 6.776 1015 1HD1 LEU 35 HD13 LEU 35 11.673 0.833 8.281 1016 2HD1 LEU 35 HD12 LEU 35 10.955 1.391 6.775 1017 3HD1 LEU 35 HD11 LEU 35 11.235 -0.327 7.026 1018 1HD2 LEU 35 HD21 LEU 35 12.705 2.069 4.862 1019 2HD2 LEU 35 HD23 LEU 35 13.784 0.703 4.589 1020 3HD2 LEU 35 HD22 LEU 35 12.048 0.439 4.692 1021 H ILE 36 HN ILE 36 14.867 4.573 6.308 1022 HA ILE 36 HA ILE 36 14.268 4.586 3.530 1023 HB ILE 36 HB ILE 36 15.403 6.772 5.293 1024 1HG1 ILE 36 HG12 ILE 36 12.564 6.253 4.346 1025 2HG1 ILE 36 HG11 ILE 36 13.175 5.781 5.932 1026 1HG2 ILE 36 HG22 ILE 36 14.237 6.842 2.503 1027 2HG2 ILE 36 HG21 ILE 36 14.401 8.274 3.513 1028 3HG2 ILE 36 HG23 ILE 36 15.836 7.385 3.007 1029 1HD1 ILE 36 HD12 ILE 36 13.827 8.226 6.268 1030 2HD1 ILE 36 HD11 ILE 36 12.882 8.582 4.822 1031 3HD1 ILE 36 HD13 ILE 36 12.095 7.896 6.243 1032 H ASN 37 HN ASN 37 17.399 5.072 5.190 1033 HA ASN 37 HA ASN 37 18.855 5.766 2.839 1034 1HB ASN 37 HB2 ASN 37 19.650 6.007 5.235 1035 2HB ASN 37 HB1 ASN 37 19.989 4.276 5.213 1036 1HD2 ASN 37 HD22 ASN 37 22.305 6.781 2.915 1037 2HD2 ASN 37 HD21 ASN 37 20.771 7.300 3.423 1038 H ASN 38 HN ASN 38 18.194 2.586 4.306 1039 HA ASN 38 HA ASN 38 19.912 1.161 2.490 1040 1HB ASN 38 HB2 ASN 38 17.560 0.158 4.108 1041 2HB ASN 38 HB1 ASN 38 18.787 -0.848 3.335 1042 1HD2 ASN 38 HD22 ASN 38 21.386 0.389 5.626 1043 2HD2 ASN 38 HD21 ASN 38 21.179 0.173 3.955 1044 H GLU 39 HN GLU 39 16.316 0.911 2.608 1045 HA GLU 39 HA GLU 39 16.393 0.054 -0.213 1046 1HB GLU 39 HB2 GLU 39 14.119 0.201 1.766 1047 2HB GLU 39 HB1 GLU 39 14.001 -0.466 0.136 1048 1HG GLU 39 HG2 GLU 39 15.906 -2.019 0.738 1049 2HG GLU 39 HG1 GLU 39 15.741 -1.461 2.402 1050 H LEU 40 HN LEU 40 13.845 2.081 1.232 1051 HA LEU 40 HA LEU 40 13.333 3.409 -1.225 1052 1HB LEU 40 HB2 LEU 40 11.891 3.212 0.967 1053 2HB LEU 40 HB1 LEU 40 12.695 4.711 1.411 1054 HG LEU 40 HG LEU 40 10.587 5.235 0.321 1055 1HD1 LEU 40 HD12 LEU 40 12.722 6.575 -0.179 1056 2HD1 LEU 40 HD11 LEU 40 12.701 5.784 -1.756 1057 3HD1 LEU 40 HD13 LEU 40 11.351 6.804 -1.264 1058 1HD2 LEU 40 HD21 LEU 40 10.838 2.952 -1.108 1059 2HD2 LEU 40 HD23 LEU 40 9.798 4.278 -1.614 1060 3HD2 LEU 40 HD22 LEU 40 11.399 4.096 -2.327 1061 H SER 41 HN SER 41 14.962 4.502 -2.201 1062 HA SER 41 HA SER 41 15.812 7.017 -0.972 1063 1HB SER 41 HB2 SER 41 17.506 5.595 0.005 1064 2HB SER 41 HB1 SER 41 17.785 4.791 -1.537 1065 HG SER 41 HG SER 41 18.418 6.888 -2.346 1066 H HIS 42 HN HIS 42 15.381 4.903 -3.640 1067 HA HIS 42 HA HIS 42 16.898 6.254 -5.636 1068 1HB HIS 42 HB2 HIS 42 15.558 3.986 -5.719 1069 2HB HIS 42 HB1 HIS 42 14.218 4.997 -6.256 1070 HD1 HIS 42 HD1 HIS 42 17.680 3.882 -7.244 1071 HD2 HIS 42 HD2 HIS 42 14.486 5.993 -8.901 1072 HE1 HIS 42 HE1 HIS 42 18.211 4.171 -9.710 1073 HE2 HIS 42 HE2 HIS 42 16.269 5.446 -10.727 1074 H PHE 43 HN PHE 43 13.451 6.646 -4.724 1075 HA PHE 43 HA PHE 43 13.030 8.828 -6.554 1076 1HB PHE 43 HB2 PHE 43 11.454 7.871 -4.159 1077 2HB PHE 43 HB1 PHE 43 10.940 9.224 -5.167 1078 HD1 PHE 43 HD2 PHE 43 10.322 8.901 -7.512 1079 HD2 PHE 43 HD1 PHE 43 11.424 5.577 -5.022 1080 HE1 PHE 43 HE2 PHE 43 9.403 7.334 -9.200 1081 HE2 PHE 43 HE1 PHE 43 10.505 4.010 -6.714 1082 HZ PHE 43 HZ PHE 43 9.498 4.886 -8.801 1083 H LEU 44 HN LEU 44 13.859 8.734 -3.097 1084 HA LEU 44 HA LEU 44 13.979 11.722 -3.096 1085 1HB LEU 44 HB2 LEU 44 14.124 9.736 -0.807 1086 2HB LEU 44 HB1 LEU 44 14.078 11.492 -0.649 1087 HG LEU 44 HG LEU 44 11.921 9.827 -1.976 1088 1HD1 LEU 44 HD12 LEU 44 11.980 11.136 0.757 1089 2HD1 LEU 44 HD11 LEU 44 10.581 10.342 0.034 1090 3HD1 LEU 44 HD13 LEU 44 12.017 9.401 0.437 1091 1HD2 LEU 44 HD23 LEU 44 12.367 12.771 -1.591 1092 2HD2 LEU 44 HD22 LEU 44 11.599 11.914 -2.924 1093 3HD2 LEU 44 HD21 LEU 44 10.713 12.174 -1.425 1094 H GLU 45 HN GLU 45 15.955 12.607 -3.425 1095 HA GLU 45 HA GLU 45 18.396 10.989 -2.776 1096 1HB GLU 45 HB2 GLU 45 17.983 13.303 -4.698 1097 2HB GLU 45 HB1 GLU 45 19.549 12.579 -4.335 1098 1HG GLU 45 HG2 GLU 45 18.857 10.448 -5.218 1099 2HG GLU 45 HG1 GLU 45 17.187 10.998 -5.377 1100 H GLU 46 HN GLU 46 16.533 13.332 -1.393 1101 HA GLU 46 HA GLU 46 18.715 15.142 -0.621 1102 1HB GLU 46 HB2 GLU 46 17.020 16.337 0.678 1103 2HB GLU 46 HB1 GLU 46 16.452 16.044 -0.962 1104 1HG GLU 46 HG2 GLU 46 15.341 13.910 0.033 1105 2HG GLU 46 HG1 GLU 46 15.598 14.689 1.595 1106 H ILE 47 HN ILE 47 17.424 15.363 2.153 1107 HA ILE 47 HA ILE 47 17.895 14.563 4.300 1108 HB ILE 47 HB ILE 47 18.384 11.835 3.083 1109 1HG1 ILE 47 HG12 ILE 47 15.753 13.256 3.600 1110 2HG1 ILE 47 HG11 ILE 47 16.315 12.552 2.086 1111 1HG2 ILE 47 HG23 ILE 47 18.809 12.316 5.538 1112 2HG2 ILE 47 HG22 ILE 47 17.083 12.638 5.697 1113 3HG2 ILE 47 HG21 ILE 47 17.638 11.034 5.222 1114 1HD1 ILE 47 HD12 ILE 47 16.377 10.306 3.340 1115 2HD1 ILE 47 HD11 ILE 47 15.424 11.116 4.584 1116 3HD1 ILE 47 HD13 ILE 47 14.789 10.964 2.945 1117 H LYS 48 HN LYS 48 19.865 15.878 4.108 1118 HA LYS 48 HA LYS 48 22.375 14.303 3.690 1119 1HB LYS 48 HB2 LYS 48 22.104 16.285 2.251 1120 2HB LYS 48 HB1 LYS 48 21.897 17.297 3.673 1121 1HG LYS 48 HG2 LYS 48 24.190 17.476 2.831 1122 2HG LYS 48 HG1 LYS 48 24.192 16.710 4.413 1123 1HD LYS 48 HD2 LYS 48 24.648 14.577 3.529 1124 2HD LYS 48 HD1 LYS 48 24.111 15.031 1.911 1125 1HE LYS 48 HE2 LYS 48 26.531 14.921 1.903 1126 2HE LYS 48 HE1 LYS 48 26.073 16.618 1.798 1127 1HZ LYS 48 HZ3 LYS 48 26.440 15.466 4.459 1128 2HZ LYS 48 HZ2 LYS 48 27.835 15.773 3.536 1129 3HZ LYS 48 HZ1 LYS 48 26.761 17.037 3.903 1130 H GLU 49 HN GLU 49 20.522 16.103 6.027 1131 HA GLU 49 HA GLU 49 22.666 15.590 8.069 1132 1HB GLU 49 HB2 GLU 49 20.899 18.040 7.802 1133 2HB GLU 49 HB1 GLU 49 21.965 17.711 9.164 1134 1HG GLU 49 HG2 GLU 49 22.899 17.917 6.291 1135 2HG GLU 49 HG1 GLU 49 22.988 19.237 7.456 1136 H GLN 50 HN GLN 50 21.852 15.254 10.215 1137 HA GLN 50 HA GLN 50 19.496 13.644 10.334 1138 1HB GLN 50 HB2 GLN 50 21.075 14.992 12.553 1139 2HB GLN 50 HB1 GLN 50 19.842 13.757 12.812 1140 1HG GLN 50 HG2 GLN 50 21.930 12.588 12.799 1141 2HG GLN 50 HG1 GLN 50 21.198 12.275 11.223 1142 1HE2 GLN 50 HE22 GLN 50 23.846 13.776 9.464 1143 2HE2 GLN 50 HE21 GLN 50 22.461 12.795 9.425 1144 H GLU 51 HN GLU 51 20.076 17.082 10.843 1145 HA GLU 51 HA GLU 51 17.659 17.727 12.215 1146 1HB GLU 51 HB2 GLU 51 19.308 19.363 10.262 1147 2HB GLU 51 HB1 GLU 51 17.951 20.013 11.180 1148 1HG GLU 51 HG2 GLU 51 19.867 20.544 12.473 1149 2HG GLU 51 HG1 GLU 51 19.154 19.146 13.277 1150 H VAL 52 HN VAL 52 18.366 17.347 8.758 1151 HA VAL 52 HA VAL 52 15.859 18.268 7.768 1152 HB VAL 52 HB VAL 52 17.788 16.181 6.707 1153 1HG1 VAL 52 HG12 VAL 52 15.272 17.349 5.498 1154 2HG1 VAL 52 HG11 VAL 52 16.547 16.634 4.514 1155 3HG1 VAL 52 HG13 VAL 52 15.687 15.646 5.694 1156 1HG2 VAL 52 HG21 VAL 52 17.245 19.085 5.989 1157 2HG2 VAL 52 HG23 VAL 52 18.680 18.463 6.801 1158 3HG2 VAL 52 HG22 VAL 52 18.361 18.029 5.121 1159 H VAL 53 HN VAL 53 16.867 15.034 8.904 1160 HA VAL 53 HA VAL 53 14.460 13.668 8.222 1161 HB VAL 53 HB VAL 53 16.437 13.167 10.464 1162 1HG1 VAL 53 HG11 VAL 53 13.947 11.685 9.632 1163 2HG1 VAL 53 HG13 VAL 53 15.315 10.794 10.304 1164 3HG1 VAL 53 HG12 VAL 53 14.528 12.053 11.255 1165 1HG2 VAL 53 HG23 VAL 53 15.983 11.860 7.760 1166 2HG2 VAL 53 HG22 VAL 53 17.351 12.879 8.205 1167 3HG2 VAL 53 HG21 VAL 53 17.148 11.300 8.964 1168 H ASP 54 HN ASP 54 15.357 15.522 11.110 1169 HA ASP 54 HA ASP 54 13.102 14.875 12.705 1170 1HB ASP 54 HB2 ASP 54 15.087 16.115 13.533 1171 2HB ASP 54 HB1 ASP 54 14.602 17.512 12.572 1172 H LYS 55 HN LYS 55 13.545 17.425 10.252 1173 HA LYS 55 HA LYS 55 10.982 18.644 10.622 1174 1HB LYS 55 HB2 LYS 55 12.819 19.706 9.311 1175 2HB LYS 55 HB1 LYS 55 12.614 18.468 8.071 1176 1HG LYS 55 HG2 LYS 55 10.402 19.222 7.544 1177 2HG LYS 55 HG1 LYS 55 10.338 20.238 8.982 1178 1HD LYS 55 HD2 LYS 55 10.736 21.614 6.988 1179 2HD LYS 55 HD1 LYS 55 12.141 21.663 8.049 1180 1HE LYS 55 HE2 LYS 55 12.653 21.344 5.579 1181 2HE LYS 55 HE1 LYS 55 13.356 20.136 6.649 1182 1HZ LYS 55 HZ1 LYS 55 10.692 19.577 5.621 1183 2HZ LYS 55 HZ3 LYS 55 11.955 19.524 4.490 1184 3HZ LYS 55 HZ2 LYS 55 12.005 18.525 5.863 1185 H VAL 56 HN VAL 56 12.103 15.951 8.614 1186 HA VAL 56 HA VAL 56 9.570 15.550 7.305 1187 HB VAL 56 HB VAL 56 11.930 13.705 7.751 1188 1HG1 VAL 56 HG12 VAL 56 9.337 13.327 6.258 1189 2HG1 VAL 56 HG11 VAL 56 10.802 12.488 5.745 1190 3HG1 VAL 56 HG13 VAL 56 10.147 12.214 7.361 1191 1HG2 VAL 56 HG21 VAL 56 10.999 15.442 5.443 1192 2HG2 VAL 56 HG23 VAL 56 12.510 15.570 6.343 1193 3HG2 VAL 56 HG22 VAL 56 12.236 14.196 5.273 1194 H MET 57 HN MET 57 11.080 14.146 10.207 1195 HA MET 57 HA MET 57 9.108 12.169 10.734 1196 1HB MET 57 HB2 MET 57 11.342 12.384 11.885 1197 2HB MET 57 HB1 MET 57 10.670 13.728 12.809 1198 1HG MET 57 HG2 MET 57 10.472 11.702 14.135 1199 2HG MET 57 HG1 MET 57 8.858 12.193 13.622 1200 1HE MET 57 HE2 MET 57 9.859 9.385 14.716 1201 2HE MET 57 HE1 MET 57 8.166 9.692 14.338 1202 3HE MET 57 HE3 MET 57 8.968 8.245 13.708 1203 H GLU 58 HN GLU 58 9.218 15.599 11.695 1204 HA GLU 58 HA GLU 58 6.935 15.519 13.411 1205 1HB GLU 58 HB2 GLU 58 8.120 17.752 11.738 1206 2HB GLU 58 HB1 GLU 58 6.785 17.999 12.866 1207 1HG GLU 58 HG2 GLU 58 8.177 17.127 14.708 1208 2HG GLU 58 HG1 GLU 58 9.514 16.884 13.583 1209 H THR 59 HN THR 59 7.205 16.064 9.915 1210 HA THR 59 HA THR 59 4.392 16.597 9.507 1211 HB THR 59 HB THR 59 6.523 15.645 7.566 1212 HG1 THR 59 HG1 THR 59 7.036 17.606 8.544 1213 1HG2 THR 59 HG22 THR 59 3.724 16.709 7.211 1214 2HG2 THR 59 HG21 THR 59 4.944 16.947 5.961 1215 3HG2 THR 59 HG23 THR 59 4.482 15.315 6.440 1216 H LEU 60 HN LEU 60 6.406 13.677 9.267 1217 HA LEU 60 HA LEU 60 4.307 11.994 8.245 1218 1HB LEU 60 HB2 LEU 60 6.695 11.393 8.064 1219 2HB LEU 60 HB1 LEU 60 6.790 11.254 9.817 1220 HG LEU 60 HG LEU 60 5.120 9.433 9.772 1221 1HD1 LEU 60 HD12 LEU 60 5.072 10.130 6.845 1222 2HD1 LEU 60 HD11 LEU 60 4.771 8.463 7.337 1223 3HD1 LEU 60 HD13 LEU 60 3.732 9.757 7.930 1224 1HD2 LEU 60 HD21 LEU 60 7.562 9.161 8.005 1225 2HD2 LEU 60 HD23 LEU 60 7.393 8.706 9.700 1226 3HD2 LEU 60 HD22 LEU 60 6.562 7.780 8.452 1227 H ASP 61 HN ASP 61 5.457 12.708 11.539 1228 HA ASP 61 HA ASP 61 3.681 10.781 12.761 1229 1HB ASP 61 HB2 ASP 61 5.708 11.592 13.907 1230 2HB ASP 61 HB1 ASP 61 5.010 13.210 14.004 1231 H GLU 62 HN GLU 62 1.922 11.750 11.203 1232 HA GLU 62 HA GLU 62 0.582 14.170 12.050 1233 1HB GLU 62 HB2 GLU 62 0.273 13.287 9.778 1234 2HB GLU 62 HB1 GLU 62 -0.437 11.812 10.429 1235 1HG GLU 62 HG2 GLU 62 -2.301 13.085 11.375 1236 2HG GLU 62 HG1 GLU 62 -1.574 14.596 10.832 1237 H ASP 63 HN ASP 63 0.307 10.753 12.866 1238 HA ASP 63 HA ASP 63 -2.156 10.865 14.281 1239 1HB ASP 63 HB2 ASP 63 0.279 9.129 14.786 1240 2HB ASP 63 HB1 ASP 63 -1.316 8.858 15.489 1241 H GLY 64 HN GLY 64 1.068 11.903 15.149 1242 1HA GLY 64 HA2 GLY 64 1.659 13.356 16.935 1243 2HA GLY 64 HA1 GLY 64 -0.005 13.255 17.519 1244 H ASP 65 HN ASP 65 1.474 10.244 16.796 1245 HA ASP 65 HA ASP 65 1.537 9.599 19.689 1246 1HB ASP 65 HB2 ASP 65 1.690 7.275 18.956 1247 2HB ASP 65 HB1 ASP 65 0.388 8.079 18.083 1248 H GLY 66 HN GLY 66 3.693 10.530 17.222 1249 1HA GLY 66 HA2 GLY 66 6.016 10.897 17.399 1250 2HA GLY 66 HA1 GLY 66 5.947 10.250 19.037 1251 H GLU 67 HN GLU 67 4.487 8.097 16.915 1252 HA GLU 67 HA GLU 67 7.029 6.637 16.321 1253 1HB GLU 67 HB2 GLU 67 4.588 5.429 17.660 1254 2HB GLU 67 HB1 GLU 67 6.016 4.538 17.138 1255 1HG GLU 67 HG2 GLU 67 6.054 6.787 19.172 1256 2HG GLU 67 HG1 GLU 67 6.032 5.074 19.583 1257 H CYS 68 HN CYS 68 6.828 5.241 14.468 1258 HA CYS 68 HA CYS 68 4.425 5.860 12.794 1259 1HB CYS 68 HB2 CYS 68 6.630 6.196 11.756 1260 2HB CYS 68 HB1 CYS 68 7.035 4.514 12.056 1261 HG CYS 68 HG CYS 68 4.806 5.427 10.070 1262 H ASP 69 HN ASP 69 2.800 4.429 12.855 1263 HA ASP 69 HA ASP 69 3.240 1.674 13.827 1264 1HB ASP 69 HB2 ASP 69 0.754 3.253 13.116 1265 2HB ASP 69 HB1 ASP 69 0.717 1.569 13.641 1266 H PHE 70 HN PHE 70 1.984 -0.104 12.552 1267 HA PHE 70 HA PHE 70 3.100 -0.334 9.941 1268 1HB PHE 70 HB2 PHE 70 2.424 -2.327 11.140 1269 2HB PHE 70 HB1 PHE 70 0.757 -1.765 11.226 1270 HD1 PHE 70 HD2 PHE 70 3.433 -2.639 8.741 1271 HD2 PHE 70 HD1 PHE 70 -0.780 -2.364 9.549 1272 HE1 PHE 70 HE2 PHE 70 2.943 -3.726 6.564 1273 HE2 PHE 70 HE1 PHE 70 -1.267 -3.452 7.374 1274 HZ PHE 70 HZ PHE 70 0.592 -4.129 5.884 1275 H GLN 71 HN GLN 71 -0.251 0.465 10.922 1276 HA GLN 71 HA GLN 71 -1.244 0.840 8.279 1277 1HB GLN 71 HB2 GLN 71 -3.051 2.110 9.351 1278 2HB GLN 71 HB1 GLN 71 -2.681 0.670 10.298 1279 1HG GLN 71 HG2 GLN 71 -1.163 2.111 11.721 1280 2HG GLN 71 HG1 GLN 71 -1.818 3.515 10.875 1281 1HE2 GLN 71 HE22 GLN 71 -4.335 3.594 13.357 1282 2HE2 GLN 71 HE21 GLN 71 -3.019 4.399 12.650 1283 H GLU 72 HN GLU 72 0.350 3.042 10.537 1284 HA GLU 72 HA GLU 72 0.113 5.403 8.914 1285 1HB GLU 72 HB2 GLU 72 0.661 5.477 11.331 1286 2HB GLU 72 HB1 GLU 72 2.205 4.690 11.002 1287 1HG GLU 72 HG2 GLU 72 2.965 6.566 9.684 1288 2HG GLU 72 HG1 GLU 72 1.371 7.318 9.746 1289 H PHE 73 HN PHE 73 2.583 2.854 9.148 1290 HA PHE 73 HA PHE 73 4.511 4.046 7.416 1291 1HB PHE 73 HB2 PHE 73 5.003 2.093 8.833 1292 2HB PHE 73 HB1 PHE 73 3.917 1.101 7.862 1293 HD1 PHE 73 HD1 PHE 73 7.128 2.908 7.931 1294 HD2 PHE 73 HD2 PHE 73 4.559 0.357 5.620 1295 HE1 PHE 73 HE1 PHE 73 8.988 2.446 6.371 1296 HE2 PHE 73 HE2 PHE 73 6.435 -0.112 4.059 1297 HZ PHE 73 HZ PHE 73 8.653 0.932 4.437 1298 H MET 74 HN MET 74 1.664 2.029 6.692 1299 HA MET 74 HA MET 74 2.153 1.700 3.896 1300 1HB MET 74 HB2 MET 74 0.335 0.516 5.174 1301 2HB MET 74 HB1 MET 74 -0.547 2.037 5.265 1302 1HG MET 74 HG2 MET 74 -1.523 1.043 3.390 1303 2HG MET 74 HG1 MET 74 -0.271 2.027 2.640 1304 1HE MET 74 HE1 MET 74 -1.072 -1.277 4.293 1305 2HE MET 74 HE3 MET 74 -1.833 -1.411 2.700 1306 3HE MET 74 HE2 MET 74 -0.511 -2.488 3.145 1307 H ALA 75 HN ALA 75 0.615 4.297 5.756 1308 HA ALA 75 HA ALA 75 -0.277 5.874 3.558 1309 1HB ALA 75 HB1 ALA 75 -0.814 6.177 6.043 1310 2HB ALA 75 HB3 ALA 75 0.735 7.009 6.172 1311 3HB ALA 75 HB2 ALA 75 -0.526 7.650 5.121 1312 H PHE 76 HN PHE 76 2.892 5.725 5.185 1313 HA PHE 76 HA PHE 76 4.070 7.996 3.935 1314 1HB PHE 76 HB2 PHE 76 5.158 6.769 5.780 1315 2HB PHE 76 HB1 PHE 76 5.385 5.380 4.723 1316 HD1 PHE 76 HD1 PHE 76 6.400 8.860 5.394 1317 HD2 PHE 76 HD2 PHE 76 7.089 5.373 2.987 1318 HE1 PHE 76 HE1 PHE 76 8.522 9.849 4.586 1319 HE2 PHE 76 HE2 PHE 76 9.218 6.367 2.171 1320 HZ PHE 76 HZ PHE 76 9.931 8.599 2.969 1321 H VAL 77 HN VAL 77 3.951 4.586 2.868 1322 HA VAL 77 HA VAL 77 5.451 4.945 0.471 1323 HB VAL 77 HB VAL 77 3.224 3.011 1.177 1324 1HG1 VAL 77 HG11 VAL 77 4.905 3.268 -1.317 1325 2HG1 VAL 77 HG13 VAL 77 4.291 1.695 -0.804 1326 3HG1 VAL 77 HG12 VAL 77 3.168 3.000 -1.179 1327 1HG2 VAL 77 HG22 VAL 77 6.243 2.743 1.012 1328 2HG2 VAL 77 HG21 VAL 77 5.283 2.778 2.492 1329 3HG2 VAL 77 HG23 VAL 77 5.130 1.423 1.375 1330 H SER 78 HN SER 78 1.982 5.276 1.149 1331 HA SER 78 HA SER 78 1.251 5.880 -1.570 1332 1HB SER 78 HB2 SER 78 -0.897 6.509 -0.661 1333 2HB SER 78 HB1 SER 78 -0.331 5.085 0.208 1334 HG SER 78 HG SER 78 -0.806 6.375 1.843 1335 H MET 79 HN MET 79 2.232 7.870 1.196 1336 HA MET 79 HA MET 79 1.527 10.398 0.109 1337 1HB MET 79 HB2 MET 79 2.301 9.990 2.465 1338 2HB MET 79 HB1 MET 79 3.943 9.804 1.842 1339 1HG MET 79 HG2 MET 79 3.842 12.080 0.883 1340 2HG MET 79 HG1 MET 79 2.205 12.268 1.508 1341 1HE MET 79 HE3 MET 79 1.604 13.119 3.653 1342 2HE MET 79 HE2 MET 79 1.818 11.464 4.218 1343 3HE MET 79 HE1 MET 79 2.460 12.799 5.170 1344 H VAL 80 HN VAL 80 4.499 8.465 -0.304 1345 HA VAL 80 HA VAL 80 5.884 10.481 -1.807 1346 HB VAL 80 HB VAL 80 6.184 7.461 -1.747 1347 1HG1 VAL 80 HG11 VAL 80 7.687 9.597 -3.265 1348 2HG1 VAL 80 HG13 VAL 80 8.520 8.137 -2.734 1349 3HG1 VAL 80 HG12 VAL 80 7.140 8.017 -3.826 1350 1HG2 VAL 80 HG22 VAL 80 6.687 8.827 0.326 1351 2HG2 VAL 80 HG21 VAL 80 8.060 7.911 -0.297 1352 3HG2 VAL 80 HG23 VAL 80 7.947 9.647 -0.597 1353 H THR 81 HN THR 81 3.756 7.801 -2.752 1354 HA THR 81 HA THR 81 4.091 8.195 -5.586 1355 HB THR 81 HB THR 81 1.770 6.969 -4.069 1356 HG1 THR 81 HG1 THR 81 4.185 5.932 -5.125 1357 1HG2 THR 81 HG23 THR 81 2.645 6.856 -6.965 1358 2HG2 THR 81 HG22 THR 81 1.462 5.754 -6.260 1359 3HG2 THR 81 HG21 THR 81 1.121 7.482 -6.336 1360 H THR 82 HN THR 82 1.691 9.394 -3.234 1361 HA THR 82 HA THR 82 0.004 10.682 -5.134 1362 HB THR 82 HB THR 82 -0.692 12.123 -3.169 1363 HG1 THR 82 HG1 THR 82 1.448 10.679 -2.074 1364 1HG2 THR 82 HG23 THR 82 -1.771 9.956 -3.722 1365 2HG2 THR 82 HG22 THR 82 -0.616 9.137 -2.672 1366 3HG2 THR 82 HG21 THR 82 -1.769 10.281 -1.989 1367 H ALA 83 HN ALA 83 2.886 11.824 -3.413 1368 HA ALA 83 HA ALA 83 2.700 14.550 -4.198 1369 1HB ALA 83 HB2 ALA 83 5.022 12.744 -3.519 1370 2HB ALA 83 HB1 ALA 83 5.280 14.426 -3.983 1371 3HB ALA 83 HB3 ALA 83 4.324 14.042 -2.552 1372 H CYS 84 HN CYS 84 4.168 11.737 -5.812 1373 HA CYS 84 HA CYS 84 4.945 13.309 -8.164 1374 1HB CYS 84 HB2 CYS 84 4.836 10.311 -7.693 1375 2HB CYS 84 HB1 CYS 84 5.534 11.088 -9.110 1376 HG CYS 84 HG CYS 84 6.689 11.643 -6.261 1377 H HIS 85 HN HIS 85 3.727 13.495 -10.060 1378 HA HIS 85 HA HIS 85 0.906 12.802 -9.940 1379 1HB HIS 85 HB2 HIS 85 0.790 13.699 -12.215 1380 2HB HIS 85 HB1 HIS 85 1.762 14.777 -11.216 1381 HD1 HIS 85 HD1 HIS 85 4.502 13.852 -11.273 1382 HD2 HIS 85 HD2 HIS 85 2.068 13.292 -14.618 1383 HE1 HIS 85 HE1 HIS 85 6.058 13.439 -13.232 1384 HE2 HIS 85 HE2 HIS 85 4.591 13.131 -15.278 1385 H GLU 86 HN GLU 86 -0.076 11.439 -11.817 1386 HA GLU 86 HA GLU 86 0.863 8.792 -11.660 1387 1HB GLU 86 HB2 GLU 86 -1.385 9.450 -12.522 1388 2HB GLU 86 HB1 GLU 86 -0.617 10.031 -13.999 1389 1HG GLU 86 HG2 GLU 86 0.242 7.778 -14.469 1390 2HG GLU 86 HG1 GLU 86 -0.462 7.183 -12.964 1391 H PHE 87 HN PHE 87 2.710 7.914 -12.413 1392 HA PHE 87 HA PHE 87 3.773 8.728 -15.046 1393 1HB PHE 87 HB2 PHE 87 4.741 10.353 -13.442 1394 2HB PHE 87 HB1 PHE 87 5.377 9.013 -12.489 1395 HD1 PHE 87 HD2 PHE 87 5.654 10.870 -15.663 1396 HD2 PHE 87 HD1 PHE 87 7.257 7.697 -13.250 1397 HE1 PHE 87 HE2 PHE 87 7.668 10.785 -17.111 1398 HE2 PHE 87 HE1 PHE 87 9.268 7.612 -14.695 1399 HZ PHE 87 HZ PHE 87 9.477 9.154 -16.626 1400 H PHE 88 HN PHE 88 3.840 6.687 -15.908 1401 HA PHE 88 HA PHE 88 5.675 4.735 -14.677 1402 1HB PHE 88 HB2 PHE 88 4.064 2.931 -14.597 1403 2HB PHE 88 HB1 PHE 88 3.416 4.282 -13.671 1404 HD1 PHE 88 HD1 PHE 88 1.935 5.997 -15.085 1405 HD2 PHE 88 HD2 PHE 88 2.671 1.906 -16.186 1406 HE1 PHE 88 HE1 PHE 88 -0.086 6.012 -16.515 1407 HE2 PHE 88 HE2 PHE 88 0.646 1.927 -17.611 1408 HZ PHE 88 HZ PHE 88 -0.735 3.980 -17.782 1409 H GLU 89 HN GLU 89 6.887 5.208 -16.627 1410 HA GLU 89 HA GLU 89 5.622 4.531 -19.220 1411 1HB GLU 89 HB2 GLU 89 8.364 5.579 -18.475 1412 2HB GLU 89 HB1 GLU 89 7.872 5.206 -20.126 1413 1HG GLU 89 HG2 GLU 89 6.041 6.826 -19.978 1414 2HG GLU 89 HG1 GLU 89 6.468 7.177 -18.303 1415 H HIS 90 HN HIS 90 5.600 2.452 -19.841 1416 HA HIS 90 HA HIS 90 8.038 0.779 -19.474 1417 1HB HIS 90 HB2 HIS 90 6.465 0.264 -17.591 1418 2HB HIS 90 HB1 HIS 90 5.249 -0.193 -18.783 1419 HD1 HIS 90 HD1 HIS 90 5.632 -2.372 -20.117 1420 HD2 HIS 90 HD2 HIS 90 8.628 -1.596 -17.321 1421 HE1 HIS 90 HE1 HIS 90 7.015 -4.485 -19.948 1422 HE2 HIS 90 HE2 HIS 90 8.851 -4.022 -18.262 1423 H GLU 91 HN GLU 91 8.478 -0.297 -21.344 1424 HA GLU 91 HA GLU 91 6.535 -0.101 -23.562 1425 1HB GLU 91 HB2 GLU 91 9.410 -1.046 -23.417 1426 2HB GLU 91 HB1 GLU 91 8.453 -1.047 -24.901 1427 1HG GLU 91 HG2 GLU 91 8.095 1.378 -24.689 1428 2HG GLU 91 HG1 GLU 91 9.032 1.397 -23.196 No H/Q in entry = 1428 Start of MODEL 13 1 1H MET 0 HT1 MET 0 18.625 -0.025 -5.025 2 2H MET 0 HT3 MET 0 18.089 1.123 -6.152 3 3H MET 0 HT2 MET 0 17.179 0.823 -4.750 4 HA MET 0 HA MET 0 16.014 -0.331 -6.357 5 1HB MET 0 HB2 MET 0 17.329 -1.895 -7.932 6 2HB MET 0 HB1 MET 0 17.452 -0.164 -8.237 7 1HG MET 0 HG2 MET 0 19.580 -0.086 -6.992 8 2HG MET 0 HG1 MET 0 19.456 -1.812 -6.667 9 1HE MET 0 HE2 MET 0 20.189 1.005 -8.951 10 2HE MET 0 HE1 MET 0 20.541 0.336 -10.541 11 3HE MET 0 HE3 MET 0 18.868 0.467 -9.984 12 H SER 1 HN SER 1 15.034 -2.109 -5.491 13 HA SER 1 HA SER 1 16.570 -4.411 -4.579 14 1HB SER 1 HB2 SER 1 16.818 -2.773 -2.685 15 2HB SER 1 HB1 SER 1 15.067 -2.806 -2.493 16 HG SER 1 HG SER 1 16.672 -5.142 -2.495 17 H GLU 2 HN GLU 2 14.644 -5.506 -2.862 18 HA GLU 2 HA GLU 2 12.756 -6.588 -4.692 19 1HB GLU 2 HB2 GLU 2 13.417 -7.714 -2.592 20 2HB GLU 2 HB1 GLU 2 12.589 -6.462 -1.665 21 1HG GLU 2 HG2 GLU 2 10.448 -7.084 -2.644 22 2HG GLU 2 HG1 GLU 2 11.239 -8.246 -3.711 23 H LEU 3 HN LEU 3 12.456 -3.942 -2.343 24 HA LEU 3 HA LEU 3 9.659 -3.516 -2.606 25 1HB LEU 3 HB2 LEU 3 11.898 -1.554 -2.042 26 2HB LEU 3 HB1 LEU 3 10.189 -1.168 -1.871 27 HG LEU 3 HG LEU 3 11.453 -3.522 -0.450 28 1HD1 LEU 3 HD11 LEU 3 11.312 -0.618 0.370 29 2HD1 LEU 3 HD13 LEU 3 11.406 -1.912 1.566 30 3HD1 LEU 3 HD12 LEU 3 12.701 -1.700 0.393 31 1HD2 LEU 3 HD21 LEU 3 8.866 -1.967 -0.179 32 2HD2 LEU 3 HD23 LEU 3 9.083 -3.704 -0.392 33 3HD2 LEU 3 HD22 LEU 3 9.488 -2.950 1.144 34 H GLU 4 HN GLU 4 12.377 -2.362 -4.585 35 HA GLU 4 HA GLU 4 10.909 -0.494 -6.154 36 1HB GLU 4 HB2 GLU 4 13.413 -0.806 -6.202 37 2HB GLU 4 HB1 GLU 4 13.156 -2.282 -7.132 38 1HG GLU 4 HG2 GLU 4 11.923 -0.939 -8.846 39 2HG GLU 4 HG1 GLU 4 12.327 0.519 -7.942 40 H LYS 5 HN LYS 5 11.423 -4.009 -6.609 41 HA LYS 5 HA LYS 5 9.906 -4.127 -9.062 42 1HB LYS 5 HB2 LYS 5 10.607 -6.254 -7.018 43 2HB LYS 5 HB1 LYS 5 9.769 -6.599 -8.529 44 1HG LYS 5 HG2 LYS 5 11.663 -5.653 -9.800 45 2HG LYS 5 HG1 LYS 5 12.504 -5.312 -8.287 46 1HD LYS 5 HD2 LYS 5 12.492 -7.722 -7.736 47 2HD LYS 5 HD1 LYS 5 11.660 -8.062 -9.254 48 1HE LYS 5 HE2 LYS 5 14.083 -8.449 -9.476 49 2HE LYS 5 HE1 LYS 5 13.559 -7.119 -10.511 50 1HZ LYS 5 HZ2 LYS 5 14.574 -6.653 -7.775 51 2HZ LYS 5 HZ1 LYS 5 15.624 -6.757 -9.107 52 3HZ LYS 5 HZ3 LYS 5 14.437 -5.545 -9.057 53 H ALA 6 HN ALA 6 9.083 -4.591 -5.634 54 HA ALA 6 HA ALA 6 6.392 -5.451 -6.045 55 1HB ALA 6 HB1 ALA 6 7.700 -5.489 -3.859 56 2HB ALA 6 HB3 ALA 6 7.357 -3.765 -3.722 57 3HB ALA 6 HB2 ALA 6 6.032 -4.930 -3.732 58 H MET 7 HN MET 7 7.746 -2.182 -5.526 59 HA MET 7 HA MET 7 5.274 -0.775 -5.680 60 1HB MET 7 HB2 MET 7 7.529 0.171 -4.986 61 2HB MET 7 HB1 MET 7 7.948 0.226 -6.697 62 1HG MET 7 HG2 MET 7 7.104 2.396 -6.195 63 2HG MET 7 HG1 MET 7 5.791 1.570 -7.033 64 1HE MET 7 HE3 MET 7 6.997 3.441 -4.085 65 2HE MET 7 HE2 MET 7 6.089 2.885 -2.681 66 3HE MET 7 HE1 MET 7 7.324 1.849 -3.388 67 H VAL 8 HN VAL 8 7.629 -1.645 -8.202 68 HA VAL 8 HA VAL 8 6.139 -0.465 -10.365 69 HB VAL 8 HB VAL 8 8.282 -2.606 -10.283 70 1HG1 VAL 8 HG11 VAL 8 6.932 -1.256 -12.632 71 2HG1 VAL 8 HG13 VAL 8 8.512 -2.031 -12.755 72 3HG1 VAL 8 HG12 VAL 8 7.093 -2.985 -12.326 73 1HG2 VAL 8 HG23 VAL 8 8.803 -0.216 -9.580 74 2HG2 VAL 8 HG22 VAL 8 9.771 -0.840 -10.914 75 3HG2 VAL 8 HG21 VAL 8 8.433 0.263 -11.236 76 H ALA 9 HN ALA 9 6.300 -3.754 -9.015 77 HA ALA 9 HA ALA 9 4.644 -5.002 -10.979 78 1HB ALA 9 HB2 ALA 9 5.095 -5.677 -8.060 79 2HB ALA 9 HB1 ALA 9 4.260 -6.728 -9.203 80 3HB ALA 9 HB3 ALA 9 5.963 -6.342 -9.444 81 H LEU 10 HN LEU 10 3.830 -3.492 -7.852 82 HA LEU 10 HA LEU 10 1.057 -4.097 -7.907 83 1HB LEU 10 HB2 LEU 10 2.203 -3.229 -5.905 84 2HB LEU 10 HB1 LEU 10 2.449 -1.680 -6.708 85 HG LEU 10 HG LEU 10 0.008 -1.362 -6.863 86 1HD1 LEU 10 HD13 LEU 10 -0.001 -4.150 -5.726 87 2HD1 LEU 10 HD12 LEU 10 -1.325 -3.056 -5.322 88 3HD1 LEU 10 HD11 LEU 10 -1.001 -3.462 -7.005 89 1HD2 LEU 10 HD23 LEU 10 1.306 -0.627 -4.841 90 2HD2 LEU 10 HD22 LEU 10 -0.392 -0.958 -4.500 91 3HD2 LEU 10 HD21 LEU 10 0.843 -2.133 -4.051 92 H ILE 11 HN ILE 11 2.747 -1.161 -9.068 93 HA ILE 11 HA ILE 11 0.364 0.087 -10.064 94 HB ILE 11 HB ILE 11 3.259 0.447 -10.899 95 1HG1 ILE 11 HG12 ILE 11 1.536 2.140 -9.065 96 2HG1 ILE 11 HG11 ILE 11 2.637 0.895 -8.477 97 1HG2 ILE 11 HG22 ILE 11 0.720 1.941 -11.574 98 2HG2 ILE 11 HG21 ILE 11 2.281 2.759 -11.592 99 3HG2 ILE 11 HG23 ILE 11 1.993 1.386 -12.660 100 1HD1 ILE 11 HD11 ILE 11 4.523 2.045 -9.596 101 2HD1 ILE 11 HD13 ILE 11 3.418 3.302 -10.151 102 3HD1 ILE 11 HD12 ILE 11 3.729 3.100 -8.427 103 H ASP 12 HN ASP 12 2.770 -2.047 -11.597 104 HA ASP 12 HA ASP 12 1.805 -1.823 -14.259 105 1HB ASP 12 HB2 ASP 12 3.181 -4.095 -12.817 106 2HB ASP 12 HB1 ASP 12 2.826 -4.131 -14.544 107 H VAL 13 HN VAL 13 0.752 -3.996 -11.626 108 HA VAL 13 HA VAL 13 -1.057 -5.489 -13.306 109 HB VAL 13 HB VAL 13 -0.959 -5.063 -10.305 110 1HG1 VAL 13 HG11 VAL 13 -2.848 -6.681 -12.014 111 2HG1 VAL 13 HG13 VAL 13 -2.473 -7.183 -10.365 112 3HG1 VAL 13 HG12 VAL 13 -3.223 -5.615 -10.661 113 1HG2 VAL 13 HG23 VAL 13 -0.083 -7.277 -12.178 114 2HG2 VAL 13 HG22 VAL 13 0.913 -6.349 -11.057 115 3HG2 VAL 13 HG21 VAL 13 -0.254 -7.517 -10.440 116 H PHE 14 HN PHE 14 -1.472 -2.647 -11.208 117 HA PHE 14 HA PHE 14 -4.290 -2.394 -11.473 118 1HB PHE 14 HB2 PHE 14 -2.984 -1.103 -9.841 119 2HB PHE 14 HB1 PHE 14 -2.209 -0.214 -11.152 120 HD1 PHE 14 HD1 PHE 14 -5.427 -0.838 -9.417 121 HD2 PHE 14 HD2 PHE 14 -3.350 1.554 -12.320 122 HE1 PHE 14 HE1 PHE 14 -7.317 0.767 -9.451 123 HE2 PHE 14 HE2 PHE 14 -5.241 3.159 -12.348 124 HZ PHE 14 HZ PHE 14 -7.224 2.763 -10.914 125 H HIS 15 HN HIS 15 -1.708 -0.841 -13.413 126 HA HIS 15 HA HIS 15 -3.505 0.495 -15.196 127 1HB HIS 15 HB2 HIS 15 -1.093 1.059 -14.929 128 2HB HIS 15 HB1 HIS 15 -0.680 -0.442 -15.757 129 HD1 HIS 15 HD1 HIS 15 -3.473 1.963 -16.692 130 HD2 HIS 15 HD2 HIS 15 0.155 0.580 -18.220 131 HE1 HIS 15 HE1 HIS 15 -3.271 2.917 -19.031 132 HE2 HIS 15 HE2 HIS 15 -1.066 2.083 -19.970 133 H GLN 16 HN GLN 16 -1.796 -2.627 -15.515 134 HA GLN 16 HA GLN 16 -2.722 -3.241 -18.127 135 1HB GLN 16 HB2 GLN 16 -0.920 -4.474 -16.941 136 2HB GLN 16 HB1 GLN 16 -2.130 -5.176 -15.868 137 1HG GLN 16 HG2 GLN 16 -2.390 -5.445 -18.865 138 2HG GLN 16 HG1 GLN 16 -1.373 -6.554 -17.947 139 1HE2 GLN 16 HE22 GLN 16 -5.203 -7.418 -18.110 140 2HE2 GLN 16 HE21 GLN 16 -4.319 -6.549 -19.271 141 H TYR 17 HN TYR 17 -4.198 -3.904 -14.954 142 HA TYR 17 HA TYR 17 -6.410 -5.394 -16.062 143 1HB TYR 17 HB2 TYR 17 -5.448 -5.069 -13.544 144 2HB TYR 17 HB1 TYR 17 -6.774 -3.914 -13.478 145 HD1 TYR 17 HD1 TYR 17 -9.050 -4.838 -14.603 146 HD2 TYR 17 HD2 TYR 17 -5.925 -7.273 -12.942 147 HE1 TYR 17 HE1 TYR 17 -10.655 -6.706 -14.315 148 HE2 TYR 17 HE2 TYR 17 -7.528 -9.136 -12.650 149 HH TYR 17 HH TYR 17 -10.970 -8.743 -13.468 150 H SER 18 HN SER 18 -5.927 -1.986 -15.196 151 HA SER 18 HA SER 18 -8.600 -1.103 -15.609 152 1HB SER 18 HB2 SER 18 -6.921 0.332 -14.556 153 2HB SER 18 HB1 SER 18 -5.983 0.368 -16.045 154 HG SER 18 HG SER 18 -7.797 2.054 -15.388 155 H GLY 19 HN GLY 19 -5.897 -1.512 -17.875 156 1HA GLY 19 HA2 GLY 19 -7.393 -0.436 -20.122 157 2HA GLY 19 HA1 GLY 19 -5.846 -1.272 -20.220 158 H ARG 20 HN ARG 20 -7.514 -3.397 -18.481 159 HA ARG 20 HA ARG 20 -7.907 -5.212 -20.642 160 1HB ARG 20 HB2 ARG 20 -7.844 -5.449 -17.914 161 2HB ARG 20 HB1 ARG 20 -9.570 -5.626 -18.190 162 1HG ARG 20 HG2 ARG 20 -7.482 -7.247 -19.682 163 2HG ARG 20 HG1 ARG 20 -8.236 -7.787 -18.186 164 1HD ARG 20 HD2 ARG 20 -9.805 -6.993 -20.645 165 2HD ARG 20 HD1 ARG 20 -9.349 -8.651 -20.272 166 HE ARG 20 HE ARG 20 -10.616 -7.821 -17.971 167 1HH1 ARG 20 HH21 ARG 20 -11.348 -7.748 -21.339 168 2HH1 ARG 20 HH22 ARG 20 -13.053 -7.941 -21.109 169 1HH2 ARG 20 HH11 ARG 20 -12.838 -8.075 -17.651 170 2HH2 ARG 20 HH12 ARG 20 -13.897 -8.126 -19.020 171 H GLU 21 HN GLU 21 -10.191 -3.090 -18.909 172 HA GLU 21 HA GLU 21 -12.323 -3.809 -20.866 173 1HB GLU 21 HB2 GLU 21 -12.325 -3.109 -18.078 174 2HB GLU 21 HB1 GLU 21 -13.200 -1.840 -18.927 175 1HG GLU 21 HG2 GLU 21 -13.761 -4.811 -19.217 176 2HG GLU 21 HG1 GLU 21 -14.685 -3.706 -18.200 177 H GLY 22 HN GLY 22 -13.580 -1.930 -21.769 178 1HA GLY 22 HA2 GLY 22 -11.915 -0.184 -23.238 179 2HA GLY 22 HA1 GLY 22 -13.647 0.049 -23.018 180 H ASP 23 HN ASP 23 -13.180 0.154 -19.993 181 HA ASP 23 HA ASP 23 -12.773 3.050 -19.890 182 1HB ASP 23 HB2 ASP 23 -13.315 0.974 -17.758 183 2HB ASP 23 HB1 ASP 23 -13.131 2.695 -17.410 184 H LYS 24 HN LYS 24 -10.555 3.214 -20.546 185 HA LYS 24 HA LYS 24 -8.400 1.890 -19.159 186 1HB LYS 24 HB2 LYS 24 -8.510 4.345 -20.917 187 2HB LYS 24 HB1 LYS 24 -7.005 3.667 -20.301 188 1HG LYS 24 HG2 LYS 24 -7.530 1.511 -21.376 189 2HG LYS 24 HG1 LYS 24 -9.035 2.178 -21.994 190 1HD LYS 24 HD2 LYS 24 -6.386 3.492 -22.608 191 2HD LYS 24 HD1 LYS 24 -6.966 2.136 -23.569 192 1HE LYS 24 HE2 LYS 24 -8.362 4.799 -23.168 193 2HE LYS 24 HE1 LYS 24 -7.659 4.182 -24.659 194 1HZ LYS 24 HZ1 LYS 24 -9.361 2.210 -23.892 195 2HZ LYS 24 HZ3 LYS 24 -10.210 3.620 -23.481 196 3HZ LYS 24 HZ2 LYS 24 -9.677 3.386 -25.077 197 H HIS 25 HN HIS 25 -9.900 5.097 -18.821 198 HA HIS 25 HA HIS 25 -7.985 6.091 -16.938 199 1HB HIS 25 HB2 HIS 25 -10.358 7.047 -18.252 200 2HB HIS 25 HB1 HIS 25 -10.514 7.417 -16.539 201 HD1 HIS 25 HD1 HIS 25 -8.803 9.078 -15.507 202 HD2 HIS 25 HD2 HIS 25 -8.239 8.422 -19.589 203 HE1 HIS 25 HE1 HIS 25 -7.174 10.852 -16.302 204 HE2 HIS 25 HE2 HIS 25 -6.824 10.460 -18.783 205 H LYS 26 HN LYS 26 -11.015 4.284 -16.405 206 HA LYS 26 HA LYS 26 -10.178 3.984 -13.560 207 1HB LYS 26 HB2 LYS 26 -12.482 4.612 -12.808 208 2HB LYS 26 HB1 LYS 26 -11.580 5.955 -13.513 209 1HG LYS 26 HG2 LYS 26 -12.717 5.615 -15.669 210 2HG LYS 26 HG1 LYS 26 -13.587 4.234 -15.007 211 1HD LYS 26 HD2 LYS 26 -15.170 5.934 -14.761 212 2HD LYS 26 HD1 LYS 26 -14.390 5.954 -13.182 213 1HE LYS 26 HE2 LYS 26 -12.928 7.802 -13.919 214 2HE LYS 26 HE1 LYS 26 -13.691 7.773 -15.510 215 1HZ LYS 26 HZ3 LYS 26 -15.836 8.176 -14.346 216 2HZ LYS 26 HZ2 LYS 26 -14.959 8.426 -12.912 217 3HZ LYS 26 HZ1 LYS 26 -14.732 9.461 -14.240 218 H LEU 27 HN LEU 27 -11.694 2.467 -12.378 219 HA LEU 27 HA LEU 27 -12.553 0.253 -14.214 220 1HB LEU 27 HB2 LEU 27 -11.766 0.109 -11.284 221 2HB LEU 27 HB1 LEU 27 -12.137 -1.251 -12.337 222 HG LEU 27 HG LEU 27 -10.184 -0.139 -13.835 223 1HD1 LEU 27 HD11 LEU 27 -9.549 0.692 -10.984 224 2HD1 LEU 27 HD13 LEU 27 -8.354 0.615 -12.275 225 3HD1 LEU 27 HD12 LEU 27 -9.699 1.746 -12.388 226 1HD2 LEU 27 HD22 LEU 27 -10.218 -2.456 -12.928 227 2HD2 LEU 27 HD21 LEU 27 -8.617 -1.726 -12.821 228 3HD2 LEU 27 HD23 LEU 27 -9.630 -1.840 -11.382 229 H LYS 28 HN LYS 28 -14.648 -0.533 -14.003 230 HA LYS 28 HA LYS 28 -16.462 0.999 -12.190 231 1HB LYS 28 HB2 LYS 28 -18.242 -0.187 -13.717 232 2HB LYS 28 HB1 LYS 28 -17.345 1.195 -14.337 233 1HG LYS 28 HG2 LYS 28 -15.739 -0.354 -15.429 234 2HG LYS 28 HG1 LYS 28 -16.689 -1.724 -14.851 235 1HD LYS 28 HD2 LYS 28 -18.614 -1.017 -16.136 236 2HD LYS 28 HD1 LYS 28 -17.828 0.501 -16.566 237 1HE LYS 28 HE2 LYS 28 -17.507 -0.805 -18.490 238 2HE LYS 28 HE1 LYS 28 -15.989 -1.031 -17.626 239 1HZ LYS 28 HZ2 LYS 28 -16.902 -3.073 -16.674 240 2HZ LYS 28 HZ1 LYS 28 -18.326 -2.860 -17.574 241 3HZ LYS 28 HZ3 LYS 28 -16.855 -3.138 -18.371 242 H LYS 29 HN LYS 29 -18.528 -0.545 -11.700 243 HA LYS 29 HA LYS 29 -17.644 -2.353 -9.702 244 1HB LYS 29 HB2 LYS 29 -19.960 -2.969 -9.429 245 2HB LYS 29 HB1 LYS 29 -19.915 -1.252 -9.820 246 1HG LYS 29 HG2 LYS 29 -20.316 -1.868 -12.234 247 2HG LYS 29 HG1 LYS 29 -20.564 -3.535 -11.713 248 1HD LYS 29 HD2 LYS 29 -22.342 -2.673 -10.129 249 2HD LYS 29 HD1 LYS 29 -22.196 -1.108 -10.929 250 1HE LYS 29 HE2 LYS 29 -22.800 -3.691 -12.393 251 2HE LYS 29 HE1 LYS 29 -24.041 -2.566 -11.842 252 1HZ LYS 29 HZ1 LYS 29 -22.199 -1.014 -13.153 253 2HZ LYS 29 HZ3 LYS 29 -22.344 -2.399 -14.121 254 3HZ LYS 29 HZ2 LYS 29 -23.723 -1.486 -13.736 255 H SER 30 HN SER 30 -18.678 -2.979 -13.048 256 HA SER 30 HA SER 30 -18.757 -5.814 -12.870 257 1HB SER 30 HB2 SER 30 -18.592 -5.810 -15.272 258 2HB SER 30 HB1 SER 30 -19.515 -4.378 -14.821 259 HG SER 30 HG SER 30 -16.717 -4.460 -15.315 260 H GLU 31 HN GLU 31 -16.039 -3.629 -13.641 261 HA GLU 31 HA GLU 31 -14.127 -5.733 -14.077 262 1HB GLU 31 HB2 GLU 31 -13.780 -2.848 -13.212 263 2HB GLU 31 HB1 GLU 31 -12.445 -3.912 -13.652 264 1HG GLU 31 HG2 GLU 31 -13.418 -4.225 -15.890 265 2HG GLU 31 HG1 GLU 31 -14.769 -3.176 -15.454 266 H LEU 32 HN LEU 32 -15.065 -3.843 -11.224 267 HA LEU 32 HA LEU 32 -13.098 -4.918 -9.459 268 1HB LEU 32 HB2 LEU 32 -14.397 -2.884 -8.949 269 2HB LEU 32 HB1 LEU 32 -15.870 -3.842 -8.849 270 HG LEU 32 HG LEU 32 -14.892 -5.115 -6.951 271 1HD1 LEU 32 HD11 LEU 32 -12.566 -3.268 -7.483 272 2HD1 LEU 32 HD13 LEU 32 -12.834 -3.950 -5.878 273 3HD1 LEU 32 HD12 LEU 32 -12.550 -5.017 -7.248 274 1HD2 LEU 32 HD22 LEU 32 -16.266 -3.053 -6.610 275 2HD2 LEU 32 HD21 LEU 32 -15.104 -3.325 -5.311 276 3HD2 LEU 32 HD23 LEU 32 -14.777 -2.111 -6.549 277 H LYS 33 HN LYS 33 -16.453 -5.907 -10.143 278 HA LYS 33 HA LYS 33 -16.586 -8.054 -8.281 279 1HB LYS 33 HB2 LYS 33 -18.503 -7.081 -9.625 280 2HB LYS 33 HB1 LYS 33 -17.901 -7.990 -11.011 281 1HG LYS 33 HG2 LYS 33 -18.027 -10.069 -9.514 282 2HG LYS 33 HG1 LYS 33 -18.960 -9.076 -8.394 283 1HD LYS 33 HD2 LYS 33 -19.660 -9.619 -11.296 284 2HD LYS 33 HD1 LYS 33 -20.465 -10.316 -9.891 285 1HE LYS 33 HE2 LYS 33 -20.482 -7.449 -10.830 286 2HE LYS 33 HE1 LYS 33 -21.855 -8.505 -10.507 287 1HZ LYS 33 HZ1 LYS 33 -20.669 -8.503 -8.130 288 2HZ LYS 33 HZ3 LYS 33 -20.234 -6.953 -8.662 289 3HZ LYS 33 HZ2 LYS 33 -21.873 -7.389 -8.569 290 H GLU 34 HN GLU 34 -15.641 -8.070 -11.726 291 HA GLU 34 HA GLU 34 -15.056 -10.854 -11.880 292 1HB GLU 34 HB2 GLU 34 -15.294 -9.274 -13.834 293 2HB GLU 34 HB1 GLU 34 -13.684 -8.661 -13.451 294 1HG GLU 34 HG2 GLU 34 -12.758 -10.939 -13.701 295 2HG GLU 34 HG1 GLU 34 -14.366 -11.545 -14.090 296 H LEU 35 HN LEU 35 -13.014 -8.082 -10.998 297 HA LEU 35 HA LEU 35 -10.515 -9.371 -10.947 298 1HB LEU 35 HB2 LEU 35 -11.337 -6.872 -10.353 299 2HB LEU 35 HB1 LEU 35 -11.158 -7.470 -8.708 300 HG LEU 35 HG LEU 35 -9.008 -7.573 -10.846 301 1HD1 LEU 35 HD12 LEU 35 -9.376 -5.756 -8.450 302 2HD1 LEU 35 HD11 LEU 35 -7.899 -5.852 -9.409 303 3HD1 LEU 35 HD13 LEU 35 -9.394 -5.278 -10.147 304 1HD2 LEU 35 HD21 LEU 35 -9.116 -8.409 -7.947 305 2HD2 LEU 35 HD23 LEU 35 -8.622 -9.362 -9.345 306 3HD2 LEU 35 HD22 LEU 35 -7.588 -8.063 -8.758 307 H ILE 36 HN ILE 36 -13.047 -9.310 -8.432 308 HA ILE 36 HA ILE 36 -11.562 -10.762 -6.455 309 HB ILE 36 HB ILE 36 -14.559 -10.754 -6.942 310 1HG1 ILE 36 HG12 ILE 36 -13.768 -8.465 -6.710 311 2HG1 ILE 36 HG11 ILE 36 -14.574 -8.934 -5.217 312 1HG2 ILE 36 HG21 ILE 36 -12.806 -11.671 -4.671 313 2HG2 ILE 36 HG23 ILE 36 -14.425 -11.063 -4.328 314 3HG2 ILE 36 HG22 ILE 36 -14.214 -12.459 -5.384 315 1HD1 ILE 36 HD11 ILE 36 -12.160 -9.612 -4.436 316 2HD1 ILE 36 HD13 ILE 36 -11.639 -8.545 -5.739 317 3HD1 ILE 36 HD12 ILE 36 -12.628 -7.914 -4.424 318 H ASN 37 HN ASN 37 -13.703 -11.856 -9.092 319 HA ASN 37 HA ASN 37 -13.705 -14.614 -8.391 320 1HB ASN 37 HB2 ASN 37 -15.231 -13.683 -10.073 321 2HB ASN 37 HB1 ASN 37 -13.868 -13.372 -11.150 322 1HD2 ASN 37 HD22 ASN 37 -14.273 -16.587 -12.525 323 2HD2 ASN 37 HD21 ASN 37 -14.095 -14.921 -12.794 324 H ASN 38 HN ASN 38 -11.424 -12.762 -10.414 325 HA ASN 38 HA ASN 38 -9.875 -15.152 -11.051 326 1HB ASN 38 HB2 ASN 38 -9.232 -12.211 -11.403 327 2HB ASN 38 HB1 ASN 38 -8.293 -13.541 -12.083 328 1HD2 ASN 38 HD22 ASN 38 -11.100 -14.477 -14.295 329 2HD2 ASN 38 HD21 ASN 38 -10.075 -15.251 -13.185 330 H GLU 39 HN GLU 39 -9.157 -12.230 -9.088 331 HA GLU 39 HA GLU 39 -7.126 -13.850 -7.579 332 1HB GLU 39 HB2 GLU 39 -7.340 -10.898 -8.175 333 2HB GLU 39 HB1 GLU 39 -6.374 -11.476 -6.821 334 1HG GLU 39 HG2 GLU 39 -4.939 -11.243 -8.769 335 2HG GLU 39 HG1 GLU 39 -5.125 -12.956 -8.403 336 H LEU 40 HN LEU 40 -6.938 -13.035 -5.231 337 HA LEU 40 HA LEU 40 -7.949 -12.946 -3.131 338 1HB LEU 40 HB2 LEU 40 -9.632 -11.023 -4.735 339 2HB LEU 40 HB1 LEU 40 -9.866 -11.257 -3.009 340 HG LEU 40 HG LEU 40 -7.147 -10.601 -4.162 341 1HD1 LEU 40 HD13 LEU 40 -9.284 -8.651 -3.245 342 2HD1 LEU 40 HD12 LEU 40 -7.618 -8.226 -3.639 343 3HD1 LEU 40 HD11 LEU 40 -8.692 -8.839 -4.896 344 1HD2 LEU 40 HD22 LEU 40 -8.430 -10.483 -1.420 345 2HD2 LEU 40 HD21 LEU 40 -6.937 -11.286 -1.900 346 3HD2 LEU 40 HD23 LEU 40 -6.997 -9.530 -1.792 347 H SER 41 HN SER 41 -9.240 -14.639 -5.559 348 HA SER 41 HA SER 41 -11.959 -15.054 -4.753 349 1HB SER 41 HB2 SER 41 -11.804 -17.161 -6.043 350 2HB SER 41 HB1 SER 41 -11.128 -15.804 -6.940 351 HG SER 41 HG SER 41 -9.359 -17.128 -5.289 352 H HIS 42 HN HIS 42 -8.916 -16.630 -3.770 353 HA HIS 42 HA HIS 42 -10.206 -18.595 -2.079 354 1HB HIS 42 HB2 HIS 42 -7.391 -17.474 -2.113 355 2HB HIS 42 HB1 HIS 42 -7.906 -18.757 -1.020 356 HD1 HIS 42 HD1 HIS 42 -7.398 -18.033 -4.695 357 HD2 HIS 42 HD2 HIS 42 -8.160 -21.291 -2.204 358 HE1 HIS 42 HE1 HIS 42 -7.107 -20.111 -6.120 359 HE2 HIS 42 HE2 HIS 42 -7.569 -22.098 -4.612 360 H PHE 43 HN PHE 43 -8.845 -15.369 -1.547 361 HA PHE 43 HA PHE 43 -9.224 -15.373 1.310 362 1HB PHE 43 HB2 PHE 43 -8.915 -13.144 -0.724 363 2HB PHE 43 HB1 PHE 43 -9.001 -12.859 1.014 364 HD1 PHE 43 HD2 PHE 43 -7.037 -14.492 -1.680 365 HD2 PHE 43 HD1 PHE 43 -7.136 -13.358 2.462 366 HE1 PHE 43 HE2 PHE 43 -4.623 -15.005 -1.485 367 HE2 PHE 43 HE1 PHE 43 -4.717 -13.877 2.657 368 HZ PHE 43 HZ PHE 43 -3.461 -14.698 0.684 369 H LEU 44 HN LEU 44 -11.189 -14.318 -1.447 370 HA LEU 44 HA LEU 44 -13.513 -13.873 0.412 371 1HB LEU 44 HB2 LEU 44 -12.699 -12.572 -2.193 372 2HB LEU 44 HB1 LEU 44 -14.383 -12.565 -1.683 373 HG LEU 44 HG LEU 44 -13.639 -11.551 0.508 374 1HD1 LEU 44 HD12 LEU 44 -10.991 -11.666 -0.922 375 2HD1 LEU 44 HD11 LEU 44 -11.318 -10.314 0.159 376 3HD1 LEU 44 HD13 LEU 44 -11.363 -11.961 0.775 377 1HD2 LEU 44 HD23 LEU 44 -14.582 -10.222 -1.363 378 2HD2 LEU 44 HD22 LEU 44 -13.387 -9.301 -0.448 379 3HD2 LEU 44 HD21 LEU 44 -12.956 -9.998 -2.009 380 H GLU 45 HN GLU 45 -14.956 -15.552 0.267 381 HA GLU 45 HA GLU 45 -15.412 -16.814 -2.411 382 1HB GLU 45 HB2 GLU 45 -15.528 -19.020 -1.338 383 2HB GLU 45 HB1 GLU 45 -13.947 -18.287 -1.076 384 1HG GLU 45 HG2 GLU 45 -14.668 -17.535 1.167 385 2HG GLU 45 HG1 GLU 45 -16.242 -18.289 0.910 386 H GLU 46 HN GLU 46 -16.966 -14.788 -0.868 387 HA GLU 46 HA GLU 46 -19.535 -16.319 -0.765 388 1HB GLU 46 HB2 GLU 46 -18.499 -15.817 1.559 389 2HB GLU 46 HB1 GLU 46 -18.900 -14.133 1.225 390 1HG GLU 46 HG2 GLU 46 -21.253 -14.685 0.978 391 2HG GLU 46 HG1 GLU 46 -20.905 -16.408 1.118 392 H ILE 47 HN ILE 47 -18.617 -14.812 -2.941 393 HA ILE 47 HA ILE 47 -20.202 -12.268 -2.790 394 HB ILE 47 HB ILE 47 -18.069 -13.145 -4.762 395 1HG1 ILE 47 HG12 ILE 47 -17.412 -12.537 -2.309 396 2HG1 ILE 47 HG11 ILE 47 -16.534 -11.778 -3.629 397 1HG2 ILE 47 HG22 ILE 47 -19.706 -10.621 -4.496 398 2HG2 ILE 47 HG21 ILE 47 -18.190 -10.674 -5.397 399 3HG2 ILE 47 HG23 ILE 47 -19.549 -11.678 -5.900 400 1HD1 ILE 47 HD13 ILE 47 -18.961 -10.357 -2.600 401 2HD1 ILE 47 HD12 ILE 47 -17.515 -10.348 -1.597 402 3HD1 ILE 47 HD11 ILE 47 -17.455 -9.700 -3.234 403 H LYS 48 HN LYS 48 -22.128 -12.289 -3.834 404 HA LYS 48 HA LYS 48 -22.433 -13.736 -6.370 405 1HB LYS 48 HB2 LYS 48 -22.897 -15.498 -4.676 406 2HB LYS 48 HB1 LYS 48 -24.169 -14.483 -3.994 407 1HG LYS 48 HG2 LYS 48 -25.365 -14.508 -6.146 408 2HG LYS 48 HG1 LYS 48 -24.088 -15.493 -6.856 409 1HD LYS 48 HD2 LYS 48 -25.796 -16.310 -4.485 410 2HD LYS 48 HD1 LYS 48 -26.050 -16.850 -6.143 411 1HE LYS 48 HE2 LYS 48 -23.492 -17.571 -5.956 412 2HE LYS 48 HE1 LYS 48 -23.856 -17.579 -4.229 413 1HZ LYS 48 HZ3 LYS 48 -25.858 -18.844 -5.873 414 2HZ LYS 48 HZ2 LYS 48 -24.345 -19.614 -5.915 415 3HZ LYS 48 HZ1 LYS 48 -25.142 -19.379 -4.432 416 H GLU 49 HN GLU 49 -23.859 -11.776 -3.800 417 HA GLU 49 HA GLU 49 -25.882 -10.696 -5.711 418 1HB GLU 49 HB2 GLU 49 -25.542 -10.448 -2.708 419 2HB GLU 49 HB1 GLU 49 -26.765 -9.568 -3.626 420 1HG GLU 49 HG2 GLU 49 -27.778 -11.629 -4.382 421 2HG GLU 49 HG1 GLU 49 -26.475 -12.584 -3.674 422 H GLN 50 HN GLN 50 -25.796 -8.562 -6.391 423 HA GLN 50 HA GLN 50 -23.263 -7.191 -6.217 424 1HB GLN 50 HB2 GLN 50 -24.299 -5.454 -7.544 425 2HB GLN 50 HB1 GLN 50 -24.838 -7.011 -8.161 426 1HG GLN 50 HG2 GLN 50 -26.433 -5.254 -6.254 427 2HG GLN 50 HG1 GLN 50 -26.707 -5.389 -7.986 428 1HE2 GLN 50 HE22 GLN 50 -27.615 -8.985 -7.539 429 2HE2 GLN 50 HE21 GLN 50 -26.407 -8.156 -8.396 430 H GLU 51 HN GLU 51 -26.113 -7.173 -4.268 431 HA GLU 51 HA GLU 51 -25.945 -4.561 -3.149 432 1HB GLU 51 HB2 GLU 51 -26.940 -7.196 -2.043 433 2HB GLU 51 HB1 GLU 51 -27.015 -5.704 -1.103 434 1HG GLU 51 HG2 GLU 51 -28.155 -5.921 -3.897 435 2HG GLU 51 HG1 GLU 51 -29.108 -6.272 -2.454 436 H VAL 52 HN VAL 52 -24.291 -7.588 -2.289 437 HA VAL 52 HA VAL 52 -22.968 -6.551 0.038 438 HB VAL 52 HB VAL 52 -22.155 -8.754 -1.886 439 1HG1 VAL 52 HG11 VAL 52 -21.058 -7.941 0.819 440 2HG1 VAL 52 HG13 VAL 52 -20.749 -9.511 0.079 441 3HG1 VAL 52 HG12 VAL 52 -20.178 -8.040 -0.707 442 1HG2 VAL 52 HG23 VAL 52 -23.543 -8.784 0.814 443 2HG2 VAL 52 HG22 VAL 52 -24.281 -9.176 -0.739 444 3HG2 VAL 52 HG21 VAL 52 -23.026 -10.220 -0.070 445 H VAL 53 HN VAL 53 -21.953 -6.826 -3.371 446 HA VAL 53 HA VAL 53 -19.401 -5.572 -3.016 447 HB VAL 53 HB VAL 53 -21.211 -5.828 -5.436 448 1HG1 VAL 53 HG13 VAL 53 -18.371 -4.793 -5.211 449 2HG1 VAL 53 HG12 VAL 53 -19.100 -5.317 -6.728 450 3HG1 VAL 53 HG11 VAL 53 -19.770 -3.937 -5.861 451 1HG2 VAL 53 HG23 VAL 53 -20.248 -7.909 -4.394 452 2HG2 VAL 53 HG22 VAL 53 -19.726 -7.635 -6.055 453 3HG2 VAL 53 HG21 VAL 53 -18.640 -7.263 -4.717 454 H ASP 54 HN ASP 54 -22.563 -4.272 -4.051 455 HA ASP 54 HA ASP 54 -21.725 -1.576 -4.391 456 1HB ASP 54 HB2 ASP 54 -23.912 -2.407 -5.166 457 2HB ASP 54 HB1 ASP 54 -24.428 -2.614 -3.491 458 H LYS 55 HN LYS 55 -23.085 -3.201 -1.503 459 HA LYS 55 HA LYS 55 -23.059 -0.905 0.177 460 1HB LYS 55 HB2 LYS 55 -24.179 -3.073 0.739 461 2HB LYS 55 HB1 LYS 55 -22.587 -3.779 1.024 462 1HG LYS 55 HG2 LYS 55 -22.141 -2.109 2.775 463 2HG LYS 55 HG1 LYS 55 -23.714 -1.368 2.482 464 1HD LYS 55 HD2 LYS 55 -24.824 -3.485 3.107 465 2HD LYS 55 HD1 LYS 55 -23.249 -4.215 3.421 466 1HE LYS 55 HE2 LYS 55 -22.807 -2.647 5.210 467 2HE LYS 55 HE1 LYS 55 -24.253 -1.718 4.816 468 1HZ LYS 55 HZ3 LYS 55 -25.202 -4.230 5.161 469 2HZ LYS 55 HZ2 LYS 55 -23.990 -4.132 6.348 470 3HZ LYS 55 HZ1 LYS 55 -25.251 -2.994 6.322 471 H VAL 56 HN VAL 56 -20.569 -3.399 -0.363 472 HA VAL 56 HA VAL 56 -18.645 -2.331 1.450 473 HB VAL 56 HB VAL 56 -18.339 -3.952 -1.090 474 1HG1 VAL 56 HG11 VAL 56 -16.273 -3.059 0.936 475 2HG1 VAL 56 HG13 VAL 56 -16.032 -4.452 -0.119 476 3HG1 VAL 56 HG12 VAL 56 -16.234 -2.844 -0.814 477 1HG2 VAL 56 HG22 VAL 56 -19.504 -4.937 0.932 478 2HG2 VAL 56 HG21 VAL 56 -18.056 -5.807 0.426 479 3HG2 VAL 56 HG23 VAL 56 -17.995 -4.728 1.820 480 H MET 57 HN MET 57 -19.210 -1.697 -2.012 481 HA MET 57 HA MET 57 -17.032 0.094 -2.393 482 1HB MET 57 HB2 MET 57 -18.519 -0.876 -4.200 483 2HB MET 57 HB1 MET 57 -19.742 0.306 -3.730 484 1HG MET 57 HG2 MET 57 -18.147 2.136 -4.173 485 2HG MET 57 HG1 MET 57 -16.926 0.959 -4.644 486 1HE MET 57 HE3 MET 57 -16.592 0.016 -6.770 487 2HE MET 57 HE2 MET 57 -17.888 -1.126 -6.432 488 3HE MET 57 HE1 MET 57 -17.818 -0.323 -7.998 489 H GLU 58 HN GLU 58 -20.406 0.741 -1.410 490 HA GLU 58 HA GLU 58 -20.146 3.569 -1.200 491 1HB GLU 58 HB2 GLU 58 -22.322 2.393 -1.139 492 2HB GLU 58 HB1 GLU 58 -21.902 1.710 0.432 493 1HG GLU 58 HG2 GLU 58 -21.835 3.902 1.445 494 2HG GLU 58 HG1 GLU 58 -22.023 4.686 -0.126 495 H THR 59 HN THR 59 -19.533 0.987 1.163 496 HA THR 59 HA THR 59 -18.880 2.762 3.338 497 HB THR 59 HB THR 59 -18.031 -0.105 2.820 498 HG1 THR 59 HG1 THR 59 -19.831 -0.637 3.891 499 1HG2 THR 59 HG23 THR 59 -17.937 1.605 5.317 500 2HG2 THR 59 HG22 THR 59 -17.722 -0.144 5.311 501 3HG2 THR 59 HG21 THR 59 -16.567 0.888 4.470 502 H LEU 60 HN LEU 60 -16.951 1.152 0.831 503 HA LEU 60 HA LEU 60 -14.427 2.149 1.867 504 1HB LEU 60 HB2 LEU 60 -14.780 0.079 0.384 505 2HB LEU 60 HB1 LEU 60 -14.949 1.209 -0.957 506 HG LEU 60 HG LEU 60 -12.666 2.199 0.003 507 1HD1 LEU 60 HD12 LEU 60 -12.646 0.678 1.982 508 2HD1 LEU 60 HD11 LEU 60 -12.556 -0.703 0.891 509 3HD1 LEU 60 HD13 LEU 60 -11.230 0.456 0.957 510 1HD2 LEU 60 HD21 LEU 60 -12.986 1.185 -2.244 511 2HD2 LEU 60 HD23 LEU 60 -11.434 0.736 -1.538 512 3HD2 LEU 60 HD22 LEU 60 -12.768 -0.416 -1.539 513 H ASP 61 HN ASP 61 -16.798 3.289 -0.479 514 HA ASP 61 HA ASP 61 -15.194 5.187 -1.845 515 1HB ASP 61 HB2 ASP 61 -18.132 5.263 -1.102 516 2HB ASP 61 HB1 ASP 61 -17.365 6.437 -2.169 517 H GLU 62 HN GLU 62 -14.186 6.989 -1.106 518 HA GLU 62 HA GLU 62 -14.884 8.014 1.602 519 1HB GLU 62 HB2 GLU 62 -12.561 8.700 -0.231 520 2HB GLU 62 HB1 GLU 62 -12.760 9.247 1.433 521 1HG GLU 62 HG2 GLU 62 -12.551 6.343 0.583 522 2HG GLU 62 HG1 GLU 62 -11.225 7.291 1.255 523 H ASP 63 HN ASP 63 -14.760 8.960 -1.800 524 HA ASP 63 HA ASP 63 -15.848 11.657 -1.115 525 1HB ASP 63 HB2 ASP 63 -15.252 12.240 -3.436 526 2HB ASP 63 HB1 ASP 63 -13.856 11.618 -2.555 527 H GLY 64 HN GLY 64 -16.926 8.606 -2.071 528 1HA GLY 64 HA2 GLY 64 -19.078 7.915 -2.738 529 2HA GLY 64 HA1 GLY 64 -19.599 9.588 -2.551 530 H ASP 65 HN ASP 65 -17.012 8.438 -4.720 531 HA ASP 65 HA ASP 65 -18.300 9.844 -6.945 532 1HB ASP 65 HB2 ASP 65 -16.343 9.151 -8.241 533 2HB ASP 65 HB1 ASP 65 -15.826 9.795 -6.683 534 H GLY 66 HN GLY 66 -18.516 6.728 -5.604 535 1HA GLY 66 HA2 GLY 66 -19.870 4.925 -6.284 536 2HA GLY 66 HA1 GLY 66 -20.331 5.866 -7.700 537 H GLU 67 HN GLU 67 -16.949 5.688 -7.418 538 HA GLU 67 HA GLU 67 -16.767 3.170 -8.998 539 1HB GLU 67 HB2 GLU 67 -15.821 5.886 -9.952 540 2HB GLU 67 HB1 GLU 67 -15.279 4.363 -10.656 541 1HG GLU 67 HG2 GLU 67 -17.618 3.768 -11.176 542 2HG GLU 67 HG1 GLU 67 -18.158 5.300 -10.488 543 H CYS 68 HN CYS 68 -14.513 2.413 -9.185 544 HA CYS 68 HA CYS 68 -12.991 3.085 -6.740 545 1HB CYS 68 HB2 CYS 68 -13.414 0.696 -7.561 546 2HB CYS 68 HB1 CYS 68 -12.257 1.041 -8.847 547 HG CYS 68 HG CYS 68 -11.564 0.616 -5.884 548 H ASP 69 HN ASP 69 -11.790 4.894 -6.979 549 HA ASP 69 HA ASP 69 -10.446 5.489 -9.546 550 1HB ASP 69 HB2 ASP 69 -10.764 7.011 -6.949 551 2HB ASP 69 HB1 ASP 69 -9.725 7.578 -8.257 552 H PHE 70 HN PHE 70 -8.092 6.550 -8.973 553 HA PHE 70 HA PHE 70 -6.417 4.330 -8.412 554 1HB PHE 70 HB2 PHE 70 -5.973 6.709 -9.555 555 2HB PHE 70 HB1 PHE 70 -5.406 7.126 -7.941 556 HD1 PHE 70 HD1 PHE 70 -3.658 5.551 -6.845 557 HD2 PHE 70 HD2 PHE 70 -4.596 5.509 -11.038 558 HE1 PHE 70 HE1 PHE 70 -1.516 4.389 -7.320 559 HE2 PHE 70 HE2 PHE 70 -2.454 4.353 -11.508 560 HZ PHE 70 HZ PHE 70 -0.914 3.793 -9.647 561 H GLN 71 HN GLN 71 -7.501 7.006 -6.319 562 HA GLN 71 HA GLN 71 -5.939 6.170 -4.034 563 1HB GLN 71 HB2 GLN 71 -8.370 7.937 -4.354 564 2HB GLN 71 HB1 GLN 71 -7.653 7.623 -2.777 565 1HG GLN 71 HG2 GLN 71 -5.786 8.495 -4.962 566 2HG GLN 71 HG1 GLN 71 -6.888 9.711 -4.328 567 1HE2 GLN 71 HE22 GLN 71 -4.890 8.181 -1.165 568 2HE2 GLN 71 HE21 GLN 71 -6.032 7.264 -2.024 569 H GLU 72 HN GLU 72 -9.283 5.514 -5.097 570 HA GLU 72 HA GLU 72 -10.127 4.138 -2.753 571 1HB GLU 72 HB2 GLU 72 -10.926 3.803 -5.655 572 2HB GLU 72 HB1 GLU 72 -11.730 2.963 -4.329 573 1HG GLU 72 HG2 GLU 72 -11.402 5.968 -4.326 574 2HG GLU 72 HG1 GLU 72 -12.773 5.190 -5.113 575 H PHE 73 HN PHE 73 -8.430 2.973 -5.654 576 HA PHE 73 HA PHE 73 -8.443 0.207 -4.966 577 1HB PHE 73 HB2 PHE 73 -7.737 1.096 -7.184 578 2HB PHE 73 HB1 PHE 73 -6.277 1.740 -6.435 579 HD1 PHE 73 HD2 PHE 73 -8.060 -1.308 -7.461 580 HD2 PHE 73 HD1 PHE 73 -4.500 0.253 -5.636 581 HE1 PHE 73 HE2 PHE 73 -6.970 -3.522 -7.698 582 HE2 PHE 73 HE1 PHE 73 -3.407 -1.961 -5.876 583 HZ PHE 73 HZ PHE 73 -4.643 -3.849 -6.907 584 H MET 74 HN MET 74 -6.150 2.812 -4.205 585 HA MET 74 HA MET 74 -4.290 1.206 -2.743 586 1HB MET 74 HB2 MET 74 -3.972 3.604 -3.563 587 2HB MET 74 HB1 MET 74 -4.942 4.108 -2.180 588 1HG MET 74 HG2 MET 74 -2.705 4.254 -1.410 589 2HG MET 74 HG1 MET 74 -3.292 2.726 -0.751 590 1HE MET 74 HE2 MET 74 -0.835 2.671 -0.333 591 2HE MET 74 HE1 MET 74 -1.134 0.972 -0.692 592 3HE MET 74 HE3 MET 74 0.279 1.788 -1.374 593 H ALA 75 HN ALA 75 -7.213 2.968 -1.760 594 HA ALA 75 HA ALA 75 -6.960 2.578 1.049 595 1HB ALA 75 HB2 ALA 75 -9.438 2.816 -0.682 596 2HB ALA 75 HB1 ALA 75 -9.445 2.904 1.079 597 3HB ALA 75 HB3 ALA 75 -8.600 4.134 0.136 598 H PHE 76 HN PHE 76 -8.438 0.547 -1.467 599 HA PHE 76 HA PHE 76 -9.578 -1.399 0.257 600 1HB PHE 76 HB2 PHE 76 -10.016 -1.219 -2.193 601 2HB PHE 76 HB1 PHE 76 -8.400 -1.855 -2.499 602 HD1 PHE 76 HD1 PHE 76 -11.760 -2.626 -1.187 603 HD2 PHE 76 HD2 PHE 76 -7.864 -4.191 -2.088 604 HE1 PHE 76 HE1 PHE 76 -12.633 -4.932 -0.942 605 HE2 PHE 76 HE2 PHE 76 -8.737 -6.502 -1.845 606 HZ PHE 76 HZ PHE 76 -11.124 -6.872 -1.271 607 H VAL 77 HN VAL 77 -6.332 -1.294 -1.239 608 HA VAL 77 HA VAL 77 -5.424 -3.774 -0.137 609 HB VAL 77 HB VAL 77 -3.888 -1.285 -0.943 610 1HG1 VAL 77 HG12 VAL 77 -2.935 -4.064 -0.199 611 2HG1 VAL 77 HG11 VAL 77 -1.945 -2.908 -1.086 612 3HG1 VAL 77 HG13 VAL 77 -2.472 -2.539 0.555 613 1HG2 VAL 77 HG22 VAL 77 -4.582 -3.885 -2.332 614 2HG2 VAL 77 HG21 VAL 77 -5.015 -2.249 -2.831 615 3HG2 VAL 77 HG23 VAL 77 -3.337 -2.784 -2.924 616 H SER 78 HN SER 78 -5.323 -0.446 1.100 617 HA SER 78 HA SER 78 -3.712 -0.929 3.383 618 1HB SER 78 HB2 SER 78 -4.284 1.335 2.640 619 2HB SER 78 HB1 SER 78 -5.976 1.056 3.042 620 HG SER 78 HG SER 78 -4.127 1.973 4.622 621 H MET 79 HN MET 79 -7.235 -1.274 2.958 622 HA MET 79 HA MET 79 -7.852 -1.758 5.692 623 1HB MET 79 HB2 MET 79 -9.157 -2.857 3.180 624 2HB MET 79 HB1 MET 79 -9.854 -2.980 4.793 625 1HG MET 79 HG2 MET 79 -9.142 -0.376 3.414 626 2HG MET 79 HG1 MET 79 -10.766 -1.047 3.504 627 1HE MET 79 HE2 MET 79 -12.029 -1.525 5.397 628 2HE MET 79 HE1 MET 79 -10.984 -2.158 6.666 629 3HE MET 79 HE3 MET 79 -11.963 -0.715 6.959 630 H VAL 80 HN VAL 80 -6.901 -4.023 3.108 631 HA VAL 80 HA VAL 80 -7.033 -6.361 4.803 632 HB VAL 80 HB VAL 80 -5.610 -5.796 2.187 633 1HG1 VAL 80 HG13 VAL 80 -5.812 -8.351 3.801 634 2HG1 VAL 80 HG12 VAL 80 -5.448 -8.336 2.075 635 3HG1 VAL 80 HG11 VAL 80 -4.349 -7.559 3.214 636 1HG2 VAL 80 HG22 VAL 80 -8.165 -5.878 2.343 637 2HG2 VAL 80 HG21 VAL 80 -7.421 -6.980 1.185 638 3HG2 VAL 80 HG23 VAL 80 -7.983 -7.587 2.742 639 H THR 81 HN THR 81 -4.399 -4.203 3.779 640 HA THR 81 HA THR 81 -2.252 -5.582 5.019 641 HB THR 81 HB THR 81 -2.598 -2.615 4.541 642 HG1 THR 81 HG1 THR 81 -2.437 -4.618 2.879 643 1HG2 THR 81 HG23 THR 81 -0.248 -4.310 5.344 644 2HG2 THR 81 HG22 THR 81 -0.003 -2.862 4.369 645 3HG2 THR 81 HG21 THR 81 -0.753 -2.734 5.959 646 H THR 82 HN THR 82 -4.380 -3.040 6.344 647 HA THR 82 HA THR 82 -2.952 -2.870 8.842 648 HB THR 82 HB THR 82 -4.984 -1.670 9.631 649 HG1 THR 82 HG1 THR 82 -6.214 -1.623 7.230 650 1HG2 THR 82 HG22 THR 82 -3.824 -1.007 6.924 651 2HG2 THR 82 HG21 THR 82 -4.966 0.066 7.733 652 3HG2 THR 82 HG23 THR 82 -3.416 -0.303 8.489 653 H ALA 83 HN ALA 83 -5.483 -4.952 7.630 654 HA ALA 83 HA ALA 83 -6.315 -5.958 10.213 655 1HB ALA 83 HB1 ALA 83 -7.708 -6.075 8.140 656 2HB ALA 83 HB3 ALA 83 -6.584 -7.273 7.498 657 3HB ALA 83 HB2 ALA 83 -7.529 -7.637 8.942 658 H CYS 84 HN CYS 84 -3.602 -6.665 8.152 659 HA CYS 84 HA CYS 84 -3.206 -9.385 8.970 660 1HB CYS 84 HB2 CYS 84 -0.997 -9.205 8.040 661 2HB CYS 84 HB1 CYS 84 -2.074 -8.268 7.009 662 HG CYS 84 HG CYS 84 -0.751 -6.247 7.534 663 H HIS 85 HN HIS 85 -3.154 -9.871 11.098 664 HA HIS 85 HA HIS 85 -1.500 -8.196 12.948 665 1HB HIS 85 HB2 HIS 85 -3.764 -10.154 13.367 666 2HB HIS 85 HB1 HIS 85 -2.695 -9.709 14.696 667 HD1 HIS 85 HD1 HIS 85 -2.676 -7.161 15.407 668 HD2 HIS 85 HD2 HIS 85 -5.644 -8.179 12.659 669 HE1 HIS 85 HE1 HIS 85 -4.337 -5.247 15.404 670 HE2 HIS 85 HE2 HIS 85 -6.148 -5.857 13.736 671 H GLU 86 HN GLU 86 0.145 -9.543 11.390 672 HA GLU 86 HA GLU 86 1.857 -11.132 11.342 673 1HB GLU 86 HB2 GLU 86 1.147 -11.455 14.277 674 2HB GLU 86 HB1 GLU 86 2.632 -11.996 13.504 675 1HG GLU 86 HG2 GLU 86 1.705 -9.113 13.557 676 2HG GLU 86 HG1 GLU 86 2.877 -9.796 14.684 677 H PHE 87 HN PHE 87 -1.112 -11.887 11.084 678 HA PHE 87 HA PHE 87 -1.079 -14.727 11.901 679 1HB PHE 87 HB2 PHE 87 -3.105 -12.762 11.029 680 2HB PHE 87 HB1 PHE 87 -3.345 -14.344 10.296 681 HD1 PHE 87 HD1 PHE 87 -3.001 -12.557 13.545 682 HD2 PHE 87 HD2 PHE 87 -4.129 -16.200 11.570 683 HE1 PHE 87 HE1 PHE 87 -3.991 -13.398 15.657 684 HE2 PHE 87 HE2 PHE 87 -5.120 -17.039 13.682 685 HZ PHE 87 HZ PHE 87 -5.050 -15.639 15.726 686 H PHE 88 HN PHE 88 -0.024 -12.865 9.289 687 HA PHE 88 HA PHE 88 -0.488 -14.881 7.212 688 1HB PHE 88 HB2 PHE 88 1.004 -12.259 7.345 689 2HB PHE 88 HB1 PHE 88 1.188 -13.329 5.955 690 HD1 PHE 88 HD2 PHE 88 -1.441 -11.688 8.066 691 HD2 PHE 88 HD1 PHE 88 -0.389 -13.261 4.210 692 HE1 PHE 88 HE2 PHE 88 -3.589 -10.860 7.142 693 HE2 PHE 88 HE1 PHE 88 -2.538 -12.434 3.287 694 HZ PHE 88 HZ PHE 88 -4.138 -11.233 4.752 695 H GLU 89 HN GLU 89 1.690 -14.529 9.767 696 HA GLU 89 HA GLU 89 4.128 -15.479 8.633 697 1HB GLU 89 HB2 GLU 89 2.944 -15.813 11.402 698 2HB GLU 89 HB1 GLU 89 4.574 -16.337 10.979 699 1HG GLU 89 HG2 GLU 89 5.139 -14.036 10.293 700 2HG GLU 89 HG1 GLU 89 3.511 -13.509 10.719 701 H HIS 90 HN HIS 90 4.865 -17.842 9.697 702 HA HIS 90 HA HIS 90 3.628 -19.778 8.023 703 1HB HIS 90 HB2 HIS 90 5.141 -20.307 10.600 704 2HB HIS 90 HB1 HIS 90 4.918 -21.433 9.261 705 HD1 HIS 90 HD1 HIS 90 7.089 -18.719 10.456 706 HD2 HIS 90 HD2 HIS 90 6.303 -20.566 6.798 707 HE1 HIS 90 HE1 HIS 90 8.979 -18.063 8.900 708 HE2 HIS 90 HE2 HIS 90 8.511 -19.182 6.672 709 H GLU 91 HN GLU 91 1.922 -21.195 8.381 710 HA GLU 91 HA GLU 91 0.720 -21.374 11.086 711 1HB GLU 91 HB2 GLU 91 -1.505 -20.762 10.253 712 2HB GLU 91 HB1 GLU 91 -0.372 -19.440 9.985 713 1HG GLU 91 HG2 GLU 91 -1.476 -19.581 7.919 714 2HG GLU 91 HG1 GLU 91 -0.017 -20.529 7.634 715 1H MET 0 HT1 MET 0 -4.475 -16.305 -6.202 716 2H MET 0 HT3 MET 0 -4.203 -17.905 -6.692 717 3H MET 0 HT2 MET 0 -4.422 -17.549 -5.045 718 HA MET 0 HA MET 0 -2.372 -16.331 -4.967 719 1HB MET 0 HB2 MET 0 -0.813 -18.261 -5.714 720 2HB MET 0 HB1 MET 0 -2.023 -18.619 -4.485 721 1HG MET 0 HG2 MET 0 -3.530 -19.526 -6.225 722 2HG MET 0 HG1 MET 0 -2.325 -19.154 -7.457 723 1HE MET 0 HE2 MET 0 -3.114 -20.642 -4.222 724 2HE MET 0 HE1 MET 0 -3.257 -22.282 -4.844 725 3HE MET 0 HE3 MET 0 -1.867 -21.827 -3.854 726 H SER 1 HN SER 1 -1.078 -14.942 -6.076 727 HA SER 1 HA SER 1 -0.299 -15.448 -8.837 728 1HB SER 1 HB2 SER 1 -2.636 -14.527 -9.056 729 2HB SER 1 HB1 SER 1 -2.066 -13.045 -8.296 730 HG SER 1 HG SER 1 -1.176 -14.224 -10.719 731 H GLU 2 HN GLU 2 0.381 -12.821 -9.539 732 HA GLU 2 HA GLU 2 2.836 -12.446 -8.156 733 1HB GLU 2 HB2 GLU 2 2.414 -11.593 -10.436 734 2HB GLU 2 HB1 GLU 2 1.257 -10.433 -9.786 735 1HG GLU 2 HG2 GLU 2 3.005 -9.340 -8.489 736 2HG GLU 2 HG1 GLU 2 4.178 -10.562 -8.984 737 H LEU 3 HN LEU 3 -0.320 -10.878 -7.745 738 HA LEU 3 HA LEU 3 0.483 -8.884 -5.886 739 1HB LEU 3 HB2 LEU 3 -2.142 -10.375 -6.153 740 2HB LEU 3 HB1 LEU 3 -1.917 -8.958 -5.133 741 HG LEU 3 HG LEU 3 -1.251 -8.929 -8.086 742 1HD1 LEU 3 HD13 LEU 3 -3.888 -8.411 -6.699 743 2HD1 LEU 3 HD12 LEU 3 -3.513 -7.748 -8.290 744 3HD1 LEU 3 HD11 LEU 3 -3.566 -9.494 -8.052 745 1HD2 LEU 3 HD22 LEU 3 -1.682 -6.830 -5.945 746 2HD2 LEU 3 HD21 LEU 3 -0.296 -7.036 -7.012 747 3HD2 LEU 3 HD23 LEU 3 -1.819 -6.432 -7.655 748 H GLU 4 HN GLU 4 -0.380 -12.295 -5.398 749 HA GLU 4 HA GLU 4 -0.519 -12.231 -2.555 750 1HB GLU 4 HB2 GLU 4 -1.144 -14.194 -4.013 751 2HB GLU 4 HB1 GLU 4 0.577 -14.501 -4.244 752 1HG GLU 4 HG2 GLU 4 0.834 -14.678 -1.759 753 2HG GLU 4 HG1 GLU 4 -0.914 -14.503 -1.603 754 H LYS 5 HN LYS 5 2.275 -12.738 -4.734 755 HA LYS 5 HA LYS 5 4.170 -13.077 -2.585 756 1HB LYS 5 HB2 LYS 5 4.517 -12.240 -5.477 757 2HB LYS 5 HB1 LYS 5 5.869 -12.501 -4.378 758 1HG LYS 5 HG2 LYS 5 5.114 -14.825 -4.003 759 2HG LYS 5 HG1 LYS 5 3.766 -14.560 -5.111 760 1HD LYS 5 HD2 LYS 5 5.355 -14.075 -6.935 761 2HD LYS 5 HD1 LYS 5 6.705 -14.341 -5.833 762 1HE LYS 5 HE2 LYS 5 6.270 -16.357 -7.181 763 2HE LYS 5 HE1 LYS 5 5.952 -16.666 -5.474 764 1HZ LYS 5 HZ3 LYS 5 3.720 -15.684 -7.065 765 2HZ LYS 5 HZ2 LYS 5 4.233 -17.273 -7.381 766 3HZ LYS 5 HZ1 LYS 5 3.740 -16.831 -5.816 767 H ALA 6 HN ALA 6 3.069 -10.274 -4.469 768 HA ALA 6 HA ALA 6 4.916 -8.387 -3.382 769 1HB ALA 6 HB2 ALA 6 3.452 -7.958 -5.362 770 2HB ALA 6 HB1 ALA 6 2.063 -7.872 -4.278 771 3HB ALA 6 HB3 ALA 6 3.356 -6.678 -4.153 772 H MET 7 HN MET 7 1.613 -9.281 -2.349 773 HA MET 7 HA MET 7 1.485 -7.528 -0.107 774 1HB MET 7 HB2 MET 7 -0.426 -8.882 -1.084 775 2HB MET 7 HB1 MET 7 0.253 -10.292 -0.272 776 1HG MET 7 HG2 MET 7 -1.377 -9.449 1.241 777 2HG MET 7 HG1 MET 7 0.165 -8.890 1.884 778 1HE MET 7 HE3 MET 7 -2.611 -8.372 -0.422 779 2HE MET 7 HE2 MET 7 -3.467 -7.405 0.774 780 3HE MET 7 HE1 MET 7 -2.821 -6.636 -0.672 781 H VAL 8 HN VAL 8 2.601 -10.900 -0.376 782 HA VAL 8 HA VAL 8 3.318 -11.154 2.404 783 HB VAL 8 HB VAL 8 4.187 -12.658 -0.081 784 1HG1 VAL 8 HG12 VAL 8 4.823 -13.119 2.838 785 2HG1 VAL 8 HG11 VAL 8 4.892 -14.415 1.644 786 3HG1 VAL 8 HG13 VAL 8 5.948 -13.011 1.485 787 1HG2 VAL 8 HG21 VAL 8 1.770 -12.753 0.705 788 2HG2 VAL 8 HG23 VAL 8 2.594 -14.309 0.623 789 3HG2 VAL 8 HG22 VAL 8 2.364 -13.514 2.181 790 H ALA 9 HN ALA 9 5.142 -10.267 -0.521 791 HA ALA 9 HA ALA 9 7.712 -10.142 0.719 792 1HB ALA 9 HB3 ALA 9 6.600 -8.625 -1.658 793 2HB ALA 9 HB2 ALA 9 8.305 -8.660 -1.207 794 3HB ALA 9 HB1 ALA 9 7.492 -10.146 -1.704 795 H LEU 10 HN LEU 10 5.231 -7.626 0.226 796 HA LEU 10 HA LEU 10 6.730 -5.474 1.308 797 1HB LEU 10 HB2 LEU 10 4.622 -5.143 0.081 798 2HB LEU 10 HB1 LEU 10 3.729 -5.921 1.386 799 HG LEU 10 HG LEU 10 4.432 -4.145 2.946 800 1HD1 LEU 10 HD11 LEU 10 6.041 -3.263 0.556 801 2HD1 LEU 10 HD13 LEU 10 5.471 -2.055 1.710 802 3HD1 LEU 10 HD12 LEU 10 6.521 -3.360 2.251 803 1HD2 LEU 10 HD22 LEU 10 3.169 -3.273 0.338 804 2HD2 LEU 10 HD21 LEU 10 2.354 -3.743 1.830 805 3HD2 LEU 10 HD23 LEU 10 3.247 -2.224 1.753 806 H ILE 11 HN ILE 11 4.414 -7.658 2.950 807 HA ILE 11 HA ILE 11 4.809 -6.491 5.539 808 HB ILE 11 HB ILE 11 3.903 -9.282 4.773 809 1HG1 ILE 11 HG12 ILE 11 2.283 -6.862 5.618 810 2HG1 ILE 11 HG11 ILE 11 2.548 -7.316 3.935 811 1HG2 ILE 11 HG21 ILE 11 3.884 -7.772 7.396 812 2HG2 ILE 11 HG23 ILE 11 2.846 -9.166 7.093 813 3HG2 ILE 11 HG22 ILE 11 4.599 -9.349 7.064 814 1HD1 ILE 11 HD12 ILE 11 1.573 -9.576 4.458 815 2HD1 ILE 11 HD11 ILE 11 1.164 -8.973 6.065 816 3HD1 ILE 11 HD13 ILE 11 0.423 -8.249 4.637 817 H ASP 12 HN ASP 12 6.390 -9.214 3.882 818 HA ASP 12 HA ASP 12 7.918 -10.144 6.090 819 1HB ASP 12 HB2 ASP 12 8.460 -10.195 3.115 820 2HB ASP 12 HB1 ASP 12 9.501 -10.997 4.293 821 H VAL 13 HN VAL 13 8.657 -7.564 3.725 822 HA VAL 13 HA VAL 13 11.330 -7.132 4.719 823 HB VAL 13 HB VAL 13 9.430 -5.358 3.159 824 1HG1 VAL 13 HG12 VAL 13 12.300 -4.904 4.015 825 2HG1 VAL 13 HG11 VAL 13 11.566 -4.051 2.658 826 3HG1 VAL 13 HG13 VAL 13 10.916 -3.846 4.285 827 1HG2 VAL 13 HG22 VAL 13 10.330 -7.445 2.077 828 2HG2 VAL 13 HG21 VAL 13 10.835 -5.959 1.271 829 3HG2 VAL 13 HG23 VAL 13 11.957 -6.814 2.327 830 H PHE 14 HN PHE 14 8.185 -5.634 5.461 831 HA PHE 14 HA PHE 14 9.139 -3.622 7.226 832 1HB PHE 14 HB2 PHE 14 6.831 -3.672 6.391 833 2HB PHE 14 HB1 PHE 14 6.520 -5.143 7.313 834 HD1 PHE 14 HD1 PHE 14 7.275 -1.522 7.569 835 HD2 PHE 14 HD2 PHE 14 6.149 -5.086 9.692 836 HE1 PHE 14 HE1 PHE 14 6.715 -0.160 9.563 837 HE2 PHE 14 HE2 PHE 14 5.585 -3.720 11.685 838 HZ PHE 14 HZ PHE 14 5.870 -1.256 11.619 839 H HIS 15 HN HIS 15 7.983 -6.924 8.005 840 HA HIS 15 HA HIS 15 8.490 -6.710 10.815 841 1HB HIS 15 HB2 HIS 15 7.048 -8.451 9.764 842 2HB HIS 15 HB1 HIS 15 8.496 -9.214 9.108 843 HD1 HIS 15 HD1 HIS 15 8.104 -7.741 12.591 844 HD2 HIS 15 HD2 HIS 15 8.652 -11.456 10.772 845 HE1 HIS 15 HE1 HIS 15 8.471 -9.410 14.463 846 HE2 HIS 15 HE2 HIS 15 8.804 -11.674 13.367 847 H GLN 16 HN GLN 16 10.479 -8.079 8.185 848 HA GLN 16 HA GLN 16 12.625 -8.966 9.816 849 1HB GLN 16 HB2 GLN 16 12.327 -9.549 7.416 850 2HB GLN 16 HB1 GLN 16 12.772 -7.900 6.979 851 1HG GLN 16 HG2 GLN 16 14.596 -9.582 8.703 852 2HG GLN 16 HG1 GLN 16 14.629 -9.729 6.947 853 1HE2 GLN 16 HE22 GLN 16 16.779 -6.831 8.503 854 2HE2 GLN 16 HE21 GLN 16 16.367 -8.293 9.261 855 H TYR 17 HN TYR 17 12.054 -5.797 8.298 856 HA TYR 17 HA TYR 17 14.578 -4.691 9.164 857 1HB TYR 17 HB2 TYR 17 12.690 -3.882 7.385 858 2HB TYR 17 HB1 TYR 17 12.233 -2.865 8.746 859 HD1 TYR 17 HD1 TYR 17 14.340 -1.743 10.006 860 HD2 TYR 17 HD2 TYR 17 14.288 -3.033 5.905 861 HE1 TYR 17 HE1 TYR 17 16.231 -0.219 9.499 862 HE2 TYR 17 HE2 TYR 17 16.175 -1.510 5.402 863 HH TYR 17 HH TYR 17 17.515 0.073 6.184 864 H SER 18 HN SER 18 11.299 -4.696 10.522 865 HA SER 18 HA SER 18 11.780 -2.921 12.694 866 1HB SER 18 HB2 SER 18 9.518 -3.649 12.095 867 2HB SER 18 HB1 SER 18 9.917 -5.310 12.525 868 HG SER 18 HG SER 18 9.724 -4.820 14.572 869 H GLY 19 HN GLY 19 12.283 -6.424 12.382 870 1HA GLY 19 HA2 GLY 19 13.122 -6.726 15.146 871 2HA GLY 19 HA1 GLY 19 13.276 -7.945 13.885 872 H ARG 20 HN ARG 20 14.647 -5.451 12.398 873 HA ARG 20 HA ARG 20 17.311 -6.397 12.749 874 1HB ARG 20 HB2 ARG 20 16.077 -4.724 10.964 875 2HB ARG 20 HB1 ARG 20 16.974 -3.544 11.910 876 1HG ARG 20 HG2 ARG 20 18.255 -6.017 10.696 877 2HG ARG 20 HG1 ARG 20 18.186 -4.461 9.875 878 1HD ARG 20 HD2 ARG 20 19.369 -4.823 12.630 879 2HD ARG 20 HD1 ARG 20 20.322 -4.882 11.153 880 HE ARG 20 HE ARG 20 18.991 -2.487 10.922 881 1HH1 ARG 20 HH21 ARG 20 20.861 -4.029 13.378 882 2HH1 ARG 20 HH22 ARG 20 21.513 -2.549 13.998 883 1HH2 ARG 20 HH11 ARG 20 19.836 -0.544 11.718 884 2HH2 ARG 20 HH12 ARG 20 20.933 -0.576 13.058 885 H GLU 21 HN GLU 21 15.589 -3.641 14.218 886 HA GLU 21 HA GLU 21 17.910 -3.173 16.030 887 1HB GLU 21 HB2 GLU 21 15.941 -1.462 14.823 888 2HB GLU 21 HB1 GLU 21 15.702 -1.375 16.564 889 1HG GLU 21 HG2 GLU 21 18.372 -0.974 15.172 890 2HG GLU 21 HG1 GLU 21 17.322 0.329 15.732 891 H GLY 22 HN GLY 22 17.354 -2.850 18.376 892 1HA GLY 22 HA2 GLY 22 16.144 -5.154 19.477 893 2HA GLY 22 HA1 GLY 22 16.467 -3.676 20.381 894 H ASP 23 HN ASP 23 14.671 -2.155 18.420 895 HA ASP 23 HA ASP 23 12.209 -2.565 19.950 896 1HB ASP 23 HB2 ASP 23 12.936 -0.698 17.681 897 2HB ASP 23 HB1 ASP 23 11.350 -0.713 18.452 898 H LYS 24 HN LYS 24 11.624 -4.706 19.291 899 HA LYS 24 HA LYS 24 11.178 -5.446 16.537 900 1HB LYS 24 HB2 LYS 24 10.172 -6.595 19.147 901 2HB LYS 24 HB1 LYS 24 9.888 -7.345 17.577 902 1HG LYS 24 HG2 LYS 24 12.317 -7.476 17.189 903 2HG LYS 24 HG1 LYS 24 12.614 -6.727 18.752 904 1HD LYS 24 HD2 LYS 24 10.976 -9.254 18.532 905 2HD LYS 24 HD1 LYS 24 12.735 -9.322 18.582 906 1HE LYS 24 HE2 LYS 24 10.922 -8.111 20.694 907 2HE LYS 24 HE1 LYS 24 11.882 -9.577 20.843 908 1HZ LYS 24 HZ1 LYS 24 13.693 -7.713 20.070 909 2HZ LYS 24 HZ3 LYS 24 12.686 -6.839 21.118 910 3HZ LYS 24 HZ2 LYS 24 13.451 -8.255 21.661 911 H HIS 25 HN HIS 25 9.037 -4.232 19.109 912 HA HIS 25 HA HIS 25 6.612 -4.594 17.631 913 1HB HIS 25 HB2 HIS 25 7.392 -3.624 20.223 914 2HB HIS 25 HB1 HIS 25 6.291 -2.443 19.528 915 HD1 HIS 25 HD1 HIS 25 3.848 -3.209 19.057 916 HD2 HIS 25 HD2 HIS 25 6.228 -6.171 20.783 917 HE1 HIS 25 HE1 HIS 25 2.276 -5.059 19.791 918 HE2 HIS 25 HE2 HIS 25 3.714 -6.863 20.842 919 H LYS 26 HN LYS 26 8.844 -1.812 17.751 920 HA LYS 26 HA LYS 26 7.329 -0.665 15.456 921 1HB LYS 26 HB2 LYS 26 7.274 1.567 16.588 922 2HB LYS 26 HB1 LYS 26 6.265 0.357 17.381 923 1HG LYS 26 HG2 LYS 26 8.049 -0.084 19.020 924 2HG LYS 26 HG1 LYS 26 9.089 1.088 18.213 925 1HD LYS 26 HD2 LYS 26 8.196 2.372 19.949 926 2HD LYS 26 HD1 LYS 26 7.097 2.754 18.625 927 1HE LYS 26 HE2 LYS 26 5.498 1.071 19.446 928 2HE LYS 26 HE1 LYS 26 6.609 0.634 20.743 929 1HZ LYS 26 HZ2 LYS 26 6.085 3.449 20.604 930 2HZ LYS 26 HZ1 LYS 26 4.683 2.533 20.887 931 3HZ LYS 26 HZ3 LYS 26 6.010 2.396 21.935 932 H LEU 27 HN LEU 27 8.451 1.327 14.600 933 HA LEU 27 HA LEU 27 11.426 0.960 14.739 934 1HB LEU 27 HB2 LEU 27 9.744 2.184 12.523 935 2HB LEU 27 HB1 LEU 27 11.480 1.894 12.481 936 HG LEU 27 HG LEU 27 10.676 -0.627 13.059 937 1HD1 LEU 27 HD12 LEU 27 8.263 -0.022 13.080 938 2HD1 LEU 27 HD11 LEU 27 8.401 0.531 11.413 939 3HD1 LEU 27 HD13 LEU 27 8.633 -1.172 11.798 940 1HD2 LEU 27 HD21 LEU 27 10.611 0.597 10.281 941 2HD2 LEU 27 HD23 LEU 27 12.058 0.040 11.123 942 3HD2 LEU 27 HD22 LEU 27 10.816 -1.117 10.644 943 H LYS 28 HN LYS 28 12.689 2.765 15.208 944 HA LYS 28 HA LYS 28 11.216 5.234 16.020 945 1HB LYS 28 HB2 LYS 28 13.565 5.726 17.098 946 2HB LYS 28 HB1 LYS 28 12.473 4.579 17.868 947 1HG LYS 28 HG2 LYS 28 13.657 2.713 16.733 948 2HG LYS 28 HG1 LYS 28 14.780 3.878 16.024 949 1HD LYS 28 HD2 LYS 28 15.570 4.546 18.213 950 2HD LYS 28 HD1 LYS 28 14.320 3.592 19.008 951 1HE LYS 28 HE2 LYS 28 16.221 2.219 19.173 952 2HE LYS 28 HE1 LYS 28 15.392 1.567 17.762 953 1HZ LYS 28 HZ3 LYS 28 17.118 3.715 17.058 954 2HZ LYS 28 HZ2 LYS 28 17.969 2.490 17.872 955 3HZ LYS 28 HZ1 LYS 28 17.085 2.124 16.469 956 H LYS 29 HN LYS 29 12.912 7.229 15.834 957 HA LYS 29 HA LYS 29 12.993 7.878 13.074 958 1HB LYS 29 HB2 LYS 29 14.179 9.877 13.718 959 2HB LYS 29 HB1 LYS 29 13.001 9.528 14.981 960 1HG LYS 29 HG2 LYS 29 14.832 8.365 16.266 961 2HG LYS 29 HG1 LYS 29 15.980 8.940 15.057 962 1HD LYS 29 HD2 LYS 29 15.143 11.286 15.530 963 2HD LYS 29 HD1 LYS 29 14.268 10.612 16.906 964 1HE LYS 29 HE2 LYS 29 17.254 10.296 16.487 965 2HE LYS 29 HE1 LYS 29 16.531 11.541 17.503 966 1HZ LYS 29 HZ1 LYS 29 15.380 9.108 18.209 967 2HZ LYS 29 HZ3 LYS 29 17.055 8.856 18.131 968 3HZ LYS 29 HZ2 LYS 29 16.428 10.076 19.132 969 H SER 30 HN SER 30 15.558 6.618 15.196 970 HA SER 30 HA SER 30 17.713 6.935 13.369 971 1HB SER 30 HB2 SER 30 18.867 5.277 14.692 972 2HB SER 30 HB1 SER 30 17.885 6.241 15.793 973 HG SER 30 HG SER 30 17.842 3.673 15.577 974 H GLU 31 HN GLU 31 15.419 4.228 13.784 975 HA GLU 31 HA GLU 31 16.604 2.576 11.747 976 1HB GLU 31 HB2 GLU 31 13.774 2.697 12.837 977 2HB GLU 31 HB1 GLU 31 14.369 1.427 11.768 978 1HG GLU 31 HG2 GLU 31 16.100 0.838 13.423 979 2HG GLU 31 HG1 GLU 31 15.508 2.112 14.492 980 H LEU 32 HN LEU 32 14.010 4.996 11.724 981 HA LEU 32 HA LEU 32 13.227 4.630 8.996 982 1HB LEU 32 HB2 LEU 32 11.864 5.861 10.650 983 2HB LEU 32 HB1 LEU 32 13.099 7.114 10.738 984 HG LEU 32 HG LEU 32 12.762 7.616 8.339 985 1HD1 LEU 32 HD11 LEU 32 10.921 5.247 8.562 986 2HD1 LEU 32 HD13 LEU 32 10.498 6.538 7.436 987 3HD1 LEU 32 HD12 LEU 32 12.030 5.686 7.264 988 1HD2 LEU 32 HD22 LEU 32 11.390 8.677 10.216 989 2HD2 LEU 32 HD21 LEU 32 10.676 8.766 8.606 990 3HD2 LEU 32 HD23 LEU 32 10.090 7.574 9.765 991 H LYS 33 HN LYS 33 15.561 6.862 10.515 992 HA LYS 33 HA LYS 33 16.341 8.232 8.145 993 1HB LYS 33 HB2 LYS 33 16.942 8.854 10.523 994 2HB LYS 33 HB1 LYS 33 18.142 7.564 10.489 995 1HG LYS 33 HG2 LYS 33 19.066 8.684 8.373 996 2HG LYS 33 HG1 LYS 33 18.056 10.066 8.793 997 1HD LYS 33 HD2 LYS 33 20.211 8.833 10.536 998 2HD LYS 33 HD1 LYS 33 20.313 10.379 9.694 999 1HE LYS 33 HE2 LYS 33 18.551 9.633 12.029 1000 2HE LYS 33 HE1 LYS 33 19.708 10.959 11.911 1001 1HZ LYS 33 HZ2 LYS 33 18.255 11.850 10.085 1002 2HZ LYS 33 HZ1 LYS 33 17.089 10.707 10.552 1003 3HZ LYS 33 HZ3 LYS 33 17.584 11.904 11.647 1004 H GLU 34 HN GLU 34 17.768 5.349 9.692 1005 HA GLU 34 HA GLU 34 19.816 4.936 7.752 1006 1HB GLU 34 HB2 GLU 34 19.675 3.822 10.010 1007 2HB GLU 34 HB1 GLU 34 18.415 2.778 9.347 1008 1HG GLU 34 HG2 GLU 34 19.975 2.005 7.594 1009 2HG GLU 34 HG1 GLU 34 21.234 3.044 8.260 1010 H LEU 35 HN LEU 35 16.469 3.754 7.903 1011 HA LEU 35 HA LEU 35 16.551 1.906 5.787 1012 1HB LEU 35 HB2 LEU 35 14.591 2.808 7.412 1013 2HB LEU 35 HB1 LEU 35 14.154 3.708 5.964 1014 HG LEU 35 HG LEU 35 14.555 0.703 6.100 1015 1HD1 LEU 35 HD11 LEU 35 12.035 2.377 5.919 1016 2HD1 LEU 35 HD13 LEU 35 12.095 0.620 5.777 1017 3HD1 LEU 35 HD12 LEU 35 12.537 1.398 7.297 1018 1HD2 LEU 35 HD21 LEU 35 13.752 2.601 3.887 1019 2HD2 LEU 35 HD23 LEU 35 15.062 1.421 3.890 1020 3HD2 LEU 35 HD22 LEU 35 13.390 0.875 3.825 1021 H ILE 36 HN ILE 36 16.134 5.450 5.638 1022 HA ILE 36 HA ILE 36 15.733 5.585 2.798 1023 HB ILE 36 HB ILE 36 17.039 7.643 4.610 1024 1HG1 ILE 36 HG12 ILE 36 14.859 7.104 5.525 1025 2HG1 ILE 36 HG11 ILE 36 14.726 8.643 4.682 1026 1HG2 ILE 36 HG21 ILE 36 15.890 7.719 1.823 1027 2HG2 ILE 36 HG23 ILE 36 15.940 9.175 2.815 1028 3HG2 ILE 36 HG22 ILE 36 17.436 8.340 2.402 1029 1HD1 ILE 36 HD12 ILE 36 13.983 7.211 2.643 1030 2HD1 ILE 36 HD11 ILE 36 13.700 5.942 3.837 1031 3HD1 ILE 36 HD13 ILE 36 12.830 7.471 3.953 1032 H ASN 37 HN ASN 37 18.695 5.666 4.784 1033 HA ASN 37 HA ASN 37 20.498 6.251 2.660 1034 1HB ASN 37 HB2 ASN 37 21.170 6.330 5.025 1035 2HB ASN 37 HB1 ASN 37 20.993 4.578 5.139 1036 1HD2 ASN 37 HD22 ASN 37 24.356 4.220 4.160 1037 2HD2 ASN 37 HD21 ASN 37 23.131 3.819 5.265 1038 H ASN 38 HN ASN 38 19.259 3.117 3.831 1039 HA ASN 38 HA ASN 38 20.896 1.630 1.926 1040 1HB ASN 38 HB2 ASN 38 18.546 0.775 3.637 1041 2HB ASN 38 HB1 ASN 38 19.585 -0.324 2.727 1042 1HD2 ASN 38 HD22 ASN 38 22.464 0.536 4.883 1043 2HD2 ASN 38 HD21 ASN 38 22.130 0.484 3.219 1044 H GLU 39 HN GLU 39 17.356 2.156 2.212 1045 HA GLU 39 HA GLU 39 17.118 1.597 -0.729 1046 1HB GLU 39 HB2 GLU 39 15.199 1.249 1.575 1047 2HB GLU 39 HB1 GLU 39 14.607 1.371 -0.079 1048 1HG GLU 39 HG2 GLU 39 14.904 -0.976 0.485 1049 2HG GLU 39 HG1 GLU 39 16.114 -0.520 -0.713 1050 H LEU 40 HN LEU 40 15.219 2.879 -1.708 1051 HA LEU 40 HA LEU 40 14.445 4.977 -2.379 1052 1HB LEU 40 HB2 LEU 40 14.364 5.203 0.629 1053 2HB LEU 40 HB1 LEU 40 13.746 6.465 -0.426 1054 HG LEU 40 HG LEU 40 12.851 3.588 -0.708 1055 1HD1 LEU 40 HD11 LEU 40 11.639 5.748 1.046 1056 2HD1 LEU 40 HD13 LEU 40 10.888 4.192 0.693 1057 3HD1 LEU 40 HD12 LEU 40 12.394 4.256 1.607 1058 1HD2 LEU 40 HD21 LEU 40 11.809 6.289 -1.614 1059 2HD2 LEU 40 HD23 LEU 40 12.161 4.866 -2.593 1060 3HD2 LEU 40 HD22 LEU 40 10.753 4.883 -1.539 1061 H SER 41 HN SER 41 17.466 4.547 -1.331 1062 HA SER 41 HA SER 41 18.360 7.186 -0.659 1063 1HB SER 41 HB2 SER 41 20.605 6.358 -1.266 1064 2HB SER 41 HB1 SER 41 19.742 5.185 -0.275 1065 HG SER 41 HG SER 41 20.839 4.699 -2.537 1066 H HIS 42 HN HIS 42 17.993 5.514 -3.788 1067 HA HIS 42 HA HIS 42 19.133 7.675 -5.343 1068 1HB HIS 42 HB2 HIS 42 17.264 5.404 -6.077 1069 2HB HIS 42 HB1 HIS 42 17.895 6.553 -7.255 1070 HD1 HIS 42 HD1 HIS 42 19.013 3.818 -4.900 1071 HD2 HIS 42 HD2 HIS 42 20.579 6.143 -7.989 1072 HE1 HIS 42 HE1 HIS 42 21.259 2.805 -5.493 1073 HE2 HIS 42 HE2 HIS 42 22.219 4.213 -7.373 1074 H PHE 43 HN PHE 43 15.854 6.788 -4.354 1075 HA PHE 43 HA PHE 43 14.533 8.868 -5.849 1076 1HB PHE 43 HB2 PHE 43 13.716 7.245 -3.420 1077 2HB PHE 43 HB1 PHE 43 12.640 8.385 -4.227 1078 HD1 PHE 43 HD2 PHE 43 14.599 5.263 -4.672 1079 HD2 PHE 43 HD1 PHE 43 11.604 7.852 -6.337 1080 HE1 PHE 43 HE2 PHE 43 14.035 3.526 -6.346 1081 HE2 PHE 43 HE1 PHE 43 11.044 6.117 -8.019 1082 HZ PHE 43 HZ PHE 43 12.256 3.953 -8.023 1083 H LEU 44 HN LEU 44 15.819 8.619 -2.555 1084 HA LEU 44 HA LEU 44 15.355 11.567 -2.174 1085 1HB LEU 44 HB2 LEU 44 15.384 9.232 -0.255 1086 2HB LEU 44 HB1 LEU 44 15.723 10.860 0.321 1087 HG LEU 44 HG LEU 44 13.542 11.600 -0.709 1088 1HD1 LEU 44 HD11 LEU 44 13.410 8.653 -1.310 1089 2HD1 LEU 44 HD13 LEU 44 11.920 9.523 -0.945 1090 3HD1 LEU 44 HD12 LEU 44 12.918 10.022 -2.304 1091 1HD2 LEU 44 HD21 LEU 44 13.444 9.415 1.395 1092 2HD2 LEU 44 HD23 LEU 44 13.753 11.126 1.692 1093 3HD2 LEU 44 HD22 LEU 44 12.173 10.604 1.109 1094 H GLU 45 HN GLU 45 17.262 12.685 -2.397 1095 HA GLU 45 HA GLU 45 19.779 11.430 -1.366 1096 1HB GLU 45 HB2 GLU 45 20.998 12.302 -3.308 1097 2HB GLU 45 HB1 GLU 45 19.721 11.203 -3.824 1098 1HG GLU 45 HG2 GLU 45 18.255 13.136 -4.306 1099 2HG GLU 45 HG1 GLU 45 19.544 14.233 -3.814 1100 H GLU 46 HN GLU 46 17.967 13.504 -0.216 1101 HA GLU 46 HA GLU 46 20.033 15.644 0.094 1102 1HB GLU 46 HB2 GLU 46 18.086 16.263 -1.502 1103 2HB GLU 46 HB1 GLU 46 17.083 16.288 -0.052 1104 1HG GLU 46 HG2 GLU 46 18.500 17.991 0.959 1105 2HG GLU 46 HG1 GLU 46 19.638 17.892 -0.386 1106 H ILE 47 HN ILE 47 19.629 13.492 1.847 1107 HA ILE 47 HA ILE 47 18.137 14.703 4.152 1108 HB ILE 47 HB ILE 47 19.053 11.849 3.684 1109 1HG1 ILE 47 HG12 ILE 47 17.097 12.841 2.267 1110 2HG1 ILE 47 HG11 ILE 47 16.852 11.301 3.075 1111 1HG2 ILE 47 HG22 ILE 47 17.500 13.161 5.925 1112 2HG2 ILE 47 HG21 ILE 47 17.510 11.418 5.659 1113 3HG2 ILE 47 HG23 ILE 47 19.012 12.261 6.039 1114 1HD1 ILE 47 HD13 ILE 47 16.094 13.776 4.582 1115 2HD1 ILE 47 HD12 ILE 47 15.057 13.274 3.252 1116 3HD1 ILE 47 HD11 ILE 47 15.353 12.178 4.600 1117 H LYS 48 HN LYS 48 19.378 15.549 5.741 1118 HA LYS 48 HA LYS 48 21.910 14.269 6.503 1119 1HB LYS 48 HB2 LYS 48 22.582 15.787 4.644 1120 2HB LYS 48 HB1 LYS 48 21.915 17.150 5.543 1121 1HG LYS 48 HG2 LYS 48 23.467 16.697 7.404 1122 2HG LYS 48 HG1 LYS 48 24.126 15.318 6.527 1123 1HD LYS 48 HD2 LYS 48 24.188 18.189 5.544 1124 2HD LYS 48 HD1 LYS 48 25.544 17.353 6.296 1125 1HE LYS 48 HE2 LYS 48 25.083 15.552 4.400 1126 2HE LYS 48 HE1 LYS 48 24.319 16.920 3.588 1127 1HZ LYS 48 HZ3 LYS 48 26.757 17.764 4.685 1128 2HZ LYS 48 HZ2 LYS 48 27.039 16.343 3.798 1129 3HZ LYS 48 HZ1 LYS 48 26.306 17.682 3.053 1130 H GLU 49 HN GLU 49 19.579 16.889 6.938 1131 HA GLU 49 HA GLU 49 20.438 17.208 9.780 1132 1HB GLU 49 HB2 GLU 49 18.580 18.816 8.001 1133 2HB GLU 49 HB1 GLU 49 18.825 19.151 9.716 1134 1HG GLU 49 HG2 GLU 49 21.186 19.555 9.364 1135 2HG GLU 49 HG1 GLU 49 21.067 19.037 7.683 1136 H GLN 50 HN GLN 50 19.086 16.609 11.463 1137 HA GLN 50 HA GLN 50 17.018 14.677 10.908 1138 1HB GLN 50 HB2 GLN 50 16.710 14.565 13.305 1139 2HB GLN 50 HB1 GLN 50 18.435 14.681 12.977 1140 1HG GLN 50 HG2 GLN 50 16.657 17.019 13.766 1141 2HG GLN 50 HG1 GLN 50 17.747 16.157 14.844 1142 1HE2 GLN 50 HE22 GLN 50 20.652 17.347 12.825 1143 2HE2 GLN 50 HE21 GLN 50 20.019 15.825 13.227 1144 H GLU 51 HN GLU 51 17.029 18.116 11.234 1145 HA GLU 51 HA GLU 51 14.354 18.548 12.109 1146 1HB GLU 51 HB2 GLU 51 16.201 20.152 10.329 1147 2HB GLU 51 HB1 GLU 51 14.584 20.719 10.749 1148 1HG GLU 51 HG2 GLU 51 16.588 19.860 12.845 1149 2HG GLU 51 HG1 GLU 51 16.482 21.523 12.268 1150 H VAL 52 HN VAL 52 15.692 17.954 8.871 1151 HA VAL 52 HA VAL 52 13.220 18.327 7.459 1152 HB VAL 52 HB VAL 52 15.634 16.610 6.808 1153 1HG1 VAL 52 HG11 VAL 52 13.178 17.343 5.205 1154 2HG1 VAL 52 HG13 VAL 52 14.685 16.832 4.442 1155 3HG1 VAL 52 HG12 VAL 52 13.828 15.733 5.524 1156 1HG2 VAL 52 HG21 VAL 52 15.901 19.138 7.018 1157 2HG2 VAL 52 HG23 VAL 52 16.346 18.456 5.453 1158 3HG2 VAL 52 HG22 VAL 52 14.799 19.280 5.648 1159 H VAL 53 HN VAL 53 14.810 15.413 8.776 1160 HA VAL 53 HA VAL 53 12.730 13.589 8.029 1161 HB VAL 53 HB VAL 53 14.821 13.493 10.222 1162 1HG1 VAL 53 HG11 VAL 53 12.811 11.413 9.322 1163 2HG1 VAL 53 HG13 VAL 53 14.287 10.998 10.193 1164 3HG1 VAL 53 HG12 VAL 53 13.072 12.025 10.956 1165 1HG2 VAL 53 HG21 VAL 53 14.578 12.202 7.488 1166 2HG2 VAL 53 HG23 VAL 53 15.734 13.446 7.965 1167 3HG2 VAL 53 HG22 VAL 53 15.846 11.827 8.656 1168 H ASP 54 HN ASP 54 13.375 15.338 11.082 1169 HA ASP 54 HA ASP 54 11.135 14.337 12.522 1170 1HB ASP 54 HB2 ASP 54 12.967 15.583 13.593 1171 2HB ASP 54 HB1 ASP 54 12.470 17.048 12.747 1172 H LYS 55 HN LYS 55 11.432 17.285 10.510 1173 HA LYS 55 HA LYS 55 8.773 18.203 10.930 1174 1HB LYS 55 HB2 LYS 55 10.570 19.541 9.830 1175 2HB LYS 55 HB1 LYS 55 10.426 18.509 8.406 1176 1HG LYS 55 HG2 LYS 55 8.067 19.157 8.156 1177 2HG LYS 55 HG1 LYS 55 8.181 20.165 9.600 1178 1HD LYS 55 HD2 LYS 55 9.943 21.519 8.489 1179 2HD LYS 55 HD1 LYS 55 9.758 20.539 7.035 1180 1HE LYS 55 HE2 LYS 55 7.469 21.262 6.757 1181 2HE LYS 55 HE1 LYS 55 7.487 22.078 8.320 1182 1HZ LYS 55 HZ1 LYS 55 9.642 23.000 6.766 1183 2HZ LYS 55 HZ3 LYS 55 8.221 23.119 5.847 1184 3HZ LYS 55 HZ2 LYS 55 8.315 23.876 7.364 1185 H VAL 56 HN VAL 56 10.094 16.056 8.409 1186 HA VAL 56 HA VAL 56 7.640 15.637 7.026 1187 HB VAL 56 HB VAL 56 10.100 13.891 7.338 1188 1HG1 VAL 56 HG12 VAL 56 7.571 13.481 5.734 1189 2HG1 VAL 56 HG11 VAL 56 9.105 12.774 5.225 1190 3HG1 VAL 56 HG13 VAL 56 8.404 12.332 6.781 1191 1HG2 VAL 56 HG22 VAL 56 10.225 16.121 6.128 1192 2HG2 VAL 56 HG21 VAL 56 10.659 14.723 5.145 1193 3HG2 VAL 56 HG23 VAL 56 9.072 15.471 4.963 1194 H MET 57 HN MET 57 9.122 13.877 9.751 1195 HA MET 57 HA MET 57 7.134 11.854 9.963 1196 1HB MET 57 HB2 MET 57 9.341 11.901 11.189 1197 2HB MET 57 HB1 MET 57 8.644 13.107 12.272 1198 1HG MET 57 HG2 MET 57 6.847 11.531 12.873 1199 2HG MET 57 HG1 MET 57 7.535 10.325 11.795 1200 1HE MET 57 HE2 MET 57 9.273 8.828 12.220 1201 2HE MET 57 HE1 MET 57 10.506 10.079 12.093 1202 3HE MET 57 HE3 MET 57 10.543 8.929 13.436 1203 H GLU 58 HN GLU 58 7.339 15.062 11.526 1204 HA GLU 58 HA GLU 58 4.928 14.848 13.028 1205 1HB GLU 58 HB2 GLU 58 6.601 16.644 13.369 1206 2HB GLU 58 HB1 GLU 58 6.167 17.334 11.805 1207 1HG GLU 58 HG2 GLU 58 3.913 17.788 12.556 1208 2HG GLU 58 HG1 GLU 58 4.193 16.917 14.065 1209 H THR 59 HN THR 59 5.520 15.979 9.710 1210 HA THR 59 HA THR 59 2.788 16.739 9.197 1211 HB THR 59 HB THR 59 4.987 15.905 7.280 1212 HG1 THR 59 HG1 THR 59 5.524 17.727 8.467 1213 1HG2 THR 59 HG21 THR 59 2.282 17.175 6.863 1214 2HG2 THR 59 HG23 THR 59 3.581 17.321 5.678 1215 3HG2 THR 59 HG22 THR 59 2.940 15.732 6.094 1216 H LEU 60 HN LEU 60 4.632 13.753 8.681 1217 HA LEU 60 HA LEU 60 2.419 12.386 7.391 1218 1HB LEU 60 HB2 LEU 60 4.916 11.831 7.159 1219 2HB LEU 60 HB1 LEU 60 4.779 11.068 8.742 1220 HG LEU 60 HG LEU 60 2.687 9.849 7.615 1221 1HD1 LEU 60 HD12 LEU 60 2.979 11.203 5.486 1222 2HD1 LEU 60 HD11 LEU 60 4.479 10.318 5.217 1223 3HD1 LEU 60 HD13 LEU 60 2.942 9.456 5.254 1224 1HD2 LEU 60 HD21 LEU 60 5.595 9.141 7.121 1225 2HD2 LEU 60 HD23 LEU 60 4.595 8.632 8.482 1226 3HD2 LEU 60 HD22 LEU 60 4.252 8.029 6.860 1227 H ASP 61 HN ASP 61 3.575 12.703 10.704 1228 HA ASP 61 HA ASP 61 2.209 10.507 11.865 1229 1HB ASP 61 HB2 ASP 61 2.825 13.253 12.985 1230 2HB ASP 61 HB1 ASP 61 2.175 11.929 13.949 1231 H GLU 62 HN GLU 62 0.065 10.093 12.029 1232 HA GLU 62 HA GLU 62 -1.868 12.275 11.426 1233 1HB GLU 62 HB2 GLU 62 -2.300 9.286 11.740 1234 2HB GLU 62 HB1 GLU 62 -3.507 10.453 11.203 1235 1HG GLU 62 HG2 GLU 62 -0.884 9.900 9.786 1236 2HG GLU 62 HG1 GLU 62 -2.449 9.249 9.302 1237 H ASP 63 HN ASP 63 -0.919 10.005 13.959 1238 HA ASP 63 HA ASP 63 -2.985 11.147 15.792 1239 1HB ASP 63 HB2 ASP 63 -2.469 9.202 17.220 1240 2HB ASP 63 HB1 ASP 63 -2.936 8.697 15.596 1241 H GLY 64 HN GLY 64 0.275 11.544 15.014 1242 1HA GLY 64 HA2 GLY 64 1.928 12.833 16.085 1243 2HA GLY 64 HA1 GLY 64 0.714 13.275 17.280 1244 H ASP 65 HN ASP 65 1.790 9.962 16.517 1245 HA ASP 65 HA ASP 65 2.285 9.502 19.369 1246 1HB ASP 65 HB2 ASP 65 2.782 7.201 18.698 1247 2HB ASP 65 HB1 ASP 65 1.301 7.743 17.909 1248 H GLY 66 HN GLY 66 4.117 10.662 16.752 1249 1HA GLY 66 HA2 GLY 66 6.359 11.382 16.737 1250 2HA GLY 66 HA1 GLY 66 6.508 10.804 18.393 1251 H GLU 67 HN GLU 67 5.292 8.357 16.376 1252 HA GLU 67 HA GLU 67 8.000 7.359 15.644 1253 1HB GLU 67 HB2 GLU 67 6.029 5.885 17.411 1254 2HB GLU 67 HB1 GLU 67 7.383 5.100 16.597 1255 1HG GLU 67 HG2 GLU 67 8.954 6.626 17.740 1256 2HG GLU 67 HG1 GLU 67 7.599 7.399 18.561 1257 H CYS 68 HN CYS 68 7.879 5.519 14.130 1258 HA CYS 68 HA CYS 68 5.568 5.828 12.311 1259 1HB CYS 68 HB2 CYS 68 8.027 5.735 11.559 1260 2HB CYS 68 HB1 CYS 68 7.949 4.008 11.908 1261 HG CYS 68 HG CYS 68 6.138 3.736 10.071 1262 H ASP 69 HN ASP 69 3.836 4.656 12.960 1263 HA ASP 69 HA ASP 69 4.195 1.973 14.158 1264 1HB ASP 69 HB2 ASP 69 1.793 3.765 13.733 1265 2HB ASP 69 HB1 ASP 69 1.649 2.111 14.328 1266 H PHE 70 HN PHE 70 2.225 0.448 13.267 1267 HA PHE 70 HA PHE 70 3.077 -0.392 10.694 1268 1HB PHE 70 HB2 PHE 70 1.634 -1.573 12.615 1269 2HB PHE 70 HB1 PHE 70 0.285 -1.027 11.624 1270 HD1 PHE 70 HD1 PHE 70 0.351 -1.616 9.096 1271 HD2 PHE 70 HD2 PHE 70 2.820 -3.521 12.048 1272 HE1 PHE 70 HE1 PHE 70 0.736 -3.520 7.554 1273 HE2 PHE 70 HE2 PHE 70 3.201 -5.423 10.506 1274 HZ PHE 70 HZ PHE 70 2.158 -5.422 8.257 1275 H GLN 71 HN GLN 71 0.303 1.623 11.673 1276 HA GLN 71 HA GLN 71 -0.765 1.885 9.001 1277 1HB GLN 71 HB2 GLN 71 -1.113 3.493 11.536 1278 2HB GLN 71 HB1 GLN 71 -1.928 3.929 10.039 1279 1HG GLN 71 HG2 GLN 71 -2.162 1.067 10.921 1280 2HG GLN 71 HG1 GLN 71 -3.042 2.264 11.865 1281 1HE2 GLN 71 HE22 GLN 71 -4.178 2.751 8.016 1282 2HE2 GLN 71 HE21 GLN 71 -2.614 3.153 8.538 1283 H GLU 72 HN GLU 72 1.488 3.853 10.945 1284 HA GLU 72 HA GLU 72 1.676 6.048 9.140 1285 1HB GLU 72 HB2 GLU 72 3.701 4.869 11.059 1286 2HB GLU 72 HB1 GLU 72 3.974 6.366 10.169 1287 1HG GLU 72 HG2 GLU 72 1.500 5.961 11.858 1288 2HG GLU 72 HG1 GLU 72 3.001 6.575 12.551 1289 H PHE 73 HN PHE 73 3.460 2.971 9.257 1290 HA PHE 73 HA PHE 73 5.275 3.549 7.138 1291 1HB PHE 73 HB2 PHE 73 5.457 1.567 8.638 1292 2HB PHE 73 HB1 PHE 73 4.047 0.866 7.844 1293 HD1 PHE 73 HD2 PHE 73 7.595 1.764 7.476 1294 HD2 PHE 73 HD1 PHE 73 4.164 0.059 5.533 1295 HE1 PHE 73 HE2 PHE 73 9.055 0.876 5.680 1296 HE2 PHE 73 HE1 PHE 73 5.624 -0.833 3.737 1297 HZ PHE 73 HZ PHE 73 8.070 -0.423 3.810 1298 H MET 74 HN MET 74 2.028 2.112 7.129 1299 HA MET 74 HA MET 74 1.864 1.653 4.312 1300 1HB MET 74 HB2 MET 74 0.298 0.772 6.129 1301 2HB MET 74 HB1 MET 74 -0.453 2.369 6.131 1302 1HG MET 74 HG2 MET 74 -1.762 1.076 4.624 1303 2HG MET 74 HG1 MET 74 -0.726 2.071 3.600 1304 1HE MET 74 HE3 MET 74 -0.795 0.929 1.607 1305 2HE MET 74 HE2 MET 74 -0.322 -0.726 1.239 1306 3HE MET 74 HE1 MET 74 -1.869 -0.414 2.021 1307 H ALA 75 HN ALA 75 1.041 4.457 6.329 1308 HA ALA 75 HA ALA 75 -0.177 6.037 4.297 1309 1HB ALA 75 HB3 ALA 75 -0.045 6.442 6.856 1310 2HB ALA 75 HB2 ALA 75 1.505 7.210 6.513 1311 3HB ALA 75 HB1 ALA 75 0.025 7.850 5.795 1312 H PHE 76 HN PHE 76 3.222 5.720 5.279 1313 HA PHE 76 HA PHE 76 4.274 7.786 3.638 1314 1HB PHE 76 HB2 PHE 76 5.539 6.583 5.425 1315 2HB PHE 76 HB1 PHE 76 5.610 5.166 4.377 1316 HD1 PHE 76 HD1 PHE 76 6.730 8.655 4.827 1317 HD2 PHE 76 HD2 PHE 76 7.061 5.103 2.435 1318 HE1 PHE 76 HE1 PHE 76 8.724 9.601 3.700 1319 HE2 PHE 76 HE2 PHE 76 9.061 6.049 1.309 1320 HZ PHE 76 HZ PHE 76 9.889 8.301 1.943 1321 H VAL 77 HN VAL 77 3.785 4.315 2.919 1322 HA VAL 77 HA VAL 77 4.840 4.419 0.260 1323 HB VAL 77 HB VAL 77 2.748 2.598 1.492 1324 1HG1 VAL 77 HG11 VAL 77 4.207 2.471 -1.161 1325 2HG1 VAL 77 HG13 VAL 77 3.415 1.074 -0.430 1326 3HG1 VAL 77 HG12 VAL 77 2.464 2.483 -0.896 1327 1HG2 VAL 77 HG23 VAL 77 5.737 2.363 1.037 1328 2HG2 VAL 77 HG22 VAL 77 4.896 2.389 2.586 1329 3HG2 VAL 77 HG21 VAL 77 4.712 1.008 1.507 1330 H SER 78 HN SER 78 1.573 4.951 1.544 1331 HA SER 78 HA SER 78 0.202 5.146 -0.929 1332 1HB SER 78 HB2 SER 78 -0.956 5.032 1.246 1333 2HB SER 78 HB1 SER 78 -0.356 6.639 1.648 1334 HG SER 78 HG SER 78 -1.984 5.974 -0.585 1335 H MET 79 HN MET 79 1.959 7.637 0.917 1336 HA MET 79 HA MET 79 1.172 9.854 -0.679 1337 1HB MET 79 HB2 MET 79 3.765 9.323 0.807 1338 2HB MET 79 HB1 MET 79 3.331 10.885 0.122 1339 1HG MET 79 HG2 MET 79 1.718 9.383 2.209 1340 2HG MET 79 HG1 MET 79 2.776 10.751 2.541 1341 1HE MET 79 HE3 MET 79 2.516 12.997 1.942 1342 2HE MET 79 HE2 MET 79 2.231 12.912 0.205 1343 3HE MET 79 HE1 MET 79 1.111 13.801 1.230 1344 H VAL 80 HN VAL 80 3.914 7.606 -1.053 1345 HA VAL 80 HA VAL 80 4.921 8.889 -3.441 1346 HB VAL 80 HB VAL 80 5.303 6.115 -2.281 1347 1HG1 VAL 80 HG12 VAL 80 6.526 7.407 -4.728 1348 2HG1 VAL 80 HG11 VAL 80 7.289 6.059 -3.886 1349 3HG1 VAL 80 HG13 VAL 80 5.701 5.852 -4.624 1350 1HG2 VAL 80 HG23 VAL 80 6.251 7.996 -0.993 1351 2HG2 VAL 80 HG22 VAL 80 7.527 7.005 -1.697 1352 3HG2 VAL 80 HG21 VAL 80 7.105 8.552 -2.431 1353 H THR 81 HN THR 81 2.811 6.093 -2.847 1354 HA THR 81 HA THR 81 2.485 5.264 -5.543 1355 HB THR 81 HB THR 81 0.527 5.081 -3.242 1356 HG1 THR 81 HG1 THR 81 1.650 3.398 -2.638 1357 1HG2 THR 81 HG21 THR 81 0.627 3.821 -5.974 1358 2HG2 THR 81 HG23 THR 81 -0.128 2.972 -4.626 1359 3HG2 THR 81 HG22 THR 81 -0.744 4.545 -5.132 1360 H THR 82 HN THR 82 0.588 7.627 -3.649 1361 HA THR 82 HA THR 82 -1.332 8.067 -5.758 1362 HB THR 82 HB THR 82 -1.921 10.105 -4.438 1363 HG1 THR 82 HG1 THR 82 -0.057 9.302 -2.520 1364 1HG2 THR 82 HG23 THR 82 -1.515 7.502 -2.948 1365 2HG2 THR 82 HG22 THR 82 -2.471 8.842 -2.318 1366 3HG2 THR 82 HG21 THR 82 -2.963 8.029 -3.803 1367 H ALA 83 HN ALA 83 1.821 9.382 -5.030 1368 HA ALA 83 HA ALA 83 1.602 11.698 -6.749 1369 1HB ALA 83 HB3 ALA 83 3.247 11.560 -4.918 1370 2HB ALA 83 HB2 ALA 83 4.061 10.236 -5.751 1371 3HB ALA 83 HB1 ALA 83 4.043 11.849 -6.466 1372 H CYS 84 HN CYS 84 2.224 8.329 -7.373 1373 HA CYS 84 HA CYS 84 3.784 8.668 -9.754 1374 1HB CYS 84 HB2 CYS 84 3.319 6.359 -10.236 1375 2HB CYS 84 HB1 CYS 84 3.507 6.502 -8.490 1376 HG CYS 84 HG CYS 84 0.589 6.721 -9.386 1377 H HIS 85 HN HIS 85 3.063 9.979 -11.341 1378 HA HIS 85 HA HIS 85 0.214 9.768 -12.242 1379 1HB HIS 85 HB2 HIS 85 2.344 11.893 -12.538 1380 2HB HIS 85 HB1 HIS 85 0.935 11.870 -13.597 1381 HD1 HIS 85 HD1 HIS 85 -1.425 12.174 -12.447 1382 HD2 HIS 85 HD2 HIS 85 1.836 12.807 -9.923 1383 HE1 HIS 85 HE1 HIS 85 -2.322 13.369 -10.400 1384 HE2 HIS 85 HE2 HIS 85 -0.347 13.758 -8.859 1385 H GLU 86 HN GLU 86 1.468 7.582 -13.007 1386 HA GLU 86 HA GLU 86 2.124 6.299 -14.846 1387 1HB GLU 86 HB2 GLU 86 1.142 8.705 -16.416 1388 2HB GLU 86 HB1 GLU 86 1.428 7.094 -17.062 1389 1HG GLU 86 HG2 GLU 86 -0.538 7.712 -14.841 1390 2HG GLU 86 HG1 GLU 86 -0.978 7.521 -16.538 1391 H PHE 87 HN PHE 87 3.912 8.488 -13.631 1392 HA PHE 87 HA PHE 87 5.704 9.116 -15.895 1393 1HB PHE 87 HB2 PHE 87 5.337 10.049 -13.117 1394 2HB PHE 87 HB1 PHE 87 7.034 9.856 -13.539 1395 HD1 PHE 87 HD1 PHE 87 3.856 11.514 -14.559 1396 HD2 PHE 87 HD2 PHE 87 8.124 11.375 -15.012 1397 HE1 PHE 87 HE1 PHE 87 3.794 13.649 -15.818 1398 HE2 PHE 87 HE2 PHE 87 8.061 13.509 -16.272 1399 HZ PHE 87 HZ PHE 87 5.898 14.646 -16.676 1400 H PHE 88 HN PHE 88 5.204 6.566 -13.737 1401 HA PHE 88 HA PHE 88 8.006 5.732 -13.531 1402 1HB PHE 88 HB2 PHE 88 5.359 4.513 -12.744 1403 2HB PHE 88 HB1 PHE 88 6.843 3.562 -12.682 1404 HD1 PHE 88 HD2 PHE 88 5.411 6.842 -11.556 1405 HD2 PHE 88 HD1 PHE 88 8.244 3.701 -10.795 1406 HE1 PHE 88 HE2 PHE 88 6.002 7.895 -9.390 1407 HE2 PHE 88 HE1 PHE 88 8.830 4.759 -8.631 1408 HZ PHE 88 HZ PHE 88 7.710 6.854 -7.930 1409 H GLU 89 HN GLU 89 5.640 5.608 -15.935 1410 HA GLU 89 HA GLU 89 6.085 3.052 -17.113 1411 1HB GLU 89 HB2 GLU 89 5.364 5.728 -18.341 1412 2HB GLU 89 HB1 GLU 89 5.405 4.224 -19.263 1413 1HG GLU 89 HG2 GLU 89 3.752 3.234 -17.720 1414 2HG GLU 89 HG1 GLU 89 3.707 4.740 -16.804 1415 H HIS 90 HN HIS 90 7.135 3.269 -19.599 1416 HA HIS 90 HA HIS 90 9.945 3.301 -19.141 1417 1HB HIS 90 HB2 HIS 90 8.568 3.732 -21.810 1418 2HB HIS 90 HB1 HIS 90 10.191 3.099 -21.543 1419 HD1 HIS 90 HD1 HIS 90 6.653 2.073 -21.743 1420 HD2 HIS 90 HD2 HIS 90 10.203 0.454 -20.266 1421 HE1 HIS 90 HE1 HIS 90 6.224 -0.401 -21.390 1422 HE2 HIS 90 HE2 HIS 90 8.378 -1.394 -20.493 1423 H GLU 91 HN GLU 91 11.482 4.909 -19.394 1424 HA GLU 91 HA GLU 91 10.678 7.544 -20.484 1425 1HB GLU 91 HB2 GLU 91 11.420 8.727 -18.466 1426 2HB GLU 91 HB1 GLU 91 10.112 7.614 -18.071 1427 1HG GLU 91 HG2 GLU 91 11.666 7.183 -16.366 1428 2HG GLU 91 HG1 GLU 91 12.029 5.917 -17.537 No H/Q in entry = 1428 Start of MODEL 14 1 1H MET 0 HT2 MET 0 16.104 -5.054 -4.761 2 2H MET 0 HT1 MET 0 17.742 -5.305 -4.384 3 3H MET 0 HT3 MET 0 17.173 -5.629 -5.948 4 HA MET 0 HA MET 0 16.240 -7.599 -5.386 5 1HB MET 0 HB2 MET 0 18.300 -7.174 -3.197 6 2HB MET 0 HB1 MET 0 17.673 -8.740 -3.713 7 1HG MET 0 HG2 MET 0 19.711 -8.490 -4.904 8 2HG MET 0 HG1 MET 0 18.458 -8.085 -6.076 9 1HE MET 0 HE2 MET 0 20.627 -6.917 -3.317 10 2HE MET 0 HE1 MET 0 21.841 -6.773 -4.585 11 3HE MET 0 HE3 MET 0 21.243 -5.327 -3.760 12 H SER 1 HN SER 1 14.767 -5.364 -4.108 13 HA SER 1 HA SER 1 13.815 -6.726 -1.603 14 1HB SER 1 HB2 SER 1 12.881 -4.438 -1.060 15 2HB SER 1 HB1 SER 1 14.639 -4.528 -1.090 16 HG SER 1 HG SER 1 13.785 -4.023 -3.551 17 H GLU 2 HN GLU 2 11.800 -7.536 -1.663 18 HA GLU 2 HA GLU 2 10.201 -7.535 -4.033 19 1HB GLU 2 HB2 GLU 2 9.544 -8.214 -1.155 20 2HB GLU 2 HB1 GLU 2 8.420 -8.469 -2.491 21 1HG GLU 2 HG2 GLU 2 11.224 -9.612 -2.425 22 2HG GLU 2 HG1 GLU 2 9.798 -10.500 -1.891 23 H LEU 3 HN LEU 3 10.038 -5.611 -1.058 24 HA LEU 3 HA LEU 3 7.564 -4.333 -1.575 25 1HB LEU 3 HB2 LEU 3 9.384 -4.252 0.463 26 2HB LEU 3 HB1 LEU 3 9.670 -2.675 -0.260 27 HG LEU 3 HG LEU 3 7.023 -3.759 0.756 28 1HD1 LEU 3 HD11 LEU 3 8.776 -2.905 2.392 29 2HD1 LEU 3 HD13 LEU 3 8.579 -1.322 1.643 30 3HD1 LEU 3 HD12 LEU 3 7.214 -2.088 2.455 31 1HD2 LEU 3 HD21 LEU 3 7.702 -1.320 -0.891 32 2HD2 LEU 3 HD23 LEU 3 6.355 -2.439 -1.078 33 3HD2 LEU 3 HD22 LEU 3 6.349 -1.271 0.237 34 H GLU 4 HN GLU 4 10.863 -3.472 -2.633 35 HA GLU 4 HA GLU 4 10.210 -0.956 -3.797 36 1HB GLU 4 HB2 GLU 4 12.535 -1.737 -3.491 37 2HB GLU 4 HB1 GLU 4 12.279 -2.987 -4.705 38 1HG GLU 4 HG2 GLU 4 13.432 -1.051 -5.688 39 2HG GLU 4 HG1 GLU 4 11.834 -1.236 -6.402 40 H LYS 5 HN LYS 5 10.174 -4.236 -5.202 41 HA LYS 5 HA LYS 5 9.263 -3.375 -7.796 42 1HB LYS 5 HB2 LYS 5 9.095 -6.043 -6.371 43 2HB LYS 5 HB1 LYS 5 8.565 -5.803 -8.036 44 1HG LYS 5 HG2 LYS 5 10.840 -4.964 -8.604 45 2HG LYS 5 HG1 LYS 5 11.358 -5.313 -6.958 46 1HD LYS 5 HD2 LYS 5 10.186 -7.396 -8.827 47 2HD LYS 5 HD1 LYS 5 11.917 -7.120 -8.640 48 1HE LYS 5 HE2 LYS 5 11.568 -8.845 -7.109 49 2HE LYS 5 HE1 LYS 5 11.387 -7.439 -6.064 50 1HZ LYS 5 HZ2 LYS 5 8.901 -7.729 -7.014 51 2HZ LYS 5 HZ1 LYS 5 9.409 -9.350 -6.956 52 3HZ LYS 5 HZ3 LYS 5 9.446 -8.400 -5.551 53 H ALA 6 HN ALA 6 7.636 -4.257 -4.794 54 HA ALA 6 HA ALA 6 4.993 -4.523 -5.801 55 1HB ALA 6 HB3 ALA 6 6.011 -3.526 -3.127 56 2HB ALA 6 HB2 ALA 6 4.316 -3.840 -3.463 57 3HB ALA 6 HB1 ALA 6 5.484 -5.161 -3.516 58 H MET 7 HN MET 7 6.816 -1.633 -4.778 59 HA MET 7 HA MET 7 4.666 0.231 -4.989 60 1HB MET 7 HB2 MET 7 6.884 0.761 -3.983 61 2HB MET 7 HB1 MET 7 7.609 0.691 -5.588 62 1HG MET 7 HG2 MET 7 7.151 3.014 -5.040 63 2HG MET 7 HG1 MET 7 6.047 2.515 -6.317 64 1HE MET 7 HE1 MET 7 6.296 4.684 -3.688 65 2HE MET 7 HE3 MET 7 5.127 5.080 -4.955 66 3HE MET 7 HE2 MET 7 4.612 4.986 -3.274 67 H VAL 8 HN VAL 8 7.078 -0.826 -7.399 68 HA VAL 8 HA VAL 8 5.954 0.733 -9.558 69 HB VAL 8 HB VAL 8 7.772 -1.695 -9.514 70 1HG1 VAL 8 HG13 VAL 8 6.723 -0.037 -11.812 71 2HG1 VAL 8 HG12 VAL 8 8.257 -0.899 -11.926 72 3HG1 VAL 8 HG11 VAL 8 6.762 -1.794 -11.656 73 1HG2 VAL 8 HG23 VAL 8 8.229 1.273 -9.935 74 2HG2 VAL 8 HG22 VAL 8 8.790 0.297 -8.578 75 3HG2 VAL 8 HG21 VAL 8 9.463 0.039 -10.187 76 H ALA 9 HN ALA 9 5.564 -2.604 -8.443 77 HA ALA 9 HA ALA 9 3.941 -3.545 -10.578 78 1HB ALA 9 HB2 ALA 9 5.016 -4.890 -8.672 79 2HB ALA 9 HB1 ALA 9 3.626 -4.410 -7.697 80 3HB ALA 9 HB3 ALA 9 3.392 -5.372 -9.157 81 H LEU 10 HN LEU 10 3.068 -1.866 -7.566 82 HA LEU 10 HA LEU 10 0.260 -2.170 -7.788 83 1HB LEU 10 HB2 LEU 10 1.446 -1.297 -5.776 84 2HB LEU 10 HB1 LEU 10 1.800 0.187 -6.652 85 HG LEU 10 HG LEU 10 -0.746 0.431 -6.969 86 1HD1 LEU 10 HD12 LEU 10 -0.641 -1.767 -4.885 87 2HD1 LEU 10 HD11 LEU 10 -2.037 -0.714 -5.097 88 3HD1 LEU 10 HD13 LEU 10 -1.527 -1.770 -6.410 89 1HD2 LEU 10 HD22 LEU 10 0.577 0.578 -4.248 90 2HD2 LEU 10 HD21 LEU 10 0.402 1.876 -5.432 91 3HD2 LEU 10 HD23 LEU 10 -1.016 1.258 -4.584 92 H ILE 11 HN ILE 11 2.314 0.540 -8.967 93 HA ILE 11 HA ILE 11 0.092 1.887 -10.227 94 HB ILE 11 HB ILE 11 3.085 2.117 -10.637 95 1HG1 ILE 11 HG12 ILE 11 1.146 4.016 -9.289 96 2HG1 ILE 11 HG11 ILE 11 2.027 2.768 -8.406 97 1HG2 ILE 11 HG23 ILE 11 0.770 3.647 -11.838 98 2HG2 ILE 11 HG22 ILE 11 2.364 4.382 -11.661 99 3HG2 ILE 11 HG21 ILE 11 2.164 2.944 -12.660 100 1HD1 ILE 11 HD11 ILE 11 3.417 4.802 -10.165 101 2HD1 ILE 11 HD13 ILE 11 3.117 5.080 -8.449 102 3HD1 ILE 11 HD12 ILE 11 4.143 3.739 -8.959 103 H ASP 12 HN ASP 12 2.667 -0.232 -11.542 104 HA ASP 12 HA ASP 12 1.848 -0.066 -14.263 105 1HB ASP 12 HB2 ASP 12 3.999 -1.067 -13.490 106 2HB ASP 12 HB1 ASP 12 3.096 -2.446 -12.863 107 H VAL 13 HN VAL 13 0.982 -2.449 -11.763 108 HA VAL 13 HA VAL 13 -0.768 -4.017 -13.365 109 HB VAL 13 HB VAL 13 -0.683 -3.511 -10.381 110 1HG1 VAL 13 HG11 VAL 13 -2.427 -5.361 -12.021 111 2HG1 VAL 13 HG13 VAL 13 -2.075 -5.666 -10.320 112 3HG1 VAL 13 HG12 VAL 13 -2.934 -4.200 -10.794 113 1HG2 VAL 13 HG23 VAL 13 1.247 -4.689 -11.432 114 2HG2 VAL 13 HG22 VAL 13 0.336 -5.749 -10.356 115 3HG2 VAL 13 HG21 VAL 13 0.131 -5.875 -12.103 116 H PHE 14 HN PHE 14 -1.373 -1.099 -11.440 117 HA PHE 14 HA PHE 14 -4.206 -1.094 -11.601 118 1HB PHE 14 HB2 PHE 14 -3.033 0.428 -10.123 119 2HB PHE 14 HB1 PHE 14 -2.221 1.195 -11.484 120 HD1 PHE 14 HD2 PHE 14 -3.546 2.526 -13.143 121 HD2 PHE 14 HD1 PHE 14 -5.273 1.037 -9.499 122 HE1 PHE 14 HE2 PHE 14 -5.435 4.113 -13.389 123 HE2 PHE 14 HE1 PHE 14 -7.161 2.628 -9.747 124 HZ PHE 14 HZ PHE 14 -7.241 4.163 -11.691 125 H HIS 15 HN HIS 15 -1.849 0.509 -13.804 126 HA HIS 15 HA HIS 15 -3.979 1.347 -15.593 127 1HB HIS 15 HB2 HIS 15 -0.972 1.402 -15.694 128 2HB HIS 15 HB1 HIS 15 -1.893 1.735 -17.160 129 HD1 HIS 15 HD1 HIS 15 -3.589 3.779 -17.051 130 HD2 HIS 15 HD2 HIS 15 -0.960 3.508 -13.824 131 HE1 HIS 15 HE1 HIS 15 -3.656 6.026 -15.883 132 HE2 HIS 15 HE2 HIS 15 -2.058 5.874 -13.919 133 H GLN 16 HN GLN 16 -1.603 -1.325 -15.681 134 HA GLN 16 HA GLN 16 -2.244 -2.229 -18.293 135 1HB GLN 16 HB2 GLN 16 -0.301 -3.048 -17.012 136 2HB GLN 16 HB1 GLN 16 -1.387 -3.888 -15.905 137 1HG GLN 16 HG2 GLN 16 -2.213 -5.301 -17.697 138 2HG GLN 16 HG1 GLN 16 -1.297 -4.386 -18.894 139 1HE2 GLN 16 HE22 GLN 16 1.675 -5.787 -16.747 140 2HE2 GLN 16 HE21 GLN 16 0.858 -4.321 -16.500 141 H TYR 17 HN TYR 17 -3.610 -3.347 -15.164 142 HA TYR 17 HA TYR 17 -5.531 -5.090 -16.456 143 1HB TYR 17 HB2 TYR 17 -5.150 -4.037 -13.657 144 2HB TYR 17 HB1 TYR 17 -6.647 -4.871 -14.071 145 HD1 TYR 17 HD2 TYR 17 -2.960 -5.302 -14.694 146 HD2 TYR 17 HD1 TYR 17 -6.683 -7.167 -13.626 147 HE1 TYR 17 HE2 TYR 17 -1.806 -7.482 -14.464 148 HE2 TYR 17 HE1 TYR 17 -5.525 -9.346 -13.396 149 HH TYR 17 HH TYR 17 -2.142 -9.731 -14.309 150 H SER 18 HN SER 18 -5.711 -1.813 -15.100 151 HA SER 18 HA SER 18 -8.529 -1.480 -15.602 152 1HB SER 18 HB2 SER 18 -7.165 -0.130 -13.981 153 2HB SER 18 HB1 SER 18 -6.416 0.676 -15.357 154 HG SER 18 HG SER 18 -8.175 1.800 -15.624 155 H GLY 19 HN GLY 19 -5.621 -0.631 -17.458 156 1HA GLY 19 HA2 GLY 19 -7.049 0.796 -19.514 157 2HA GLY 19 HA1 GLY 19 -5.398 0.197 -19.639 158 H ARG 20 HN ARG 20 -6.922 -2.549 -18.847 159 HA ARG 20 HA ARG 20 -6.813 -3.625 -21.483 160 1HB ARG 20 HB2 ARG 20 -6.846 -4.902 -19.237 161 2HB ARG 20 HB1 ARG 20 -8.603 -4.763 -19.328 162 1HG ARG 20 HG2 ARG 20 -8.393 -5.732 -21.705 163 2HG ARG 20 HG1 ARG 20 -6.740 -6.156 -21.265 164 1HD ARG 20 HD2 ARG 20 -7.792 -8.114 -20.622 165 2HD ARG 20 HD1 ARG 20 -8.009 -7.206 -19.126 166 HE ARG 20 HE ARG 20 -10.235 -6.542 -20.650 167 1HH1 ARG 20 HH21 ARG 20 -8.694 -9.413 -19.532 168 2HH1 ARG 20 HH22 ARG 20 -10.154 -10.343 -19.490 169 1HH2 ARG 20 HH11 ARG 20 -12.156 -7.742 -20.611 170 2HH2 ARG 20 HH12 ARG 20 -12.115 -9.398 -20.103 171 H GLU 21 HN GLU 21 -9.544 -2.322 -19.615 172 HA GLU 21 HA GLU 21 -11.130 -2.216 -22.159 173 1HB GLU 21 HB2 GLU 21 -12.063 -3.082 -19.410 174 2HB GLU 21 HB1 GLU 21 -13.157 -2.692 -20.739 175 1HG GLU 21 HG2 GLU 21 -12.098 -4.435 -22.126 176 2HG GLU 21 HG1 GLU 21 -11.010 -4.834 -20.796 177 H GLY 22 HN GLY 22 -10.400 0.041 -22.216 178 1HA GLY 22 HA2 GLY 22 -10.559 2.329 -21.666 179 2HA GLY 22 HA1 GLY 22 -12.256 1.926 -21.408 180 H ASP 23 HN ASP 23 -12.089 3.647 -19.714 181 HA ASP 23 HA ASP 23 -11.826 4.334 -17.476 182 1HB ASP 23 HB2 ASP 23 -12.018 1.323 -17.111 183 2HB ASP 23 HB1 ASP 23 -12.217 2.512 -15.823 184 H LYS 24 HN LYS 24 -9.418 4.043 -18.948 185 HA LYS 24 HA LYS 24 -7.423 2.486 -17.657 186 1HB LYS 24 HB2 LYS 24 -5.834 3.848 -18.861 187 2HB LYS 24 HB1 LYS 24 -7.235 3.590 -19.901 188 1HG LYS 24 HG2 LYS 24 -8.113 5.831 -18.904 189 2HG LYS 24 HG1 LYS 24 -6.443 6.082 -18.396 190 1HD LYS 24 HD2 LYS 24 -7.455 5.681 -21.223 191 2HD LYS 24 HD1 LYS 24 -6.713 7.133 -20.554 192 1HE LYS 24 HE2 LYS 24 -4.659 5.643 -20.080 193 2HE LYS 24 HE1 LYS 24 -5.411 4.480 -21.174 194 1HZ LYS 24 HZ2 LYS 24 -5.619 6.773 -22.556 195 2HZ LYS 24 HZ1 LYS 24 -4.136 7.000 -21.758 196 3HZ LYS 24 HZ3 LYS 24 -4.364 5.644 -22.750 197 H HIS 25 HN HIS 25 -8.660 5.719 -16.896 198 HA HIS 25 HA HIS 25 -6.624 6.003 -14.737 199 1HB HIS 25 HB2 HIS 25 -7.004 7.927 -16.238 200 2HB HIS 25 HB1 HIS 25 -8.701 7.956 -15.765 201 HD1 HIS 25 HD1 HIS 25 -9.245 9.405 -13.808 202 HD2 HIS 25 HD2 HIS 25 -5.225 8.292 -13.832 203 HE1 HIS 25 HE1 HIS 25 -8.151 10.625 -11.875 204 HE2 HIS 25 HE2 HIS 25 -5.704 9.957 -11.883 205 H LYS 26 HN LYS 26 -9.543 4.513 -14.960 206 HA LYS 26 HA LYS 26 -10.161 5.084 -12.087 207 1HB LYS 26 HB2 LYS 26 -12.128 5.140 -14.387 208 2HB LYS 26 HB1 LYS 26 -12.601 5.117 -12.688 209 1HG LYS 26 HG2 LYS 26 -11.333 7.216 -12.322 210 2HG LYS 26 HG1 LYS 26 -10.886 7.230 -14.028 211 1HD LYS 26 HD2 LYS 26 -13.269 7.344 -14.662 212 2HD LYS 26 HD1 LYS 26 -13.721 7.334 -12.957 213 1HE LYS 26 HE2 LYS 26 -12.791 9.466 -12.569 214 2HE LYS 26 HE1 LYS 26 -11.825 9.415 -14.044 215 1HZ LYS 26 HZ3 LYS 26 -14.151 9.237 -15.159 216 2HZ LYS 26 HZ2 LYS 26 -14.691 9.948 -13.713 217 3HZ LYS 26 HZ1 LYS 26 -13.547 10.748 -14.681 218 H LEU 27 HN LEU 27 -11.416 3.384 -11.059 219 HA LEU 27 HA LEU 27 -11.278 0.740 -12.484 220 1HB LEU 27 HB2 LEU 27 -10.991 1.420 -9.542 221 2HB LEU 27 HB1 LEU 27 -11.169 -0.224 -10.146 222 HG LEU 27 HG LEU 27 -8.974 1.663 -11.052 223 1HD1 LEU 27 HD11 LEU 27 -8.942 -0.493 -8.918 224 2HD1 LEU 27 HD13 LEU 27 -7.508 0.320 -9.543 225 3HD1 LEU 27 HD12 LEU 27 -8.728 1.238 -8.660 226 1HD2 LEU 27 HD23 LEU 27 -9.624 -1.254 -11.512 227 2HD2 LEU 27 HD22 LEU 27 -9.131 -0.032 -12.682 228 3HD2 LEU 27 HD21 LEU 27 -7.949 -0.710 -11.573 229 H LYS 28 HN LYS 28 -13.303 0.124 -13.061 230 HA LYS 28 HA LYS 28 -15.630 1.089 -11.471 231 1HB LYS 28 HB2 LYS 28 -15.495 1.210 -14.041 232 2HB LYS 28 HB1 LYS 28 -15.711 -0.540 -14.024 233 1HG LYS 28 HG2 LYS 28 -17.821 -0.287 -12.811 234 2HG LYS 28 HG1 LYS 28 -17.607 1.456 -12.747 235 1HD LYS 28 HD2 LYS 28 -17.644 1.512 -15.231 236 2HD LYS 28 HD1 LYS 28 -17.929 -0.230 -15.246 237 1HE LYS 28 HE2 LYS 28 -20.063 0.948 -15.466 238 2HE LYS 28 HE1 LYS 28 -19.999 0.119 -13.911 239 1HZ LYS 28 HZ1 LYS 28 -18.926 2.782 -13.830 240 2HZ LYS 28 HZ3 LYS 28 -20.563 2.743 -14.274 241 3HZ LYS 28 HZ2 LYS 28 -20.064 2.039 -12.809 242 H LYS 29 HN LYS 29 -17.408 -0.653 -11.125 243 HA LYS 29 HA LYS 29 -16.404 -2.692 -9.456 244 1HB LYS 29 HB2 LYS 29 -18.667 -3.619 -9.443 245 2HB LYS 29 HB1 LYS 29 -18.745 -1.862 -9.383 246 1HG LYS 29 HG2 LYS 29 -19.202 -1.798 -11.814 247 2HG LYS 29 HG1 LYS 29 -19.104 -3.549 -11.884 248 1HD LYS 29 HD2 LYS 29 -21.422 -3.063 -11.768 249 2HD LYS 29 HD1 LYS 29 -20.970 -3.601 -10.157 250 1HE LYS 29 HE2 LYS 29 -22.453 -1.535 -10.250 251 2HE LYS 29 HE1 LYS 29 -20.980 -1.353 -9.307 252 1HZ LYS 29 HZ2 LYS 29 -20.995 -0.646 -12.164 253 2HZ LYS 29 HZ1 LYS 29 -21.633 0.441 -11.024 254 3HZ LYS 29 HZ3 LYS 29 -20.011 -0.046 -10.915 255 H SER 30 HN SER 30 -17.262 -2.847 -12.911 256 HA SER 30 HA SER 30 -17.011 -5.671 -13.198 257 1HB SER 30 HB2 SER 30 -17.940 -4.180 -14.950 258 2HB SER 30 HB1 SER 30 -16.330 -3.519 -15.223 259 HG SER 30 HG SER 30 -16.409 -6.252 -15.249 260 H GLU 31 HN GLU 31 -14.566 -3.091 -13.565 261 HA GLU 31 HA GLU 31 -12.419 -4.909 -14.197 262 1HB GLU 31 HB2 GLU 31 -12.412 -2.076 -13.115 263 2HB GLU 31 HB1 GLU 31 -10.957 -2.934 -13.612 264 1HG GLU 31 HG2 GLU 31 -13.294 -2.698 -15.507 265 2HG GLU 31 HG1 GLU 31 -12.156 -1.363 -15.335 266 H LEU 32 HN LEU 32 -13.545 -3.438 -11.160 267 HA LEU 32 HA LEU 32 -11.408 -4.371 -9.520 268 1HB LEU 32 HB2 LEU 32 -13.090 -2.662 -8.832 269 2HB LEU 32 HB1 LEU 32 -14.301 -3.932 -8.715 270 HG LEU 32 HG LEU 32 -11.752 -4.414 -7.207 271 1HD1 LEU 32 HD13 LEU 32 -13.778 -2.325 -6.354 272 2HD1 LEU 32 HD12 LEU 32 -12.552 -3.019 -5.294 273 3HD1 LEU 32 HD11 LEU 32 -12.066 -2.061 -6.691 274 1HD2 LEU 32 HD21 LEU 32 -14.710 -4.778 -6.601 275 2HD2 LEU 32 HD23 LEU 32 -13.547 -6.039 -7.010 276 3HD2 LEU 32 HD22 LEU 32 -13.417 -5.185 -5.477 277 H LYS 33 HN LYS 33 -14.470 -5.893 -10.462 278 HA LYS 33 HA LYS 33 -14.321 -8.166 -8.767 279 1HB LYS 33 HB2 LYS 33 -16.321 -7.538 -10.108 280 2HB LYS 33 HB1 LYS 33 -15.466 -8.029 -11.571 281 1HG LYS 33 HG2 LYS 33 -15.240 -10.320 -10.675 282 2HG LYS 33 HG1 LYS 33 -16.092 -9.830 -9.212 283 1HD LYS 33 HD2 LYS 33 -18.079 -9.262 -10.562 284 2HD LYS 33 HD1 LYS 33 -17.223 -9.757 -12.024 285 1HE LYS 33 HE2 LYS 33 -17.592 -11.618 -9.672 286 2HE LYS 33 HE1 LYS 33 -18.772 -11.509 -10.980 287 1HZ LYS 33 HZ1 LYS 33 -16.494 -11.736 -12.351 288 2HZ LYS 33 HZ3 LYS 33 -16.109 -12.652 -10.976 289 3HZ LYS 33 HZ2 LYS 33 -17.467 -13.058 -11.913 290 H GLU 34 HN GLU 34 -12.915 -7.618 -12.001 291 HA GLU 34 HA GLU 34 -12.018 -10.278 -12.442 292 1HB GLU 34 HB2 GLU 34 -11.983 -8.209 -14.034 293 2HB GLU 34 HB1 GLU 34 -10.414 -7.866 -13.309 294 1HG GLU 34 HG2 GLU 34 -11.172 -10.499 -14.613 295 2HG GLU 34 HG1 GLU 34 -10.225 -9.229 -15.389 296 H LEU 35 HN LEU 35 -10.493 -7.580 -10.714 297 HA LEU 35 HA LEU 35 -7.983 -8.822 -10.208 298 1HB LEU 35 HB2 LEU 35 -9.551 -6.795 -8.599 299 2HB LEU 35 HB1 LEU 35 -7.902 -7.272 -8.209 300 HG LEU 35 HG LEU 35 -8.737 -6.159 -10.905 301 1HD1 LEU 35 HD12 LEU 35 -7.532 -4.775 -8.490 302 2HD1 LEU 35 HD11 LEU 35 -7.621 -4.059 -10.099 303 3HD1 LEU 35 HD13 LEU 35 -9.100 -4.447 -9.222 304 1HD2 LEU 35 HD21 LEU 35 -6.114 -6.950 -9.637 305 2HD2 LEU 35 HD23 LEU 35 -6.696 -7.254 -11.274 306 3HD2 LEU 35 HD22 LEU 35 -6.137 -5.648 -10.825 307 H ILE 36 HN ILE 36 -11.059 -9.021 -8.466 308 HA ILE 36 HA ILE 36 -10.139 -10.350 -6.138 309 HB ILE 36 HB ILE 36 -12.784 -10.651 -7.589 310 1HG1 ILE 36 HG12 ILE 36 -12.320 -8.314 -7.052 311 2HG1 ILE 36 HG11 ILE 36 -13.573 -8.925 -5.977 312 1HG2 ILE 36 HG23 ILE 36 -11.859 -11.455 -4.837 313 2HG2 ILE 36 HG22 ILE 36 -13.561 -11.136 -5.172 314 3HG2 ILE 36 HG21 ILE 36 -12.716 -12.418 -6.040 315 1HD1 ILE 36 HD12 ILE 36 -11.528 -9.454 -4.382 316 2HD1 ILE 36 HD11 ILE 36 -10.719 -8.230 -5.358 317 3HD1 ILE 36 HD13 ILE 36 -12.185 -7.823 -4.470 318 H ASN 37 HN ASN 37 -11.438 -11.854 -9.154 319 HA ASN 37 HA ASN 37 -11.030 -14.529 -8.230 320 1HB ASN 37 HB2 ASN 37 -11.301 -13.293 -10.966 321 2HB ASN 37 HB1 ASN 37 -10.891 -15.003 -10.811 322 1HD2 ASN 37 HD22 ASN 37 -14.701 -14.217 -10.671 323 2HD2 ASN 37 HD21 ASN 37 -13.513 -13.419 -11.582 324 H ASN 38 HN ASN 38 -8.859 -12.316 -9.977 325 HA ASN 38 HA ASN 38 -6.753 -14.340 -10.145 326 1HB ASN 38 HB2 ASN 38 -6.906 -12.585 -11.850 327 2HB ASN 38 HB1 ASN 38 -6.662 -11.347 -10.616 328 1HD2 ASN 38 HD22 ASN 38 -3.469 -13.659 -11.779 329 2HD2 ASN 38 HD21 ASN 38 -5.047 -14.202 -12.092 330 H GLU 39 HN GLU 39 -7.382 -11.465 -8.137 331 HA GLU 39 HA GLU 39 -5.192 -12.369 -6.284 332 1HB GLU 39 HB2 GLU 39 -4.727 -10.231 -7.512 333 2HB GLU 39 HB1 GLU 39 -6.155 -9.533 -6.752 334 1HG GLU 39 HG2 GLU 39 -5.188 -9.908 -4.533 335 2HG GLU 39 HG1 GLU 39 -3.781 -10.684 -5.257 336 H LEU 40 HN LEU 40 -5.561 -11.939 -4.023 337 HA LEU 40 HA LEU 40 -6.829 -12.027 -2.075 338 1HB LEU 40 HB2 LEU 40 -8.344 -10.078 -3.795 339 2HB LEU 40 HB1 LEU 40 -8.994 -10.545 -2.228 340 HG LEU 40 HG LEU 40 -6.105 -9.698 -2.397 341 1HD1 LEU 40 HD11 LEU 40 -8.509 -7.875 -2.564 342 2HD1 LEU 40 HD13 LEU 40 -6.978 -7.327 -1.877 343 3HD1 LEU 40 HD12 LEU 40 -7.051 -7.861 -3.557 344 1HD2 LEU 40 HD22 LEU 40 -7.425 -10.604 -0.315 345 2HD2 LEU 40 HD21 LEU 40 -6.380 -9.199 -0.117 346 3HD2 LEU 40 HD23 LEU 40 -8.124 -8.986 -0.269 347 H SER 41 HN SER 41 -7.396 -13.927 -4.420 348 HA SER 41 HA SER 41 -10.205 -14.571 -4.229 349 1HB SER 41 HB2 SER 41 -7.872 -16.300 -5.098 350 2HB SER 41 HB1 SER 41 -9.575 -16.677 -5.351 351 HG SER 41 HG SER 41 -7.925 -14.924 -6.669 352 H HIS 42 HN HIS 42 -7.283 -15.815 -2.611 353 HA HIS 42 HA HIS 42 -8.980 -17.607 -0.953 354 1HB HIS 42 HB2 HIS 42 -6.690 -18.207 -2.106 355 2HB HIS 42 HB1 HIS 42 -5.982 -17.403 -0.708 356 HD1 HIS 42 HD1 HIS 42 -8.409 -20.221 -1.525 357 HD2 HIS 42 HD2 HIS 42 -5.923 -18.984 1.589 358 HE1 HIS 42 HE1 HIS 42 -8.457 -22.069 0.209 359 HE2 HIS 42 HE2 HIS 42 -6.954 -21.322 2.111 360 H PHE 43 HN PHE 43 -6.646 -14.923 -0.521 361 HA PHE 43 HA PHE 43 -6.750 -14.885 2.321 362 1HB PHE 43 HB2 PHE 43 -5.747 -13.160 0.187 363 2HB PHE 43 HB1 PHE 43 -6.404 -12.188 1.497 364 HD1 PHE 43 HD1 PHE 43 -4.243 -15.233 1.002 365 HD2 PHE 43 HD2 PHE 43 -4.977 -11.660 3.270 366 HE1 PHE 43 HE1 PHE 43 -2.204 -15.664 2.343 367 HE2 PHE 43 HE2 PHE 43 -2.935 -12.090 4.607 368 HZ PHE 43 HZ PHE 43 -1.548 -14.093 4.145 369 H LEU 44 HN LEU 44 -8.819 -13.216 -0.062 370 HA LEU 44 HA LEU 44 -10.495 -12.169 2.161 371 1HB LEU 44 HB2 LEU 44 -9.886 -10.666 0.265 372 2HB LEU 44 HB1 LEU 44 -10.739 -11.744 -0.833 373 HG LEU 44 HG LEU 44 -12.834 -11.365 0.502 374 1HD1 LEU 44 HD13 LEU 44 -10.955 -9.560 2.019 375 2HD1 LEU 44 HD12 LEU 44 -12.664 -9.142 1.902 376 3HD1 LEU 44 HD11 LEU 44 -12.181 -10.665 2.641 377 1HD2 LEU 44 HD23 LEU 44 -11.476 -8.895 -0.625 378 2HD2 LEU 44 HD22 LEU 44 -12.373 -10.095 -1.557 379 3HD2 LEU 44 HD21 LEU 44 -13.213 -9.082 -0.383 380 H GLU 45 HN GLU 45 -12.746 -12.714 2.309 381 HA GLU 45 HA GLU 45 -13.400 -15.422 1.913 382 1HB GLU 45 HB2 GLU 45 -14.624 -13.696 3.361 383 2HB GLU 45 HB1 GLU 45 -15.438 -13.177 1.886 384 1HG GLU 45 HG2 GLU 45 -15.441 -16.078 2.746 385 2HG GLU 45 HG1 GLU 45 -16.639 -14.937 3.346 386 H GLU 46 HN GLU 46 -14.279 -16.564 0.199 387 HA GLU 46 HA GLU 46 -13.989 -15.534 -2.452 388 1HB GLU 46 HB2 GLU 46 -15.522 -17.932 -1.405 389 2HB GLU 46 HB1 GLU 46 -15.262 -17.602 -3.118 390 1HG GLU 46 HG2 GLU 46 -12.823 -17.653 -2.765 391 2HG GLU 46 HG1 GLU 46 -13.077 -17.984 -1.051 392 H ILE 47 HN ILE 47 -15.396 -14.451 -3.756 393 HA ILE 47 HA ILE 47 -18.157 -13.918 -2.707 394 HB ILE 47 HB ILE 47 -16.486 -12.350 -4.696 395 1HG1 ILE 47 HG12 ILE 47 -17.317 -11.621 -1.872 396 2HG1 ILE 47 HG11 ILE 47 -15.747 -12.313 -2.273 397 1HG2 ILE 47 HG22 ILE 47 -19.287 -12.033 -3.614 398 2HG2 ILE 47 HG21 ILE 47 -18.370 -10.629 -4.160 399 3HG2 ILE 47 HG23 ILE 47 -18.731 -11.937 -5.285 400 1HD1 ILE 47 HD11 ILE 47 -16.769 -9.830 -3.653 401 2HD1 ILE 47 HD13 ILE 47 -15.893 -9.742 -2.126 402 3HD1 ILE 47 HD12 ILE 47 -15.112 -10.421 -3.553 403 H LYS 48 HN LYS 48 -19.782 -14.862 -3.789 404 HA LYS 48 HA LYS 48 -19.268 -15.954 -6.533 405 1HB LYS 48 HB2 LYS 48 -19.970 -17.510 -4.659 406 2HB LYS 48 HB1 LYS 48 -21.514 -16.658 -4.626 407 1HG LYS 48 HG2 LYS 48 -21.683 -17.157 -7.131 408 2HG LYS 48 HG1 LYS 48 -20.329 -18.263 -6.899 409 1HD LYS 48 HD2 LYS 48 -22.988 -18.387 -5.447 410 2HD LYS 48 HD1 LYS 48 -22.457 -19.480 -6.724 411 1HE LYS 48 HE2 LYS 48 -20.415 -19.949 -5.192 412 2HE LYS 48 HE1 LYS 48 -21.384 -19.211 -3.917 413 1HZ LYS 48 HZ3 LYS 48 -23.153 -20.881 -4.999 414 2HZ LYS 48 HZ2 LYS 48 -21.721 -21.756 -5.259 415 3HZ LYS 48 HZ1 LYS 48 -22.160 -21.286 -3.686 416 H GLU 49 HN GLU 49 -21.315 -13.821 -4.637 417 HA GLU 49 HA GLU 49 -23.050 -13.304 -7.015 418 1HB GLU 49 HB2 GLU 49 -24.292 -11.888 -5.173 419 2HB GLU 49 HB1 GLU 49 -24.450 -13.643 -5.175 420 1HG GLU 49 HG2 GLU 49 -22.247 -12.301 -3.604 421 2HG GLU 49 HG1 GLU 49 -23.867 -12.468 -2.926 422 H GLN 50 HN GLN 50 -22.966 -11.392 -8.071 423 HA GLN 50 HA GLN 50 -20.743 -9.600 -7.652 424 1HB GLN 50 HB2 GLN 50 -23.213 -9.441 -9.398 425 2HB GLN 50 HB1 GLN 50 -21.931 -8.228 -9.423 426 1HG GLN 50 HG2 GLN 50 -20.296 -9.858 -10.106 427 2HG GLN 50 HG1 GLN 50 -21.430 -11.183 -9.847 428 1HE2 GLN 50 HE22 GLN 50 -21.370 -10.236 -13.505 429 2HE2 GLN 50 HE21 GLN 50 -20.148 -10.651 -12.402 430 H GLU 51 HN GLU 51 -23.940 -9.773 -6.393 431 HA GLU 51 HA GLU 51 -24.492 -7.036 -5.869 432 1HB GLU 51 HB2 GLU 51 -26.148 -8.857 -5.570 433 2HB GLU 51 HB1 GLU 51 -25.225 -9.457 -4.193 434 1HG GLU 51 HG2 GLU 51 -25.581 -7.339 -2.999 435 2HG GLU 51 HG1 GLU 51 -26.457 -6.691 -4.386 436 H VAL 52 HN VAL 52 -22.611 -9.418 -4.022 437 HA VAL 52 HA VAL 52 -22.193 -7.837 -1.694 438 HB VAL 52 HB VAL 52 -20.424 -9.908 -3.028 439 1HG1 VAL 52 HG13 VAL 52 -20.182 -8.466 -0.386 440 2HG1 VAL 52 HG12 VAL 52 -19.462 -10.057 -0.639 441 3HG1 VAL 52 HG11 VAL 52 -18.952 -8.689 -1.630 442 1HG2 VAL 52 HG22 VAL 52 -22.755 -10.530 -2.155 443 2HG2 VAL 52 HG21 VAL 52 -21.405 -11.463 -1.508 444 3HG2 VAL 52 HG23 VAL 52 -22.130 -10.176 -0.543 445 H VAL 53 HN VAL 53 -20.426 -7.968 -4.780 446 HA VAL 53 HA VAL 53 -18.335 -6.154 -4.002 447 HB VAL 53 HB VAL 53 -19.493 -6.888 -6.707 448 1HG1 VAL 53 HG11 VAL 53 -17.152 -5.115 -5.979 449 2HG1 VAL 53 HG13 VAL 53 -17.292 -5.898 -7.553 450 3HG1 VAL 53 HG12 VAL 53 -18.511 -4.733 -7.036 451 1HG2 VAL 53 HG23 VAL 53 -16.924 -7.643 -5.280 452 2HG2 VAL 53 HG22 VAL 53 -18.330 -8.688 -5.484 453 3HG2 VAL 53 HG21 VAL 53 -17.395 -8.182 -6.892 454 H ASP 54 HN ASP 54 -21.493 -5.664 -5.581 455 HA ASP 54 HA ASP 54 -21.236 -2.878 -6.078 456 1HB ASP 54 HB2 ASP 54 -23.663 -4.585 -5.483 457 2HB ASP 54 HB1 ASP 54 -23.766 -2.893 -5.972 458 H LYS 55 HN LYS 55 -22.491 -4.579 -3.199 459 HA LYS 55 HA LYS 55 -23.241 -2.220 -1.775 460 1HB LYS 55 HB2 LYS 55 -23.948 -4.500 -1.113 461 2HB LYS 55 HB1 LYS 55 -22.289 -4.875 -0.660 462 1HG LYS 55 HG2 LYS 55 -23.304 -2.384 0.592 463 2HG LYS 55 HG1 LYS 55 -24.218 -3.809 1.060 464 1HD LYS 55 HD2 LYS 55 -21.196 -3.539 1.244 465 2HD LYS 55 HD1 LYS 55 -22.310 -3.343 2.594 466 1HE LYS 55 HE2 LYS 55 -21.388 -5.839 1.252 467 2HE LYS 55 HE1 LYS 55 -21.876 -5.580 2.924 468 1HZ LYS 55 HZ1 LYS 55 -23.816 -5.587 0.689 469 2HZ LYS 55 HZ3 LYS 55 -23.384 -7.000 1.522 470 3HZ LYS 55 HZ2 LYS 55 -24.130 -5.719 2.352 471 H VAL 56 HN VAL 56 -20.176 -4.014 -1.903 472 HA VAL 56 HA VAL 56 -18.845 -2.468 0.109 473 HB VAL 56 HB VAL 56 -17.796 -4.074 -2.239 474 1HG1 VAL 56 HG13 VAL 56 -16.322 -2.639 -0.018 475 2HG1 VAL 56 HG12 VAL 56 -15.610 -3.975 -0.921 476 3HG1 VAL 56 HG11 VAL 56 -16.064 -2.490 -1.756 477 1HG2 VAL 56 HG23 VAL 56 -18.029 -4.572 0.743 478 2HG2 VAL 56 HG22 VAL 56 -18.886 -5.419 -0.544 479 3HG2 VAL 56 HG21 VAL 56 -17.145 -5.624 -0.360 480 H MET 57 HN MET 57 -19.125 -2.058 -3.418 481 HA MET 57 HA MET 57 -17.291 0.101 -3.673 482 1HB MET 57 HB2 MET 57 -19.805 -0.558 -5.227 483 2HB MET 57 HB1 MET 57 -18.677 0.714 -5.692 484 1HG MET 57 HG2 MET 57 -17.856 -2.169 -5.261 485 2HG MET 57 HG1 MET 57 -18.276 -1.507 -6.840 486 1HE MET 57 HE1 MET 57 -17.520 0.516 -7.697 487 2HE MET 57 HE3 MET 57 -16.056 1.420 -7.295 488 3HE MET 57 HE2 MET 57 -15.961 0.003 -8.335 489 H GLU 58 HN GLU 58 -20.762 0.088 -2.876 490 HA GLU 58 HA GLU 58 -21.133 2.913 -2.885 491 1HB GLU 58 HB2 GLU 58 -22.954 1.165 -2.733 492 2HB GLU 58 HB1 GLU 58 -22.514 0.948 -1.037 493 1HG GLU 58 HG2 GLU 58 -22.939 3.343 -0.620 494 2HG GLU 58 HG1 GLU 58 -23.385 3.556 -2.313 495 H THR 59 HN THR 59 -20.065 0.709 -0.319 496 HA THR 59 HA THR 59 -19.935 2.719 1.740 497 HB THR 59 HB THR 59 -18.428 0.095 1.496 498 HG1 THR 59 HG1 THR 59 -20.586 0.430 3.194 499 1HG2 THR 59 HG22 THR 59 -18.933 1.976 3.814 500 2HG2 THR 59 HG21 THR 59 -18.367 0.318 4.015 501 3HG2 THR 59 HG23 THR 59 -17.371 1.491 3.153 502 H LEU 60 HN LEU 60 -17.554 1.431 -0.563 503 HA LEU 60 HA LEU 60 -15.358 2.986 0.515 504 1HB LEU 60 HB2 LEU 60 -15.804 1.140 -1.761 505 2HB LEU 60 HB1 LEU 60 -14.597 2.379 -2.080 506 HG LEU 60 HG LEU 60 -13.587 0.335 -1.163 507 1HD1 LEU 60 HD11 LEU 60 -12.937 2.873 -0.482 508 2HD1 LEU 60 HD13 LEU 60 -13.256 2.220 1.126 509 3HD1 LEU 60 HD12 LEU 60 -12.045 1.469 0.091 510 1HD2 LEU 60 HD23 LEU 60 -15.700 -0.174 0.248 511 2HD2 LEU 60 HD22 LEU 60 -14.130 -0.567 0.948 512 3HD2 LEU 60 HD21 LEU 60 -14.980 0.892 1.455 513 H ASP 61 HN ASP 61 -18.066 3.979 -1.188 514 HA ASP 61 HA ASP 61 -16.798 5.884 -2.970 515 1HB ASP 61 HB2 ASP 61 -19.164 5.033 -3.209 516 2HB ASP 61 HB1 ASP 61 -19.597 6.034 -1.820 517 H GLU 62 HN GLU 62 -15.278 6.535 -1.091 518 HA GLU 62 HA GLU 62 -16.296 8.213 1.019 519 1HB GLU 62 HB2 GLU 62 -14.100 7.045 1.123 520 2HB GLU 62 HB1 GLU 62 -13.497 8.107 -0.147 521 1HG GLU 62 HG2 GLU 62 -12.794 8.961 2.035 522 2HG GLU 62 HG1 GLU 62 -13.959 10.073 1.320 523 H ASP 63 HN ASP 63 -14.960 8.929 -2.217 524 HA ASP 63 HA ASP 63 -15.243 11.827 -1.741 525 1HB ASP 63 HB2 ASP 63 -14.258 12.094 -3.943 526 2HB ASP 63 HB1 ASP 63 -13.333 10.887 -3.052 527 H GLY 64 HN GLY 64 -17.424 9.453 -2.529 528 1HA GLY 64 HA2 GLY 64 -19.650 9.650 -3.285 529 2HA GLY 64 HA1 GLY 64 -19.399 11.390 -3.353 530 H ASP 65 HN ASP 65 -17.196 9.362 -5.155 531 HA ASP 65 HA ASP 65 -18.163 10.612 -7.639 532 1HB ASP 65 HB2 ASP 65 -16.202 9.674 -8.669 533 2HB ASP 65 HB1 ASP 65 -15.719 10.293 -7.090 534 H GLY 66 HN GLY 66 -18.775 7.677 -5.963 535 1HA GLY 66 HA2 GLY 66 -20.459 6.105 -6.610 536 2HA GLY 66 HA1 GLY 66 -20.391 6.731 -8.255 537 H GLU 67 HN GLU 67 -17.246 6.380 -7.680 538 HA GLU 67 HA GLU 67 -17.100 3.436 -7.995 539 1HB GLU 67 HB2 GLU 67 -15.683 3.623 -10.014 540 2HB GLU 67 HB1 GLU 67 -17.315 4.212 -10.296 541 1HG GLU 67 HG2 GLU 67 -15.164 6.156 -9.463 542 2HG GLU 67 HG1 GLU 67 -15.252 5.622 -11.137 543 H CYS 68 HN CYS 68 -14.719 2.726 -7.968 544 HA CYS 68 HA CYS 68 -13.381 4.265 -5.831 545 1HB CYS 68 HB2 CYS 68 -11.764 2.250 -5.970 546 2HB CYS 68 HB1 CYS 68 -13.406 1.941 -5.407 547 HG CYS 68 HG CYS 68 -13.668 0.397 -7.316 548 H ASP 69 HN ASP 69 -11.972 5.815 -6.357 549 HA ASP 69 HA ASP 69 -10.653 5.817 -9.005 550 1HB ASP 69 HB2 ASP 69 -10.790 7.839 -6.757 551 2HB ASP 69 HB1 ASP 69 -9.826 8.076 -8.216 552 H PHE 70 HN PHE 70 -8.292 6.970 -8.616 553 HA PHE 70 HA PHE 70 -6.573 4.882 -7.738 554 1HB PHE 70 HB2 PHE 70 -6.016 6.748 -9.335 555 2HB PHE 70 HB1 PHE 70 -5.945 7.840 -7.957 556 HD1 PHE 70 HD1 PHE 70 -4.442 4.748 -9.404 557 HD2 PHE 70 HD2 PHE 70 -3.993 7.984 -6.610 558 HE1 PHE 70 HE1 PHE 70 -2.074 4.107 -9.038 559 HE2 PHE 70 HE2 PHE 70 -1.633 7.340 -6.241 560 HZ PHE 70 HZ PHE 70 -0.670 5.399 -7.454 561 H GLN 71 HN GLN 71 -7.411 7.978 -6.163 562 HA GLN 71 HA GLN 71 -5.916 7.562 -3.783 563 1HB GLN 71 HB2 GLN 71 -6.910 9.745 -4.427 564 2HB GLN 71 HB1 GLN 71 -8.518 9.087 -4.134 565 1HG GLN 71 HG2 GLN 71 -7.754 10.399 -2.198 566 2HG GLN 71 HG1 GLN 71 -7.927 8.702 -1.759 567 1HE2 GLN 71 HE22 GLN 71 -4.091 10.138 -2.240 568 2HE2 GLN 71 HE21 GLN 71 -5.328 10.759 -3.222 569 H GLU 72 HN GLU 72 -9.348 6.816 -4.482 570 HA GLU 72 HA GLU 72 -9.844 5.686 -1.879 571 1HB GLU 72 HB2 GLU 72 -11.307 5.400 -4.510 572 2HB GLU 72 HB1 GLU 72 -11.875 4.681 -3.002 573 1HG GLU 72 HG2 GLU 72 -11.876 6.927 -1.948 574 2HG GLU 72 HG1 GLU 72 -11.371 7.633 -3.485 575 H PHE 73 HN PHE 73 -8.769 4.285 -4.945 576 HA PHE 73 HA PHE 73 -9.112 1.549 -4.244 577 1HB PHE 73 HB2 PHE 73 -8.539 2.284 -6.522 578 2HB PHE 73 HB1 PHE 73 -6.964 2.835 -5.957 579 HD1 PHE 73 HD1 PHE 73 -9.107 -0.162 -6.440 580 HD2 PHE 73 HD2 PHE 73 -5.159 1.308 -5.605 581 HE1 PHE 73 HE1 PHE 73 -8.187 -2.439 -6.782 582 HE2 PHE 73 HE2 PHE 73 -4.241 -0.971 -5.945 583 HZ PHE 73 HZ PHE 73 -5.755 -2.843 -6.532 584 H MET 74 HN MET 74 -6.369 3.753 -3.689 585 HA MET 74 HA MET 74 -4.655 1.839 -2.442 586 1HB MET 74 HB2 MET 74 -4.015 4.168 -3.207 587 2HB MET 74 HB1 MET 74 -4.825 4.783 -1.766 588 1HG MET 74 HG2 MET 74 -2.501 4.555 -1.203 589 2HG MET 74 HG1 MET 74 -3.349 3.233 -0.402 590 1HE MET 74 HE3 MET 74 -0.970 2.429 -0.079 591 2HE MET 74 HE2 MET 74 -2.019 1.031 -0.298 592 3HE MET 74 HE1 MET 74 -0.438 1.065 -1.073 593 H ALA 75 HN ALA 75 -7.190 3.946 -1.163 594 HA ALA 75 HA ALA 75 -6.795 3.447 1.605 595 1HB ALA 75 HB2 ALA 75 -9.342 4.069 0.086 596 2HB ALA 75 HB1 ALA 75 -9.184 4.127 1.842 597 3HB ALA 75 HB3 ALA 75 -8.253 5.236 0.836 598 H PHE 76 HN PHE 76 -8.613 1.617 -0.832 599 HA PHE 76 HA PHE 76 -9.953 -0.137 0.955 600 1HB PHE 76 HB2 PHE 76 -10.474 -0.026 -1.449 601 2HB PHE 76 HB1 PHE 76 -8.901 -0.729 -1.825 602 HD1 PHE 76 HD1 PHE 76 -12.240 -1.374 -0.420 603 HD2 PHE 76 HD2 PHE 76 -8.415 -3.076 -1.354 604 HE1 PHE 76 HE1 PHE 76 -13.185 -3.644 -0.129 605 HE2 PHE 76 HE2 PHE 76 -9.356 -5.352 -1.057 606 HZ PHE 76 HZ PHE 76 -11.742 -5.635 -0.445 607 H VAL 77 HN VAL 77 -6.695 -0.353 -0.472 608 HA VAL 77 HA VAL 77 -6.083 -2.959 0.524 609 HB VAL 77 HB VAL 77 -4.287 -0.573 -0.020 610 1HG1 VAL 77 HG13 VAL 77 -3.625 -3.443 0.685 611 2HG1 VAL 77 HG12 VAL 77 -2.478 -2.366 -0.112 612 3HG1 VAL 77 HG11 VAL 77 -3.075 -1.979 1.501 613 1HG2 VAL 77 HG22 VAL 77 -5.106 -3.025 -1.592 614 2HG2 VAL 77 HG21 VAL 77 -5.306 -1.331 -2.041 615 3HG2 VAL 77 HG23 VAL 77 -3.698 -2.054 -2.022 616 H SER 78 HN SER 78 -5.783 0.263 1.976 617 HA SER 78 HA SER 78 -4.426 -0.544 4.345 618 1HB SER 78 HB2 SER 78 -5.114 1.568 5.272 619 2HB SER 78 HB1 SER 78 -4.788 1.829 3.560 620 HG SER 78 HG SER 78 -7.273 1.109 3.655 621 H MET 79 HN MET 79 -7.913 -0.395 3.591 622 HA MET 79 HA MET 79 -8.830 -1.009 6.217 623 1HB MET 79 HB2 MET 79 -10.035 -1.618 3.509 624 2HB MET 79 HB1 MET 79 -10.869 -1.925 5.033 625 1HG MET 79 HG2 MET 79 -10.662 0.455 5.637 626 2HG MET 79 HG1 MET 79 -9.821 0.769 4.118 627 1HE MET 79 HE2 MET 79 -11.515 2.618 4.145 628 2HE MET 79 HE1 MET 79 -13.165 2.500 3.541 629 3HE MET 79 HE3 MET 79 -12.809 2.116 5.230 630 H VAL 80 HN VAL 80 -8.035 -3.183 3.496 631 HA VAL 80 HA VAL 80 -8.614 -5.587 4.993 632 HB VAL 80 HB VAL 80 -6.843 -5.156 2.566 633 1HG1 VAL 80 HG13 VAL 80 -7.940 -7.659 3.871 634 2HG1 VAL 80 HG12 VAL 80 -7.283 -7.626 2.233 635 3HG1 VAL 80 HG11 VAL 80 -6.246 -7.244 3.608 636 1HG2 VAL 80 HG21 VAL 80 -9.245 -4.524 2.289 637 2HG2 VAL 80 HG23 VAL 80 -8.788 -5.905 1.294 638 3HG2 VAL 80 HG22 VAL 80 -9.701 -6.154 2.782 639 H THR 81 HN THR 81 -5.637 -3.780 4.286 640 HA THR 81 HA THR 81 -3.855 -5.559 5.646 641 HB THR 81 HB THR 81 -3.621 -2.564 5.204 642 HG1 THR 81 HG1 THR 81 -2.194 -4.354 3.681 643 1HG2 THR 81 HG21 THR 81 -1.694 -4.686 6.127 644 2HG2 THR 81 HG23 THR 81 -1.110 -3.285 5.229 645 3HG2 THR 81 HG22 THR 81 -1.945 -3.060 6.764 646 H THR 82 HN THR 82 -5.735 -2.741 6.721 647 HA THR 82 HA THR 82 -4.670 -2.611 9.375 648 HB THR 82 HB THR 82 -7.442 -1.857 8.391 649 HG1 THR 82 HG1 THR 82 -5.264 -0.136 8.846 650 1HG2 THR 82 HG21 THR 82 -5.885 -1.087 10.874 651 2HG2 THR 82 HG23 THR 82 -7.379 -0.307 10.355 652 3HG2 THR 82 HG22 THR 82 -7.388 -2.008 10.819 653 H ALA 83 HN ALA 83 -7.383 -4.433 7.982 654 HA ALA 83 HA ALA 83 -8.376 -5.486 10.446 655 1HB ALA 83 HB3 ALA 83 -9.509 -5.564 8.164 656 2HB ALA 83 HB2 ALA 83 -8.442 -6.914 7.780 657 3HB ALA 83 HB1 ALA 83 -9.595 -7.051 9.108 658 H CYS 84 HN CYS 84 -5.884 -6.662 8.202 659 HA CYS 84 HA CYS 84 -5.433 -9.164 9.533 660 1HB CYS 84 HB2 CYS 84 -3.452 -7.495 7.951 661 2HB CYS 84 HB1 CYS 84 -3.328 -9.222 8.291 662 HG CYS 84 HG CYS 84 -4.432 -8.763 5.884 663 H HIS 85 HN HIS 85 -5.086 -9.054 11.745 664 HA HIS 85 HA HIS 85 -3.122 -7.062 12.781 665 1HB HIS 85 HB2 HIS 85 -5.429 -7.382 13.829 666 2HB HIS 85 HB1 HIS 85 -4.851 -8.947 14.400 667 HD1 HIS 85 HD1 HIS 85 -5.443 -7.300 16.698 668 HD2 HIS 85 HD2 HIS 85 -1.830 -6.771 14.677 669 HE1 HIS 85 HE1 HIS 85 -3.876 -6.132 18.312 670 HE2 HIS 85 HE2 HIS 85 -1.678 -5.812 17.092 671 H GLU 86 HN GLU 86 -3.261 -9.512 14.984 672 HA GLU 86 HA GLU 86 -0.603 -10.527 14.176 673 1HB GLU 86 HB2 GLU 86 -2.305 -10.912 16.651 674 2HB GLU 86 HB1 GLU 86 -0.749 -11.702 16.412 675 1HG GLU 86 HG2 GLU 86 0.339 -9.498 16.180 676 2HG GLU 86 HG1 GLU 86 -1.218 -8.707 16.423 677 H PHE 87 HN PHE 87 -2.958 -11.279 12.617 678 HA PHE 87 HA PHE 87 -3.960 -13.845 13.282 679 1HB PHE 87 HB2 PHE 87 -4.743 -12.232 11.440 680 2HB PHE 87 HB1 PHE 87 -3.446 -12.907 10.454 681 HD1 PHE 87 HD1 PHE 87 -3.521 -15.248 9.696 682 HD2 PHE 87 HD2 PHE 87 -6.656 -13.568 12.104 683 HE1 PHE 87 HE1 PHE 87 -4.977 -17.184 9.156 684 HE2 PHE 87 HE2 PHE 87 -8.110 -15.501 11.566 685 HZ PHE 87 HZ PHE 87 -7.272 -17.310 10.094 686 H PHE 88 HN PHE 88 -1.111 -12.962 11.283 687 HA PHE 88 HA PHE 88 0.047 -15.629 11.916 688 1HB PHE 88 HB2 PHE 88 0.433 -16.249 9.674 689 2HB PHE 88 HB1 PHE 88 -1.212 -15.621 9.648 690 HD1 PHE 88 HD1 PHE 88 -1.530 -13.129 9.023 691 HD2 PHE 88 HD2 PHE 88 2.087 -15.320 8.271 692 HE1 PHE 88 HE1 PHE 88 -0.861 -11.447 7.329 693 HE2 PHE 88 HE2 PHE 88 2.757 -13.637 6.578 694 HZ PHE 88 HZ PHE 88 1.282 -11.700 6.106 695 H GLU 89 HN GLU 89 0.480 -12.600 12.403 696 HA GLU 89 HA GLU 89 2.918 -11.816 11.149 697 1HB GLU 89 HB2 GLU 89 1.820 -11.090 13.886 698 2HB GLU 89 HB1 GLU 89 3.130 -10.240 13.061 699 1HG GLU 89 HG2 GLU 89 1.623 -9.725 11.180 700 2HG GLU 89 HG1 GLU 89 0.311 -10.570 12.001 701 H HIS 90 HN HIS 90 4.358 -11.306 13.775 702 HA HIS 90 HA HIS 90 6.091 -12.340 14.966 703 1HB HIS 90 HB2 HIS 90 4.023 -13.592 15.842 704 2HB HIS 90 HB1 HIS 90 4.476 -14.886 14.736 705 HD1 HIS 90 HD1 HIS 90 7.654 -13.953 15.364 706 HD2 HIS 90 HD2 HIS 90 4.779 -15.517 17.951 707 HE1 HIS 90 HE1 HIS 90 8.918 -14.976 17.309 708 HE2 HIS 90 HE2 HIS 90 7.178 -15.937 18.884 709 H GLU 91 HN GLU 91 6.352 -12.189 12.148 710 HA GLU 91 HA GLU 91 8.457 -14.110 11.723 711 1HB GLU 91 HB2 GLU 91 6.520 -15.603 11.347 712 2HB GLU 91 HB1 GLU 91 5.908 -14.497 10.119 713 1HG GLU 91 HG2 GLU 91 7.953 -14.840 8.781 714 2HG GLU 91 HG1 GLU 91 8.580 -15.934 10.014 715 1H MET 0 HT3 MET 0 0.443 -15.682 -8.209 716 2H MET 0 HT2 MET 0 -0.540 -16.155 -9.512 717 3H MET 0 HT1 MET 0 0.614 -17.230 -8.882 718 HA MET 0 HA MET 0 2.415 -15.922 -9.678 719 1HB MET 0 HB2 MET 0 0.223 -16.173 -11.766 720 2HB MET 0 HB1 MET 0 1.940 -15.962 -12.115 721 1HG MET 0 HG2 MET 0 1.574 -18.305 -12.270 722 2HG MET 0 HG1 MET 0 2.317 -18.069 -10.689 723 1HE MET 0 HE1 MET 0 -0.753 -18.082 -12.709 724 2HE MET 0 HE3 MET 0 -0.762 -19.827 -12.425 725 3HE MET 0 HE2 MET 0 -2.038 -18.815 -11.753 726 H SER 1 HN SER 1 0.585 -14.019 -8.321 727 HA SER 1 HA SER 1 0.761 -11.683 -10.203 728 1HB SER 1 HB2 SER 1 -0.945 -10.664 -8.630 729 2HB SER 1 HB1 SER 1 -1.524 -12.046 -9.556 730 HG SER 1 HG SER 1 -0.356 -12.367 -7.007 731 H GLU 2 HN GLU 2 2.178 -10.122 -9.662 732 HA GLU 2 HA GLU 2 3.960 -10.358 -7.440 733 1HB GLU 2 HB2 GLU 2 3.310 -8.030 -9.266 734 2HB GLU 2 HB1 GLU 2 4.595 -7.984 -8.060 735 1HG GLU 2 HG2 GLU 2 4.404 -10.105 -10.217 736 2HG GLU 2 HG1 GLU 2 5.371 -8.639 -10.373 737 H LEU 3 HN LEU 3 1.038 -8.416 -7.944 738 HA LEU 3 HA LEU 3 1.217 -6.843 -5.592 739 1HB LEU 3 HB2 LEU 3 -0.524 -6.978 -7.689 740 2HB LEU 3 HB1 LEU 3 -1.515 -7.712 -6.435 741 HG LEU 3 HG LEU 3 -0.209 -4.972 -6.364 742 1HD1 LEU 3 HD12 LEU 3 -2.362 -5.370 -7.679 743 2HD1 LEU 3 HD11 LEU 3 -3.130 -5.717 -6.129 744 3HD1 LEU 3 HD13 LEU 3 -2.438 -4.124 -6.433 745 1HD2 LEU 3 HD23 LEU 3 -1.452 -6.654 -4.194 746 2HD2 LEU 3 HD22 LEU 3 -0.054 -5.585 -4.112 747 3HD2 LEU 3 HD21 LEU 3 -1.677 -4.905 -4.152 748 H GLU 4 HN GLU 4 -0.152 -10.108 -6.072 749 HA GLU 4 HA GLU 4 -1.303 -10.382 -3.480 750 1HB GLU 4 HB2 GLU 4 -1.714 -11.990 -5.316 751 2HB GLU 4 HB1 GLU 4 -0.037 -12.520 -5.229 752 1HG GLU 4 HG2 GLU 4 -1.507 -14.078 -4.012 753 2HG GLU 4 HG1 GLU 4 -0.399 -13.280 -2.900 754 H LYS 5 HN LYS 5 1.971 -11.167 -4.658 755 HA LYS 5 HA LYS 5 2.941 -12.082 -2.106 756 1HB LYS 5 HB2 LYS 5 4.371 -10.997 -4.546 757 2HB LYS 5 HB1 LYS 5 5.216 -11.627 -3.131 758 1HG LYS 5 HG2 LYS 5 4.005 -13.780 -3.397 759 2HG LYS 5 HG1 LYS 5 3.244 -13.155 -4.857 760 1HD LYS 5 HD2 LYS 5 6.247 -13.345 -4.473 761 2HD LYS 5 HD1 LYS 5 5.288 -14.588 -5.272 762 1HE LYS 5 HE2 LYS 5 5.967 -13.325 -7.107 763 2HE LYS 5 HE1 LYS 5 4.439 -12.532 -6.735 764 1HZ LYS 5 HZ2 LYS 5 6.032 -11.163 -5.150 765 2HZ LYS 5 HZ1 LYS 5 7.171 -11.596 -6.332 766 3HZ LYS 5 HZ3 LYS 5 5.782 -10.728 -6.773 767 H ALA 6 HN ALA 6 2.734 -8.917 -3.655 768 HA ALA 6 HA ALA 6 4.436 -7.473 -1.899 769 1HB ALA 6 HB1 ALA 6 1.925 -6.602 -3.356 770 2HB ALA 6 HB3 ALA 6 3.028 -5.499 -2.542 771 3HB ALA 6 HB2 ALA 6 3.583 -6.438 -3.928 772 H MET 7 HN MET 7 0.986 -8.322 -1.614 773 HA MET 7 HA MET 7 0.447 -6.820 0.747 774 1HB MET 7 HB2 MET 7 -1.303 -7.937 -0.632 775 2HB MET 7 HB1 MET 7 -0.717 -9.503 -0.077 776 1HG MET 7 HG2 MET 7 -2.636 -8.853 1.272 777 2HG MET 7 HG1 MET 7 -1.193 -8.795 2.279 778 1HE MET 7 HE2 MET 7 -4.311 -7.285 1.867 779 2HE MET 7 HE1 MET 7 -3.533 -7.453 3.439 780 3HE MET 7 HE3 MET 7 -4.030 -5.857 2.860 781 H VAL 8 HN VAL 8 1.561 -10.185 0.326 782 HA VAL 8 HA VAL 8 1.840 -10.695 3.157 783 HB VAL 8 HB VAL 8 3.038 -12.031 0.709 784 1HG1 VAL 8 HG13 VAL 8 3.256 -12.712 3.647 785 2HG1 VAL 8 HG12 VAL 8 3.480 -13.922 2.385 786 3HG1 VAL 8 HG11 VAL 8 4.559 -12.531 2.474 787 1HG2 VAL 8 HG21 VAL 8 0.518 -12.117 1.199 788 2HG2 VAL 8 HG23 VAL 8 1.334 -13.668 1.010 789 3HG2 VAL 8 HG22 VAL 8 0.937 -13.070 2.622 790 H ALA 9 HN ALA 9 4.044 -9.613 0.602 791 HA ALA 9 HA ALA 9 6.453 -9.660 2.109 792 1HB ALA 9 HB3 ALA 9 6.171 -9.276 -0.409 793 2HB ALA 9 HB2 ALA 9 5.806 -7.598 -0.007 794 3HB ALA 9 HB1 ALA 9 7.380 -8.280 0.401 795 H LEU 10 HN LEU 10 3.969 -7.137 1.787 796 HA LEU 10 HA LEU 10 5.361 -5.067 3.132 797 1HB LEU 10 HB2 LEU 10 3.220 -4.780 1.878 798 2HB LEU 10 HB1 LEU 10 2.378 -5.635 3.163 799 HG LEU 10 HG LEU 10 3.275 -3.851 4.768 800 1HD1 LEU 10 HD11 LEU 10 4.038 -2.636 2.104 801 2HD1 LEU 10 HD13 LEU 10 3.731 -1.639 3.524 802 3HD1 LEU 10 HD12 LEU 10 5.035 -2.820 3.546 803 1HD2 LEU 10 HD21 LEU 10 0.942 -3.910 3.937 804 2HD2 LEU 10 HD23 LEU 10 1.513 -2.255 4.149 805 3HD2 LEU 10 HD22 LEU 10 1.428 -2.958 2.534 806 H ILE 11 HN ILE 11 3.077 -7.481 4.510 807 HA ILE 11 HA ILE 11 3.482 -6.570 7.221 808 HB ILE 11 HB ILE 11 2.396 -9.177 6.122 809 1HG1 ILE 11 HG12 ILE 11 0.967 -6.832 7.404 810 2HG1 ILE 11 HG11 ILE 11 1.165 -7.003 5.659 811 1HG2 ILE 11 HG23 ILE 11 2.559 -8.095 8.946 812 2HG2 ILE 11 HG22 ILE 11 1.402 -9.340 8.473 813 3HG2 ILE 11 HG21 ILE 11 3.134 -9.652 8.351 814 1HD1 ILE 11 HD12 ILE 11 -0.087 -9.147 7.392 815 2HD1 ILE 11 HD11 ILE 11 -1.028 -7.895 6.583 816 3HD1 ILE 11 HD13 ILE 11 -0.094 -9.049 5.632 817 H ASP 12 HN ASP 12 4.822 -9.361 5.410 818 HA ASP 12 HA ASP 12 6.368 -10.417 7.551 819 1HB ASP 12 HB2 ASP 12 5.952 -11.588 5.386 820 2HB ASP 12 HB1 ASP 12 7.053 -10.457 4.598 821 H VAL 13 HN VAL 13 7.293 -8.116 4.993 822 HA VAL 13 HA VAL 13 9.979 -7.712 5.841 823 HB VAL 13 HB VAL 13 8.053 -5.913 4.347 824 1HG1 VAL 13 HG11 VAL 13 10.987 -5.547 5.000 825 2HG1 VAL 13 HG13 VAL 13 10.211 -4.732 3.641 826 3HG1 VAL 13 HG12 VAL 13 9.664 -4.417 5.288 827 1HG2 VAL 13 HG22 VAL 13 8.905 -8.156 3.391 828 2HG2 VAL 13 HG21 VAL 13 9.129 -6.722 2.392 829 3HG2 VAL 13 HG23 VAL 13 10.486 -7.378 3.307 830 H PHE 14 HN PHE 14 6.970 -6.096 6.804 831 HA PHE 14 HA PHE 14 8.101 -3.993 8.330 832 1HB PHE 14 HB2 PHE 14 5.733 -4.032 7.807 833 2HB PHE 14 HB1 PHE 14 5.515 -5.537 8.697 834 HD1 PHE 14 HD2 PHE 14 5.797 -5.567 11.184 835 HD2 PHE 14 HD1 PHE 14 5.792 -1.912 8.929 836 HE1 PHE 14 HE2 PHE 14 5.393 -4.285 13.268 837 HE2 PHE 14 HE1 PHE 14 5.383 -0.627 11.012 838 HZ PHE 14 HZ PHE 14 5.185 -1.814 13.183 839 H HIS 15 HN HIS 15 7.069 -7.251 9.469 840 HA HIS 15 HA HIS 15 8.105 -6.728 12.134 841 1HB HIS 15 HB2 HIS 15 6.983 -9.140 10.725 842 2HB HIS 15 HB1 HIS 15 7.802 -9.345 12.272 843 HD1 HIS 15 HD1 HIS 15 6.786 -8.015 14.335 844 HD2 HIS 15 HD2 HIS 15 4.399 -8.036 10.914 845 HE1 HIS 15 HE1 HIS 15 4.475 -7.282 15.070 846 HE2 HIS 15 HE2 HIS 15 3.016 -7.282 12.995 847 H GLN 16 HN GLN 16 9.343 -8.576 9.332 848 HA GLN 16 HA GLN 16 11.594 -9.679 10.658 849 1HB GLN 16 HB2 GLN 16 10.867 -10.377 8.409 850 2HB GLN 16 HB1 GLN 16 11.380 -8.818 7.762 851 1HG GLN 16 HG2 GLN 16 13.689 -9.258 8.369 852 2HG GLN 16 HG1 GLN 16 13.228 -10.742 9.203 853 1HE2 GLN 16 HE22 GLN 16 12.131 -11.686 5.557 854 2HE2 GLN 16 HE21 GLN 16 11.173 -10.932 6.737 855 H TYR 17 HN TYR 17 11.417 -6.630 8.765 856 HA TYR 17 HA TYR 17 14.144 -5.899 9.415 857 1HB TYR 17 HB2 TYR 17 11.784 -4.471 8.199 858 2HB TYR 17 HB1 TYR 17 13.205 -3.542 8.677 859 HD1 TYR 17 HD2 TYR 17 12.483 -6.811 6.949 860 HD2 TYR 17 HD1 TYR 17 14.774 -3.175 6.985 861 HE1 TYR 17 HE2 TYR 17 13.638 -7.514 4.871 862 HE2 TYR 17 HE1 TYR 17 15.927 -3.880 4.908 863 HH TYR 17 HH TYR 17 16.205 -6.744 3.850 864 H SER 18 HN SER 18 10.981 -4.990 10.739 865 HA SER 18 HA SER 18 12.022 -3.111 12.659 866 1HB SER 18 HB2 SER 18 9.650 -3.205 11.841 867 2HB SER 18 HB1 SER 18 9.430 -4.670 12.792 868 HG SER 18 HG SER 18 9.435 -2.079 13.574 869 H GLY 19 HN GLY 19 11.194 -6.562 12.845 870 1HA GLY 19 HA2 GLY 19 11.641 -6.770 15.683 871 2HA GLY 19 HA1 GLY 19 11.556 -8.122 14.558 872 H ARG 20 HN ARG 20 13.872 -6.370 13.130 873 HA ARG 20 HA ARG 20 15.985 -8.076 13.985 874 1HB ARG 20 HB2 ARG 20 15.887 -6.616 11.858 875 2HB ARG 20 HB1 ARG 20 16.469 -5.301 12.881 876 1HG ARG 20 HG2 ARG 20 18.338 -6.903 13.614 877 2HG ARG 20 HG1 ARG 20 17.841 -7.929 12.270 878 1HD ARG 20 HD2 ARG 20 19.433 -6.667 11.167 879 2HD ARG 20 HD1 ARG 20 18.062 -5.579 10.945 880 HE ARG 20 HE ARG 20 19.151 -4.816 13.385 881 1HH1 ARG 20 HH21 ARG 20 20.256 -5.250 10.146 882 2HH1 ARG 20 HH22 ARG 20 21.502 -4.053 10.270 883 1HH2 ARG 20 HH11 ARG 20 20.783 -3.263 13.570 884 2HH2 ARG 20 HH12 ARG 20 21.801 -2.928 12.210 885 H GLU 21 HN GLU 21 15.068 -4.811 15.053 886 HA GLU 21 HA GLU 21 16.855 -5.164 17.435 887 1HB GLU 21 HB2 GLU 21 16.506 -2.704 15.702 888 2HB GLU 21 HB1 GLU 21 17.272 -2.678 17.290 889 1HG GLU 21 HG2 GLU 21 18.943 -4.318 16.517 890 2HG GLU 21 HG1 GLU 21 18.181 -4.349 14.927 891 H GLY 22 HN GLY 22 14.850 -5.816 18.518 892 1HA GLY 22 HA2 GLY 22 12.840 -5.409 19.680 893 2HA GLY 22 HA1 GLY 22 13.657 -3.914 20.130 894 H ASP 23 HN ASP 23 11.411 -3.021 20.098 895 HA ASP 23 HA ASP 23 9.655 -1.849 19.050 896 1HB ASP 23 HB2 ASP 23 11.884 -1.399 17.037 897 2HB ASP 23 HB1 ASP 23 10.387 -0.469 17.116 898 H LYS 24 HN LYS 24 9.713 -4.638 18.556 899 HA LYS 24 HA LYS 24 9.538 -5.353 15.811 900 1HB LYS 24 HB2 LYS 24 8.472 -7.377 16.588 901 2HB LYS 24 HB1 LYS 24 9.724 -6.932 17.747 902 1HG LYS 24 HG2 LYS 24 7.817 -5.678 18.999 903 2HG LYS 24 HG1 LYS 24 6.730 -6.659 18.015 904 1HD LYS 24 HD2 LYS 24 8.840 -7.650 19.951 905 2HD LYS 24 HD1 LYS 24 7.093 -7.831 20.096 906 1HE LYS 24 HE2 LYS 24 7.205 -9.102 17.866 907 2HE LYS 24 HE1 LYS 24 8.949 -9.168 18.126 908 1HZ LYS 24 HZ2 LYS 24 6.932 -10.103 20.092 909 2HZ LYS 24 HZ1 LYS 24 7.739 -11.122 18.998 910 3HZ LYS 24 HZ3 LYS 24 8.618 -10.293 20.189 911 H HIS 25 HN HIS 25 7.097 -3.986 17.987 912 HA HIS 25 HA HIS 25 5.033 -4.241 15.850 913 1HB HIS 25 HB2 HIS 25 4.426 -4.924 18.141 914 2HB HIS 25 HB1 HIS 25 4.802 -3.301 18.720 915 HD1 HIS 25 HD1 HIS 25 2.899 -1.693 18.719 916 HD2 HIS 25 HD2 HIS 25 2.272 -4.819 16.030 917 HE1 HIS 25 HE1 HIS 25 0.566 -1.373 17.780 918 HE2 HIS 25 HE2 HIS 25 0.174 -3.272 16.142 919 H LYS 26 HN LYS 26 7.402 -2.066 16.524 920 HA LYS 26 HA LYS 26 5.758 0.194 15.448 921 1HB LYS 26 HB2 LYS 26 7.605 0.323 17.849 922 2HB LYS 26 HB1 LYS 26 6.916 1.731 17.043 923 1HG LYS 26 HG2 LYS 26 4.646 0.899 17.518 924 2HG LYS 26 HG1 LYS 26 5.329 -0.511 18.327 925 1HD LYS 26 HD2 LYS 26 6.444 0.963 19.962 926 2HD LYS 26 HD1 LYS 26 5.757 2.376 19.160 927 1HE LYS 26 HE2 LYS 26 3.543 1.792 19.783 928 2HE LYS 26 HE1 LYS 26 4.006 0.140 20.192 929 1HZ LYS 26 HZ2 LYS 26 5.555 1.902 21.720 930 2HZ LYS 26 HZ1 LYS 26 3.930 2.376 21.864 931 3HZ LYS 26 HZ3 LYS 26 4.386 0.790 22.255 932 H LEU 27 HN LEU 27 7.046 1.859 14.414 933 HA LEU 27 HA LEU 27 9.771 0.927 13.548 934 1HB LEU 27 HB2 LEU 27 7.660 2.522 12.059 935 2HB LEU 27 HB1 LEU 27 9.312 2.324 11.485 936 HG LEU 27 HG LEU 27 7.466 -0.004 12.101 937 1HD1 LEU 27 HD13 LEU 27 8.066 1.382 9.471 938 2HD1 LEU 27 HD12 LEU 27 7.225 -0.161 9.617 939 3HD1 LEU 27 HD11 LEU 27 6.503 1.304 10.285 940 1HD2 LEU 27 HD22 LEU 27 10.200 0.289 10.837 941 2HD2 LEU 27 HD21 LEU 27 9.685 -0.831 12.097 942 3HD2 LEU 27 HD23 LEU 27 9.174 -1.084 10.432 943 H LYS 28 HN LYS 28 11.302 2.171 14.509 944 HA LYS 28 HA LYS 28 10.626 4.955 15.328 945 1HB LYS 28 HB2 LYS 28 11.775 3.227 16.866 946 2HB LYS 28 HB1 LYS 28 13.213 3.482 15.879 947 1HG LYS 28 HG2 LYS 28 13.149 5.884 16.390 948 2HG LYS 28 HG1 LYS 28 11.688 5.662 17.340 949 1HD LYS 28 HD2 LYS 28 12.932 4.167 18.867 950 2HD LYS 28 HD1 LYS 28 14.395 4.424 17.913 951 1HE LYS 28 HE2 LYS 28 14.401 5.928 19.847 952 2HE LYS 28 HE1 LYS 28 14.228 6.865 18.363 953 1HZ LYS 28 HZ3 LYS 28 11.914 5.962 19.977 954 2HZ LYS 28 HZ2 LYS 28 12.670 7.465 20.210 955 3HZ LYS 28 HZ1 LYS 28 11.924 7.107 18.725 956 H LYS 29 HN LYS 29 12.480 6.599 14.919 957 HA LYS 29 HA LYS 29 12.865 6.910 12.143 958 1HB LYS 29 HB2 LYS 29 14.428 8.706 12.696 959 2HB LYS 29 HB1 LYS 29 13.058 8.754 13.798 960 1HG LYS 29 HG2 LYS 29 14.400 7.587 15.519 961 2HG LYS 29 HG1 LYS 29 15.763 7.519 14.416 962 1HD LYS 29 HD2 LYS 29 16.189 9.390 15.813 963 2HD LYS 29 HD1 LYS 29 15.637 10.052 14.282 964 1HE LYS 29 HE2 LYS 29 14.624 11.094 16.382 965 2HE LYS 29 HE1 LYS 29 13.467 10.553 15.171 966 1HZ LYS 29 HZ3 LYS 29 14.230 8.555 17.117 967 2HZ LYS 29 HZ2 LYS 29 13.380 9.879 17.759 968 3HZ LYS 29 HZ1 LYS 29 12.696 8.949 16.512 969 H SER 30 HN SER 30 15.025 5.418 14.550 970 HA SER 30 HA SER 30 17.282 5.109 12.840 971 1HB SER 30 HB2 SER 30 17.325 4.696 15.292 972 2HB SER 30 HB1 SER 30 16.355 3.248 15.047 973 HG SER 30 HG SER 30 18.179 2.789 13.434 974 H GLU 31 HN GLU 31 14.536 2.906 13.442 975 HA GLU 31 HA GLU 31 15.462 0.881 11.615 976 1HB GLU 31 HB2 GLU 31 12.719 1.506 12.736 977 2HB GLU 31 HB1 GLU 31 13.068 0.078 11.768 978 1HG GLU 31 HG2 GLU 31 14.718 0.697 14.219 979 2HG GLU 31 HG1 GLU 31 13.161 -0.111 14.373 980 H LEU 32 HN LEU 32 13.226 3.623 11.269 981 HA LEU 32 HA LEU 32 12.328 2.995 8.637 982 1HB LEU 32 HB2 LEU 32 11.277 4.695 10.129 983 2HB LEU 32 HB1 LEU 32 12.667 5.745 9.877 984 HG LEU 32 HG LEU 32 11.355 4.715 7.385 985 1HD1 LEU 32 HD12 LEU 32 9.999 6.666 9.261 986 2HD1 LEU 32 HD11 LEU 32 9.635 6.583 7.536 987 3HD1 LEU 32 HD13 LEU 32 9.334 5.186 8.571 988 1HD2 LEU 32 HD21 LEU 32 12.387 7.424 8.296 989 2HD2 LEU 32 HD23 LEU 32 13.197 6.303 7.205 990 3HD2 LEU 32 HD22 LEU 32 11.713 7.104 6.701 991 H LYS 33 HN LYS 33 15.132 4.838 9.783 992 HA LYS 33 HA LYS 33 16.000 5.832 7.268 993 1HB LYS 33 HB2 LYS 33 16.928 6.584 9.435 994 2HB LYS 33 HB1 LYS 33 17.710 5.016 9.637 995 1HG LYS 33 HG2 LYS 33 19.001 5.394 7.559 996 2HG LYS 33 HG1 LYS 33 18.218 6.962 7.363 997 1HD LYS 33 HD2 LYS 33 19.162 7.700 9.521 998 2HD LYS 33 HD1 LYS 33 19.946 6.132 9.711 999 1HE LYS 33 HE2 LYS 33 20.421 7.927 7.322 1000 2HE LYS 33 HE1 LYS 33 21.434 7.959 8.766 1001 1HZ LYS 33 HZ2 LYS 33 20.873 5.455 7.294 1002 2HZ LYS 33 HZ1 LYS 33 22.175 6.466 6.881 1003 3HZ LYS 33 HZ3 LYS 33 22.107 5.760 8.422 1004 H GLU 34 HN GLU 34 16.674 2.710 8.850 1005 HA GLU 34 HA GLU 34 18.637 1.801 7.009 1006 1HB GLU 34 HB2 GLU 34 17.799 0.738 9.239 1007 2HB GLU 34 HB1 GLU 34 16.580 -0.043 8.234 1008 1HG GLU 34 HG2 GLU 34 19.571 -0.213 7.756 1009 2HG GLU 34 HG1 GLU 34 18.607 -1.460 8.546 1010 H LEU 35 HN LEU 35 15.097 1.618 6.895 1011 HA LEU 35 HA LEU 35 14.868 0.006 4.562 1012 1HB LEU 35 HB2 LEU 35 13.085 2.183 5.668 1013 2HB LEU 35 HB1 LEU 35 12.632 1.171 4.300 1014 HG LEU 35 HG LEU 35 13.425 0.071 7.015 1015 1HD1 LEU 35 HD12 LEU 35 11.369 1.467 7.135 1016 2HD1 LEU 35 HD11 LEU 35 10.650 0.483 5.860 1017 3HD1 LEU 35 HD13 LEU 35 11.031 -0.240 7.424 1018 1HD2 LEU 35 HD23 LEU 35 12.380 -1.123 4.446 1019 2HD2 LEU 35 HD22 LEU 35 13.668 -1.707 5.499 1020 3HD2 LEU 35 HD21 LEU 35 11.988 -1.892 5.983 1021 H ILE 36 HN ILE 36 15.303 3.504 4.934 1022 HA ILE 36 HA ILE 36 14.835 4.267 2.244 1023 HB ILE 36 HB ILE 36 16.791 5.443 4.244 1024 1HG1 ILE 36 HG12 ILE 36 14.531 5.381 5.160 1025 2HG1 ILE 36 HG11 ILE 36 14.936 7.036 4.723 1026 1HG2 ILE 36 HG21 ILE 36 15.632 6.503 1.665 1027 2HG2 ILE 36 HG23 ILE 36 16.330 7.554 2.898 1028 3HG2 ILE 36 HG22 ILE 36 17.330 6.336 2.108 1029 1HD1 ILE 36 HD11 ILE 36 13.778 6.376 2.424 1030 2HD1 ILE 36 HD13 ILE 36 12.995 5.155 3.426 1031 3HD1 ILE 36 HD12 ILE 36 12.809 6.865 3.810 1032 H ASN 37 HN ASN 37 18.005 3.425 3.769 1033 HA ASN 37 HA ASN 37 19.477 3.758 1.343 1034 1HB ASN 37 HB2 ASN 37 19.991 2.227 3.888 1035 2HB ASN 37 HB1 ASN 37 21.091 2.048 2.519 1036 1HD2 ASN 37 HD22 ASN 37 21.827 5.096 4.833 1037 2HD2 ASN 37 HD21 ASN 37 21.216 3.577 5.286 1038 H ASN 38 HN ASN 38 17.812 0.914 2.682 1039 HA ASN 38 HA ASN 38 18.687 -0.778 0.462 1040 1HB ASN 38 HB2 ASN 38 18.224 -1.773 2.654 1041 2HB ASN 38 HB1 ASN 38 16.552 -1.220 2.569 1042 1HD2 ASN 38 HD22 ASN 38 17.731 -4.386 0.227 1043 2HD2 ASN 38 HD21 ASN 38 18.905 -3.338 0.864 1044 H GLU 39 HN GLU 39 15.677 0.898 1.369 1045 HA GLU 39 HA GLU 39 14.630 0.371 -1.402 1046 1HB GLU 39 HB2 GLU 39 13.412 -0.804 0.462 1047 2HB GLU 39 HB1 GLU 39 12.998 0.780 1.118 1048 1HG GLU 39 HG2 GLU 39 11.849 1.363 -0.975 1049 2HG GLU 39 HG1 GLU 39 12.295 -0.195 -1.667 1050 H LEU 40 HN LEU 40 13.313 2.060 -2.308 1051 HA LEU 40 HA LEU 40 12.880 4.262 -2.904 1052 1HB LEU 40 HB2 LEU 40 12.786 4.347 0.105 1053 2HB LEU 40 HB1 LEU 40 12.598 5.832 -0.821 1054 HG LEU 40 HG LEU 40 10.950 3.433 -1.605 1055 1HD1 LEU 40 HD13 LEU 40 10.525 5.169 0.829 1056 2HD1 LEU 40 HD12 LEU 40 9.169 4.397 0.005 1057 3HD1 LEU 40 HD11 LEU 40 10.451 3.412 0.707 1058 1HD2 LEU 40 HD22 LEU 40 11.072 5.733 -2.811 1059 2HD2 LEU 40 HD21 LEU 40 9.474 5.067 -2.480 1060 3HD2 LEU 40 HD23 LEU 40 10.130 6.341 -1.451 1061 H SER 41 HN SER 41 15.746 3.292 -2.378 1062 HA SER 41 HA SER 41 17.211 5.619 -1.498 1063 1HB SER 41 HB2 SER 41 18.112 3.302 -3.232 1064 2HB SER 41 HB1 SER 41 19.175 4.468 -2.451 1065 HG SER 41 HG SER 41 17.657 3.647 -0.545 1066 H HIS 42 HN HIS 42 16.277 4.377 -4.710 1067 HA HIS 42 HA HIS 42 17.486 6.780 -5.979 1068 1HB HIS 42 HB2 HIS 42 17.665 4.284 -6.807 1069 2HB HIS 42 HB1 HIS 42 16.073 4.591 -7.498 1070 HD1 HIS 42 HD1 HIS 42 19.591 6.058 -7.546 1071 HD2 HIS 42 HD2 HIS 42 16.150 5.998 -9.904 1072 HE1 HIS 42 HE1 HIS 42 20.189 7.219 -9.717 1073 HE2 HIS 42 HE2 HIS 42 18.102 7.189 -11.159 1074 H PHE 43 HN PHE 43 14.299 5.159 -5.735 1075 HA PHE 43 HA PHE 43 12.891 7.014 -7.365 1076 1HB PHE 43 HB2 PHE 43 12.223 4.860 -5.504 1077 2HB PHE 43 HB1 PHE 43 11.059 6.172 -5.365 1078 HD1 PHE 43 HD1 PHE 43 12.878 4.237 -8.038 1079 HD2 PHE 43 HD2 PHE 43 9.231 6.156 -6.818 1080 HE1 PHE 43 HE1 PHE 43 11.780 3.490 -10.132 1081 HE2 PHE 43 HE2 PHE 43 8.136 5.403 -8.908 1082 HZ PHE 43 HZ PHE 43 9.408 4.070 -10.567 1083 H LEU 44 HN LEU 44 13.546 7.100 -3.852 1084 HA LEU 44 HA LEU 44 12.251 9.772 -3.704 1085 1HB LEU 44 HB2 LEU 44 11.795 8.078 -1.930 1086 2HB LEU 44 HB1 LEU 44 13.504 8.089 -1.515 1087 HG LEU 44 HG LEU 44 13.316 10.556 -1.050 1088 1HD1 LEU 44 HD13 LEU 44 10.430 9.949 -1.700 1089 2HD1 LEU 44 HD12 LEU 44 10.834 11.240 -0.570 1090 3HD1 LEU 44 HD11 LEU 44 11.417 11.312 -2.228 1091 1HD2 LEU 44 HD22 LEU 44 11.633 8.564 0.482 1092 2HD2 LEU 44 HD21 LEU 44 13.280 9.087 0.831 1093 3HD2 LEU 44 HD23 LEU 44 11.932 10.199 1.072 1094 H GLU 45 HN GLU 45 13.451 11.635 -2.997 1095 HA GLU 45 HA GLU 45 16.008 11.963 -4.128 1096 1HB GLU 45 HB2 GLU 45 14.394 13.783 -3.321 1097 2HB GLU 45 HB1 GLU 45 15.027 13.492 -1.702 1098 1HG GLU 45 HG2 GLU 45 16.868 14.097 -4.026 1099 2HG GLU 45 HG1 GLU 45 16.127 15.380 -3.074 1100 H GLU 46 HN GLU 46 18.081 11.614 -3.374 1101 HA GLU 46 HA GLU 46 18.499 9.709 -1.290 1102 1HB GLU 46 HB2 GLU 46 20.401 11.622 -2.668 1103 2HB GLU 46 HB1 GLU 46 20.926 10.370 -1.541 1104 1HG GLU 46 HG2 GLU 46 19.881 8.645 -2.966 1105 2HG GLU 46 HG1 GLU 46 19.361 9.896 -4.095 1106 H ILE 47 HN ILE 47 18.831 9.961 0.875 1107 HA ILE 47 HA ILE 47 18.917 12.758 1.961 1108 HB ILE 47 HB ILE 47 18.063 10.171 3.296 1109 1HG1 ILE 47 HG12 ILE 47 16.390 12.567 2.482 1110 2HG1 ILE 47 HG11 ILE 47 16.538 11.111 1.500 1111 1HG2 ILE 47 HG21 ILE 47 18.175 13.049 4.228 1112 2HG2 ILE 47 HG23 ILE 47 17.207 11.819 5.036 1113 3HG2 ILE 47 HG22 ILE 47 18.960 11.650 4.960 1114 1HD1 ILE 47 HD11 ILE 47 15.740 10.853 4.391 1115 2HD1 ILE 47 HD13 ILE 47 14.538 11.337 3.194 1116 3HD1 ILE 47 HD12 ILE 47 15.371 9.793 3.031 1117 H LYS 48 HN LYS 48 20.811 13.378 2.832 1118 HA LYS 48 HA LYS 48 22.837 11.288 3.545 1119 1HB LYS 48 HB2 LYS 48 23.379 13.048 1.805 1120 2HB LYS 48 HB1 LYS 48 23.278 14.249 3.093 1121 1HG LYS 48 HG2 LYS 48 24.980 12.828 4.364 1122 2HG LYS 48 HG1 LYS 48 25.219 11.940 2.859 1123 1HD LYS 48 HD2 LYS 48 25.591 14.926 3.237 1124 2HD LYS 48 HD1 LYS 48 26.881 13.738 3.062 1125 1HE LYS 48 HE2 LYS 48 25.732 13.109 0.827 1126 2HE LYS 48 HE1 LYS 48 24.872 14.640 1.001 1127 1HZ LYS 48 HZ3 LYS 48 27.182 15.619 1.375 1128 2HZ LYS 48 HZ2 LYS 48 27.768 14.176 0.695 1129 3HZ LYS 48 HZ1 LYS 48 26.751 15.192 -0.208 1130 H GLU 49 HN GLU 49 20.990 14.012 4.765 1131 HA GLU 49 HA GLU 49 22.426 13.875 7.383 1132 1HB GLU 49 HB2 GLU 49 20.861 15.958 7.776 1133 2HB GLU 49 HB1 GLU 49 22.292 16.125 6.762 1134 1HG GLU 49 HG2 GLU 49 19.634 15.346 5.558 1135 2HG GLU 49 HG1 GLU 49 20.034 17.037 5.848 1136 H GLN 50 HN GLN 50 21.429 13.097 9.167 1137 HA GLN 50 HA GLN 50 18.983 11.586 8.920 1138 1HB GLN 50 HB2 GLN 50 20.650 12.419 11.309 1139 2HB GLN 50 HB1 GLN 50 19.239 11.366 11.429 1140 1HG GLN 50 HG2 GLN 50 20.253 9.711 10.001 1141 2HG GLN 50 HG1 GLN 50 21.583 10.797 9.599 1142 1HE2 GLN 50 HE22 GLN 50 22.635 8.430 12.350 1143 2HE2 GLN 50 HE21 GLN 50 21.965 8.183 10.811 1144 H GLU 51 HN GLU 51 19.693 14.871 9.654 1145 HA GLU 51 HA GLU 51 17.502 15.564 11.324 1146 1HB GLU 51 HB2 GLU 51 19.386 17.089 10.855 1147 2HB GLU 51 HB1 GLU 51 18.853 17.237 9.180 1148 1HG GLU 51 HG2 GLU 51 16.725 18.219 9.922 1149 2HG GLU 51 HG1 GLU 51 17.208 18.021 11.607 1150 H VAL 52 HN VAL 52 17.725 15.312 7.787 1151 HA VAL 52 HA VAL 52 15.169 16.396 7.162 1152 HB VAL 52 HB VAL 52 16.801 14.230 5.794 1153 1HG1 VAL 52 HG12 VAL 52 14.269 15.652 4.966 1154 2HG1 VAL 52 HG11 VAL 52 15.370 14.948 3.781 1155 3HG1 VAL 52 HG13 VAL 52 14.593 13.919 4.985 1156 1HG2 VAL 52 HG21 VAL 52 17.694 16.634 6.050 1157 2HG2 VAL 52 HG23 VAL 52 17.640 15.974 4.416 1158 3HG2 VAL 52 HG22 VAL 52 16.398 17.106 4.951 1159 H VAL 53 HN VAL 53 16.158 13.092 8.055 1160 HA VAL 53 HA VAL 53 13.571 11.904 7.672 1161 HB VAL 53 HB VAL 53 15.923 11.131 9.424 1162 1HG1 VAL 53 HG12 VAL 53 13.291 9.723 8.928 1163 2HG1 VAL 53 HG11 VAL 53 14.737 8.860 9.450 1164 3HG1 VAL 53 HG13 VAL 53 14.039 10.112 10.477 1165 1HG2 VAL 53 HG21 VAL 53 14.857 10.116 6.773 1166 2HG2 VAL 53 HG23 VAL 53 16.366 10.987 7.039 1167 3HG2 VAL 53 HG22 VAL 53 16.168 9.355 7.674 1168 H ASP 54 HN ASP 54 15.158 13.377 10.504 1169 HA ASP 54 HA ASP 54 13.133 12.788 12.407 1170 1HB ASP 54 HB2 ASP 54 15.078 15.097 12.212 1171 2HB ASP 54 HB1 ASP 54 14.036 14.823 13.608 1172 H LYS 55 HN LYS 55 13.503 15.615 10.248 1173 HA LYS 55 HA LYS 55 11.224 17.024 11.238 1174 1HB LYS 55 HB2 LYS 55 12.933 18.059 9.776 1175 2HB LYS 55 HB1 LYS 55 12.386 17.057 8.437 1176 1HG LYS 55 HG2 LYS 55 10.185 18.553 9.748 1177 2HG LYS 55 HG1 LYS 55 11.402 19.603 9.038 1178 1HD LYS 55 HD2 LYS 55 9.969 17.355 7.580 1179 2HD LYS 55 HD1 LYS 55 9.570 19.065 7.448 1180 1HE LYS 55 HE2 LYS 55 11.830 17.557 6.233 1181 2HE LYS 55 HE1 LYS 55 10.993 18.988 5.642 1182 1HZ LYS 55 HZ1 LYS 55 12.794 19.117 7.979 1183 2HZ LYS 55 HZ3 LYS 55 13.392 19.242 6.397 1184 3HZ LYS 55 HZ2 LYS 55 12.269 20.380 6.972 1185 H VAL 56 HN VAL 56 11.544 14.590 8.667 1186 HA VAL 56 HA VAL 56 8.834 14.772 7.754 1187 HB VAL 56 HB VAL 56 10.866 12.529 7.647 1188 1HG1 VAL 56 HG12 VAL 56 8.096 12.731 6.451 1189 2HG1 VAL 56 HG11 VAL 56 9.327 11.642 5.816 1190 3HG1 VAL 56 HG13 VAL 56 8.740 11.442 7.468 1191 1HG2 VAL 56 HG22 VAL 56 11.226 14.728 6.396 1192 2HG2 VAL 56 HG21 VAL 56 11.236 13.270 5.404 1193 3HG2 VAL 56 HG23 VAL 56 9.807 14.305 5.438 1194 H MET 57 HN MET 57 10.375 12.783 10.269 1195 HA MET 57 HA MET 57 8.124 11.141 10.849 1196 1HB MET 57 HB2 MET 57 10.356 12.136 12.642 1197 2HB MET 57 HB1 MET 57 9.170 10.929 13.136 1198 1HG MET 57 HG2 MET 57 10.900 10.642 10.669 1199 2HG MET 57 HG1 MET 57 11.339 9.972 12.237 1200 1HE MET 57 HE1 MET 57 9.913 8.788 13.643 1201 2HE MET 57 HE3 MET 57 8.437 7.903 13.242 1202 3HE MET 57 HE2 MET 57 10.013 7.178 12.939 1203 H GLU 58 HN GLU 58 9.036 14.347 12.105 1204 HA GLU 58 HA GLU 58 6.975 14.560 14.060 1205 1HB GLU 58 HB2 GLU 58 8.951 16.128 13.762 1206 2HB GLU 58 HB1 GLU 58 8.075 16.851 12.411 1207 1HG GLU 58 HG2 GLU 58 6.182 17.368 13.917 1208 2HG GLU 58 HG1 GLU 58 7.072 16.659 15.266 1209 H THR 59 HN THR 59 7.010 15.385 10.606 1210 HA THR 59 HA THR 59 4.362 16.521 10.565 1211 HB THR 59 HB THR 59 5.976 15.256 8.327 1212 HG1 THR 59 HG1 THR 59 5.655 17.985 8.997 1213 1HG2 THR 59 HG21 THR 59 3.466 16.927 8.385 1214 2HG2 THR 59 HG23 THR 59 4.519 16.908 6.971 1215 3HG2 THR 59 HG22 THR 59 3.760 15.415 7.526 1216 H LEU 60 HN LEU 60 5.625 13.258 9.961 1217 HA LEU 60 HA LEU 60 3.051 12.175 9.186 1218 1HB LEU 60 HB2 LEU 60 5.806 11.178 9.585 1219 2HB LEU 60 HB1 LEU 60 4.574 9.987 9.976 1220 HG LEU 60 HG LEU 60 5.275 9.790 7.645 1221 1HD1 LEU 60 HD11 LEU 60 2.731 9.656 8.501 1222 2HD1 LEU 60 HD13 LEU 60 2.542 10.947 7.310 1223 3HD1 LEU 60 HD12 LEU 60 3.180 9.381 6.821 1224 1HD2 LEU 60 HD23 LEU 60 4.638 12.729 7.574 1225 2HD2 LEU 60 HD22 LEU 60 5.998 11.857 6.883 1226 3HD2 LEU 60 HD21 LEU 60 4.422 11.774 6.110 1227 H ASP 61 HN ASP 61 4.140 13.196 12.185 1228 HA ASP 61 HA ASP 61 3.066 11.042 13.807 1229 1HB ASP 61 HB2 ASP 61 4.733 12.778 14.601 1230 2HB ASP 61 HB1 ASP 61 3.406 13.942 14.615 1231 H GLU 62 HN GLU 62 1.049 11.021 12.309 1232 HA GLU 62 HA GLU 62 -0.926 13.099 12.599 1233 1HB GLU 62 HB2 GLU 62 -0.887 11.471 10.715 1234 2HB GLU 62 HB1 GLU 62 -1.320 10.186 11.841 1235 1HG GLU 62 HG2 GLU 62 -3.328 10.990 10.696 1236 2HG GLU 62 HG1 GLU 62 -3.412 11.420 12.402 1237 H ASP 63 HN ASP 63 -0.376 10.018 14.320 1238 HA ASP 63 HA ASP 63 -2.770 10.467 15.986 1239 1HB ASP 63 HB2 ASP 63 -2.249 8.320 16.984 1240 2HB ASP 63 HB1 ASP 63 -2.099 8.182 15.233 1241 H GLY 64 HN GLY 64 0.305 11.722 16.064 1242 1HA GLY 64 HA2 GLY 64 1.358 12.990 17.753 1243 2HA GLY 64 HA1 GLY 64 -0.059 12.711 18.752 1244 H ASP 65 HN ASP 65 1.587 9.911 17.474 1245 HA ASP 65 HA ASP 65 2.219 9.089 20.227 1246 1HB ASP 65 HB2 ASP 65 2.727 6.939 19.287 1247 2HB ASP 65 HB1 ASP 65 1.280 7.532 18.475 1248 H GLY 66 HN GLY 66 3.908 10.684 17.698 1249 1HA GLY 66 HA2 GLY 66 6.088 11.638 17.952 1250 2HA GLY 66 HA1 GLY 66 6.392 10.543 19.297 1251 H GLU 67 HN GLU 67 5.214 8.449 17.164 1252 HA GLU 67 HA GLU 67 7.618 8.219 15.442 1253 1HB GLU 67 HB2 GLU 67 7.940 5.842 16.053 1254 2HB GLU 67 HB1 GLU 67 8.239 6.919 17.409 1255 1HG GLU 67 HG2 GLU 67 5.496 5.717 17.041 1256 2HG GLU 67 HG1 GLU 67 6.781 4.755 17.761 1257 H CYS 68 HN CYS 68 7.262 6.386 13.789 1258 HA CYS 68 HA CYS 68 4.489 6.649 12.795 1259 1HB CYS 68 HB2 CYS 68 5.518 5.329 10.818 1260 2HB CYS 68 HB1 CYS 68 6.091 6.974 11.091 1261 HG CYS 68 HG CYS 68 8.349 6.090 11.605 1262 H ASP 69 HN ASP 69 3.007 5.180 13.377 1263 HA ASP 69 HA ASP 69 3.838 2.497 14.302 1264 1HB ASP 69 HB2 ASP 69 1.182 3.946 14.287 1265 2HB ASP 69 HB1 ASP 69 1.373 2.276 14.822 1266 H PHE 70 HN PHE 70 1.847 0.875 13.607 1267 HA PHE 70 HA PHE 70 2.395 0.122 10.919 1268 1HB PHE 70 HB2 PHE 70 1.525 -1.354 12.765 1269 2HB PHE 70 HB1 PHE 70 -0.043 -0.577 12.579 1270 HD1 PHE 70 HD1 PHE 70 2.536 -2.582 10.773 1271 HD2 PHE 70 HD2 PHE 70 -1.551 -1.261 10.879 1272 HE1 PHE 70 HE1 PHE 70 1.967 -4.190 8.972 1273 HE2 PHE 70 HE2 PHE 70 -2.117 -2.866 9.080 1274 HZ PHE 70 HZ PHE 70 -0.360 -4.333 8.124 1275 H GLN 71 HN GLN 71 -0.489 1.688 12.325 1276 HA GLN 71 HA GLN 71 -1.913 2.016 9.889 1277 1HB GLN 71 HB2 GLN 71 -2.927 2.326 12.127 1278 2HB GLN 71 HB1 GLN 71 -1.961 3.781 12.358 1279 1HG GLN 71 HG2 GLN 71 -4.233 4.368 11.622 1280 2HG GLN 71 HG1 GLN 71 -3.060 4.814 10.386 1281 1HE2 GLN 71 HE22 GLN 71 -5.382 1.485 9.661 1282 2HE2 GLN 71 HE21 GLN 71 -4.914 1.830 11.256 1283 H GLU 72 HN GLU 72 0.295 4.284 11.562 1284 HA GLU 72 HA GLU 72 0.078 6.324 9.545 1285 1HB GLU 72 HB2 GLU 72 2.159 5.808 11.675 1286 2HB GLU 72 HB1 GLU 72 2.195 7.216 10.611 1287 1HG GLU 72 HG2 GLU 72 -0.094 7.820 11.375 1288 2HG GLU 72 HG1 GLU 72 -0.061 6.454 12.490 1289 H PHE 73 HN PHE 73 2.296 3.598 9.967 1290 HA PHE 73 HA PHE 73 4.210 4.361 8.007 1291 1HB PHE 73 HB2 PHE 73 4.558 2.473 9.551 1292 2HB PHE 73 HB1 PHE 73 3.255 1.582 8.767 1293 HD1 PHE 73 HD1 PHE 73 6.645 3.022 8.267 1294 HD2 PHE 73 HD2 PHE 73 3.593 0.443 6.695 1295 HE1 PHE 73 HE1 PHE 73 8.249 2.145 6.589 1296 HE2 PHE 73 HE2 PHE 73 5.192 -0.431 5.016 1297 HZ PHE 73 HZ PHE 73 7.522 0.418 4.963 1298 H MET 74 HN MET 74 1.181 2.510 7.683 1299 HA MET 74 HA MET 74 1.413 1.999 4.883 1300 1HB MET 74 HB2 MET 74 -0.262 0.954 6.467 1301 2HB MET 74 HB1 MET 74 -1.163 2.470 6.407 1302 1HG MET 74 HG2 MET 74 -2.142 1.032 4.757 1303 2HG MET 74 HG1 MET 74 -1.183 2.221 3.876 1304 1HE MET 74 HE3 MET 74 -1.566 0.775 2.012 1305 2HE MET 74 HE2 MET 74 0.120 1.203 1.735 1306 3HE MET 74 HE1 MET 74 -0.413 -0.459 1.487 1307 H ALA 75 HN ALA 75 0.072 4.727 6.697 1308 HA ALA 75 HA ALA 75 -1.058 6.162 4.522 1309 1HB ALA 75 HB3 ALA 75 -1.471 6.731 6.885 1310 2HB ALA 75 HB2 ALA 75 0.202 7.265 7.050 1311 3HB ALA 75 HB1 ALA 75 -0.902 8.134 5.981 1312 H PHE 76 HN PHE 76 2.271 6.109 5.755 1313 HA PHE 76 HA PHE 76 3.250 8.312 4.255 1314 1HB PHE 76 HB2 PHE 76 4.558 7.207 6.028 1315 2HB PHE 76 HB1 PHE 76 4.702 5.766 5.022 1316 HD1 PHE 76 HD1 PHE 76 5.758 9.270 5.449 1317 HD2 PHE 76 HD2 PHE 76 6.122 5.735 3.042 1318 HE1 PHE 76 HE1 PHE 76 7.743 10.241 4.329 1319 HE2 PHE 76 HE2 PHE 76 8.106 6.706 1.916 1320 HZ PHE 76 HZ PHE 76 8.915 8.961 2.559 1321 H VAL 77 HN VAL 77 2.907 4.883 3.351 1322 HA VAL 77 HA VAL 77 4.217 5.089 0.822 1323 HB VAL 77 HB VAL 77 1.958 3.283 1.746 1324 1HG1 VAL 77 HG11 VAL 77 3.573 3.311 -0.814 1325 2HG1 VAL 77 HG13 VAL 77 2.747 1.864 -0.235 1326 3HG1 VAL 77 HG12 VAL 77 1.818 3.308 -0.640 1327 1HG2 VAL 77 HG23 VAL 77 4.966 2.993 1.537 1328 2HG2 VAL 77 HG22 VAL 77 3.964 2.847 2.981 1329 3HG2 VAL 77 HG21 VAL 77 3.890 1.610 1.726 1330 H SER 78 HN SER 78 0.861 5.689 1.808 1331 HA SER 78 HA SER 78 -0.197 6.118 -0.800 1332 1HB SER 78 HB2 SER 78 -2.060 7.167 0.300 1333 2HB SER 78 HB1 SER 78 -1.516 5.859 1.346 1334 HG SER 78 HG SER 78 -1.829 8.292 2.064 1335 H MET 79 HN MET 79 1.370 8.367 1.486 1336 HA MET 79 HA MET 79 0.881 10.735 -0.017 1337 1HB MET 79 HB2 MET 79 3.159 10.006 1.837 1338 2HB MET 79 HB1 MET 79 2.953 11.614 1.141 1339 1HG MET 79 HG2 MET 79 0.713 11.772 2.156 1340 2HG MET 79 HG1 MET 79 0.914 10.165 2.853 1341 1HE MET 79 HE2 MET 79 0.237 11.380 5.120 1342 2HE MET 79 HE1 MET 79 1.137 12.712 5.839 1343 3HE MET 79 HE3 MET 79 0.240 12.956 4.334 1344 H VAL 80 HN VAL 80 3.648 8.478 -0.129 1345 HA VAL 80 HA VAL 80 4.992 9.916 -2.245 1346 HB VAL 80 HB VAL 80 5.207 7.013 -1.380 1347 1HG1 VAL 80 HG12 VAL 80 6.949 8.720 -3.181 1348 2HG1 VAL 80 HG11 VAL 80 7.441 7.160 -2.525 1349 3HG1 VAL 80 HG13 VAL 80 6.075 7.257 -3.635 1350 1HG2 VAL 80 HG23 VAL 80 6.696 9.543 -0.639 1351 2HG2 VAL 80 HG22 VAL 80 5.832 8.444 0.436 1352 3HG2 VAL 80 HG21 VAL 80 7.342 7.933 -0.321 1353 H THR 81 HN THR 81 2.812 7.107 -2.167 1354 HA THR 81 HA THR 81 2.861 6.610 -4.988 1355 HB THR 81 HB THR 81 0.652 6.068 -2.975 1356 HG1 THR 81 HG1 THR 81 1.713 3.904 -3.256 1357 1HG2 THR 81 HG22 THR 81 1.161 5.131 -5.795 1358 2HG2 THR 81 HG21 THR 81 0.190 4.182 -4.671 1359 3HG2 THR 81 HG23 THR 81 -0.315 5.810 -5.114 1360 H THR 82 HN THR 82 0.822 8.679 -2.944 1361 HA THR 82 HA THR 82 -1.000 9.503 -4.993 1362 HB THR 82 HB THR 82 -0.054 11.025 -2.545 1363 HG1 THR 82 HG1 THR 82 -1.835 10.092 -1.577 1364 1HG2 THR 82 HG23 THR 82 -2.460 11.364 -4.353 1365 2HG2 THR 82 HG22 THR 82 -2.283 12.158 -2.789 1366 3HG2 THR 82 HG21 THR 82 -1.156 12.523 -4.095 1367 H ALA 83 HN ALA 83 2.136 10.792 -3.935 1368 HA ALA 83 HA ALA 83 2.106 13.137 -5.568 1369 1HB ALA 83 HB2 ALA 83 4.434 11.468 -4.577 1370 2HB ALA 83 HB1 ALA 83 4.586 13.071 -5.299 1371 3HB ALA 83 HB3 ALA 83 3.732 12.870 -3.769 1372 H CYS 84 HN CYS 84 3.196 9.816 -6.203 1373 HA CYS 84 HA CYS 84 4.325 10.364 -8.787 1374 1HB CYS 84 HB2 CYS 84 3.075 7.780 -7.802 1375 2HB CYS 84 HB1 CYS 84 4.215 7.948 -9.137 1376 HG CYS 84 HG CYS 84 4.933 8.184 -6.127 1377 H HIS 85 HN HIS 85 3.007 11.462 -10.224 1378 HA HIS 85 HA HIS 85 0.199 10.520 -10.588 1379 1HB HIS 85 HB2 HIS 85 0.792 12.985 -10.259 1380 2HB HIS 85 HB1 HIS 85 1.507 12.931 -11.868 1381 HD1 HIS 85 HD1 HIS 85 -0.700 14.786 -11.919 1382 HD2 HIS 85 HD2 HIS 85 -1.469 10.694 -12.182 1383 HE1 HIS 85 HE1 HIS 85 -3.000 14.548 -12.957 1384 HE2 HIS 85 HE2 HIS 85 -3.476 12.064 -13.116 1385 H GLU 86 HN GLU 86 1.045 12.068 -13.363 1386 HA GLU 86 HA GLU 86 1.260 9.520 -14.848 1387 1HB GLU 86 HB2 GLU 86 0.964 12.408 -15.716 1388 2HB GLU 86 HB1 GLU 86 1.116 11.065 -16.849 1389 1HG GLU 86 HG2 GLU 86 -0.895 10.011 -15.870 1390 2HG GLU 86 HG1 GLU 86 -1.047 11.360 -14.747 1391 H PHE 87 HN PHE 87 3.510 10.396 -13.196 1392 HA PHE 87 HA PHE 87 5.563 11.660 -14.691 1393 1HB PHE 87 HB2 PHE 87 5.517 11.071 -12.187 1394 2HB PHE 87 HB1 PHE 87 6.056 9.465 -12.672 1395 HD1 PHE 87 HD2 PHE 87 6.948 13.024 -12.466 1396 HD2 PHE 87 HD1 PHE 87 8.287 9.114 -13.639 1397 HE1 PHE 87 HE2 PHE 87 9.274 13.868 -12.621 1398 HE2 PHE 87 HE1 PHE 87 10.612 9.961 -13.794 1399 HZ PHE 87 HZ PHE 87 11.106 12.337 -13.283 1400 H PHE 88 HN PHE 88 4.800 8.172 -14.367 1401 HA PHE 88 HA PHE 88 6.137 7.729 -16.990 1402 1HB PHE 88 HB2 PHE 88 7.591 6.040 -16.221 1403 2HB PHE 88 HB1 PHE 88 7.729 7.289 -14.990 1404 HD1 PHE 88 HD1 PHE 88 6.192 7.086 -12.909 1405 HD2 PHE 88 HD2 PHE 88 6.960 3.847 -15.623 1406 HE1 PHE 88 HE1 PHE 88 5.478 5.462 -11.175 1407 HE2 PHE 88 HE2 PHE 88 6.244 2.223 -13.891 1408 HZ PHE 88 HZ PHE 88 5.504 3.032 -11.666 1409 H GLU 89 HN GLU 89 3.367 7.619 -15.601 1410 HA GLU 89 HA GLU 89 2.464 4.918 -15.583 1411 1HB GLU 89 HB2 GLU 89 0.946 7.468 -16.220 1412 2HB GLU 89 HB1 GLU 89 0.197 5.912 -15.860 1413 1HG GLU 89 HG2 GLU 89 1.292 5.891 -13.647 1414 2HG GLU 89 HG1 GLU 89 2.035 7.449 -14.006 1415 H HIS 90 HN HIS 90 0.207 5.420 -17.571 1416 HA HIS 90 HA HIS 90 -0.224 4.830 -19.797 1417 1HB HIS 90 HB2 HIS 90 1.099 7.020 -20.073 1418 2HB HIS 90 HB1 HIS 90 2.485 6.001 -20.449 1419 HD1 HIS 90 HD1 HIS 90 0.219 3.903 -21.821 1420 HD2 HIS 90 HD2 HIS 90 1.268 7.788 -22.922 1421 HE1 HIS 90 HE1 HIS 90 -0.400 4.149 -24.267 1422 HE2 HIS 90 HE2 HIS 90 0.227 6.511 -24.943 1423 H GLU 91 HN GLU 91 0.962 2.863 -18.139 1424 HA GLU 91 HA GLU 91 1.890 1.000 -20.135 1425 1HB GLU 91 HB2 GLU 91 3.972 2.323 -19.857 1426 2HB GLU 91 HB1 GLU 91 3.947 1.978 -18.127 1427 1HG GLU 91 HG2 GLU 91 4.107 -0.442 -18.604 1428 2HG GLU 91 HG1 GLU 91 4.128 -0.099 -20.333 No H/Q in entry = 1428 Start of MODEL 15 1 1H MET 0 HT1 MET 0 18.633 -3.040 -4.368 2 2H MET 0 HT3 MET 0 19.209 -2.860 -5.954 3 3H MET 0 HT2 MET 0 18.362 -1.590 -5.211 4 HA MET 0 HA MET 0 16.421 -2.377 -5.884 5 1HB MET 0 HB2 MET 0 17.890 -3.020 -7.841 6 2HB MET 0 HB1 MET 0 17.992 -4.639 -7.149 7 1HG MET 0 HG2 MET 0 15.594 -4.933 -7.321 8 2HG MET 0 HG1 MET 0 15.381 -3.254 -7.819 9 1HE MET 0 HE2 MET 0 17.005 -6.532 -8.373 10 2HE MET 0 HE1 MET 0 15.535 -6.844 -9.292 11 3HE MET 0 HE3 MET 0 17.100 -6.786 -10.114 12 H SER 1 HN SER 1 14.884 -3.375 -4.686 13 HA SER 1 HA SER 1 15.514 -6.031 -3.430 14 1HB SER 1 HB2 SER 1 15.590 -4.238 -1.724 15 2HB SER 1 HB1 SER 1 13.970 -3.727 -2.192 16 HG SER 1 HG SER 1 14.188 -5.241 -0.347 17 H GLU 2 HN GLU 2 13.495 -7.233 -2.864 18 HA GLU 2 HA GLU 2 11.756 -7.456 -5.105 19 1HB GLU 2 HB2 GLU 2 11.386 -8.368 -2.232 20 2HB GLU 2 HB1 GLU 2 10.352 -8.863 -3.571 21 1HG GLU 2 HG2 GLU 2 11.947 -10.609 -3.386 22 2HG GLU 2 HG1 GLU 2 12.519 -9.633 -4.737 23 H LEU 3 HN LEU 3 11.379 -5.758 -2.010 24 HA LEU 3 HA LEU 3 8.660 -5.008 -2.382 25 1HB LEU 3 HB2 LEU 3 8.906 -3.682 -0.484 26 2HB LEU 3 HB1 LEU 3 10.201 -4.854 -0.280 27 HG LEU 3 HG LEU 3 11.592 -2.983 -1.636 28 1HD1 LEU 3 HD12 LEU 3 9.282 -1.602 -1.543 29 2HD1 LEU 3 HD11 LEU 3 9.911 -1.133 0.031 30 3HD1 LEU 3 HD13 LEU 3 10.844 -0.799 -1.429 31 1HD2 LEU 3 HD23 LEU 3 10.939 -2.875 1.328 32 2HD2 LEU 3 HD22 LEU 3 12.197 -3.856 0.574 33 3HD2 LEU 3 HD21 LEU 3 12.330 -2.097 0.572 34 H GLU 4 HN GLU 4 11.641 -3.559 -3.613 35 HA GLU 4 HA GLU 4 10.532 -1.060 -4.414 36 1HB GLU 4 HB2 GLU 4 13.010 -2.411 -4.698 37 2HB GLU 4 HB1 GLU 4 12.501 -2.066 -6.347 38 1HG GLU 4 HG2 GLU 4 12.170 0.320 -5.720 39 2HG GLU 4 HG1 GLU 4 12.745 -0.046 -4.094 40 H LYS 5 HN LYS 5 10.603 -4.213 -6.025 41 HA LYS 5 HA LYS 5 9.334 -3.293 -8.451 42 1HB LYS 5 HB2 LYS 5 9.684 -6.027 -7.209 43 2HB LYS 5 HB1 LYS 5 8.850 -5.784 -8.745 44 1HG LYS 5 HG2 LYS 5 10.842 -4.697 -9.679 45 2HG LYS 5 HG1 LYS 5 11.683 -4.888 -8.139 46 1HD LYS 5 HD2 LYS 5 11.744 -7.250 -8.337 47 2HD LYS 5 HD1 LYS 5 10.537 -7.258 -9.623 48 1HE LYS 5 HE2 LYS 5 13.137 -7.498 -10.182 49 2HE LYS 5 HE1 LYS 5 12.062 -6.592 -11.245 50 1HZ LYS 5 HZ2 LYS 5 13.563 -5.341 -9.018 51 2HZ LYS 5 HZ1 LYS 5 14.164 -5.432 -10.605 52 3HZ LYS 5 HZ3 LYS 5 12.743 -4.563 -10.287 53 H ALA 6 HN ALA 6 8.169 -4.273 -5.309 54 HA ALA 6 HA ALA 6 5.495 -4.952 -5.991 55 1HB ALA 6 HB2 ALA 6 6.610 -5.206 -3.723 56 2HB ALA 6 HB1 ALA 6 6.350 -3.479 -3.488 57 3HB ALA 6 HB3 ALA 6 4.972 -4.559 -3.676 58 H MET 7 HN MET 7 6.937 -1.755 -5.231 59 HA MET 7 HA MET 7 4.501 -0.276 -5.393 60 1HB MET 7 HB2 MET 7 7.351 0.529 -6.044 61 2HB MET 7 HB1 MET 7 6.003 1.664 -6.022 62 1HG MET 7 HG2 MET 7 5.559 1.099 -3.663 63 2HG MET 7 HG1 MET 7 6.907 -0.038 -3.679 64 1HE MET 7 HE1 MET 7 7.894 1.179 -1.595 65 2HE MET 7 HE3 MET 7 8.213 2.917 -1.503 66 3HE MET 7 HE2 MET 7 6.556 2.325 -1.614 67 H VAL 8 HN VAL 8 6.824 -1.280 -7.870 68 HA VAL 8 HA VAL 8 5.517 0.096 -10.044 69 HB VAL 8 HB VAL 8 7.430 -2.256 -10.003 70 1HG1 VAL 8 HG11 VAL 8 6.204 -0.694 -12.283 71 2HG1 VAL 8 HG13 VAL 8 7.756 -1.515 -12.459 72 3HG1 VAL 8 HG12 VAL 8 6.304 -2.444 -12.084 73 1HG2 VAL 8 HG21 VAL 8 8.297 -0.072 -9.167 74 2HG2 VAL 8 HG23 VAL 8 9.079 -0.567 -10.668 75 3HG2 VAL 8 HG22 VAL 8 7.827 0.673 -10.695 76 H ALA 9 HN ALA 9 5.279 -3.206 -8.738 77 HA ALA 9 HA ALA 9 3.661 -4.323 -10.777 78 1HB ALA 9 HB1 ALA 9 3.965 -4.901 -7.835 79 2HB ALA 9 HB3 ALA 9 2.815 -5.810 -8.817 80 3HB ALA 9 HB2 ALA 9 4.533 -5.849 -9.209 81 H LEU 10 HN LEU 10 2.628 -2.638 -7.776 82 HA LEU 10 HA LEU 10 -0.172 -2.934 -8.256 83 1HB LEU 10 HB2 LEU 10 1.505 -1.000 -6.677 84 2HB LEU 10 HB1 LEU 10 -0.201 -0.636 -6.904 85 HG LEU 10 HG LEU 10 0.384 -1.933 -4.789 86 1HD1 LEU 10 HD11 LEU 10 -1.897 -1.952 -6.125 87 2HD1 LEU 10 HD13 LEU 10 -1.462 -3.628 -6.451 88 3HD1 LEU 10 HD12 LEU 10 -1.642 -3.068 -4.791 89 1HD2 LEU 10 HD23 LEU 10 2.035 -3.422 -6.146 90 2HD2 LEU 10 HD22 LEU 10 1.064 -4.179 -4.890 91 3HD2 LEU 10 HD21 LEU 10 0.603 -4.350 -6.582 92 H ILE 11 HN ILE 11 2.151 -0.456 -9.337 93 HA ILE 11 HA ILE 11 0.165 1.180 -10.658 94 HB ILE 11 HB ILE 11 3.143 0.931 -11.197 95 1HG1 ILE 11 HG12 ILE 11 1.658 3.000 -9.553 96 2HG1 ILE 11 HG11 ILE 11 2.445 1.588 -8.848 97 1HG2 ILE 11 HG23 ILE 11 1.068 2.990 -12.002 98 2HG2 ILE 11 HG22 ILE 11 2.807 3.266 -12.114 99 3HG2 ILE 11 HG21 ILE 11 2.054 1.992 -13.072 100 1HD1 ILE 11 HD11 ILE 11 3.914 3.530 -10.646 101 2HD1 ILE 11 HD13 ILE 11 3.835 3.735 -8.896 102 3HD1 ILE 11 HD12 ILE 11 4.603 2.304 -9.581 103 H ASP 12 HN ASP 12 2.337 -1.424 -11.762 104 HA ASP 12 HA ASP 12 1.619 -1.259 -14.528 105 1HB ASP 12 HB2 ASP 12 3.585 -2.531 -13.540 106 2HB ASP 12 HB1 ASP 12 2.434 -3.776 -13.053 107 H VAL 13 HN VAL 13 0.352 -3.307 -11.888 108 HA VAL 13 HA VAL 13 -1.600 -4.654 -13.493 109 HB VAL 13 HB VAL 13 -1.481 -4.057 -10.522 110 1HG1 VAL 13 HG11 VAL 13 -3.424 -5.756 -12.108 111 2HG1 VAL 13 HG13 VAL 13 -3.188 -5.926 -10.369 112 3HG1 VAL 13 HG12 VAL 13 -3.808 -4.414 -11.030 113 1HG2 VAL 13 HG22 VAL 13 -0.849 -6.483 -12.226 114 2HG2 VAL 13 HG21 VAL 13 0.283 -5.532 -11.267 115 3HG2 VAL 13 HG23 VAL 13 -0.936 -6.524 -10.465 116 H PHE 14 HN PHE 14 -1.727 -1.674 -11.564 117 HA PHE 14 HA PHE 14 -4.500 -1.109 -11.876 118 1HB PHE 14 HB2 PHE 14 -2.938 0.096 -10.336 119 2HB PHE 14 HB1 PHE 14 -2.196 0.863 -11.737 120 HD1 PHE 14 HD2 PHE 14 -3.412 2.547 -13.054 121 HD2 PHE 14 HD1 PHE 14 -5.173 0.715 -9.589 122 HE1 PHE 14 HE2 PHE 14 -5.159 4.310 -13.007 123 HE2 PHE 14 HE1 PHE 14 -6.916 2.479 -9.542 124 HZ PHE 14 HZ PHE 14 -6.910 4.277 -11.250 125 H HIS 15 HN HIS 15 -1.706 -0.027 -13.810 126 HA HIS 15 HA HIS 15 -3.289 1.343 -15.788 127 1HB HIS 15 HB2 HIS 15 -0.952 1.914 -15.418 128 2HB HIS 15 HB1 HIS 15 -0.452 0.286 -15.869 129 HD1 HIS 15 HD1 HIS 15 -2.427 3.156 -17.453 130 HD2 HIS 15 HD2 HIS 15 0.204 0.105 -18.534 131 HE1 HIS 15 HE1 HIS 15 -1.989 3.431 -19.936 132 HE2 HIS 15 HE2 HIS 15 -0.388 1.579 -20.601 133 H GLN 16 HN GLN 16 -1.756 -1.893 -15.772 134 HA GLN 16 HA GLN 16 -2.416 -2.579 -18.445 135 1HB GLN 16 HB2 GLN 16 -0.855 -3.877 -17.027 136 2HB GLN 16 HB1 GLN 16 -2.216 -4.423 -16.046 137 1HG GLN 16 HG2 GLN 16 -3.197 -5.577 -17.932 138 2HG GLN 16 HG1 GLN 16 -2.003 -4.891 -19.034 139 1HE2 GLN 16 HE22 GLN 16 -1.001 -8.103 -16.717 140 2HE2 GLN 16 HE21 GLN 16 -2.482 -7.308 -16.483 141 H TYR 17 HN TYR 17 -4.253 -3.239 -15.444 142 HA TYR 17 HA TYR 17 -6.449 -4.471 -16.855 143 1HB TYR 17 HB2 TYR 17 -5.952 -3.530 -14.054 144 2HB TYR 17 HB1 TYR 17 -7.629 -3.782 -14.535 145 HD1 TYR 17 HD1 TYR 17 -4.426 -5.561 -15.358 146 HD2 TYR 17 HD2 TYR 17 -8.395 -5.848 -13.737 147 HE1 TYR 17 HE1 TYR 17 -4.139 -8.009 -15.086 148 HE2 TYR 17 HE2 TYR 17 -8.107 -8.294 -13.465 149 HH TYR 17 HH TYR 17 -5.012 -9.875 -14.201 150 H SER 18 HN SER 18 -5.814 -1.141 -15.806 151 HA SER 18 HA SER 18 -8.427 -0.114 -16.230 152 1HB SER 18 HB2 SER 18 -6.492 1.113 -15.170 153 2HB SER 18 HB1 SER 18 -5.828 1.343 -16.785 154 HG SER 18 HG SER 18 -7.973 2.277 -17.272 155 H GLY 19 HN GLY 19 -5.745 -0.585 -18.519 156 1HA GLY 19 HA2 GLY 19 -7.275 0.574 -20.731 157 2HA GLY 19 HA1 GLY 19 -5.695 -0.190 -20.853 158 H ARG 20 HN ARG 20 -7.359 -2.468 -19.209 159 HA ARG 20 HA ARG 20 -7.655 -4.102 -21.568 160 1HB ARG 20 HB2 ARG 20 -8.274 -5.881 -20.141 161 2HB ARG 20 HB1 ARG 20 -7.113 -4.935 -19.225 162 1HG ARG 20 HG2 ARG 20 -8.641 -4.840 -17.538 163 2HG ARG 20 HG1 ARG 20 -9.626 -3.801 -18.550 164 1HD ARG 20 HD2 ARG 20 -9.746 -6.834 -18.478 165 2HD ARG 20 HD1 ARG 20 -10.909 -5.743 -17.727 166 HE ARG 20 HE ARG 20 -10.930 -4.971 -20.376 167 1HH1 ARG 20 HH21 ARG 20 -11.278 -7.931 -18.641 168 2HH1 ARG 20 HH22 ARG 20 -12.328 -8.648 -19.817 169 1HH2 ARG 20 HH11 ARG 20 -12.298 -5.893 -21.920 170 2HH2 ARG 20 HH12 ARG 20 -12.904 -7.496 -21.670 171 H GLU 21 HN GLU 21 -9.908 -2.124 -19.747 172 HA GLU 21 HA GLU 21 -12.166 -3.144 -21.434 173 1HB GLU 21 HB2 GLU 21 -12.513 -3.269 -18.999 174 2HB GLU 21 HB1 GLU 21 -12.206 -1.539 -18.861 175 1HG GLU 21 HG2 GLU 21 -14.157 -1.021 -20.197 176 2HG GLU 21 HG1 GLU 21 -14.415 -2.727 -20.564 177 H GLY 22 HN GLY 22 -12.063 -0.017 -19.821 178 1HA GLY 22 HA2 GLY 22 -12.609 1.286 -22.431 179 2HA GLY 22 HA1 GLY 22 -12.818 2.022 -20.841 180 H ASP 23 HN ASP 23 -11.599 3.876 -21.581 181 HA ASP 23 HA ASP 23 -8.851 3.581 -22.476 182 1HB ASP 23 HB2 ASP 23 -8.751 6.034 -22.231 183 2HB ASP 23 HB1 ASP 23 -10.216 5.551 -23.086 184 H LYS 24 HN LYS 24 -7.008 4.576 -21.177 185 HA LYS 24 HA LYS 24 -7.106 3.458 -18.456 186 1HB LYS 24 HB2 LYS 24 -4.664 4.956 -19.281 187 2HB LYS 24 HB1 LYS 24 -4.815 3.343 -18.592 188 1HG LYS 24 HG2 LYS 24 -4.122 2.767 -20.725 189 2HG LYS 24 HG1 LYS 24 -5.858 2.794 -21.011 190 1HD LYS 24 HD2 LYS 24 -5.423 5.358 -21.541 191 2HD LYS 24 HD1 LYS 24 -3.765 4.817 -21.789 192 1HE LYS 24 HE2 LYS 24 -6.250 3.962 -23.280 193 2HE LYS 24 HE1 LYS 24 -4.779 4.685 -23.930 194 1HZ LYS 24 HZ1 LYS 24 -3.999 2.393 -22.599 195 2HZ LYS 24 HZ3 LYS 24 -5.375 1.957 -23.491 196 3HZ LYS 24 HZ2 LYS 24 -4.036 2.647 -24.279 197 H HIS 25 HN HIS 25 -8.152 4.774 -16.988 198 HA HIS 25 HA HIS 25 -6.924 7.265 -16.219 199 1HB HIS 25 HB2 HIS 25 -8.637 8.827 -16.833 200 2HB HIS 25 HB1 HIS 25 -8.237 7.920 -18.291 201 HD1 HIS 25 HD1 HIS 25 -9.843 5.423 -18.087 202 HD2 HIS 25 HD2 HIS 25 -11.383 9.101 -16.865 203 HE1 HIS 25 HE1 HIS 25 -12.366 5.191 -18.123 204 HE2 HIS 25 HE2 HIS 25 -13.314 7.425 -17.383 205 H LYS 26 HN LYS 26 -10.016 5.487 -16.154 206 HA LYS 26 HA LYS 26 -9.910 5.503 -13.176 207 1HB LYS 26 HB2 LYS 26 -12.257 6.424 -14.864 208 2HB LYS 26 HB1 LYS 26 -12.396 5.991 -13.161 209 1HG LYS 26 HG2 LYS 26 -10.758 7.725 -12.568 210 2HG LYS 26 HG1 LYS 26 -10.564 8.139 -14.270 211 1HD LYS 26 HD2 LYS 26 -12.102 9.736 -13.310 212 2HD LYS 26 HD1 LYS 26 -13.030 8.660 -14.350 213 1HE LYS 26 HE2 LYS 26 -14.011 7.540 -12.534 214 2HE LYS 26 HE1 LYS 26 -12.745 8.039 -11.413 215 1HZ LYS 26 HZ3 LYS 26 -13.648 10.402 -12.073 216 2HZ LYS 26 HZ2 LYS 26 -15.068 9.523 -12.386 217 3HZ LYS 26 HZ1 LYS 26 -14.370 9.492 -10.836 218 H LEU 27 HN LEU 27 -11.247 3.765 -12.249 219 HA LEU 27 HA LEU 27 -11.702 1.543 -14.215 220 1HB LEU 27 HB2 LEU 27 -11.724 0.217 -11.889 221 2HB LEU 27 HB1 LEU 27 -10.217 0.592 -12.715 222 HG LEU 27 HG LEU 27 -11.294 2.635 -10.791 223 1HD1 LEU 27 HD12 LEU 27 -10.009 -0.002 -10.034 224 2HD1 LEU 27 HD11 LEU 27 -9.965 1.410 -8.977 225 3HD1 LEU 27 HD13 LEU 27 -11.512 0.685 -9.418 226 1HD2 LEU 27 HD21 LEU 27 -9.186 2.895 -12.227 227 2HD2 LEU 27 HD23 LEU 27 -8.967 3.148 -10.497 228 3HD2 LEU 27 HD22 LEU 27 -8.470 1.627 -11.236 229 H LYS 28 HN LYS 28 -13.699 0.596 -14.339 230 HA LYS 28 HA LYS 28 -15.934 2.003 -13.006 231 1HB LYS 28 HB2 LYS 28 -15.936 -0.243 -15.052 232 2HB LYS 28 HB1 LYS 28 -17.354 0.652 -14.514 233 1HG LYS 28 HG2 LYS 28 -14.957 1.983 -15.800 234 2HG LYS 28 HG1 LYS 28 -16.346 1.418 -16.723 235 1HD LYS 28 HD2 LYS 28 -17.774 2.854 -15.120 236 2HD LYS 28 HD1 LYS 28 -16.252 3.607 -14.640 237 1HE LYS 28 HE2 LYS 28 -17.291 3.443 -17.484 238 2HE LYS 28 HE1 LYS 28 -17.360 4.875 -16.457 239 1HZ LYS 28 HZ1 LYS 28 -14.762 3.594 -16.750 240 2HZ LYS 28 HZ3 LYS 28 -15.364 4.397 -18.116 241 3HZ LYS 28 HZ2 LYS 28 -15.156 5.243 -16.658 242 H LYS 29 HN LYS 29 -17.741 0.536 -12.145 243 HA LYS 29 HA LYS 29 -16.762 -1.046 -9.993 244 1HB LYS 29 HB2 LYS 29 -19.111 -1.774 -9.721 245 2HB LYS 29 HB1 LYS 29 -19.004 -0.033 -9.982 246 1HG LYS 29 HG2 LYS 29 -19.481 -0.397 -12.402 247 2HG LYS 29 HG1 LYS 29 -19.681 -2.121 -12.077 248 1HD LYS 29 HD2 LYS 29 -21.507 -1.623 -10.503 249 2HD LYS 29 HD1 LYS 29 -21.311 0.101 -10.813 250 1HE LYS 29 HE2 LYS 29 -21.877 -0.242 -13.179 251 2HE LYS 29 HE1 LYS 29 -22.031 -1.978 -12.902 252 1HZ LYS 29 HZ2 LYS 29 -23.569 -0.385 -11.072 253 2HZ LYS 29 HZ1 LYS 29 -24.036 -0.169 -12.691 254 3HZ LYS 29 HZ3 LYS 29 -24.042 -1.722 -12.007 255 H SER 30 HN SER 30 -17.648 -1.896 -13.289 256 HA SER 30 HA SER 30 -17.862 -4.712 -12.965 257 1HB SER 30 HB2 SER 30 -17.428 -4.853 -15.360 258 2HB SER 30 HB1 SER 30 -18.473 -3.471 -15.042 259 HG SER 30 HG SER 30 -15.865 -2.793 -14.846 260 H GLU 31 HN GLU 31 -15.009 -2.646 -13.490 261 HA GLU 31 HA GLU 31 -13.157 -4.829 -13.775 262 1HB GLU 31 HB2 GLU 31 -12.661 -1.983 -12.849 263 2HB GLU 31 HB1 GLU 31 -11.410 -3.132 -13.330 264 1HG GLU 31 HG2 GLU 31 -12.418 -3.296 -15.577 265 2HG GLU 31 HG1 GLU 31 -13.667 -2.146 -15.102 266 H LEU 32 HN LEU 32 -14.470 -3.140 -10.976 267 HA LEU 32 HA LEU 32 -12.587 -4.012 -9.030 268 1HB LEU 32 HB2 LEU 32 -15.053 -2.610 -9.065 269 2HB LEU 32 HB1 LEU 32 -15.331 -3.966 -7.987 270 HG LEU 32 HG LEU 32 -14.547 -2.071 -6.700 271 1HD1 LEU 32 HD11 LEU 32 -13.592 -4.535 -6.381 272 2HD1 LEU 32 HD13 LEU 32 -12.065 -3.746 -6.782 273 3HD1 LEU 32 HD12 LEU 32 -13.010 -3.192 -5.401 274 1HD2 LEU 32 HD22 LEU 32 -13.238 -1.162 -8.821 275 2HD2 LEU 32 HD21 LEU 32 -12.700 -0.757 -7.194 276 3HD2 LEU 32 HD23 LEU 32 -11.884 -2.031 -8.096 277 H LYS 33 HN LYS 33 -15.551 -5.559 -10.231 278 HA LYS 33 HA LYS 33 -15.532 -7.824 -8.517 279 1HB LYS 33 HB2 LYS 33 -17.409 -7.123 -10.007 280 2HB LYS 33 HB1 LYS 33 -16.476 -7.680 -11.393 281 1HG LYS 33 HG2 LYS 33 -16.438 -9.961 -10.462 282 2HG LYS 33 HG1 LYS 33 -17.360 -9.407 -9.063 283 1HD LYS 33 HD2 LYS 33 -19.211 -8.723 -10.544 284 2HD LYS 33 HD1 LYS 33 -18.297 -9.278 -11.946 285 1HE LYS 33 HE2 LYS 33 -19.852 -11.025 -11.339 286 2HE LYS 33 HE1 LYS 33 -18.232 -11.569 -10.900 287 1HZ LYS 33 HZ3 LYS 33 -19.983 -10.171 -8.972 288 2HZ LYS 33 HZ2 LYS 33 -20.056 -11.855 -9.184 289 3HZ LYS 33 HZ1 LYS 33 -18.616 -11.124 -8.656 290 H GLU 34 HN GLU 34 -14.039 -7.376 -11.731 291 HA GLU 34 HA GLU 34 -12.919 -10.033 -11.845 292 1HB GLU 34 HB2 GLU 34 -12.235 -7.468 -13.301 293 2HB GLU 34 HB1 GLU 34 -11.455 -9.014 -13.645 294 1HG GLU 34 HG2 GLU 34 -13.641 -10.020 -14.154 295 2HG GLU 34 HG1 GLU 34 -14.439 -8.489 -13.793 296 H LEU 35 HN LEU 35 -11.673 -6.910 -10.712 297 HA LEU 35 HA LEU 35 -8.964 -7.671 -10.356 298 1HB LEU 35 HB2 LEU 35 -9.821 -5.337 -10.190 299 2HB LEU 35 HB1 LEU 35 -10.611 -5.754 -8.675 300 HG LEU 35 HG LEU 35 -8.304 -6.418 -7.790 301 1HD1 LEU 35 HD11 LEU 35 -7.538 -5.132 -10.415 302 2HD1 LEU 35 HD13 LEU 35 -6.438 -5.134 -9.037 303 3HD1 LEU 35 HD12 LEU 35 -6.975 -6.658 -9.737 304 1HD2 LEU 35 HD21 LEU 35 -8.827 -3.546 -8.610 305 2HD2 LEU 35 HD23 LEU 35 -9.387 -4.331 -7.133 306 3HD2 LEU 35 HD22 LEU 35 -7.665 -4.046 -7.381 307 H ILE 36 HN ILE 36 -11.751 -8.009 -8.148 308 HA ILE 36 HA ILE 36 -10.218 -9.011 -5.934 309 HB ILE 36 HB ILE 36 -13.134 -9.392 -6.663 310 1HG1 ILE 36 HG12 ILE 36 -11.857 -7.563 -4.611 311 2HG1 ILE 36 HG11 ILE 36 -12.257 -7.041 -6.248 312 1HG2 ILE 36 HG21 ILE 36 -11.549 -10.089 -4.181 313 2HG2 ILE 36 HG23 ILE 36 -13.294 -9.842 -4.135 314 3HG2 ILE 36 HG22 ILE 36 -12.612 -11.134 -5.123 315 1HD1 ILE 36 HD12 ILE 36 -14.629 -7.808 -5.813 316 2HD1 ILE 36 HD11 ILE 36 -14.170 -8.053 -4.129 317 3HD1 ILE 36 HD13 ILE 36 -14.113 -6.437 -4.830 318 H ASN 37 HN ASN 37 -11.922 -10.665 -8.594 319 HA ASN 37 HA ASN 37 -11.432 -13.320 -7.598 320 1HB ASN 37 HB2 ASN 37 -13.152 -12.753 -9.331 321 2HB ASN 37 HB1 ASN 37 -11.842 -12.476 -10.479 322 1HD2 ASN 37 HD22 ASN 37 -12.233 -15.915 -11.304 323 2HD2 ASN 37 HD21 ASN 37 -12.464 -14.317 -11.828 324 H ASN 38 HN ASN 38 -9.598 -11.149 -9.690 325 HA ASN 38 HA ASN 38 -7.723 -13.017 -10.698 326 1HB ASN 38 HB2 ASN 38 -7.921 -10.714 -11.539 327 2HB ASN 38 HB1 ASN 38 -7.297 -10.097 -10.009 328 1HD2 ASN 38 HD22 ASN 38 -4.667 -12.207 -12.381 329 2HD2 ASN 38 HD21 ASN 38 -6.303 -12.660 -12.364 330 H GLU 39 HN GLU 39 -7.548 -11.054 -7.695 331 HA GLU 39 HA GLU 39 -5.152 -12.676 -6.887 332 1HB GLU 39 HB2 GLU 39 -5.099 -10.703 -5.094 333 2HB GLU 39 HB1 GLU 39 -4.468 -10.465 -6.722 334 1HG GLU 39 HG2 GLU 39 -6.491 -9.391 -7.445 335 2HG GLU 39 HG1 GLU 39 -7.325 -9.822 -5.954 336 H LEU 40 HN LEU 40 -7.049 -10.889 -4.580 337 HA LEU 40 HA LEU 40 -7.170 -12.890 -2.654 338 1HB LEU 40 HB2 LEU 40 -9.301 -10.795 -3.137 339 2HB LEU 40 HB1 LEU 40 -8.965 -11.615 -1.614 340 HG LEU 40 HG LEU 40 -7.031 -9.814 -3.103 341 1HD1 LEU 40 HD12 LEU 40 -9.083 -8.785 -1.906 342 2HD1 LEU 40 HD11 LEU 40 -8.299 -9.294 -0.411 343 3HD1 LEU 40 HD13 LEU 40 -7.493 -8.151 -1.485 344 1HD2 LEU 40 HD22 LEU 40 -6.813 -11.502 -0.610 345 2HD2 LEU 40 HD21 LEU 40 -5.654 -11.314 -1.927 346 3HD2 LEU 40 HD23 LEU 40 -5.868 -10.021 -0.750 347 H SER 41 HN SER 41 -7.729 -14.926 -3.435 348 HA SER 41 HA SER 41 -10.547 -15.273 -4.411 349 1HB SER 41 HB2 SER 41 -9.802 -17.410 -5.342 350 2HB SER 41 HB1 SER 41 -8.764 -16.121 -5.943 351 HG SER 41 HG SER 41 -7.795 -18.160 -5.015 352 H HIS 42 HN HIS 42 -8.065 -17.011 -2.512 353 HA HIS 42 HA HIS 42 -9.979 -18.560 -1.021 354 1HB HIS 42 HB2 HIS 42 -7.639 -19.268 -1.303 355 2HB HIS 42 HB1 HIS 42 -7.095 -17.867 -0.381 356 HD1 HIS 42 HD1 HIS 42 -9.455 -20.835 0.122 357 HD2 HIS 42 HD2 HIS 42 -6.864 -18.409 2.314 358 HE1 HIS 42 HE1 HIS 42 -9.423 -21.764 2.480 359 HE2 HIS 42 HE2 HIS 42 -7.842 -20.301 3.819 360 H PHE 43 HN PHE 43 -8.251 -15.521 -0.334 361 HA PHE 43 HA PHE 43 -9.033 -15.252 2.385 362 1HB PHE 43 HB2 PHE 43 -8.316 -13.249 0.239 363 2HB PHE 43 HB1 PHE 43 -8.775 -12.719 1.858 364 HD1 PHE 43 HD1 PHE 43 -7.485 -13.611 3.856 365 HD2 PHE 43 HD2 PHE 43 -6.146 -14.120 -0.194 366 HE1 PHE 43 HE1 PHE 43 -5.202 -14.126 4.676 367 HE2 PHE 43 HE2 PHE 43 -3.863 -14.635 0.626 368 HZ PHE 43 HZ PHE 43 -3.390 -14.639 3.060 369 H LEU 44 HN LEU 44 -10.720 -14.264 -0.595 370 HA LEU 44 HA LEU 44 -13.137 -13.615 1.077 371 1HB LEU 44 HB2 LEU 44 -12.091 -12.471 -1.513 372 2HB LEU 44 HB1 LEU 44 -13.806 -12.374 -1.140 373 HG LEU 44 HG LEU 44 -12.462 -10.346 -0.475 374 1HD1 LEU 44 HD11 LEU 44 -14.646 -11.246 0.683 375 2HD1 LEU 44 HD13 LEU 44 -13.568 -11.566 2.041 376 3HD1 LEU 44 HD12 LEU 44 -13.740 -9.929 1.419 377 1HD2 LEU 44 HD22 LEU 44 -10.512 -11.898 0.339 378 2HD2 LEU 44 HD21 LEU 44 -10.849 -10.404 1.208 379 3HD2 LEU 44 HD23 LEU 44 -11.419 -11.941 1.853 380 H GLU 45 HN GLU 45 -14.443 -15.397 1.008 381 HA GLU 45 HA GLU 45 -14.881 -16.720 -1.651 382 1HB GLU 45 HB2 GLU 45 -15.432 -18.780 -0.366 383 2HB GLU 45 HB1 GLU 45 -13.761 -18.271 -0.151 384 1HG GLU 45 HG2 GLU 45 -15.952 -17.478 1.780 385 2HG GLU 45 HG1 GLU 45 -15.014 -18.954 1.972 386 H GLU 46 HN GLU 46 -16.267 -14.796 0.719 387 HA GLU 46 HA GLU 46 -18.982 -15.907 0.513 388 1HB GLU 46 HB2 GLU 46 -17.784 -13.497 1.886 389 2HB GLU 46 HB1 GLU 46 -19.533 -13.679 1.749 390 1HG GLU 46 HG2 GLU 46 -18.910 -14.621 3.863 391 2HG GLU 46 HG1 GLU 46 -19.261 -15.982 2.801 392 H ILE 47 HN ILE 47 -17.057 -13.884 -1.429 393 HA ILE 47 HA ILE 47 -19.240 -12.171 -2.356 394 HB ILE 47 HB ILE 47 -16.485 -12.696 -3.516 395 1HG1 ILE 47 HG12 ILE 47 -17.544 -10.330 -1.940 396 2HG1 ILE 47 HG11 ILE 47 -16.599 -11.641 -1.233 397 1HG2 ILE 47 HG22 ILE 47 -18.544 -10.563 -4.177 398 2HG2 ILE 47 HG21 ILE 47 -16.891 -10.597 -4.787 399 3HG2 ILE 47 HG23 ILE 47 -18.024 -11.864 -5.248 400 1HD1 ILE 47 HD12 ILE 47 -14.783 -11.148 -2.889 401 2HD1 ILE 47 HD11 ILE 47 -15.709 -9.748 -3.427 402 3HD1 ILE 47 HD13 ILE 47 -15.092 -9.817 -1.776 403 H LYS 48 HN LYS 48 -20.857 -13.590 -3.059 404 HA LYS 48 HA LYS 48 -20.256 -15.072 -5.600 405 1HB LYS 48 HB2 LYS 48 -22.238 -15.833 -3.426 406 2HB LYS 48 HB1 LYS 48 -22.032 -16.675 -4.963 407 1HG LYS 48 HG2 LYS 48 -19.685 -17.177 -4.376 408 2HG LYS 48 HG1 LYS 48 -19.894 -16.339 -2.836 409 1HD LYS 48 HD2 LYS 48 -21.668 -17.931 -2.203 410 2HD LYS 48 HD1 LYS 48 -21.461 -18.775 -3.739 411 1HE LYS 48 HE2 LYS 48 -19.080 -19.218 -3.131 412 2HE LYS 48 HE1 LYS 48 -19.375 -18.477 -1.557 413 1HZ LYS 48 HZ3 LYS 48 -21.400 -20.241 -1.762 414 2HZ LYS 48 HZ2 LYS 48 -20.143 -21.074 -2.543 415 3HZ LYS 48 HZ1 LYS 48 -19.943 -20.534 -0.945 416 H GLU 49 HN GLU 49 -22.370 -13.027 -3.724 417 HA GLU 49 HA GLU 49 -24.194 -12.650 -6.066 418 1HB GLU 49 HB2 GLU 49 -24.474 -11.900 -3.135 419 2HB GLU 49 HB1 GLU 49 -25.654 -11.498 -4.383 420 1HG GLU 49 HG2 GLU 49 -24.752 -14.337 -3.866 421 2HG GLU 49 HG1 GLU 49 -26.132 -13.617 -3.035 422 H GLN 50 HN GLN 50 -24.235 -10.660 -7.079 423 HA GLN 50 HA GLN 50 -22.051 -8.858 -6.763 424 1HB GLN 50 HB2 GLN 50 -23.420 -7.317 -8.201 425 2HB GLN 50 HB1 GLN 50 -23.259 -8.942 -8.863 426 1HG GLN 50 HG2 GLN 50 -25.564 -8.393 -9.110 427 2HG GLN 50 HG1 GLN 50 -25.497 -9.467 -7.716 428 1HE2 GLN 50 HE22 GLN 50 -27.392 -6.970 -6.047 429 2HE2 GLN 50 HE21 GLN 50 -27.403 -8.536 -6.701 430 H GLU 51 HN GLU 51 -25.059 -9.118 -5.077 431 HA GLU 51 HA GLU 51 -25.427 -6.435 -4.232 432 1HB GLU 51 HB2 GLU 51 -27.097 -8.219 -3.877 433 2HB GLU 51 HB1 GLU 51 -26.025 -8.988 -2.707 434 1HG GLU 51 HG2 GLU 51 -26.127 -6.988 -1.272 435 2HG GLU 51 HG1 GLU 51 -27.165 -6.187 -2.452 436 H VAL 52 HN VAL 52 -23.426 -9.027 -2.798 437 HA VAL 52 HA VAL 52 -22.650 -7.569 -0.475 438 HB VAL 52 HB VAL 52 -21.212 -9.722 -2.052 439 1HG1 VAL 52 HG12 VAL 52 -20.456 -8.304 0.512 440 2HG1 VAL 52 HG11 VAL 52 -19.886 -9.935 0.154 441 3HG1 VAL 52 HG13 VAL 52 -19.454 -8.595 -0.909 442 1HG2 VAL 52 HG21 VAL 52 -23.318 -10.367 -0.920 443 2HG2 VAL 52 HG23 VAL 52 -21.926 -11.122 -0.143 444 3HG2 VAL 52 HG22 VAL 52 -22.695 -9.720 0.598 445 H VAL 53 HN VAL 53 -21.243 -7.671 -3.741 446 HA VAL 53 HA VAL 53 -18.974 -6.048 -3.188 447 HB VAL 53 HB VAL 53 -20.604 -6.404 -5.718 448 1HG1 VAL 53 HG13 VAL 53 -17.998 -4.943 -5.226 449 2HG1 VAL 53 HG12 VAL 53 -18.484 -5.515 -6.822 450 3HG1 VAL 53 HG11 VAL 53 -19.463 -4.314 -5.981 451 1HG2 VAL 53 HG23 VAL 53 -18.015 -7.588 -4.673 452 2HG2 VAL 53 HG22 VAL 53 -19.521 -8.443 -5.007 453 3HG2 VAL 53 HG21 VAL 53 -18.571 -7.779 -6.335 454 H ASP 54 HN ASP 54 -22.291 -5.145 -4.170 455 HA ASP 54 HA ASP 54 -21.787 -2.339 -4.389 456 1HB ASP 54 HB2 ASP 54 -24.303 -3.893 -3.744 457 2HB ASP 54 HB1 ASP 54 -24.288 -2.141 -3.949 458 H LYS 55 HN LYS 55 -22.805 -4.333 -1.618 459 HA LYS 55 HA LYS 55 -23.114 -2.125 0.199 460 1HB LYS 55 HB2 LYS 55 -23.996 -4.466 0.555 461 2HB LYS 55 HB1 LYS 55 -22.341 -4.973 0.895 462 1HG LYS 55 HG2 LYS 55 -22.217 -3.340 2.740 463 2HG LYS 55 HG1 LYS 55 -23.874 -2.835 2.405 464 1HD LYS 55 HD2 LYS 55 -24.655 -5.147 2.846 465 2HD LYS 55 HD1 LYS 55 -22.998 -5.620 3.228 466 1HE LYS 55 HE2 LYS 55 -24.612 -3.509 4.691 467 2HE LYS 55 HE1 LYS 55 -24.252 -5.128 5.288 468 1HZ LYS 55 HZ2 LYS 55 -21.822 -4.437 4.852 469 2HZ LYS 55 HZ1 LYS 55 -22.431 -2.850 4.894 470 3HZ LYS 55 HZ3 LYS 55 -22.606 -3.860 6.246 471 H VAL 56 HN VAL 56 -20.411 -4.328 -0.486 472 HA VAL 56 HA VAL 56 -18.606 -3.127 1.419 473 HB VAL 56 HB VAL 56 -18.175 -4.880 -1.015 474 1HG1 VAL 56 HG13 VAL 56 -16.198 -3.678 0.925 475 2HG1 VAL 56 HG12 VAL 56 -15.875 -5.242 0.175 476 3HG1 VAL 56 HG11 VAL 56 -16.086 -3.810 -0.831 477 1HG2 VAL 56 HG22 VAL 56 -19.361 -5.825 0.986 478 2HG2 VAL 56 HG21 VAL 56 -17.827 -6.627 0.643 479 3HG2 VAL 56 HG23 VAL 56 -17.935 -5.453 1.955 480 H MET 57 HN MET 57 -19.147 -2.675 -2.062 481 HA MET 57 HA MET 57 -16.969 -0.926 -2.562 482 1HB MET 57 HB2 MET 57 -18.340 -1.962 -4.334 483 2HB MET 57 HB1 MET 57 -19.703 -0.946 -3.866 484 1HG MET 57 HG2 MET 57 -18.593 1.042 -4.543 485 2HG MET 57 HG1 MET 57 -17.030 0.228 -4.644 486 1HE MET 57 HE3 MET 57 -17.475 1.920 -6.589 487 2HE MET 57 HE2 MET 57 -16.456 0.761 -7.437 488 3HE MET 57 HE1 MET 57 -17.925 1.360 -8.206 489 H GLU 58 HN GLU 58 -20.288 -0.183 -1.488 490 HA GLU 58 HA GLU 58 -19.918 2.674 -1.560 491 1HB GLU 58 HB2 GLU 58 -21.897 0.906 -0.107 492 2HB GLU 58 HB1 GLU 58 -21.969 2.670 -0.067 493 1HG GLU 58 HG2 GLU 58 -22.156 2.745 -2.507 494 2HG GLU 58 HG1 GLU 58 -22.005 0.990 -2.593 495 H THR 59 HN THR 59 -19.554 0.263 1.031 496 HA THR 59 HA THR 59 -19.122 2.127 3.150 497 HB THR 59 HB THR 59 -18.018 -0.674 2.809 498 HG1 THR 59 HG1 THR 59 -19.918 -0.820 4.437 499 1HG2 THR 59 HG23 THR 59 -18.276 1.152 5.205 500 2HG2 THR 59 HG22 THR 59 -18.002 -0.585 5.338 501 3HG2 THR 59 HG21 THR 59 -16.802 0.438 4.551 502 H LEU 60 HN LEU 60 -16.841 0.574 0.906 503 HA LEU 60 HA LEU 60 -14.509 1.704 2.166 504 1HB LEU 60 HB2 LEU 60 -14.843 -0.325 0.445 505 2HB LEU 60 HB1 LEU 60 -14.448 0.922 -0.729 506 HG LEU 60 HG LEU 60 -12.396 -0.183 -0.079 507 1HD1 LEU 60 HD13 LEU 60 -12.543 2.403 -0.261 508 2HD1 LEU 60 HD12 LEU 60 -12.348 2.387 1.493 509 3HD1 LEU 60 HD11 LEU 60 -11.095 1.699 0.462 510 1HD2 LEU 60 HD21 LEU 60 -13.539 -0.732 2.318 511 2HD2 LEU 60 HD23 LEU 60 -11.797 -0.766 2.066 512 3HD2 LEU 60 HD22 LEU 60 -12.552 0.649 2.794 513 H ASP 61 HN ASP 61 -16.481 2.741 -0.626 514 HA ASP 61 HA ASP 61 -14.690 4.912 -1.305 515 1HB ASP 61 HB2 ASP 61 -17.597 4.396 -1.982 516 2HB ASP 61 HB1 ASP 61 -16.677 5.760 -2.618 517 H GLU 62 HN GLU 62 -14.388 6.700 -0.095 518 HA GLU 62 HA GLU 62 -16.095 7.371 2.133 519 1HB GLU 62 HB2 GLU 62 -13.956 9.016 0.745 520 2HB GLU 62 HB1 GLU 62 -14.681 9.399 2.306 521 1HG GLU 62 HG2 GLU 62 -13.137 6.865 1.674 522 2HG GLU 62 HG1 GLU 62 -12.502 8.246 2.568 523 H ASP 63 HN ASP 63 -15.728 8.697 -1.148 524 HA ASP 63 HA ASP 63 -17.818 10.715 -0.608 525 1HB ASP 63 HB2 ASP 63 -17.336 11.485 -2.897 526 2HB ASP 63 HB1 ASP 63 -15.851 11.335 -1.956 527 H GLY 64 HN GLY 64 -17.756 7.487 -1.609 528 1HA GLY 64 HA2 GLY 64 -19.305 6.140 -2.774 529 2HA GLY 64 HA1 GLY 64 -20.482 7.139 -1.923 530 H ASP 65 HN ASP 65 -18.214 7.804 -4.619 531 HA ASP 65 HA ASP 65 -20.362 9.294 -6.000 532 1HB ASP 65 HB2 ASP 65 -18.576 9.894 -7.601 533 2HB ASP 65 HB1 ASP 65 -18.092 10.244 -5.941 534 H GLY 66 HN GLY 66 -19.470 6.096 -5.852 535 1HA GLY 66 HA2 GLY 66 -20.318 4.306 -7.157 536 2HA GLY 66 HA1 GLY 66 -20.957 5.486 -8.300 537 H GLU 67 HN GLU 67 -17.871 6.445 -7.879 538 HA GLU 67 HA GLU 67 -16.805 4.688 -10.074 539 1HB GLU 67 HB2 GLU 67 -16.266 7.639 -9.598 540 2HB GLU 67 HB1 GLU 67 -15.565 6.657 -10.883 541 1HG GLU 67 HG2 GLU 67 -18.526 7.206 -10.515 542 2HG GLU 67 HG1 GLU 67 -17.484 7.979 -11.709 543 H CYS 68 HN CYS 68 -14.563 4.177 -9.922 544 HA CYS 68 HA CYS 68 -13.447 4.484 -7.167 545 1HB CYS 68 HB2 CYS 68 -13.132 2.475 -9.366 546 2HB CYS 68 HB1 CYS 68 -11.790 2.694 -8.240 547 HG CYS 68 HG CYS 68 -13.112 1.599 -6.442 548 H ASP 69 HN ASP 69 -12.142 6.215 -6.987 549 HA ASP 69 HA ASP 69 -10.607 7.218 -9.307 550 1HB ASP 69 HB2 ASP 69 -11.071 8.215 -6.489 551 2HB ASP 69 HB1 ASP 69 -9.890 8.969 -7.559 552 H PHE 70 HN PHE 70 -8.231 7.699 -8.957 553 HA PHE 70 HA PHE 70 -6.816 5.337 -8.233 554 1HB PHE 70 HB2 PHE 70 -5.925 7.134 -9.734 555 2HB PHE 70 HB1 PHE 70 -5.722 8.166 -8.318 556 HD1 PHE 70 HD1 PHE 70 -4.027 7.655 -6.610 557 HD2 PHE 70 HD2 PHE 70 -4.528 5.179 -10.084 558 HE1 PHE 70 HE1 PHE 70 -1.849 6.558 -6.147 559 HE2 PHE 70 HE2 PHE 70 -2.355 4.086 -9.622 560 HZ PHE 70 HZ PHE 70 -1.018 4.773 -7.658 561 H GLN 71 HN GLN 71 -7.469 8.322 -6.435 562 HA GLN 71 HA GLN 71 -5.874 7.755 -4.145 563 1HB GLN 71 HB2 GLN 71 -8.463 9.314 -4.439 564 2HB GLN 71 HB1 GLN 71 -7.492 9.296 -2.965 565 1HG GLN 71 HG2 GLN 71 -5.605 10.272 -4.106 566 2HG GLN 71 HG1 GLN 71 -6.389 10.086 -5.673 567 1HE2 GLN 71 HE22 GLN 71 -8.419 12.978 -5.308 568 2HE2 GLN 71 HE21 GLN 71 -8.155 11.560 -6.204 569 H GLU 72 HN GLU 72 -9.199 6.849 -4.990 570 HA GLU 72 HA GLU 72 -9.778 5.546 -2.477 571 1HB GLU 72 HB2 GLU 72 -10.999 5.285 -5.237 572 2HB GLU 72 HB1 GLU 72 -11.632 4.463 -3.810 573 1HG GLU 72 HG2 GLU 72 -11.978 6.605 -2.685 574 2HG GLU 72 HG1 GLU 72 -11.267 7.462 -4.054 575 H PHE 73 HN PHE 73 -8.436 4.473 -5.568 576 HA PHE 73 HA PHE 73 -8.514 1.669 -5.111 577 1HB PHE 73 HB2 PHE 73 -7.947 2.625 -7.297 578 2HB PHE 73 HB1 PHE 73 -6.478 3.333 -6.627 579 HD1 PHE 73 HD2 PHE 73 -4.573 1.936 -5.997 580 HD2 PHE 73 HD1 PHE 73 -8.116 0.223 -7.717 581 HE1 PHE 73 HE2 PHE 73 -3.346 -0.172 -6.423 582 HE2 PHE 73 HE1 PHE 73 -6.886 -1.891 -8.142 583 HZ PHE 73 HZ PHE 73 -4.500 -2.087 -7.495 584 H MET 74 HN MET 74 -5.934 4.032 -4.395 585 HA MET 74 HA MET 74 -4.129 2.188 -3.191 586 1HB MET 74 HB2 MET 74 -3.891 4.748 -3.846 587 2HB MET 74 HB1 MET 74 -4.393 5.021 -2.181 588 1HG MET 74 HG2 MET 74 -2.000 3.414 -3.116 589 2HG MET 74 HG1 MET 74 -1.970 4.954 -2.262 590 1HE MET 74 HE3 MET 74 -2.017 1.275 -2.179 591 2HE MET 74 HE2 MET 74 -0.577 1.958 -1.429 592 3HE MET 74 HE1 MET 74 -1.663 0.949 -0.477 593 H ALA 75 HN ALA 75 -6.818 4.081 -1.871 594 HA ALA 75 HA ALA 75 -6.474 3.452 0.882 595 1HB ALA 75 HB1 ALA 75 -8.054 5.170 -0.144 596 2HB ALA 75 HB3 ALA 75 -9.141 3.825 -0.489 597 3HB ALA 75 HB2 ALA 75 -8.719 4.211 1.179 598 H PHE 76 HN PHE 76 -8.118 1.683 -1.714 599 HA PHE 76 HA PHE 76 -9.454 -0.232 -0.098 600 1HB PHE 76 HB2 PHE 76 -9.763 0.082 -2.576 601 2HB PHE 76 HB1 PHE 76 -8.213 -0.721 -2.822 602 HD1 PHE 76 HD1 PHE 76 -7.911 -3.106 -2.035 603 HD2 PHE 76 HD2 PHE 76 -11.739 -1.159 -2.102 604 HE1 PHE 76 HE1 PHE 76 -9.037 -5.313 -1.890 605 HE2 PHE 76 HE2 PHE 76 -12.864 -3.362 -1.953 606 HZ PHE 76 HZ PHE 76 -11.514 -5.440 -1.848 607 H VAL 77 HN VAL 77 -6.172 -0.309 -1.507 608 HA VAL 77 HA VAL 77 -5.504 -2.903 -0.478 609 HB VAL 77 HB VAL 77 -3.757 -0.540 -1.227 610 1HG1 VAL 77 HG11 VAL 77 -3.084 -3.372 -0.422 611 2HG1 VAL 77 HG13 VAL 77 -2.004 -2.424 -1.446 612 3HG1 VAL 77 HG12 VAL 77 -2.392 -1.866 0.181 613 1HG2 VAL 77 HG21 VAL 77 -5.236 -1.683 -2.985 614 2HG2 VAL 77 HG23 VAL 77 -3.510 -1.618 -3.341 615 3HG2 VAL 77 HG22 VAL 77 -4.230 -3.114 -2.748 616 H SER 78 HN SER 78 -5.097 0.380 0.831 617 HA SER 78 HA SER 78 -3.564 -0.350 3.125 618 1HB SER 78 HB2 SER 78 -3.861 1.984 2.313 619 2HB SER 78 HB1 SER 78 -5.536 1.936 2.856 620 HG SER 78 HG SER 78 -3.193 2.180 4.291 621 H MET 79 HN MET 79 -7.099 -0.154 2.662 622 HA MET 79 HA MET 79 -7.815 -0.560 5.383 623 1HB MET 79 HB2 MET 79 -9.404 0.096 3.569 624 2HB MET 79 HB1 MET 79 -9.319 -1.550 2.944 625 1HG MET 79 HG2 MET 79 -11.282 -1.398 4.348 626 2HG MET 79 HG1 MET 79 -10.090 -2.364 5.210 627 1HE MET 79 HE3 MET 79 -11.809 -1.960 7.000 628 2HE MET 79 HE2 MET 79 -11.873 -0.549 8.055 629 3HE MET 79 HE1 MET 79 -12.729 -0.529 6.514 630 H VAL 80 HN VAL 80 -7.197 -2.955 2.800 631 HA VAL 80 HA VAL 80 -7.798 -5.241 4.430 632 HB VAL 80 HB VAL 80 -6.048 -4.914 1.975 633 1HG1 VAL 80 HG13 VAL 80 -6.695 -7.358 3.632 634 2HG1 VAL 80 HG12 VAL 80 -6.366 -7.501 1.905 635 3HG1 VAL 80 HG11 VAL 80 -5.136 -6.845 2.984 636 1HG2 VAL 80 HG21 VAL 80 -8.833 -6.007 2.480 637 2HG2 VAL 80 HG23 VAL 80 -8.404 -4.585 1.528 638 3HG2 VAL 80 HG22 VAL 80 -7.975 -6.196 0.952 639 H THR 81 HN THR 81 -4.688 -3.668 3.647 640 HA THR 81 HA THR 81 -3.162 -5.410 5.364 641 HB THR 81 HB THR 81 -2.288 -2.623 4.594 642 HG1 THR 81 HG1 THR 81 -2.305 -4.939 2.957 643 1HG2 THR 81 HG22 THR 81 -0.961 -4.505 5.982 644 2HG2 THR 81 HG21 THR 81 -0.614 -5.090 4.356 645 3HG2 THR 81 HG23 THR 81 -0.137 -3.460 4.827 646 H THR 82 HN THR 82 -4.609 -2.192 5.814 647 HA THR 82 HA THR 82 -3.446 -1.593 8.334 648 HB THR 82 HB THR 82 -6.197 -0.853 7.295 649 HG1 THR 82 HG1 THR 82 -3.896 -0.279 6.323 650 1HG2 THR 82 HG22 THR 82 -4.481 0.248 9.527 651 2HG2 THR 82 HG21 THR 82 -5.841 1.130 8.831 652 3HG2 THR 82 HG23 THR 82 -6.114 -0.409 9.648 653 H ALA 83 HN ALA 83 -6.405 -3.420 7.558 654 HA ALA 83 HA ALA 83 -7.183 -3.783 10.314 655 1HB ALA 83 HB1 ALA 83 -7.929 -5.184 7.745 656 2HB ALA 83 HB3 ALA 83 -8.582 -5.688 9.305 657 3HB ALA 83 HB2 ALA 83 -8.901 -4.063 8.699 658 H CYS 84 HN CYS 84 -5.301 -5.764 8.037 659 HA CYS 84 HA CYS 84 -5.041 -7.951 9.948 660 1HB CYS 84 HB2 CYS 84 -3.579 -7.402 7.354 661 2HB CYS 84 HB1 CYS 84 -3.499 -8.908 8.268 662 HG CYS 84 HG CYS 84 -5.979 -7.902 6.690 663 H HIS 85 HN HIS 85 -3.438 -8.307 11.377 664 HA HIS 85 HA HIS 85 -1.412 -6.215 11.810 665 1HB HIS 85 HB2 HIS 85 -1.394 -8.815 13.330 666 2HB HIS 85 HB1 HIS 85 -1.110 -7.175 13.916 667 HD1 HIS 85 HD1 HIS 85 -3.611 -5.712 13.131 668 HD2 HIS 85 HD2 HIS 85 -3.710 -9.617 14.595 669 HE1 HIS 85 HE1 HIS 85 -5.954 -6.086 14.019 670 HE2 HIS 85 HE2 HIS 85 -6.028 -8.462 14.907 671 H GLU 86 HN GLU 86 0.515 -8.363 12.790 672 HA GLU 86 HA GLU 86 2.085 -8.596 10.409 673 1HB GLU 86 HB2 GLU 86 2.118 -10.180 13.000 674 2HB GLU 86 HB1 GLU 86 3.328 -10.372 11.729 675 1HG GLU 86 HG2 GLU 86 4.227 -8.811 13.325 676 2HG GLU 86 HG1 GLU 86 3.757 -7.880 11.902 677 H PHE 87 HN PHE 87 -0.236 -10.729 12.011 678 HA PHE 87 HA PHE 87 -1.210 -12.754 11.301 679 1HB PHE 87 HB2 PHE 87 -2.252 -10.876 9.920 680 2HB PHE 87 HB1 PHE 87 -1.183 -11.375 8.610 681 HD1 PHE 87 HD1 PHE 87 -3.863 -12.572 10.910 682 HD2 PHE 87 HD2 PHE 87 -1.678 -13.284 7.279 683 HE1 PHE 87 HE1 PHE 87 -5.452 -14.378 10.308 684 HE2 PHE 87 HE2 PHE 87 -3.267 -15.092 6.679 685 HZ PHE 87 HZ PHE 87 -5.153 -15.638 8.193 686 H PHE 88 HN PHE 88 1.152 -13.666 11.557 687 HA PHE 88 HA PHE 88 1.695 -15.183 9.080 688 1HB PHE 88 HB2 PHE 88 3.938 -14.542 8.817 689 2HB PHE 88 HB1 PHE 88 3.135 -13.018 9.174 690 HD1 PHE 88 HD1 PHE 88 2.856 -12.661 11.897 691 HD2 PHE 88 HD2 PHE 88 5.973 -14.858 9.915 692 HE1 PHE 88 HE1 PHE 88 4.342 -12.327 13.856 693 HE2 PHE 88 HE2 PHE 88 7.454 -14.525 11.873 694 HZ PHE 88 HZ PHE 88 6.640 -13.258 13.843 695 H GLU 89 HN GLU 89 1.684 -17.242 9.751 696 HA GLU 89 HA GLU 89 2.234 -17.924 12.552 697 1HB GLU 89 HB2 GLU 89 1.505 -19.617 10.142 698 2HB GLU 89 HB1 GLU 89 1.677 -20.245 11.783 699 1HG GLU 89 HG2 GLU 89 -0.078 -18.705 12.567 700 2HG GLU 89 HG1 GLU 89 -0.253 -18.066 10.932 701 H HIS 90 HN HIS 90 3.308 -20.600 11.158 702 HA HIS 90 HA HIS 90 5.461 -21.540 11.053 703 1HB HIS 90 HB2 HIS 90 5.803 -18.965 9.500 704 2HB HIS 90 HB1 HIS 90 7.042 -20.218 9.580 705 HD1 HIS 90 HD1 HIS 90 6.575 -22.453 8.355 706 HD2 HIS 90 HD2 HIS 90 3.481 -19.680 7.985 707 HE1 HIS 90 HE1 HIS 90 5.023 -23.346 6.560 708 HE2 HIS 90 HE2 HIS 90 3.135 -21.667 6.331 709 H GLU 91 HN GLU 91 5.980 -21.441 13.269 710 HA GLU 91 HA GLU 91 7.246 -20.823 15.135 711 1HB GLU 91 HB2 GLU 91 9.066 -20.834 13.364 712 2HB GLU 91 HB1 GLU 91 8.825 -19.095 13.212 713 1HG GLU 91 HG2 GLU 91 10.625 -19.413 14.773 714 2HG GLU 91 HG1 GLU 91 9.213 -18.917 15.707 715 1H MET 0 HT3 MET 0 -2.927 -16.724 -8.516 716 2H MET 0 HT2 MET 0 -1.923 -17.995 -9.026 717 3H MET 0 HT1 MET 0 -2.677 -18.063 -7.506 718 HA MET 0 HA MET 0 -1.368 -16.258 -6.687 719 1HB MET 0 HB2 MET 0 -0.419 -18.598 -6.697 720 2HB MET 0 HB1 MET 0 0.432 -18.181 -8.185 721 1HG MET 0 HG2 MET 0 1.650 -16.412 -7.066 722 2HG MET 0 HG1 MET 0 0.694 -16.622 -5.600 723 1HE MET 0 HE1 MET 0 2.905 -18.419 -8.189 724 2HE MET 0 HE3 MET 0 3.935 -17.327 -7.253 725 3HE MET 0 HE2 MET 0 4.187 -19.068 -7.171 726 H SER 1 HN SER 1 -0.649 -14.267 -7.233 727 HA SER 1 HA SER 1 0.530 -13.843 -9.964 728 1HB SER 1 HB2 SER 1 -1.758 -12.914 -9.876 729 2HB SER 1 HB1 SER 1 -1.328 -11.984 -8.443 730 HG SER 1 HG SER 1 0.525 -11.471 -10.210 731 H GLU 2 HN GLU 2 1.912 -11.860 -10.020 732 HA GLU 2 HA GLU 2 3.880 -11.911 -7.968 733 1HB GLU 2 HB2 GLU 2 3.253 -9.770 -10.027 734 2HB GLU 2 HB1 GLU 2 4.704 -9.792 -9.027 735 1HG GLU 2 HG2 GLU 2 5.371 -10.828 -11.056 736 2HG GLU 2 HG1 GLU 2 5.097 -12.169 -9.944 737 H LEU 3 HN LEU 3 1.112 -9.752 -8.502 738 HA LEU 3 HA LEU 3 1.738 -7.924 -6.411 739 1HB LEU 3 HB2 LEU 3 -0.356 -6.973 -6.794 740 2HB LEU 3 HB1 LEU 3 -0.025 -7.771 -8.326 741 HG LEU 3 HG LEU 3 -1.298 -9.810 -7.086 742 1HD1 LEU 3 HD11 LEU 3 -1.587 -8.095 -5.070 743 2HD1 LEU 3 HD13 LEU 3 -2.927 -7.499 -6.046 744 3HD1 LEU 3 HD12 LEU 3 -2.901 -9.180 -5.512 745 1HD2 LEU 3 HD22 LEU 3 -2.635 -7.443 -8.436 746 2HD2 LEU 3 HD21 LEU 3 -1.954 -8.858 -9.241 747 3HD2 LEU 3 HD23 LEU 3 -3.379 -9.026 -8.215 748 H GLU 4 HN GLU 4 0.144 -11.079 -6.317 749 HA GLU 4 HA GLU 4 -0.974 -10.837 -3.706 750 1HB GLU 4 HB2 GLU 4 -0.699 -12.873 -5.659 751 2HB GLU 4 HB1 GLU 4 0.069 -13.532 -4.219 752 1HG GLU 4 HG2 GLU 4 -1.979 -12.990 -2.910 753 2HG GLU 4 HG1 GLU 4 -2.744 -12.400 -4.387 754 H LYS 5 HN LYS 5 2.271 -11.752 -4.796 755 HA LYS 5 HA LYS 5 3.275 -12.338 -2.152 756 1HB LYS 5 HB2 LYS 5 4.650 -11.672 -4.765 757 2HB LYS 5 HB1 LYS 5 5.534 -12.048 -3.285 758 1HG LYS 5 HG2 LYS 5 4.376 -14.223 -3.139 759 2HG LYS 5 HG1 LYS 5 3.493 -13.852 -4.621 760 1HD LYS 5 HD2 LYS 5 5.457 -13.920 -5.944 761 2HD LYS 5 HD1 LYS 5 6.512 -13.830 -4.534 762 1HE LYS 5 HE2 LYS 5 5.984 -16.167 -5.780 763 2HE LYS 5 HE1 LYS 5 6.282 -16.077 -4.044 764 1HZ LYS 5 HZ3 LYS 5 3.553 -15.716 -5.085 765 2HZ LYS 5 HZ2 LYS 5 4.193 -17.281 -4.912 766 3HZ LYS 5 HZ1 LYS 5 4.058 -16.262 -3.559 767 H ALA 6 HN ALA 6 2.868 -9.391 -4.007 768 HA ALA 6 HA ALA 6 4.736 -7.748 -2.633 769 1HB ALA 6 HB1 ALA 6 2.098 -7.111 -3.961 770 2HB ALA 6 HB3 ALA 6 3.107 -5.867 -3.239 771 3HB ALA 6 HB2 ALA 6 3.719 -6.830 -4.582 772 H MET 7 HN MET 7 1.328 -8.525 -1.824 773 HA MET 7 HA MET 7 1.164 -6.808 0.454 774 1HB MET 7 HB2 MET 7 -0.180 -9.467 -0.117 775 2HB MET 7 HB1 MET 7 -0.572 -8.459 1.275 776 1HG MET 7 HG2 MET 7 -1.182 -6.605 -0.236 777 2HG MET 7 HG1 MET 7 -0.791 -7.614 -1.630 778 1HE MET 7 HE2 MET 7 -3.116 -6.181 -1.546 779 2HE MET 7 HE1 MET 7 -3.603 -7.473 -2.641 780 3HE MET 7 HE3 MET 7 -4.653 -7.006 -1.297 781 H VAL 8 HN VAL 8 2.351 -10.124 0.065 782 HA VAL 8 HA VAL 8 2.890 -10.552 2.870 783 HB VAL 8 HB VAL 8 3.992 -11.893 0.384 784 1HG1 VAL 8 HG11 VAL 8 4.355 -12.506 3.327 785 2HG1 VAL 8 HG13 VAL 8 4.587 -13.724 2.072 786 3HG1 VAL 8 HG12 VAL 8 5.606 -12.286 2.104 787 1HG2 VAL 8 HG21 VAL 8 1.872 -12.693 2.405 788 2HG2 VAL 8 HG23 VAL 8 1.583 -12.206 0.735 789 3HG2 VAL 8 HG22 VAL 8 2.440 -13.708 1.079 790 H ALA 9 HN ALA 9 4.859 -9.383 0.148 791 HA ALA 9 HA ALA 9 7.372 -9.364 1.452 792 1HB ALA 9 HB2 ALA 9 6.260 -7.513 -0.673 793 2HB ALA 9 HB1 ALA 9 7.957 -7.559 -0.194 794 3HB ALA 9 HB3 ALA 9 7.211 -8.975 -0.934 795 H LEU 10 HN LEU 10 4.917 -6.744 1.304 796 HA LEU 10 HA LEU 10 6.431 -4.878 2.842 797 1HB LEU 10 HB2 LEU 10 3.491 -5.250 2.304 798 2HB LEU 10 HB1 LEU 10 3.993 -4.076 3.512 799 HG LEU 10 HG LEU 10 3.650 -3.208 1.122 800 1HD1 LEU 10 HD12 LEU 10 4.999 -2.070 2.977 801 2HD1 LEU 10 HD11 LEU 10 6.437 -2.698 2.178 802 3HD1 LEU 10 HD13 LEU 10 5.370 -1.589 1.326 803 1HD2 LEU 10 HD23 LEU 10 4.949 -5.231 0.167 804 2HD2 LEU 10 HD22 LEU 10 5.253 -3.650 -0.542 805 3HD2 LEU 10 HD21 LEU 10 6.402 -4.335 0.603 806 H ILE 11 HN ILE 11 4.212 -7.476 3.830 807 HA ILE 11 HA ILE 11 4.343 -6.839 6.647 808 HB ILE 11 HB ILE 11 3.716 -9.474 5.279 809 1HG1 ILE 11 HG12 ILE 11 1.815 -7.391 6.390 810 2HG1 ILE 11 HG11 ILE 11 2.255 -7.487 4.684 811 1HG2 ILE 11 HG22 ILE 11 3.357 -8.477 8.114 812 2HG2 ILE 11 HG21 ILE 11 2.477 -9.865 7.475 813 3HG2 ILE 11 HG23 ILE 11 4.236 -9.907 7.576 814 1HD1 ILE 11 HD12 ILE 11 1.115 -9.836 6.218 815 2HD1 ILE 11 HD11 ILE 11 0.110 -8.700 5.318 816 3HD1 ILE 11 HD13 ILE 11 1.307 -9.680 4.472 817 H ASP 12 HN ASP 12 6.125 -9.092 4.542 818 HA ASP 12 HA ASP 12 7.685 -10.288 6.624 819 1HB ASP 12 HB2 ASP 12 7.434 -11.126 4.238 820 2HB ASP 12 HB1 ASP 12 8.567 -9.862 3.758 821 H VAL 13 HN VAL 13 8.380 -7.545 4.442 822 HA VAL 13 HA VAL 13 10.969 -6.981 5.528 823 HB VAL 13 HB VAL 13 8.943 -5.238 4.099 824 1HG1 VAL 13 HG12 VAL 13 11.744 -4.629 5.056 825 2HG1 VAL 13 HG11 VAL 13 11.017 -3.766 3.700 826 3HG1 VAL 13 HG13 VAL 13 10.277 -3.681 5.300 827 1HG2 VAL 13 HG21 VAL 13 9.945 -7.125 2.825 828 2HG2 VAL 13 HG23 VAL 13 10.448 -5.559 2.189 829 3HG2 VAL 13 HG22 VAL 13 11.551 -6.498 3.195 830 H PHE 14 HN PHE 14 7.718 -5.806 6.350 831 HA PHE 14 HA PHE 14 8.473 -3.876 8.304 832 1HB PHE 14 HB2 PHE 14 6.171 -4.170 7.371 833 2HB PHE 14 HB1 PHE 14 6.022 -5.667 8.288 834 HD1 PHE 14 HD2 PHE 14 5.871 -5.637 10.747 835 HD2 PHE 14 HD1 PHE 14 6.110 -2.003 8.468 836 HE1 PHE 14 HE2 PHE 14 5.123 -4.344 12.728 837 HE2 PHE 14 HE1 PHE 14 5.361 -0.712 10.449 838 HZ PHE 14 HZ PHE 14 4.867 -1.881 12.579 839 H HIS 15 HN HIS 15 7.595 -7.310 8.686 840 HA HIS 15 HA HIS 15 8.141 -7.398 11.512 841 1HB HIS 15 HB2 HIS 15 6.641 -9.002 10.459 842 2HB HIS 15 HB1 HIS 15 7.948 -9.596 9.437 843 HD1 HIS 15 HD1 HIS 15 7.277 -9.200 13.184 844 HD2 HIS 15 HD2 HIS 15 9.203 -11.785 10.537 845 HE1 HIS 15 HE1 HIS 15 8.174 -11.119 14.578 846 HE2 HIS 15 HE2 HIS 15 9.349 -12.696 12.976 847 H GLN 16 HN GLN 16 10.065 -8.417 8.670 848 HA GLN 16 HA GLN 16 12.213 -9.559 10.130 849 1HB GLN 16 HB2 GLN 16 11.917 -9.825 7.689 850 2HB GLN 16 HB1 GLN 16 12.326 -8.124 7.461 851 1HG GLN 16 HG2 GLN 16 14.554 -8.473 8.324 852 2HG GLN 16 HG1 GLN 16 14.163 -10.125 8.806 853 1HE2 GLN 16 HE22 GLN 16 15.082 -9.317 4.912 854 2HE2 GLN 16 HE21 GLN 16 14.899 -8.052 6.029 855 H TYR 17 HN TYR 17 11.865 -6.213 8.906 856 HA TYR 17 HA TYR 17 14.355 -5.340 10.075 857 1HB TYR 17 HB2 TYR 17 12.002 -4.013 8.782 858 2HB TYR 17 HB1 TYR 17 13.061 -2.998 9.762 859 HD1 TYR 17 HD1 TYR 17 13.682 -5.917 7.484 860 HD2 TYR 17 HD2 TYR 17 14.531 -1.803 8.384 861 HE1 TYR 17 HE1 TYR 17 15.331 -5.853 5.634 862 HE2 TYR 17 HE2 TYR 17 16.179 -1.738 6.533 863 HH TYR 17 HH TYR 17 17.574 -4.207 5.230 864 H SER 18 HN SER 18 11.002 -5.329 11.243 865 HA SER 18 HA SER 18 11.390 -3.620 13.477 866 1HB SER 18 HB2 SER 18 9.183 -4.516 12.647 867 2HB SER 18 HB1 SER 18 9.595 -6.061 13.385 868 HG SER 18 HG SER 18 8.376 -4.192 14.576 869 H GLY 19 HN GLY 19 11.944 -7.120 13.139 870 1HA GLY 19 HA2 GLY 19 12.749 -7.380 15.943 871 2HA GLY 19 HA1 GLY 19 12.815 -8.649 14.725 872 H ARG 20 HN ARG 20 14.349 -6.215 13.184 873 HA ARG 20 HA ARG 20 16.934 -7.395 13.666 874 1HB ARG 20 HB2 ARG 20 17.798 -5.934 12.023 875 2HB ARG 20 HB1 ARG 20 16.159 -6.292 11.505 876 1HG ARG 20 HG2 ARG 20 15.797 -4.049 11.371 877 2HG ARG 20 HG1 ARG 20 15.887 -3.975 13.119 878 1HD ARG 20 HD2 ARG 20 18.236 -3.705 11.215 879 2HD ARG 20 HD1 ARG 20 17.443 -2.375 12.057 880 HE ARG 20 HE ARG 20 18.212 -4.070 14.101 881 1HH1 ARG 20 HH21 ARG 20 19.734 -2.549 11.407 882 2HH1 ARG 20 HH22 ARG 20 21.285 -2.448 12.173 883 1HH2 ARG 20 HH11 ARG 20 20.227 -3.948 15.113 884 2HH2 ARG 20 HH12 ARG 20 21.564 -3.239 14.271 885 H GLU 21 HN GLU 21 15.309 -4.597 15.013 886 HA GLU 21 HA GLU 21 17.801 -3.863 16.506 887 1HB GLU 21 HB2 GLU 21 16.785 -2.052 15.186 888 2HB GLU 21 HB1 GLU 21 15.254 -2.285 16.031 889 1HG GLU 21 HG2 GLU 21 16.258 -1.647 18.143 890 2HG GLU 21 HG1 GLU 21 17.862 -1.587 17.412 891 H GLY 22 HN GLY 22 14.513 -3.070 17.484 892 1HA GLY 22 HA2 GLY 22 15.045 -4.347 20.111 893 2HA GLY 22 HA1 GLY 22 13.734 -3.221 19.752 894 H ASP 23 HN ASP 23 12.227 -4.719 20.732 895 HA ASP 23 HA ASP 23 11.905 -7.404 19.665 896 1HB ASP 23 HB2 ASP 23 9.846 -7.448 21.023 897 2HB ASP 23 HB1 ASP 23 11.203 -6.826 21.965 898 H LYS 24 HN LYS 24 9.792 -8.067 18.593 899 HA LYS 24 HA LYS 24 9.285 -6.229 16.353 900 1HB LYS 24 HB2 LYS 24 7.641 -8.712 16.548 901 2HB LYS 24 HB1 LYS 24 8.577 -8.085 15.195 902 1HG LYS 24 HG2 LYS 24 9.864 -9.940 15.709 903 2HG LYS 24 HG1 LYS 24 10.648 -8.768 16.761 904 1HD LYS 24 HD2 LYS 24 8.796 -9.553 18.500 905 2HD LYS 24 HD1 LYS 24 8.726 -10.978 17.467 906 1HE LYS 24 HE2 LYS 24 11.124 -9.903 18.966 907 2HE LYS 24 HE1 LYS 24 10.328 -11.461 19.180 908 1HZ LYS 24 HZ3 LYS 24 11.086 -11.161 16.489 909 2HZ LYS 24 HZ2 LYS 24 12.433 -10.845 17.476 910 3HZ LYS 24 HZ1 LYS 24 11.603 -12.321 17.613 911 H HIS 25 HN HIS 25 7.901 -4.553 16.862 912 HA HIS 25 HA HIS 25 5.126 -5.134 17.367 913 1HB HIS 25 HB2 HIS 25 4.872 -4.278 19.591 914 2HB HIS 25 HB1 HIS 25 6.180 -5.456 19.655 915 HD1 HIS 25 HD1 HIS 25 8.592 -3.954 18.779 916 HD2 HIS 25 HD2 HIS 25 5.686 -2.178 21.188 917 HE1 HIS 25 HE1 HIS 25 9.720 -2.008 19.947 918 HE2 HIS 25 HE2 HIS 25 7.960 -0.919 21.413 919 H LYS 26 HN LYS 26 7.614 -2.612 17.782 920 HA LYS 26 HA LYS 26 6.023 -0.821 16.010 921 1HB LYS 26 HB2 LYS 26 7.056 -0.109 18.773 922 2HB LYS 26 HB1 LYS 26 6.558 1.093 17.583 923 1HG LYS 26 HG2 LYS 26 4.308 0.102 17.503 924 2HG LYS 26 HG1 LYS 26 4.803 -1.133 18.659 925 1HD LYS 26 HD2 LYS 26 3.639 0.589 19.891 926 2HD LYS 26 HD1 LYS 26 5.350 0.710 20.288 927 1HE LYS 26 HE2 LYS 26 5.636 2.670 19.032 928 2HE LYS 26 HE1 LYS 26 4.215 2.360 18.035 929 1HZ LYS 26 HZ3 LYS 26 2.977 2.558 20.281 930 2HZ LYS 26 HZ2 LYS 26 4.369 3.391 20.786 931 3HZ LYS 26 HZ1 LYS 26 3.460 3.967 19.470 932 H LEU 27 HN LEU 27 7.392 0.893 15.061 933 HA LEU 27 HA LEU 27 10.291 0.104 15.033 934 1HB LEU 27 HB2 LEU 27 10.136 1.633 12.845 935 2HB LEU 27 HB1 LEU 27 9.695 -0.070 12.800 936 HG LEU 27 HG LEU 27 7.547 1.906 13.517 937 1HD1 LEU 27 HD13 LEU 27 8.694 1.483 10.745 938 2HD1 LEU 27 HD12 LEU 27 7.063 2.090 11.017 939 3HD1 LEU 27 HD11 LEU 27 8.453 3.012 11.589 940 1HD2 LEU 27 HD23 LEU 27 7.356 -0.683 13.409 941 2HD2 LEU 27 HD22 LEU 27 6.110 0.262 12.597 942 3HD2 LEU 27 HD21 LEU 27 7.409 -0.477 11.661 943 H LYS 28 HN LYS 28 11.826 1.620 15.529 944 HA LYS 28 HA LYS 28 10.878 4.125 16.781 945 1HB LYS 28 HB2 LYS 28 13.670 2.952 16.553 946 2HB LYS 28 HB1 LYS 28 13.222 4.344 17.532 947 1HG LYS 28 HG2 LYS 28 11.970 1.609 17.893 948 2HG LYS 28 HG1 LYS 28 13.397 2.131 18.784 949 1HD LYS 28 HD2 LYS 28 11.992 4.176 19.495 950 2HD LYS 28 HD1 LYS 28 10.598 3.270 18.906 951 1HE LYS 28 HE2 LYS 28 12.563 2.279 20.992 952 2HE LYS 28 HE1 LYS 28 10.954 2.915 21.333 953 1HZ LYS 28 HZ2 LYS 28 10.286 1.108 19.575 954 2HZ LYS 28 HZ1 LYS 28 11.730 0.380 20.095 955 3HZ LYS 28 HZ3 LYS 28 10.497 0.705 21.212 956 H LYS 29 HN LYS 29 12.240 6.136 16.280 957 HA LYS 29 HA LYS 29 11.994 6.809 13.528 958 1HB LYS 29 HB2 LYS 29 13.266 8.842 14.117 959 2HB LYS 29 HB1 LYS 29 12.033 8.493 15.329 960 1HG LYS 29 HG2 LYS 29 13.772 7.357 16.716 961 2HG LYS 29 HG1 LYS 29 14.988 7.838 15.531 962 1HD LYS 29 HD2 LYS 29 14.421 10.210 15.903 963 2HD LYS 29 HD1 LYS 29 13.208 9.734 17.090 964 1HE LYS 29 HE2 LYS 29 14.958 8.702 18.481 965 2HE LYS 29 HE1 LYS 29 16.177 9.156 17.292 966 1HZ LYS 29 HZ2 LYS 29 14.743 11.450 17.850 967 2HZ LYS 29 HZ1 LYS 29 15.040 10.720 19.356 968 3HZ LYS 29 HZ3 LYS 29 16.335 11.093 18.325 969 H SER 30 HN SER 30 14.677 5.460 15.361 970 HA SER 30 HA SER 30 16.767 5.961 13.498 971 1HB SER 30 HB2 SER 30 17.951 4.131 14.587 972 2HB SER 30 HB1 SER 30 17.102 5.075 15.808 973 HG SER 30 HG SER 30 16.916 2.637 15.760 974 H GLU 31 HN GLU 31 14.381 3.325 13.654 975 HA GLU 31 HA GLU 31 15.527 1.812 11.491 976 1HB GLU 31 HB2 GLU 31 12.668 1.877 12.505 977 2HB GLU 31 HB1 GLU 31 13.335 0.660 11.416 978 1HG GLU 31 HG2 GLU 31 14.997 0.029 13.130 979 2HG GLU 31 HG1 GLU 31 14.331 1.244 14.221 980 H LEU 32 HN LEU 32 13.271 4.519 11.606 981 HA LEU 32 HA LEU 32 12.245 4.326 8.961 982 1HB LEU 32 HB2 LEU 32 12.117 6.169 11.122 983 2HB LEU 32 HB1 LEU 32 12.689 7.112 9.755 984 HG LEU 32 HG LEU 32 10.255 7.190 9.883 985 1HD1 LEU 32 HD12 LEU 32 11.583 6.932 7.627 986 2HD1 LEU 32 HD11 LEU 32 10.759 5.374 7.540 987 3HD1 LEU 32 HD13 LEU 32 9.823 6.865 7.626 988 1HD2 LEU 32 HD22 LEU 32 10.288 4.703 10.908 989 2HD2 LEU 32 HD21 LEU 32 8.866 5.366 10.108 990 3HD2 LEU 32 HD23 LEU 32 9.944 4.283 9.231 991 H LYS 33 HN LYS 33 15.158 5.947 10.195 992 HA LYS 33 HA LYS 33 16.020 7.106 7.749 993 1HB LYS 33 HB2 LYS 33 16.946 7.600 10.018 994 2HB LYS 33 HB1 LYS 33 17.747 6.031 9.995 995 1HG LYS 33 HG2 LYS 33 18.998 6.691 7.976 996 2HG LYS 33 HG1 LYS 33 18.196 8.264 7.995 997 1HD LYS 33 HD2 LYS 33 19.139 8.725 10.225 998 2HD LYS 33 HD1 LYS 33 19.944 7.156 10.213 999 1HE LYS 33 HE2 LYS 33 21.581 8.771 9.529 1000 2HE LYS 33 HE1 LYS 33 21.101 7.893 8.076 1001 1HZ LYS 33 HZ2 LYS 33 20.001 10.513 8.941 1002 2HZ LYS 33 HZ1 LYS 33 21.156 10.290 7.716 1003 3HZ LYS 33 HZ3 LYS 33 19.589 9.676 7.521 1004 H GLU 34 HN GLU 34 16.763 3.905 9.149 1005 HA GLU 34 HA GLU 34 18.469 3.096 6.965 1006 1HB GLU 34 HB2 GLU 34 16.992 1.526 9.090 1007 2HB GLU 34 HB1 GLU 34 18.061 0.773 7.906 1008 1HG GLU 34 HG2 GLU 34 19.926 2.175 8.668 1009 2HG GLU 34 HG1 GLU 34 18.869 2.975 9.831 1010 H LEU 35 HN LEU 35 15.010 2.695 7.638 1011 HA LEU 35 HA LEU 35 14.414 0.855 5.563 1012 1HB LEU 35 HB2 LEU 35 12.844 1.513 7.379 1013 2HB LEU 35 HB1 LEU 35 12.684 3.102 6.644 1014 HG LEU 35 HG LEU 35 11.878 1.918 4.528 1015 1HD1 LEU 35 HD13 LEU 35 11.981 -0.408 6.451 1016 2HD1 LEU 35 HD12 LEU 35 10.837 -0.384 5.113 1017 3HD1 LEU 35 HD11 LEU 35 12.567 -0.327 4.791 1018 1HD2 LEU 35 HD22 LEU 35 10.372 3.061 6.122 1019 2HD2 LEU 35 HD21 LEU 35 9.605 1.639 5.416 1020 3HD2 LEU 35 HD23 LEU 35 10.244 1.572 7.058 1021 H ILE 36 HN ILE 36 14.575 4.425 5.487 1022 HA ILE 36 HA ILE 36 13.647 4.676 2.778 1023 HB ILE 36 HB ILE 36 15.415 6.501 4.426 1024 1HG1 ILE 36 HG12 ILE 36 12.448 6.682 3.818 1025 2HG1 ILE 36 HG11 ILE 36 13.093 5.965 5.294 1026 1HG2 ILE 36 HG21 ILE 36 14.039 6.848 1.757 1027 2HG2 ILE 36 HG23 ILE 36 14.457 8.229 2.770 1028 3HG2 ILE 36 HG22 ILE 36 15.725 7.163 2.168 1029 1HD1 ILE 36 HD12 ILE 36 14.363 8.183 5.618 1030 2HD1 ILE 36 HD11 ILE 36 13.301 8.834 4.370 1031 3HD1 ILE 36 HD13 ILE 36 12.620 8.220 5.875 1032 H ASN 37 HN ASN 37 16.924 4.402 4.154 1033 HA ASN 37 HA ASN 37 18.284 4.773 1.644 1034 1HB ASN 37 HB2 ASN 37 19.376 4.997 3.885 1035 2HB ASN 37 HB1 ASN 37 19.263 3.246 4.074 1036 1HD2 ASN 37 HD22 ASN 37 22.483 3.156 2.571 1037 2HD2 ASN 37 HD21 ASN 37 21.600 2.933 4.003 1038 H ASN 38 HN ASN 38 17.001 1.931 3.297 1039 HA ASN 38 HA ASN 38 18.271 -0.071 1.747 1040 1HB ASN 38 HB2 ASN 38 16.989 -0.555 3.791 1041 2HB ASN 38 HB1 ASN 38 15.496 -0.104 2.967 1042 1HD2 ASN 38 HD22 ASN 38 17.379 -3.538 1.680 1043 2HD2 ASN 38 HD21 ASN 38 18.324 -2.237 2.224 1044 H GLU 39 HN GLU 39 15.143 1.591 1.146 1045 HA GLU 39 HA GLU 39 15.094 0.317 -1.575 1046 1HB GLU 39 HB2 GLU 39 12.625 1.321 -1.397 1047 2HB GLU 39 HB1 GLU 39 13.040 -0.211 -0.632 1048 1HG GLU 39 HG2 GLU 39 13.332 0.837 1.511 1049 2HG GLU 39 HG1 GLU 39 13.215 2.448 0.808 1050 H LEU 40 HN LEU 40 13.239 3.159 -0.804 1051 HA LEU 40 HA LEU 40 13.832 4.560 -3.133 1052 1HB LEU 40 HB2 LEU 40 13.251 5.801 -0.434 1053 2HB LEU 40 HB1 LEU 40 12.981 6.547 -2.008 1054 HG LEU 40 HG LEU 40 11.624 4.029 -0.992 1055 1HD1 LEU 40 HD12 LEU 40 10.972 6.302 0.016 1056 2HD1 LEU 40 HD11 LEU 40 10.366 6.713 -1.589 1057 3HD1 LEU 40 HD13 LEU 40 9.669 5.356 -0.703 1058 1HD2 LEU 40 HD21 LEU 40 11.584 5.497 -3.630 1059 2HD2 LEU 40 HD23 LEU 40 11.673 3.761 -3.328 1060 3HD2 LEU 40 HD22 LEU 40 10.153 4.618 -3.095 1061 H SER 41 HN SER 41 16.016 4.599 -3.679 1062 HA SER 41 HA SER 41 17.832 6.187 -1.891 1063 1HB SER 41 HB2 SER 41 19.680 5.128 -3.102 1064 2HB SER 41 HB1 SER 41 18.614 3.885 -2.451 1065 HG SER 41 HG SER 41 17.552 4.201 -4.663 1066 H HIS 42 HN HIS 42 17.284 5.544 -5.366 1067 HA HIS 42 HA HIS 42 18.418 8.043 -6.237 1068 1HB HIS 42 HB2 HIS 42 18.232 6.079 -7.717 1069 2HB HIS 42 HB1 HIS 42 16.473 6.186 -7.642 1070 HD1 HIS 42 HD1 HIS 42 19.396 8.463 -8.604 1071 HD2 HIS 42 HD2 HIS 42 15.432 7.725 -9.679 1072 HE1 HIS 42 HE1 HIS 42 18.897 9.959 -10.589 1073 HE2 HIS 42 HE2 HIS 42 16.490 9.519 -11.251 1074 H PHE 43 HN PHE 43 15.078 6.987 -5.596 1075 HA PHE 43 HA PHE 43 13.762 9.291 -6.609 1076 1HB PHE 43 HB2 PHE 43 13.044 7.287 -4.464 1077 2HB PHE 43 HB1 PHE 43 11.974 8.640 -4.836 1078 HD1 PHE 43 HD1 PHE 43 11.148 8.940 -7.216 1079 HD2 PHE 43 HD2 PHE 43 13.147 5.378 -5.884 1080 HE1 PHE 43 HE1 PHE 43 10.276 7.714 -9.187 1081 HE2 PHE 43 HE2 PHE 43 12.273 4.152 -7.855 1082 HZ PHE 43 HZ PHE 43 10.838 5.321 -9.506 1083 H LEU 44 HN LEU 44 15.153 8.678 -3.387 1084 HA LEU 44 HA LEU 44 14.680 11.574 -2.713 1085 1HB LEU 44 HB2 LEU 44 14.722 9.067 -1.039 1086 2HB LEU 44 HB1 LEU 44 15.112 10.612 -0.297 1087 HG LEU 44 HG LEU 44 12.695 9.932 -0.097 1088 1HD1 LEU 44 HD11 LEU 44 13.654 12.392 -0.234 1089 2HD1 LEU 44 HD13 LEU 44 12.761 12.437 -1.755 1090 3HD1 LEU 44 HD12 LEU 44 11.918 12.110 -0.244 1091 1HD2 LEU 44 HD22 LEU 44 12.742 9.015 -2.553 1092 2HD2 LEU 44 HD21 LEU 44 11.274 9.773 -1.942 1093 3HD2 LEU 44 HD23 LEU 44 12.360 10.681 -2.991 1094 H GLU 45 HN GLU 45 16.579 12.627 -3.137 1095 HA GLU 45 HA GLU 45 19.134 11.360 -2.194 1096 1HB GLU 45 HB2 GLU 45 20.268 12.689 -3.968 1097 2HB GLU 45 HB1 GLU 45 19.137 11.508 -4.622 1098 1HG GLU 45 HG2 GLU 45 18.345 14.383 -4.120 1099 2HG GLU 45 HG1 GLU 45 19.046 13.854 -5.645 1100 H GLU 46 HN GLU 46 16.938 13.835 -1.647 1101 HA GLU 46 HA GLU 46 18.907 15.864 -0.838 1102 1HB GLU 46 HB2 GLU 46 15.894 15.686 -0.732 1103 2HB GLU 46 HB1 GLU 46 16.750 16.964 0.127 1104 1HG GLU 46 HG2 GLU 46 16.169 17.858 -2.017 1105 2HG GLU 46 HG1 GLU 46 17.896 17.519 -2.081 1106 H ILE 47 HN ILE 47 17.641 13.044 0.576 1107 HA ILE 47 HA ILE 47 17.590 14.071 3.317 1108 HB ILE 47 HB ILE 47 17.571 11.227 2.257 1109 1HG1 ILE 47 HG12 ILE 47 15.330 12.933 3.387 1110 2HG1 ILE 47 HG11 ILE 47 15.616 12.700 1.663 1111 1HG2 ILE 47 HG22 ILE 47 17.130 12.348 5.043 1112 2HG2 ILE 47 HG21 ILE 47 16.717 10.701 4.570 1113 3HG2 ILE 47 HG23 ILE 47 18.398 11.230 4.543 1114 1HD1 ILE 47 HD12 ILE 47 15.413 10.225 2.023 1115 2HD1 ILE 47 HD11 ILE 47 14.959 10.551 3.696 1116 3HD1 ILE 47 HD13 ILE 47 13.928 11.109 2.377 1117 H LYS 48 HN LYS 48 19.650 14.951 3.649 1118 HA LYS 48 HA LYS 48 21.881 12.955 3.893 1119 1HB LYS 48 HB2 LYS 48 22.071 15.896 3.155 1120 2HB LYS 48 HB1 LYS 48 23.443 14.821 3.423 1121 1HG LYS 48 HG2 LYS 48 22.680 13.381 1.568 1122 2HG LYS 48 HG1 LYS 48 21.310 14.459 1.296 1123 1HD LYS 48 HD2 LYS 48 22.861 16.320 0.826 1124 2HD LYS 48 HD1 LYS 48 24.233 15.243 1.093 1125 1HE LYS 48 HE2 LYS 48 23.435 13.795 -0.758 1126 2HE LYS 48 HE1 LYS 48 22.111 14.924 -1.049 1127 1HZ LYS 48 HZ3 LYS 48 24.635 16.246 -0.928 1128 2HZ LYS 48 HZ2 LYS 48 24.617 15.050 -2.135 1129 3HZ LYS 48 HZ1 LYS 48 23.453 16.289 -2.144 1130 H GLU 49 HN GLU 49 20.107 15.672 5.177 1131 HA GLU 49 HA GLU 49 21.697 15.594 7.711 1132 1HB GLU 49 HB2 GLU 49 19.722 17.630 6.623 1133 2HB GLU 49 HB1 GLU 49 20.491 17.736 8.207 1134 1HG GLU 49 HG2 GLU 49 22.089 17.489 5.652 1135 2HG GLU 49 HG1 GLU 49 21.617 19.051 6.322 1136 H GLN 50 HN GLN 50 20.695 14.894 9.579 1137 HA GLN 50 HA GLN 50 18.327 13.318 9.420 1138 1HB GLN 50 HB2 GLN 50 18.389 13.395 11.931 1139 2HB GLN 50 HB1 GLN 50 19.926 12.936 11.202 1140 1HG GLN 50 HG2 GLN 50 20.478 14.535 12.879 1141 2HG GLN 50 HG1 GLN 50 20.571 15.415 11.356 1142 1HE2 GLN 50 HE22 GLN 50 18.483 17.819 12.927 1143 2HE2 GLN 50 HE21 GLN 50 20.034 17.488 12.321 1144 H GLU 51 HN GLU 51 18.777 16.724 9.813 1145 HA GLU 51 HA GLU 51 16.405 17.417 11.206 1146 1HB GLU 51 HB2 GLU 51 18.224 19.019 10.723 1147 2HB GLU 51 HB1 GLU 51 17.815 18.961 9.009 1148 1HG GLU 51 HG2 GLU 51 15.571 19.848 9.497 1149 2HG GLU 51 HG1 GLU 51 15.947 19.872 11.220 1150 H VAL 52 HN VAL 52 16.933 16.899 7.708 1151 HA VAL 52 HA VAL 52 14.324 17.687 6.876 1152 HB VAL 52 HB VAL 52 16.267 15.674 5.706 1153 1HG1 VAL 52 HG13 VAL 52 13.594 16.671 4.691 1154 2HG1 VAL 52 HG12 VAL 52 14.826 16.021 3.609 1155 3HG1 VAL 52 HG11 VAL 52 14.131 15.001 4.868 1156 1HG2 VAL 52 HG21 VAL 52 15.488 18.520 4.994 1157 2HG2 VAL 52 HG23 VAL 52 17.030 17.998 5.674 1158 3HG2 VAL 52 HG22 VAL 52 16.577 17.514 4.040 1159 H VAL 53 HN VAL 53 15.561 14.546 8.005 1160 HA VAL 53 HA VAL 53 13.180 13.059 7.532 1161 HB VAL 53 HB VAL 53 15.371 12.734 9.599 1162 1HG1 VAL 53 HG12 VAL 53 12.967 11.014 8.965 1163 2HG1 VAL 53 HG11 VAL 53 14.431 10.335 9.679 1164 3HG1 VAL 53 HG13 VAL 53 13.524 11.576 10.542 1165 1HG2 VAL 53 HG21 VAL 53 15.891 12.498 7.125 1166 2HG2 VAL 53 HG23 VAL 53 16.221 11.059 8.090 1167 3HG2 VAL 53 HG22 VAL 53 14.768 11.138 7.093 1168 H ASP 54 HN ASP 54 14.210 14.964 10.375 1169 HA ASP 54 HA ASP 54 11.968 14.289 12.017 1170 1HB ASP 54 HB2 ASP 54 13.763 16.725 11.956 1171 2HB ASP 54 HB1 ASP 54 12.511 16.489 13.176 1172 H LYS 55 HN LYS 55 12.463 16.924 9.671 1173 HA LYS 55 HA LYS 55 9.934 18.206 10.162 1174 1HB LYS 55 HB2 LYS 55 11.903 19.207 8.913 1175 2HB LYS 55 HB1 LYS 55 11.474 18.171 7.551 1176 1HG LYS 55 HG2 LYS 55 9.226 19.186 7.480 1177 2HG LYS 55 HG1 LYS 55 9.652 20.225 8.841 1178 1HD LYS 55 HD2 LYS 55 11.482 21.219 7.504 1179 2HD LYS 55 HD1 LYS 55 11.032 20.195 6.140 1180 1HE LYS 55 HE2 LYS 55 9.233 22.249 7.460 1181 2HE LYS 55 HE1 LYS 55 10.056 22.452 5.913 1182 1HZ LYS 55 HZ3 LYS 55 8.844 20.168 5.453 1183 2HZ LYS 55 HZ2 LYS 55 7.753 20.795 6.595 1184 3HZ LYS 55 HZ1 LYS 55 8.087 21.659 5.170 1185 H VAL 56 HN VAL 56 10.997 15.783 7.791 1186 HA VAL 56 HA VAL 56 8.424 15.528 6.513 1187 HB VAL 56 HB VAL 56 10.869 13.741 6.606 1188 1HG1 VAL 56 HG12 VAL 56 8.284 13.433 5.059 1189 2HG1 VAL 56 HG11 VAL 56 9.783 12.629 4.596 1190 3HG1 VAL 56 HG13 VAL 56 9.030 12.261 6.147 1191 1HG2 VAL 56 HG23 VAL 56 11.069 15.940 5.457 1192 2HG2 VAL 56 HG22 VAL 56 11.212 14.588 4.334 1193 3HG2 VAL 56 HG21 VAL 56 9.706 15.502 4.427 1194 H MET 57 HN MET 57 10.058 13.743 9.110 1195 HA MET 57 HA MET 57 8.156 11.653 9.383 1196 1HB MET 57 HB2 MET 57 10.375 11.653 10.471 1197 2HB MET 57 HB1 MET 57 9.843 12.952 11.540 1198 1HG MET 57 HG2 MET 57 8.248 11.560 12.617 1199 2HG MET 57 HG1 MET 57 8.346 10.336 11.349 1200 1HE MET 57 HE3 MET 57 8.291 8.832 13.106 1201 2HE MET 57 HE2 MET 57 9.757 8.016 13.634 1202 3HE MET 57 HE1 MET 57 9.027 9.247 14.659 1203 H GLU 58 HN GLU 58 8.255 14.860 10.938 1204 HA GLU 58 HA GLU 58 5.948 14.394 12.594 1205 1HB GLU 58 HB2 GLU 58 7.297 16.926 11.629 1206 2HB GLU 58 HB1 GLU 58 5.949 16.925 12.769 1207 1HG GLU 58 HG2 GLU 58 7.231 15.516 14.318 1208 2HG GLU 58 HG1 GLU 58 8.571 15.452 13.174 1209 H THR 59 HN THR 59 6.342 15.858 9.374 1210 HA THR 59 HA THR 59 3.650 16.767 9.085 1211 HB THR 59 HB THR 59 5.588 15.821 6.954 1212 HG1 THR 59 HG1 THR 59 6.080 17.647 8.489 1213 1HG2 THR 59 HG22 THR 59 3.002 17.374 6.849 1214 2HG2 THR 59 HG21 THR 59 4.201 17.468 5.559 1215 3HG2 THR 59 HG23 THR 59 3.442 15.924 5.947 1216 H LEU 60 HN LEU 60 5.166 13.661 8.244 1217 HA LEU 60 HA LEU 60 2.785 12.587 7.032 1218 1HB LEU 60 HB2 LEU 60 5.365 11.860 6.933 1219 2HB LEU 60 HB1 LEU 60 4.851 10.753 8.198 1220 HG LEU 60 HG LEU 60 4.621 9.625 6.070 1221 1HD1 LEU 60 HD13 LEU 60 2.758 9.505 7.875 1222 2HD1 LEU 60 HD12 LEU 60 1.803 10.456 6.737 1223 3HD1 LEU 60 HD11 LEU 60 2.406 8.867 6.270 1224 1HD2 LEU 60 HD22 LEU 60 4.247 12.048 4.910 1225 2HD2 LEU 60 HD21 LEU 60 3.758 10.541 4.143 1226 3HD2 LEU 60 HD23 LEU 60 2.567 11.521 4.993 1227 H ASP 61 HN ASP 61 4.141 12.313 10.323 1228 HA ASP 61 HA ASP 61 2.149 10.392 11.175 1229 1HB ASP 61 HB2 ASP 61 3.975 12.248 12.723 1230 2HB ASP 61 HB1 ASP 61 2.905 11.076 13.493 1231 H GLU 62 HN GLU 62 0.031 10.835 11.446 1232 HA GLU 62 HA GLU 62 -1.001 13.529 11.446 1233 1HB GLU 62 HB2 GLU 62 -2.354 10.920 12.199 1234 2HB GLU 62 HB1 GLU 62 -3.183 12.447 11.901 1235 1HG GLU 62 HG2 GLU 62 -1.464 10.975 9.881 1236 2HG GLU 62 HG1 GLU 62 -3.227 10.972 9.906 1237 H ASP 63 HN ASP 63 -0.474 11.114 14.006 1238 HA ASP 63 HA ASP 63 -1.540 12.977 16.039 1239 1HB ASP 63 HB2 ASP 63 -1.130 11.122 17.610 1240 2HB ASP 63 HB1 ASP 63 -2.055 10.576 16.211 1241 H GLY 64 HN GLY 64 1.451 12.460 14.548 1242 1HA GLY 64 HA2 GLY 64 3.666 12.997 15.170 1243 2HA GLY 64 HA1 GLY 64 2.886 14.393 15.914 1244 H ASP 65 HN ASP 65 2.916 10.901 16.735 1245 HA ASP 65 HA ASP 65 3.274 11.620 19.580 1246 1HB ASP 65 HB2 ASP 65 2.971 9.198 19.974 1247 2HB ASP 65 HB1 ASP 65 1.666 9.856 18.985 1248 H GLY 66 HN GLY 66 5.335 11.174 17.014 1249 1HA GLY 66 HA2 GLY 66 7.700 11.093 17.064 1250 2HA GLY 66 HA1 GLY 66 7.622 10.822 18.804 1251 H GLU 67 HN GLU 67 5.520 8.642 17.583 1252 HA GLU 67 HA GLU 67 7.618 6.518 17.212 1253 1HB GLU 67 HB2 GLU 67 4.893 6.254 18.529 1254 2HB GLU 67 HB1 GLU 67 6.059 4.952 18.301 1255 1HG GLU 67 HG2 GLU 67 6.540 7.462 19.934 1256 2HG GLU 67 HG1 GLU 67 6.165 5.871 20.597 1257 H CYS 68 HN CYS 68 7.105 4.902 15.653 1258 HA CYS 68 HA CYS 68 5.029 5.755 13.682 1259 1HB CYS 68 HB2 CYS 68 7.599 4.228 13.516 1260 2HB CYS 68 HB1 CYS 68 6.348 3.890 12.319 1261 HG CYS 68 HG CYS 68 8.132 6.230 12.173 1262 H ASP 69 HN ASP 69 3.122 4.771 13.998 1263 HA ASP 69 HA ASP 69 2.976 2.071 15.197 1264 1HB ASP 69 HB2 ASP 69 0.921 4.154 14.423 1265 2HB ASP 69 HB1 ASP 69 0.458 2.526 14.923 1266 H PHE 70 HN PHE 70 1.544 0.431 14.080 1267 HA PHE 70 HA PHE 70 2.469 -0.099 11.442 1268 1HB PHE 70 HB2 PHE 70 1.513 -1.816 13.002 1269 2HB PHE 70 HB1 PHE 70 -0.086 -1.126 12.716 1270 HD1 PHE 70 HD1 PHE 70 -1.190 -1.348 10.533 1271 HD2 PHE 70 HD2 PHE 70 2.694 -3.027 11.260 1272 HE1 PHE 70 HE1 PHE 70 -1.380 -2.693 8.456 1273 HE2 PHE 70 HE2 PHE 70 2.507 -4.371 9.187 1274 HZ PHE 70 HZ PHE 70 0.471 -4.203 7.785 1275 H GLN 71 HN GLN 71 -0.524 1.398 12.618 1276 HA GLN 71 HA GLN 71 -1.856 1.633 10.113 1277 1HB GLN 71 HB2 GLN 71 -1.933 3.357 12.608 1278 2HB GLN 71 HB1 GLN 71 -3.029 3.579 11.242 1279 1HG GLN 71 HG2 GLN 71 -3.935 1.363 11.509 1280 2HG GLN 71 HG1 GLN 71 -2.705 0.945 12.702 1281 1HE2 GLN 71 HE22 GLN 71 -4.344 2.622 15.381 1282 2HE2 GLN 71 HE21 GLN 71 -2.882 1.934 14.859 1283 H GLU 72 HN GLU 72 0.513 3.718 11.729 1284 HA GLU 72 HA GLU 72 0.440 5.811 9.741 1285 1HB GLU 72 HB2 GLU 72 2.512 5.036 11.810 1286 2HB GLU 72 HB1 GLU 72 2.650 6.461 10.780 1287 1HG GLU 72 HG2 GLU 72 0.547 7.343 11.655 1288 2HG GLU 72 HG1 GLU 72 0.318 5.890 12.629 1289 H PHE 73 HN PHE 73 2.369 2.878 10.177 1290 HA PHE 73 HA PHE 73 4.332 3.363 8.179 1291 1HB PHE 73 HB2 PHE 73 4.501 1.497 9.762 1292 2HB PHE 73 HB1 PHE 73 3.064 0.750 9.064 1293 HD1 PHE 73 HD2 PHE 73 3.120 -0.280 6.853 1294 HD2 PHE 73 HD1 PHE 73 6.637 1.495 8.564 1295 HE1 PHE 73 HE2 PHE 73 4.517 -1.402 5.145 1296 HE2 PHE 73 HE1 PHE 73 8.036 0.371 6.849 1297 HZ PHE 73 HZ PHE 73 6.976 -1.077 5.140 1298 H MET 74 HN MET 74 1.183 1.695 7.930 1299 HA MET 74 HA MET 74 1.322 1.151 5.139 1300 1HB MET 74 HB2 MET 74 -0.414 0.428 7.015 1301 2HB MET 74 HB1 MET 74 -1.296 1.851 6.469 1302 1HG MET 74 HG2 MET 74 -0.434 -0.506 4.768 1303 2HG MET 74 HG1 MET 74 -2.082 -0.098 5.240 1304 1HE MET 74 HE2 MET 74 -0.575 -0.570 2.356 1305 2HE MET 74 HE1 MET 74 -0.279 0.893 1.421 1306 3HE MET 74 HE3 MET 74 0.797 0.460 2.757 1307 H ALA 75 HN ALA 75 0.175 3.969 6.953 1308 HA ALA 75 HA ALA 75 -0.889 5.476 4.788 1309 1HB ALA 75 HB3 ALA 75 -1.195 6.039 7.198 1310 2HB ALA 75 HB2 ALA 75 0.497 6.532 7.267 1311 3HB ALA 75 HB1 ALA 75 -0.638 7.416 6.247 1312 H PHE 76 HN PHE 76 2.428 5.193 6.009 1313 HA PHE 76 HA PHE 76 3.575 7.337 4.542 1314 1HB PHE 76 HB2 PHE 76 4.718 5.987 6.337 1315 2HB PHE 76 HB1 PHE 76 4.893 4.680 5.168 1316 HD1 PHE 76 HD1 PHE 76 6.218 5.068 3.054 1317 HD2 PHE 76 HD2 PHE 76 6.167 7.882 6.299 1318 HE1 PHE 76 HE1 PHE 76 8.266 6.145 2.155 1319 HE2 PHE 76 HE2 PHE 76 8.210 8.960 5.400 1320 HZ PHE 76 HZ PHE 76 9.259 8.091 3.327 1321 H VAL 77 HN VAL 77 3.145 3.910 3.632 1322 HA VAL 77 HA VAL 77 4.371 4.163 1.050 1323 HB VAL 77 HB VAL 77 2.286 2.226 2.100 1324 1HG1 VAL 77 HG12 VAL 77 3.824 2.294 -0.503 1325 2HG1 VAL 77 HG11 VAL 77 3.122 0.810 0.142 1326 3HG1 VAL 77 HG13 VAL 77 2.080 2.170 -0.277 1327 1HG2 VAL 77 HG23 VAL 77 5.297 2.073 1.752 1328 2HG2 VAL 77 HG22 VAL 77 4.402 2.048 3.274 1329 3HG2 VAL 77 HG21 VAL 77 4.280 0.690 2.156 1330 H SER 78 HN SER 78 1.008 4.523 2.160 1331 HA SER 78 HA SER 78 -0.176 4.807 -0.422 1332 1HB SER 78 HB2 SER 78 -1.452 4.422 1.683 1333 2HB SER 78 HB1 SER 78 -1.077 6.069 2.183 1334 HG SER 78 HG SER 78 -2.004 6.223 -0.267 1335 H MET 79 HN MET 79 1.216 7.248 1.777 1336 HA MET 79 HA MET 79 0.395 9.534 0.303 1337 1HB MET 79 HB2 MET 79 1.404 9.594 2.588 1338 2HB MET 79 HB1 MET 79 2.969 9.207 1.874 1339 1HG MET 79 HG2 MET 79 2.863 11.607 2.157 1340 2HG MET 79 HG1 MET 79 2.731 11.273 0.433 1341 1HE MET 79 HE3 MET 79 2.213 13.706 0.648 1342 2HE MET 79 HE2 MET 79 0.575 14.347 0.737 1343 3HE MET 79 HE1 MET 79 1.497 14.096 2.217 1344 H VAL 80 HN VAL 80 3.347 7.541 -0.025 1345 HA VAL 80 HA VAL 80 4.505 9.146 -2.104 1346 HB VAL 80 HB VAL 80 4.859 6.224 -1.377 1347 1HG1 VAL 80 HG13 VAL 80 6.137 7.895 -3.546 1348 2HG1 VAL 80 HG12 VAL 80 7.038 6.582 -2.786 1349 3HG1 VAL 80 HG11 VAL 80 5.530 6.242 -3.636 1350 1HG2 VAL 80 HG22 VAL 80 5.610 8.144 0.173 1351 2HG2 VAL 80 HG21 VAL 80 6.836 6.955 -0.268 1352 3HG2 VAL 80 HG23 VAL 80 6.801 8.524 -1.070 1353 H THR 81 HN THR 81 2.543 6.167 -2.255 1354 HA THR 81 HA THR 81 2.437 6.152 -5.135 1355 HB THR 81 HB THR 81 0.349 4.860 -3.379 1356 HG1 THR 81 HG1 THR 81 1.811 3.652 -2.511 1357 1HG2 THR 81 HG22 THR 81 0.639 4.791 -6.059 1358 2HG2 THR 81 HG21 THR 81 1.767 3.506 -5.632 1359 3HG2 THR 81 HG23 THR 81 0.075 3.391 -5.148 1360 H THR 82 HN THR 82 0.256 7.403 -2.620 1361 HA THR 82 HA THR 82 -1.937 8.054 -4.302 1362 HB THR 82 HB THR 82 -0.953 9.503 -1.821 1363 HG1 THR 82 HG1 THR 82 -3.050 7.646 -1.929 1364 1HG2 THR 82 HG22 THR 82 -2.613 10.816 -3.112 1365 2HG2 THR 82 HG21 THR 82 -3.695 9.424 -3.107 1366 3HG2 THR 82 HG23 THR 82 -3.292 10.232 -1.595 1367 H ALA 83 HN ALA 83 0.966 9.956 -3.486 1368 HA ALA 83 HA ALA 83 0.118 12.306 -4.927 1369 1HB ALA 83 HB2 ALA 83 2.841 11.349 -4.017 1370 2HB ALA 83 HB1 ALA 83 2.575 12.908 -4.798 1371 3HB ALA 83 HB3 ALA 83 1.814 12.558 -3.246 1372 H CYS 84 HN CYS 84 2.128 9.510 -5.817 1373 HA CYS 84 HA CYS 84 2.740 10.616 -8.445 1374 1HB CYS 84 HB2 CYS 84 3.107 7.819 -7.344 1375 2HB CYS 84 HB1 CYS 84 3.778 8.414 -8.862 1376 HG CYS 84 HG CYS 84 5.145 8.754 -6.296 1377 H HIS 85 HN HIS 85 1.688 10.290 -10.319 1378 HA HIS 85 HA HIS 85 -0.903 8.895 -10.289 1379 1HB HIS 85 HB2 HIS 85 0.331 9.962 -12.822 1380 2HB HIS 85 HB1 HIS 85 -1.347 10.030 -12.282 1381 HD1 HIS 85 HD1 HIS 85 -1.148 11.396 -9.608 1382 HD2 HIS 85 HD2 HIS 85 1.142 12.597 -12.881 1383 HE1 HIS 85 HE1 HIS 85 -0.457 13.793 -9.159 1384 HE2 HIS 85 HE2 HIS 85 0.936 14.533 -11.145 1385 H GLU 86 HN GLU 86 -0.459 8.119 -13.204 1386 HA GLU 86 HA GLU 86 0.363 5.415 -12.766 1387 1HB GLU 86 HB2 GLU 86 0.247 7.093 -15.294 1388 2HB GLU 86 HB1 GLU 86 0.599 5.365 -15.290 1389 1HG GLU 86 HG2 GLU 86 -1.763 5.599 -15.692 1390 2HG GLU 86 HG1 GLU 86 -1.576 5.027 -14.033 1391 H PHE 87 HN PHE 87 2.048 8.321 -13.858 1392 HA PHE 87 HA PHE 87 4.338 8.732 -14.228 1393 1HB PHE 87 HB2 PHE 87 3.986 8.587 -11.707 1394 2HB PHE 87 HB1 PHE 87 4.643 6.954 -11.803 1395 HD1 PHE 87 HD1 PHE 87 5.389 10.529 -12.540 1396 HD2 PHE 87 HD2 PHE 87 6.988 6.582 -11.972 1397 HE1 PHE 87 HE1 PHE 87 7.685 11.463 -12.515 1398 HE2 PHE 87 HE2 PHE 87 9.285 7.518 -11.949 1399 HZ PHE 87 HZ PHE 87 9.633 9.958 -12.221 1400 H PHE 88 HN PHE 88 4.036 7.103 -16.162 1401 HA PHE 88 HA PHE 88 6.285 5.197 -15.952 1402 1HB PHE 88 HB2 PHE 88 5.095 3.259 -16.535 1403 2HB PHE 88 HB1 PHE 88 4.028 4.040 -15.375 1404 HD1 PHE 88 HD1 PHE 88 2.452 5.944 -16.595 1405 HD2 PHE 88 HD2 PHE 88 4.029 2.387 -18.420 1406 HE1 PHE 88 HE1 PHE 88 0.639 6.005 -18.289 1407 HE2 PHE 88 HE2 PHE 88 2.221 2.454 -20.114 1408 HZ PHE 88 HZ PHE 88 0.525 4.263 -20.048 1409 H GLU 89 HN GLU 89 7.540 5.724 -17.637 1410 HA GLU 89 HA GLU 89 6.423 7.095 -19.978 1411 1HB GLU 89 HB2 GLU 89 9.243 6.217 -19.282 1412 2HB GLU 89 HB1 GLU 89 8.815 7.151 -20.718 1413 1HG GLU 89 HG2 GLU 89 7.876 8.929 -19.297 1414 2HG GLU 89 HG1 GLU 89 8.292 8.001 -17.856 1415 H HIS 90 HN HIS 90 8.822 5.498 -21.392 1416 HA HIS 90 HA HIS 90 8.796 3.826 -23.047 1417 1HB HIS 90 HB2 HIS 90 7.477 2.441 -20.701 1418 2HB HIS 90 HB1 HIS 90 7.956 1.603 -22.177 1419 HD1 HIS 90 HD1 HIS 90 10.487 1.306 -22.629 1420 HD2 HIS 90 HD2 HIS 90 9.663 3.324 -19.071 1421 HE1 HIS 90 HE1 HIS 90 12.671 1.427 -21.349 1422 HE2 HIS 90 HE2 HIS 90 12.182 2.654 -19.184 1423 H GLU 91 HN GLU 91 7.391 4.801 -24.542 1424 HA GLU 91 HA GLU 91 5.485 4.974 -25.881 1425 1HB GLU 91 HB2 GLU 91 5.732 2.450 -25.791 1426 2HB GLU 91 HB1 GLU 91 4.554 2.456 -24.479 1427 1HG GLU 91 HG2 GLU 91 3.331 2.058 -26.508 1428 2HG GLU 91 HG1 GLU 91 2.987 3.717 -26.017 No H/Q in entry = 1428 Start of MODEL 16 1 1H MET 0 HT2 MET 0 1.453 -15.564 -13.678 2 2H MET 0 HT1 MET 0 2.492 -16.909 -13.674 3 3H MET 0 HT3 MET 0 0.811 -17.137 -13.669 4 HA MET 0 HA MET 0 0.993 -17.348 -11.469 5 1HB MET 0 HB2 MET 0 3.523 -17.462 -11.883 6 2HB MET 0 HB1 MET 0 3.562 -15.746 -11.482 7 1HG MET 0 HG2 MET 0 4.036 -16.961 -9.456 8 2HG MET 0 HG1 MET 0 2.401 -16.325 -9.305 9 1HE MET 0 HE3 MET 0 4.676 -19.230 -9.092 10 2HE MET 0 HE2 MET 0 3.813 -20.633 -9.716 11 3HE MET 0 HE1 MET 0 4.354 -19.375 -10.825 12 H SER 1 HN SER 1 0.507 -15.976 -9.577 13 HA SER 1 HA SER 1 -0.632 -13.402 -10.408 14 1HB SER 1 HB2 SER 1 -2.024 -14.534 -8.894 15 2HB SER 1 HB1 SER 1 -0.674 -15.037 -7.880 16 HG SER 1 HG SER 1 -1.789 -13.325 -6.919 17 H GLU 2 HN GLU 2 0.895 -11.835 -10.687 18 HA GLU 2 HA GLU 2 3.291 -11.607 -9.095 19 1HB GLU 2 HB2 GLU 2 1.873 -9.681 -10.956 20 2HB GLU 2 HB1 GLU 2 3.423 -9.326 -10.190 21 1HG GLU 2 HG2 GLU 2 4.414 -11.321 -11.229 22 2HG GLU 2 HG1 GLU 2 2.863 -11.718 -11.969 23 H LEU 3 HN LEU 3 0.106 -10.057 -8.997 24 HA LEU 3 HA LEU 3 0.672 -8.080 -7.043 25 1HB LEU 3 HB2 LEU 3 -1.417 -8.157 -8.378 26 2HB LEU 3 HB1 LEU 3 -1.906 -9.612 -7.518 27 HG LEU 3 HG LEU 3 -1.847 -8.296 -5.371 28 1HD1 LEU 3 HD13 LEU 3 -1.182 -6.092 -7.328 29 2HD1 LEU 3 HD12 LEU 3 -2.011 -5.730 -5.815 30 3HD1 LEU 3 HD11 LEU 3 -0.412 -6.466 -5.787 31 1HD2 LEU 3 HD22 LEU 3 -3.643 -7.416 -7.645 32 2HD2 LEU 3 HD21 LEU 3 -3.981 -8.634 -6.415 33 3HD2 LEU 3 HD23 LEU 3 -3.914 -6.929 -5.972 34 H GLU 4 HN GLU 4 -0.537 -11.428 -6.617 35 HA GLU 4 HA GLU 4 -0.726 -11.341 -3.779 36 1HB GLU 4 HB2 GLU 4 -1.675 -13.157 -5.158 37 2HB GLU 4 HB1 GLU 4 -0.047 -13.706 -5.553 38 1HG GLU 4 HG2 GLU 4 0.402 -14.183 -3.202 39 2HG GLU 4 HG1 GLU 4 -1.174 -13.534 -2.745 40 H LYS 5 HN LYS 5 1.975 -12.460 -5.842 41 HA LYS 5 HA LYS 5 3.781 -13.049 -3.715 42 1HB LYS 5 HB2 LYS 5 4.174 -13.770 -6.041 43 2HB LYS 5 HB1 LYS 5 4.384 -12.089 -6.527 44 1HG LYS 5 HG2 LYS 5 6.360 -11.863 -5.160 45 2HG LYS 5 HG1 LYS 5 6.086 -13.435 -4.414 46 1HD LYS 5 HD2 LYS 5 7.797 -13.738 -6.080 47 2HD LYS 5 HD1 LYS 5 6.323 -14.469 -6.714 48 1HE LYS 5 HE2 LYS 5 5.918 -12.621 -8.171 49 2HE LYS 5 HE1 LYS 5 7.113 -11.616 -7.351 50 1HZ LYS 5 HZ3 LYS 5 8.444 -13.897 -8.143 51 2HZ LYS 5 HZ2 LYS 5 7.475 -13.461 -9.469 52 3HZ LYS 5 HZ1 LYS 5 8.579 -12.346 -8.818 53 H ALA 6 HN ALA 6 3.244 -10.058 -5.557 54 HA ALA 6 HA ALA 6 5.338 -8.557 -4.329 55 1HB ALA 6 HB3 ALA 6 2.794 -7.780 -5.746 56 2HB ALA 6 HB2 ALA 6 3.869 -6.561 -5.059 57 3HB ALA 6 HB1 ALA 6 4.457 -7.649 -6.316 58 H MET 7 HN MET 7 1.919 -8.995 -3.398 59 HA MET 7 HA MET 7 1.861 -7.043 -1.324 60 1HB MET 7 HB2 MET 7 -0.162 -8.218 -2.153 61 2HB MET 7 HB1 MET 7 0.427 -9.719 -1.442 62 1HG MET 7 HG2 MET 7 0.362 -8.685 0.805 63 2HG MET 7 HG1 MET 7 -0.225 -7.183 0.094 64 1HE MET 7 HE2 MET 7 -2.445 -6.804 -0.967 65 2HE MET 7 HE1 MET 7 -3.852 -7.514 -0.180 66 3HE MET 7 HE3 MET 7 -2.605 -6.713 0.786 67 H VAL 8 HN VAL 8 2.861 -10.461 -1.271 68 HA VAL 8 HA VAL 8 3.385 -10.535 1.559 69 HB VAL 8 HB VAL 8 4.559 -12.224 -0.669 70 1HG1 VAL 8 HG12 VAL 8 4.584 -12.470 2.348 71 2HG1 VAL 8 HG11 VAL 8 4.873 -13.849 1.286 72 3HG1 VAL 8 HG13 VAL 8 5.964 -12.463 1.249 73 1HG2 VAL 8 HG23 VAL 8 2.201 -12.664 1.195 74 2HG2 VAL 8 HG22 VAL 8 2.106 -12.366 -0.542 75 3HG2 VAL 8 HG21 VAL 8 2.829 -13.858 0.059 76 H ALA 9 HN ALA 9 5.381 -9.709 -1.255 77 HA ALA 9 HA ALA 9 7.916 -9.708 -0.061 78 1HB ALA 9 HB2 ALA 9 7.545 -9.261 -2.457 79 2HB ALA 9 HB1 ALA 9 6.839 -7.696 -2.056 80 3HB ALA 9 HB3 ALA 9 8.544 -8.005 -1.727 81 H LEU 10 HN LEU 10 5.442 -7.126 0.063 82 HA LEU 10 HA LEU 10 7.071 -5.242 1.463 83 1HB LEU 10 HB2 LEU 10 4.097 -5.685 1.247 84 2HB LEU 10 HB1 LEU 10 4.713 -4.506 2.404 85 HG LEU 10 HG LEU 10 5.967 -3.399 0.550 86 1HD1 LEU 10 HD13 LEU 10 4.506 -5.485 -1.087 87 2HD1 LEU 10 HD12 LEU 10 5.203 -4.025 -1.789 88 3HD1 LEU 10 HD11 LEU 10 6.245 -5.210 -1.003 89 1HD2 LEU 10 HD22 LEU 10 3.670 -2.682 1.255 90 2HD2 LEU 10 HD21 LEU 10 4.014 -2.332 -0.439 91 3HD2 LEU 10 HD23 LEU 10 3.003 -3.711 -0.012 92 H ILE 11 HN ILE 11 4.971 -7.872 2.645 93 HA ILE 11 HA ILE 11 5.399 -7.323 5.438 94 HB ILE 11 HB ILE 11 4.699 -9.903 4.003 95 1HG1 ILE 11 HG12 ILE 11 3.004 -8.173 3.685 96 2HG1 ILE 11 HG11 ILE 11 2.391 -9.392 4.796 97 1HG2 ILE 11 HG22 ILE 11 4.832 -9.208 6.933 98 2HG2 ILE 11 HG21 ILE 11 3.776 -10.490 6.342 99 3HG2 ILE 11 HG23 ILE 11 5.519 -10.600 6.096 100 1HD1 ILE 11 HD13 ILE 11 3.406 -7.742 6.631 101 2HD1 ILE 11 HD12 ILE 11 3.194 -6.559 5.343 102 3HD1 ILE 11 HD11 ILE 11 1.808 -7.466 5.943 103 H ASP 12 HN ASP 12 7.034 -9.500 3.145 104 HA ASP 12 HA ASP 12 8.836 -10.675 5.003 105 1HB ASP 12 HB2 ASP 12 8.517 -11.527 2.713 106 2HB ASP 12 HB1 ASP 12 9.273 -10.069 2.066 107 H VAL 13 HN VAL 13 9.269 -7.816 2.911 108 HA VAL 13 HA VAL 13 11.913 -7.221 3.887 109 HB VAL 13 HB VAL 13 9.838 -5.454 2.558 110 1HG1 VAL 13 HG11 VAL 13 12.767 -5.051 3.182 111 2HG1 VAL 13 HG13 VAL 13 11.940 -4.141 1.918 112 3HG1 VAL 13 HG12 VAL 13 11.412 -3.999 3.594 113 1HG2 VAL 13 HG22 VAL 13 10.581 -7.465 1.269 114 2HG2 VAL 13 HG21 VAL 13 11.068 -5.949 0.510 115 3HG2 VAL 13 HG23 VAL 13 12.246 -6.901 1.413 116 H PHE 14 HN PHE 14 8.699 -5.907 4.659 117 HA PHE 14 HA PHE 14 9.550 -3.981 6.560 118 1HB PHE 14 HB2 PHE 14 7.263 -4.068 5.641 119 2HB PHE 14 HB1 PHE 14 6.973 -5.578 6.507 120 HD1 PHE 14 HD2 PHE 14 6.769 -5.620 8.948 121 HD2 PHE 14 HD1 PHE 14 7.434 -1.948 6.824 122 HE1 PHE 14 HE2 PHE 14 6.174 -4.334 10.985 123 HE2 PHE 14 HE1 PHE 14 6.841 -0.662 8.858 124 HZ PHE 14 HZ PHE 14 6.210 -1.854 10.939 125 H HIS 15 HN HIS 15 8.490 -7.358 7.077 126 HA HIS 15 HA HIS 15 8.789 -7.371 9.897 127 1HB HIS 15 HB2 HIS 15 7.611 -9.140 8.685 128 2HB HIS 15 HB1 HIS 15 9.120 -9.652 7.928 129 HD1 HIS 15 HD1 HIS 15 10.830 -10.922 9.392 130 HD2 HIS 15 HD2 HIS 15 7.362 -9.852 11.450 131 HE1 HIS 15 HE1 HIS 15 10.885 -12.178 11.592 132 HE2 HIS 15 HE2 HIS 15 8.781 -11.534 12.852 133 H GLN 16 HN GLN 16 11.190 -8.144 7.362 134 HA GLN 16 HA GLN 16 13.240 -9.068 9.104 135 1HB GLN 16 HB2 GLN 16 13.222 -9.203 6.577 136 2HB GLN 16 HB1 GLN 16 13.658 -7.495 6.551 137 1HG GLN 16 HG2 GLN 16 15.718 -8.685 6.377 138 2HG GLN 16 HG1 GLN 16 15.641 -8.119 8.045 139 1HE2 GLN 16 HE22 GLN 16 15.639 -12.102 7.267 140 2HE2 GLN 16 HE21 GLN 16 15.701 -10.958 6.014 141 H TYR 17 HN TYR 17 12.806 -5.778 7.747 142 HA TYR 17 HA TYR 17 14.915 -4.661 9.389 143 1HB TYR 17 HB2 TYR 17 12.807 -3.577 7.548 144 2HB TYR 17 HB1 TYR 17 13.575 -2.451 8.664 145 HD1 TYR 17 HD1 TYR 17 14.564 -5.255 6.355 146 HD2 TYR 17 HD2 TYR 17 15.486 -1.351 7.899 147 HE1 TYR 17 HE1 TYR 17 16.532 -5.119 4.849 148 HE2 TYR 17 HE2 TYR 17 17.450 -1.219 6.397 149 HH TYR 17 HH TYR 17 18.940 -2.707 5.186 150 H SER 18 HN SER 18 11.370 -4.764 9.682 151 HA SER 18 HA SER 18 11.146 -3.006 11.900 152 1HB SER 18 HB2 SER 18 9.471 -5.446 11.240 153 2HB SER 18 HB1 SER 18 9.004 -4.153 12.339 154 HG SER 18 HG SER 18 8.826 -4.259 9.664 155 H GLY 19 HN GLY 19 11.750 -6.510 11.797 156 1HA GLY 19 HA2 GLY 19 11.875 -6.695 14.721 157 2HA GLY 19 HA1 GLY 19 12.189 -8.004 13.583 158 H ARG 20 HN ARG 20 13.783 -4.836 13.442 159 HA ARG 20 HA ARG 20 16.376 -5.981 13.169 160 1HB ARG 20 HB2 ARG 20 15.694 -3.598 12.608 161 2HB ARG 20 HB1 ARG 20 15.777 -3.248 14.333 162 1HG ARG 20 HG2 ARG 20 18.141 -3.975 14.354 163 2HG ARG 20 HG1 ARG 20 18.056 -4.283 12.621 164 1HD ARG 20 HD2 ARG 20 17.430 -1.913 12.250 165 2HD ARG 20 HD1 ARG 20 17.603 -1.598 13.970 166 HE ARG 20 HE ARG 20 19.700 -1.642 11.996 167 1HH1 ARG 20 HH21 ARG 20 19.046 -2.754 15.207 168 2HH1 ARG 20 HH22 ARG 20 20.721 -2.897 15.621 169 1HH2 ARG 20 HH11 ARG 20 21.860 -1.792 12.545 170 2HH2 ARG 20 HH12 ARG 20 22.308 -2.336 14.127 171 H GLU 21 HN GLU 21 15.117 -4.207 16.023 172 HA GLU 21 HA GLU 21 15.849 -6.170 17.955 173 1HB GLU 21 HB2 GLU 21 18.181 -5.550 17.223 174 2HB GLU 21 HB1 GLU 21 17.853 -3.900 17.740 175 1HG GLU 21 HG2 GLU 21 17.425 -4.699 20.033 176 2HG GLU 21 HG1 GLU 21 17.741 -6.356 19.514 177 H GLY 22 HN GLY 22 14.955 -5.561 19.935 178 1HA GLY 22 HA2 GLY 22 13.844 -4.217 21.511 179 2HA GLY 22 HA1 GLY 22 14.686 -2.836 20.807 180 H ASP 23 HN ASP 23 13.726 -2.688 18.264 181 HA ASP 23 HA ASP 23 10.905 -1.916 18.720 182 1HB ASP 23 HB2 ASP 23 11.183 -0.992 16.347 183 2HB ASP 23 HB1 ASP 23 12.189 -0.256 17.590 184 H LYS 24 HN LYS 24 9.353 -3.432 18.338 185 HA LYS 24 HA LYS 24 9.933 -5.693 16.512 186 1HB LYS 24 HB2 LYS 24 7.670 -5.111 18.432 187 2HB LYS 24 HB1 LYS 24 7.735 -6.545 17.405 188 1HG LYS 24 HG2 LYS 24 9.898 -7.172 18.404 189 2HG LYS 24 HG1 LYS 24 9.838 -5.741 19.434 190 1HD LYS 24 HD2 LYS 24 7.752 -6.565 20.462 191 2HD LYS 24 HD1 LYS 24 7.812 -7.999 19.436 192 1HE LYS 24 HE2 LYS 24 9.892 -7.189 21.491 193 2HE LYS 24 HE1 LYS 24 8.739 -8.516 21.646 194 1HZ LYS 24 HZ3 LYS 24 9.790 -9.251 19.401 195 2HZ LYS 24 HZ2 LYS 24 11.098 -8.293 19.911 196 3HZ LYS 24 HZ1 LYS 24 10.578 -9.601 20.861 197 H HIS 25 HN HIS 25 6.778 -4.128 16.986 198 HA HIS 25 HA HIS 25 6.459 -4.029 14.011 199 1HB HIS 25 HB2 HIS 25 4.448 -4.148 16.271 200 2HB HIS 25 HB1 HIS 25 3.998 -3.840 14.593 201 HD1 HIS 25 HD1 HIS 25 5.018 -5.756 12.850 202 HD2 HIS 25 HD2 HIS 25 4.537 -6.850 16.847 203 HE1 HIS 25 HE1 HIS 25 5.022 -8.290 12.906 204 HE2 HIS 25 HE2 HIS 25 4.731 -8.966 15.334 205 H LYS 26 HN LYS 26 7.735 -2.014 15.914 206 HA LYS 26 HA LYS 26 6.197 0.361 14.939 207 1HB LYS 26 HB2 LYS 26 6.846 1.493 17.101 208 2HB LYS 26 HB1 LYS 26 5.651 0.216 17.276 209 1HG LYS 26 HG2 LYS 26 7.043 -0.560 18.935 210 2HG LYS 26 HG1 LYS 26 7.975 -1.232 17.611 211 1HD LYS 26 HD2 LYS 26 9.457 -0.007 19.093 212 2HD LYS 26 HD1 LYS 26 9.356 0.830 17.547 213 1HE LYS 26 HE2 LYS 26 8.985 2.037 20.014 214 2HE LYS 26 HE1 LYS 26 8.399 2.688 18.485 215 1HZ LYS 26 HZ2 LYS 26 6.874 0.879 20.283 216 2HZ LYS 26 HZ1 LYS 26 6.650 2.558 20.150 217 3HZ LYS 26 HZ3 LYS 26 6.308 1.551 18.829 218 H LEU 27 HN LEU 27 7.539 2.214 14.553 219 HA LEU 27 HA LEU 27 10.467 1.575 14.278 220 1HB LEU 27 HB2 LEU 27 8.809 3.425 12.543 221 2HB LEU 27 HB1 LEU 27 10.473 2.920 12.263 222 HG LEU 27 HG LEU 27 8.069 1.064 12.295 223 1HD1 LEU 27 HD13 LEU 27 9.744 2.138 10.001 224 2HD1 LEU 27 HD12 LEU 27 8.480 0.916 9.851 225 3HD1 LEU 27 HD11 LEU 27 8.065 2.558 10.341 226 1HD2 LEU 27 HD23 LEU 27 11.028 0.656 11.811 227 2HD2 LEU 27 HD22 LEU 27 9.979 -0.213 12.932 228 3HD2 LEU 27 HD21 LEU 27 9.826 -0.478 11.199 229 H LYS 28 HN LYS 28 11.861 3.023 15.170 230 HA LYS 28 HA LYS 28 10.698 5.332 16.638 231 1HB LYS 28 HB2 LYS 28 13.441 4.040 16.692 232 2HB LYS 28 HB1 LYS 28 13.007 5.461 17.644 233 1HG LYS 28 HG2 LYS 28 11.091 4.104 18.605 234 2HG LYS 28 HG1 LYS 28 11.794 2.690 17.823 235 1HD LYS 28 HD2 LYS 28 13.246 4.463 19.813 236 2HD LYS 28 HD1 LYS 28 12.497 2.919 20.209 237 1HE LYS 28 HE2 LYS 28 14.865 3.422 18.400 238 2HE LYS 28 HE1 LYS 28 14.798 2.430 19.851 239 1HZ LYS 28 HZ3 LYS 28 13.174 1.000 18.662 240 2HZ LYS 28 HZ2 LYS 28 13.489 1.885 17.247 241 3HZ LYS 28 HZ1 LYS 28 14.730 0.990 17.985 242 H LYS 29 HN LYS 29 12.263 7.359 16.601 243 HA LYS 29 HA LYS 29 12.261 8.392 13.949 244 1HB LYS 29 HB2 LYS 29 13.485 10.286 14.850 245 2HB LYS 29 HB1 LYS 29 12.294 9.775 16.045 246 1HG LYS 29 HG2 LYS 29 14.117 8.396 17.136 247 2HG LYS 29 HG1 LYS 29 15.267 9.169 16.052 248 1HD LYS 29 HD2 LYS 29 13.417 10.814 17.784 249 2HD LYS 29 HD1 LYS 29 14.943 10.199 18.409 250 1HE LYS 29 HE2 LYS 29 15.440 12.378 17.605 251 2HE LYS 29 HE1 LYS 29 16.049 11.295 16.359 252 1HZ LYS 29 HZ2 LYS 29 13.341 11.852 15.856 253 2HZ LYS 29 HZ1 LYS 29 14.159 13.322 16.097 254 3HZ LYS 29 HZ3 LYS 29 14.695 12.240 14.906 255 H SER 30 HN SER 30 14.871 6.908 15.863 256 HA SER 30 HA SER 30 16.905 7.371 13.862 257 1HB SER 30 HB2 SER 30 17.456 6.902 16.223 258 2HB SER 30 HB1 SER 30 16.774 5.286 16.064 259 HG SER 30 HG SER 30 18.486 4.672 14.976 260 H GLU 31 HN GLU 31 14.864 4.560 14.669 261 HA GLU 31 HA GLU 31 15.904 2.836 12.635 262 1HB GLU 31 HB2 GLU 31 14.511 2.083 14.579 263 2HB GLU 31 HB1 GLU 31 13.112 2.839 13.823 264 1HG GLU 31 HG2 GLU 31 12.941 0.586 13.154 265 2HG GLU 31 HG1 GLU 31 13.684 1.357 11.759 266 H LEU 32 HN LEU 32 13.225 5.158 12.649 267 HA LEU 32 HA LEU 32 12.126 4.494 10.128 268 1HB LEU 32 HB2 LEU 32 11.035 5.992 11.759 269 2HB LEU 32 HB1 LEU 32 12.289 7.195 11.514 270 HG LEU 32 HG LEU 32 10.116 7.625 10.286 271 1HD1 LEU 32 HD11 LEU 32 12.632 8.276 9.516 272 2HD1 LEU 32 HD13 LEU 32 12.129 7.342 8.107 273 3HD1 LEU 32 HD12 LEU 32 11.195 8.743 8.616 274 1HD2 LEU 32 HD21 LEU 32 9.889 5.119 9.699 275 2HD2 LEU 32 HD23 LEU 32 9.442 6.293 8.463 276 3HD2 LEU 32 HD22 LEU 32 10.996 5.468 8.370 277 H LYS 33 HN LYS 33 14.616 6.941 10.921 278 HA LYS 33 HA LYS 33 15.054 7.791 8.232 279 1HB LYS 33 HB2 LYS 33 15.868 8.970 10.291 280 2HB LYS 33 HB1 LYS 33 17.074 7.700 10.488 281 1HG LYS 33 HG2 LYS 33 18.017 8.240 8.275 282 2HG LYS 33 HG1 LYS 33 16.811 9.514 8.073 283 1HD LYS 33 HD2 LYS 33 17.672 10.653 10.082 284 2HD LYS 33 HD1 LYS 33 18.879 9.385 10.288 285 1HE LYS 33 HE2 LYS 33 19.740 9.949 7.984 286 2HE LYS 33 HE1 LYS 33 18.652 11.339 7.985 287 1HZ LYS 33 HZ3 LYS 33 20.701 10.814 10.067 288 2HZ LYS 33 HZ2 LYS 33 20.923 11.866 8.751 289 3HZ LYS 33 HZ1 LYS 33 19.735 12.200 9.919 290 H GLU 34 HN GLU 34 16.560 5.206 10.153 291 HA GLU 34 HA GLU 34 18.560 4.475 8.255 292 1HB GLU 34 HB2 GLU 34 18.466 3.705 10.640 293 2HB GLU 34 HB1 GLU 34 17.131 2.642 10.196 294 1HG GLU 34 HG2 GLU 34 18.536 1.443 8.621 295 2HG GLU 34 HG1 GLU 34 19.862 2.576 8.886 296 H LEU 35 HN LEU 35 15.193 3.397 8.639 297 HA LEU 35 HA LEU 35 15.265 1.305 6.717 298 1HB LEU 35 HB2 LEU 35 13.382 1.633 8.257 299 2HB LEU 35 HB1 LEU 35 12.967 3.143 7.455 300 HG LEU 35 HG LEU 35 13.183 0.768 5.648 301 1HD1 LEU 35 HD13 LEU 35 10.926 1.017 7.655 302 2HD1 LEU 35 HD12 LEU 35 10.927 -0.059 6.257 303 3HD1 LEU 35 HD11 LEU 35 12.097 -0.298 7.554 304 1HD2 LEU 35 HD23 LEU 35 11.197 3.045 5.993 305 2HD2 LEU 35 HD22 LEU 35 12.396 2.857 4.713 306 3HD2 LEU 35 HD21 LEU 35 11.015 1.766 4.794 307 H ILE 36 HN ILE 36 14.412 4.754 6.288 308 HA ILE 36 HA ILE 36 13.970 4.522 3.461 309 HB ILE 36 HB ILE 36 14.767 6.929 5.120 310 1HG1 ILE 36 HG12 ILE 36 12.056 6.093 4.040 311 2HG1 ILE 36 HG11 ILE 36 12.597 5.756 5.684 312 1HG2 ILE 36 HG22 ILE 36 13.984 6.592 2.225 313 2HG2 ILE 36 HG21 ILE 36 13.601 8.089 3.074 314 3HG2 ILE 36 HG23 ILE 36 15.278 7.570 2.918 315 1HD1 ILE 36 HD13 ILE 36 13.048 8.300 5.852 316 2HD1 ILE 36 HD12 ILE 36 12.048 8.432 4.405 317 3HD1 ILE 36 HD11 ILE 36 11.369 7.765 5.889 318 H ASN 37 HN ASN 37 16.882 5.331 5.356 319 HA ASN 37 HA ASN 37 18.488 6.093 3.154 320 1HB ASN 37 HB2 ASN 37 19.220 4.807 5.788 321 2HB ASN 37 HB1 ASN 37 20.424 5.359 4.623 322 1HD2 ASN 37 HD22 ASN 37 18.358 8.679 5.273 323 2HD2 ASN 37 HD21 ASN 37 17.918 7.465 4.173 324 H ASN 38 HN ASN 38 18.162 2.844 4.648 325 HA ASN 38 HA ASN 38 19.810 1.650 2.545 326 1HB ASN 38 HB2 ASN 38 19.688 0.788 4.916 327 2HB ASN 38 HB1 ASN 38 18.059 0.218 4.555 328 1HD2 ASN 38 HD22 ASN 38 21.276 -1.818 3.104 329 2HD2 ASN 38 HD21 ASN 38 21.482 -0.375 3.973 330 H GLU 39 HN GLU 39 16.336 1.742 3.318 331 HA GLU 39 HA GLU 39 15.760 0.335 0.730 332 1HB GLU 39 HB2 GLU 39 14.021 0.783 3.173 333 2HB GLU 39 HB1 GLU 39 13.520 -0.062 1.710 334 1HG GLU 39 HG2 GLU 39 15.313 -1.715 2.038 335 2HG GLU 39 HG1 GLU 39 15.827 -0.874 3.501 336 H LEU 40 HN LEU 40 13.991 1.170 -0.560 337 HA LEU 40 HA LEU 40 12.875 2.897 -1.672 338 1HB LEU 40 HB2 LEU 40 11.970 3.029 0.824 339 2HB LEU 40 HB1 LEU 40 12.896 4.523 0.866 340 HG LEU 40 HG LEU 40 11.664 5.086 -1.371 341 1HD1 LEU 40 HD13 LEU 40 9.970 2.834 -0.254 342 2HD1 LEU 40 HD12 LEU 40 9.302 4.075 -1.309 343 3HD1 LEU 40 HD11 LEU 40 10.586 3.023 -1.895 344 1HD2 LEU 40 HD21 LEU 40 10.166 5.019 1.270 345 2HD2 LEU 40 HD23 LEU 40 11.299 6.271 0.763 346 3HD2 LEU 40 HD22 LEU 40 9.776 6.060 -0.100 347 H SER 41 HN SER 41 15.903 2.941 -0.798 348 HA SER 41 HA SER 41 16.667 5.721 -0.890 349 1HB SER 41 HB2 SER 41 18.908 4.918 -1.007 350 2HB SER 41 HB1 SER 41 18.047 3.741 -0.019 351 HG SER 41 HG SER 41 17.687 2.663 -2.164 352 H HIS 42 HN HIS 42 16.337 3.166 -3.330 353 HA HIS 42 HA HIS 42 17.446 4.705 -5.496 354 1HB HIS 42 HB2 HIS 42 15.490 2.383 -5.508 355 2HB HIS 42 HB1 HIS 42 16.303 3.017 -6.939 356 HD1 HIS 42 HD1 HIS 42 19.132 3.317 -6.228 357 HD2 HIS 42 HD2 HIS 42 16.889 0.154 -4.691 358 HE1 HIS 42 HE1 HIS 42 20.792 1.539 -5.514 359 HE2 HIS 42 HE2 HIS 42 19.437 -0.395 -4.587 360 H PHE 43 HN PHE 43 14.130 4.215 -4.310 361 HA PHE 43 HA PHE 43 12.911 5.761 -6.422 362 1HB PHE 43 HB2 PHE 43 11.949 4.001 -4.604 363 2HB PHE 43 HB1 PHE 43 11.518 5.496 -3.781 364 HD1 PHE 43 HD2 PHE 43 11.087 3.515 -6.880 365 HD2 PHE 43 HD1 PHE 43 9.781 6.945 -4.648 366 HE1 PHE 43 HE2 PHE 43 9.144 3.758 -8.398 367 HE2 PHE 43 HE1 PHE 43 7.833 7.188 -6.167 368 HZ PHE 43 HZ PHE 43 7.516 5.593 -8.043 369 H LEU 44 HN LEU 44 13.969 6.535 -3.114 370 HA LEU 44 HA LEU 44 13.504 9.447 -3.710 371 1HB LEU 44 HB2 LEU 44 12.008 8.509 -1.929 372 2HB LEU 44 HB1 LEU 44 13.439 8.062 -1.011 373 HG LEU 44 HG LEU 44 14.123 10.521 -1.087 374 1HD1 LEU 44 HD13 LEU 44 11.352 10.696 -2.274 375 2HD1 LEU 44 HD12 LEU 44 12.032 12.041 -1.360 376 3HD1 LEU 44 HD11 LEU 44 12.836 11.474 -2.821 377 1HD2 LEU 44 HD21 LEU 44 11.625 9.578 0.326 378 2HD2 LEU 44 HD23 LEU 44 13.267 9.660 0.960 379 3HD2 LEU 44 HD22 LEU 44 12.364 11.144 0.661 380 H GLU 45 HN GLU 45 15.170 10.880 -3.063 381 HA GLU 45 HA GLU 45 17.831 9.733 -2.973 382 1HB GLU 45 HB2 GLU 45 18.590 12.072 -2.706 383 2HB GLU 45 HB1 GLU 45 17.416 11.934 -4.014 384 1HG GLU 45 HG2 GLU 45 15.631 12.734 -2.530 385 2HG GLU 45 HG1 GLU 45 16.765 12.821 -1.182 386 H GLU 46 HN GLU 46 19.290 9.768 -1.158 387 HA GLU 46 HA GLU 46 18.051 9.190 1.372 388 1HB GLU 46 HB2 GLU 46 20.927 9.722 0.599 389 2HB GLU 46 HB1 GLU 46 20.440 9.282 2.235 390 1HG GLU 46 HG2 GLU 46 19.452 7.203 1.405 391 2HG GLU 46 HG1 GLU 46 19.866 7.638 -0.248 392 H ILE 47 HN ILE 47 18.015 10.418 3.281 393 HA ILE 47 HA ILE 47 18.067 13.355 2.862 394 HB ILE 47 HB ILE 47 17.055 11.635 5.146 395 1HG1 ILE 47 HG12 ILE 47 15.518 13.315 3.148 396 2HG1 ILE 47 HG11 ILE 47 15.847 11.600 2.902 397 1HG2 ILE 47 HG23 ILE 47 17.196 14.623 4.743 398 2HG2 ILE 47 HG22 ILE 47 15.905 13.913 5.713 399 3HG2 ILE 47 HG21 ILE 47 17.588 13.680 6.181 400 1HD1 ILE 47 HD13 ILE 47 14.535 12.630 5.422 401 2HD1 ILE 47 HD12 ILE 47 13.600 12.190 3.992 402 3HD1 ILE 47 HD11 ILE 47 14.579 10.975 4.812 403 H LYS 48 HN LYS 48 19.680 14.616 3.670 404 HA LYS 48 HA LYS 48 21.787 13.302 5.323 405 1HB LYS 48 HB2 LYS 48 21.757 15.861 3.704 406 2HB LYS 48 HB1 LYS 48 23.127 15.316 4.674 407 1HG LYS 48 HG2 LYS 48 23.305 13.269 3.371 408 2HG LYS 48 HG1 LYS 48 21.841 13.669 2.479 409 1HD LYS 48 HD2 LYS 48 23.671 14.265 1.056 410 2HD LYS 48 HD1 LYS 48 23.026 15.776 1.691 411 1HE LYS 48 HE2 LYS 48 24.816 16.005 3.248 412 2HE LYS 48 HE1 LYS 48 25.336 14.336 3.013 413 1HZ LYS 48 HZ3 LYS 48 25.262 15.831 0.574 414 2HZ LYS 48 HZ2 LYS 48 26.317 16.514 1.716 415 3HZ LYS 48 HZ1 LYS 48 26.516 14.898 1.232 416 H GLU 49 HN GLU 49 19.210 15.588 5.609 417 HA GLU 49 HA GLU 49 20.374 16.656 8.165 418 1HB GLU 49 HB2 GLU 49 18.279 17.766 6.286 419 2HB GLU 49 HB1 GLU 49 18.539 18.408 7.905 420 1HG GLU 49 HG2 GLU 49 19.872 19.773 6.490 421 2HG GLU 49 HG1 GLU 49 21.013 18.660 7.235 422 H GLN 50 HN GLN 50 19.461 16.092 10.032 423 HA GLN 50 HA GLN 50 17.313 14.165 10.149 424 1HB GLN 50 HB2 GLN 50 18.686 15.840 12.266 425 2HB GLN 50 HB1 GLN 50 17.456 14.631 12.635 426 1HG GLN 50 HG2 GLN 50 18.833 12.894 11.553 427 2HG GLN 50 HG1 GLN 50 20.068 14.101 11.186 428 1HE2 GLN 50 HE22 GLN 50 20.066 14.420 15.083 429 2HE2 GLN 50 HE21 GLN 50 19.147 15.325 13.979 430 H GLU 51 HN GLU 51 17.480 17.659 10.307 431 HA GLU 51 HA GLU 51 15.034 18.186 11.644 432 1HB GLU 51 HB2 GLU 51 16.707 19.930 11.140 433 2HB GLU 51 HB1 GLU 51 16.348 19.779 9.420 434 1HG GLU 51 HG2 GLU 51 14.061 20.518 9.777 435 2HG GLU 51 HG1 GLU 51 14.300 20.529 11.525 436 H VAL 52 HN VAL 52 15.672 17.533 8.199 437 HA VAL 52 HA VAL 52 13.027 18.054 7.263 438 HB VAL 52 HB VAL 52 15.139 16.112 6.279 439 1HG1 VAL 52 HG13 VAL 52 12.435 16.854 5.150 440 2HG1 VAL 52 HG12 VAL 52 13.741 16.273 4.116 441 3HG1 VAL 52 HG11 VAL 52 13.110 15.245 5.403 442 1HG2 VAL 52 HG21 VAL 52 15.554 18.629 6.246 443 2HG2 VAL 52 HG23 VAL 52 15.662 17.822 4.683 444 3HG2 VAL 52 HG22 VAL 52 14.218 18.746 5.101 445 H VAL 53 HN VAL 53 14.518 15.085 8.561 446 HA VAL 53 HA VAL 53 12.264 13.378 8.197 447 HB VAL 53 HB VAL 53 14.452 13.337 10.300 448 1HG1 VAL 53 HG13 VAL 53 12.289 11.331 9.621 449 2HG1 VAL 53 HG12 VAL 53 13.761 10.890 10.488 450 3HG1 VAL 53 HG11 VAL 53 12.637 12.052 11.192 451 1HG2 VAL 53 HG22 VAL 53 14.054 11.798 7.713 452 2HG2 VAL 53 HG21 VAL 53 15.251 13.062 7.991 453 3HG2 VAL 53 HG23 VAL 53 15.367 11.531 8.859 454 H ASP 54 HN ASP 54 13.162 15.536 10.880 455 HA ASP 54 HA ASP 54 11.096 14.774 12.671 456 1HB ASP 54 HB2 ASP 54 12.964 16.205 13.359 457 2HB ASP 54 HB1 ASP 54 12.373 17.499 12.313 458 H LYS 55 HN LYS 55 11.089 17.433 10.262 459 HA LYS 55 HA LYS 55 8.420 18.260 10.827 460 1HB LYS 55 HB2 LYS 55 10.062 18.465 8.286 461 2HB LYS 55 HB1 LYS 55 8.492 19.245 8.503 462 1HG LYS 55 HG2 LYS 55 9.397 20.377 10.550 463 2HG LYS 55 HG1 LYS 55 10.981 19.700 10.173 464 1HD LYS 55 HD2 LYS 55 9.376 21.550 8.383 465 2HD LYS 55 HD1 LYS 55 10.798 22.002 9.323 466 1HE LYS 55 HE2 LYS 55 11.760 21.579 7.241 467 2HE LYS 55 HE1 LYS 55 11.926 19.997 8.003 468 1HZ LYS 55 HZ1 LYS 55 9.475 19.819 6.973 469 2HZ LYS 55 HZ3 LYS 55 10.200 20.841 5.830 470 3HZ LYS 55 HZ2 LYS 55 10.877 19.316 6.154 471 H VAL 56 HN VAL 56 9.694 15.825 8.585 472 HA VAL 56 HA VAL 56 7.217 15.196 7.308 473 HB VAL 56 HB VAL 56 9.689 13.523 7.845 474 1HG1 VAL 56 HG13 VAL 56 7.181 12.906 6.273 475 2HG1 VAL 56 HG12 VAL 56 8.718 12.108 5.934 476 3HG1 VAL 56 HG11 VAL 56 7.957 11.923 7.514 477 1HG2 VAL 56 HG21 VAL 56 9.802 15.576 6.340 478 2HG2 VAL 56 HG23 VAL 56 10.274 14.055 5.581 479 3HG2 VAL 56 HG22 VAL 56 8.681 14.742 5.264 480 H MET 57 HN MET 57 8.736 13.931 10.272 481 HA MET 57 HA MET 57 6.861 11.857 10.798 482 1HB MET 57 HB2 MET 57 9.004 12.111 12.016 483 2HB MET 57 HB1 MET 57 8.390 13.572 12.785 484 1HG MET 57 HG2 MET 57 8.127 11.699 14.323 485 2HG MET 57 HG1 MET 57 6.537 12.213 13.783 486 1HE MET 57 HE2 MET 57 9.486 10.126 13.368 487 2HE MET 57 HE1 MET 57 8.688 8.700 14.025 488 3HE MET 57 HE3 MET 57 9.077 8.788 12.304 489 H GLU 58 HN GLU 58 6.828 15.296 11.737 490 HA GLU 58 HA GLU 58 4.480 15.210 13.341 491 1HB GLU 58 HB2 GLU 58 5.693 17.405 11.653 492 2HB GLU 58 HB1 GLU 58 4.286 17.667 12.683 493 1HG GLU 58 HG2 GLU 58 5.579 16.912 14.644 494 2HG GLU 58 HG1 GLU 58 6.990 16.655 13.614 495 H THR 59 HN THR 59 4.873 15.672 9.845 496 HA THR 59 HA THR 59 2.148 16.265 9.268 497 HB THR 59 HB THR 59 4.192 14.847 7.531 498 HG1 THR 59 HG1 THR 59 4.052 17.239 6.750 499 1HG2 THR 59 HG21 THR 59 1.605 16.292 6.914 500 2HG2 THR 59 HG23 THR 59 2.803 15.869 5.691 501 3HG2 THR 59 HG22 THR 59 1.981 14.598 6.595 502 H LEU 60 HN LEU 60 3.884 13.160 9.412 503 HA LEU 60 HA LEU 60 1.466 11.650 8.750 504 1HB LEU 60 HB2 LEU 60 4.243 10.836 9.629 505 2HB LEU 60 HB1 LEU 60 2.962 9.669 9.299 506 HG LEU 60 HG LEU 60 3.640 11.768 7.235 507 1HD1 LEU 60 HD12 LEU 60 5.128 9.188 7.773 508 2HD1 LEU 60 HD11 LEU 60 5.178 10.020 6.219 509 3HD1 LEU 60 HD13 LEU 60 5.796 10.816 7.667 510 1HD2 LEU 60 HD22 LEU 60 2.563 8.926 7.128 511 2HD2 LEU 60 HD21 LEU 60 1.647 10.403 6.832 512 3HD2 LEU 60 HD23 LEU 60 2.911 9.911 5.709 513 H ASP 61 HN ASP 61 2.723 13.007 11.616 514 HA ASP 61 HA ASP 61 1.843 10.963 13.464 515 1HB ASP 61 HB2 ASP 61 2.426 13.913 13.800 516 2HB ASP 61 HB1 ASP 61 1.931 12.882 15.141 517 H GLU 62 HN GLU 62 -0.219 11.138 11.727 518 HA GLU 62 HA GLU 62 -2.271 13.020 12.344 519 1HB GLU 62 HB2 GLU 62 -2.424 10.180 11.291 520 2HB GLU 62 HB1 GLU 62 -3.805 11.274 11.370 521 1HG GLU 62 HG2 GLU 62 -1.231 11.966 9.933 522 2HG GLU 62 HG1 GLU 62 -2.616 11.226 9.130 523 H ASP 63 HN ASP 63 -1.495 9.838 13.750 524 HA ASP 63 HA ASP 63 -3.790 9.970 15.573 525 1HB ASP 63 HB2 ASP 63 -2.951 7.859 16.463 526 2HB ASP 63 HB1 ASP 63 -2.924 7.800 14.700 527 H GLY 64 HN GLY 64 -0.696 11.329 15.536 528 1HA GLY 64 HA2 GLY 64 0.464 12.546 17.172 529 2HA GLY 64 HA1 GLY 64 -1.009 12.484 18.138 530 H ASP 65 HN ASP 65 0.663 9.575 17.034 531 HA ASP 65 HA ASP 65 0.921 8.711 19.833 532 1HB ASP 65 HB2 ASP 65 1.758 6.598 18.839 533 2HB ASP 65 HB1 ASP 65 0.210 7.084 18.147 534 H GLY 66 HN GLY 66 2.850 10.447 17.660 535 1HA GLY 66 HA2 GLY 66 5.038 11.268 17.944 536 2HA GLY 66 HA1 GLY 66 5.088 10.446 19.502 537 H GLU 67 HN GLU 67 4.185 8.244 17.122 538 HA GLU 67 HA GLU 67 6.960 7.534 16.353 539 1HB GLU 67 HB2 GLU 67 6.700 5.227 17.186 540 2HB GLU 67 HB1 GLU 67 6.592 6.389 18.508 541 1HG GLU 67 HG2 GLU 67 4.076 6.309 18.244 542 2HG GLU 67 HG1 GLU 67 4.306 4.962 17.130 543 H CYS 68 HN CYS 68 6.982 5.842 14.659 544 HA CYS 68 HA CYS 68 4.512 5.974 12.989 545 1HB CYS 68 HB2 CYS 68 6.507 6.707 11.844 546 2HB CYS 68 HB1 CYS 68 7.379 5.254 12.330 547 HG CYS 68 HG CYS 68 5.379 3.983 10.866 548 H ASP 69 HN ASP 69 3.171 4.278 13.264 549 HA ASP 69 HA ASP 69 4.267 1.625 14.057 550 1HB ASP 69 HB2 ASP 69 1.438 2.707 13.941 551 2HB ASP 69 HB1 ASP 69 1.854 1.063 14.428 552 H PHE 70 HN PHE 70 2.735 -0.216 13.029 553 HA PHE 70 HA PHE 70 3.471 -0.435 10.296 554 1HB PHE 70 HB2 PHE 70 2.936 -2.384 11.712 555 2HB PHE 70 HB1 PHE 70 1.248 -1.872 11.780 556 HD1 PHE 70 HD1 PHE 70 -0.184 -1.966 9.777 557 HD2 PHE 70 HD2 PHE 70 3.883 -3.342 9.699 558 HE1 PHE 70 HE1 PHE 70 -0.618 -3.129 7.628 559 HE2 PHE 70 HE2 PHE 70 3.451 -4.504 7.552 560 HZ PHE 70 HZ PHE 70 1.201 -4.397 6.516 561 H GLN 71 HN GLN 71 0.323 0.469 11.762 562 HA GLN 71 HA GLN 71 -1.087 0.737 9.294 563 1HB GLN 71 HB2 GLN 71 -2.604 2.256 10.563 564 2HB GLN 71 HB1 GLN 71 -2.275 0.760 11.433 565 1HG GLN 71 HG2 GLN 71 -0.367 2.072 12.584 566 2HG GLN 71 HG1 GLN 71 -1.161 3.516 11.955 567 1HE2 GLN 71 HE22 GLN 71 -3.293 3.519 14.761 568 2HE2 GLN 71 HE21 GLN 71 -2.265 4.400 13.736 569 H GLU 72 HN GLU 72 0.743 3.105 11.208 570 HA GLU 72 HA GLU 72 0.408 5.284 9.377 571 1HB GLU 72 HB2 GLU 72 1.174 5.588 11.718 572 2HB GLU 72 HB1 GLU 72 2.690 4.781 11.310 573 1HG GLU 72 HG2 GLU 72 3.290 6.509 9.750 574 2HG GLU 72 HG1 GLU 72 1.688 7.240 9.856 575 H PHE 73 HN PHE 73 2.792 2.675 9.608 576 HA PHE 73 HA PHE 73 4.662 3.645 7.695 577 1HB PHE 73 HB2 PHE 73 5.126 1.699 9.117 578 2HB PHE 73 HB1 PHE 73 3.844 0.790 8.320 579 HD1 PHE 73 HD1 PHE 73 7.245 2.174 7.967 580 HD2 PHE 73 HD2 PHE 73 4.107 -0.037 6.040 581 HE1 PHE 73 HE1 PHE 73 8.838 1.441 6.210 582 HE2 PHE 73 HE2 PHE 73 5.699 -0.770 4.286 583 HZ PHE 73 HZ PHE 73 8.062 -0.034 4.370 584 H MET 74 HN MET 74 1.700 1.708 7.255 585 HA MET 74 HA MET 74 1.983 1.268 4.455 586 1HB MET 74 HB2 MET 74 0.270 0.187 5.959 587 2HB MET 74 HB1 MET 74 -0.612 1.714 5.962 588 1HG MET 74 HG2 MET 74 -1.619 0.391 4.249 589 2HG MET 74 HG1 MET 74 -0.606 1.558 3.404 590 1HE MET 74 HE1 MET 74 -1.107 -0.064 1.464 591 2HE MET 74 HE3 MET 74 0.494 0.671 1.310 592 3HE MET 74 HE2 MET 74 0.265 -1.035 0.935 593 H ALA 75 HN ALA 75 0.584 3.958 6.287 594 HA ALA 75 HA ALA 75 -0.480 5.425 4.098 595 1HB ALA 75 HB1 ALA 75 -0.900 5.928 6.518 596 2HB ALA 75 HB3 ALA 75 0.742 6.564 6.629 597 3HB ALA 75 HB2 ALA 75 -0.440 7.351 5.582 598 H PHE 76 HN PHE 76 2.792 5.272 5.433 599 HA PHE 76 HA PHE 76 3.903 7.486 4.037 600 1HB PHE 76 HB2 PHE 76 4.980 6.013 5.860 601 2HB PHE 76 HB1 PHE 76 5.373 4.891 4.560 602 HD1 PHE 76 HD2 PHE 76 6.648 5.849 2.504 603 HD2 PHE 76 HD1 PHE 76 6.373 7.856 6.293 604 HE1 PHE 76 HE2 PHE 76 8.616 7.235 1.915 605 HE2 PHE 76 HE1 PHE 76 8.343 9.239 5.704 606 HZ PHE 76 HZ PHE 76 9.466 8.929 3.514 607 H VAL 77 HN VAL 77 3.703 4.041 3.101 608 HA VAL 77 HA VAL 77 4.918 4.375 0.523 609 HB VAL 77 HB VAL 77 2.947 2.309 1.544 610 1HG1 VAL 77 HG12 VAL 77 4.548 2.500 -1.008 611 2HG1 VAL 77 HG11 VAL 77 4.042 0.941 -0.356 612 3HG1 VAL 77 HG13 VAL 77 2.833 2.142 -0.810 613 1HG2 VAL 77 HG22 VAL 77 5.971 2.424 1.377 614 2HG2 VAL 77 HG21 VAL 77 4.982 2.279 2.831 615 3HG2 VAL 77 HG23 VAL 77 5.077 0.936 1.691 616 H SER 78 HN SER 78 1.549 4.473 1.626 617 HA SER 78 HA SER 78 0.306 4.697 -0.925 618 1HB SER 78 HB2 SER 78 -1.621 5.518 0.265 619 2HB SER 78 HB1 SER 78 -0.853 4.311 1.294 620 HG SER 78 HG SER 78 -1.321 6.897 1.784 621 H MET 79 HN MET 79 1.773 7.119 1.191 622 HA MET 79 HA MET 79 0.838 9.446 -0.137 623 1HB MET 79 HB2 MET 79 2.022 9.463 2.045 624 2HB MET 79 HB1 MET 79 3.514 9.010 1.224 625 1HG MET 79 HG2 MET 79 3.415 11.080 -0.113 626 2HG MET 79 HG1 MET 79 1.920 11.536 0.703 627 1HE MET 79 HE1 MET 79 4.072 13.261 0.317 628 2HE MET 79 HE3 MET 79 3.344 14.047 1.724 629 3HE MET 79 HE2 MET 79 5.075 13.722 1.688 630 H VAL 80 HN VAL 80 3.669 7.392 -0.804 631 HA VAL 80 HA VAL 80 4.699 9.084 -2.900 632 HB VAL 80 HB VAL 80 5.068 6.135 -2.295 633 1HG1 VAL 80 HG13 VAL 80 6.360 7.892 -4.396 634 2HG1 VAL 80 HG12 VAL 80 7.078 6.381 -3.837 635 3HG1 VAL 80 HG11 VAL 80 5.510 6.366 -4.643 636 1HG2 VAL 80 HG21 VAL 80 5.941 7.948 -0.711 637 2HG2 VAL 80 HG23 VAL 80 7.142 6.808 -1.317 638 3HG2 VAL 80 HG22 VAL 80 7.027 8.424 -2.015 639 H THR 81 HN THR 81 2.481 6.302 -2.858 640 HA THR 81 HA THR 81 2.209 6.126 -5.727 641 HB THR 81 HB THR 81 0.222 4.746 -5.201 642 HG1 THR 81 HG1 THR 81 -0.529 4.634 -3.161 643 1HG2 THR 81 HG21 THR 81 2.517 3.788 -5.053 644 2HG2 THR 81 HG23 THR 81 2.545 4.192 -3.336 645 3HG2 THR 81 HG22 THR 81 1.387 3.009 -3.946 646 H THR 82 HN THR 82 0.347 7.790 -3.192 647 HA THR 82 HA THR 82 -1.749 8.712 -4.910 648 HB THR 82 HB THR 82 -2.112 10.438 -3.123 649 HG1 THR 82 HG1 THR 82 0.224 10.501 -2.665 650 1HG2 THR 82 HG23 THR 82 -1.766 7.521 -2.449 651 2HG2 THR 82 HG22 THR 82 -2.330 8.663 -1.231 652 3HG2 THR 82 HG21 THR 82 -3.256 8.426 -2.712 653 H ALA 83 HN ALA 83 1.397 10.074 -4.019 654 HA ALA 83 HA ALA 83 1.025 12.578 -5.390 655 1HB ALA 83 HB1 ALA 83 2.784 12.018 -3.617 656 2HB ALA 83 HB3 ALA 83 3.677 11.207 -4.904 657 3HB ALA 83 HB2 ALA 83 3.354 12.938 -5.010 658 H CYS 84 HN CYS 84 2.017 9.378 -6.428 659 HA CYS 84 HA CYS 84 3.408 9.862 -8.788 660 1HB CYS 84 HB2 CYS 84 2.847 7.592 -7.982 661 2HB CYS 84 HB1 CYS 84 1.159 7.861 -8.413 662 HG CYS 84 HG CYS 84 1.708 7.629 -10.857 663 H HIS 85 HN HIS 85 2.892 11.494 -10.198 664 HA HIS 85 HA HIS 85 0.167 11.437 -11.422 665 1HB HIS 85 HB2 HIS 85 0.493 13.263 -9.577 666 2HB HIS 85 HB1 HIS 85 1.512 14.067 -10.769 667 HD1 HIS 85 HD1 HIS 85 -2.008 13.419 -9.877 668 HD2 HIS 85 HD2 HIS 85 0.069 14.754 -13.240 669 HE1 HIS 85 HE1 HIS 85 -3.735 14.421 -11.436 670 HE2 HIS 85 HE2 HIS 85 -2.483 15.234 -13.487 671 H GLU 86 HN GLU 86 0.573 11.030 -13.527 672 HA GLU 86 HA GLU 86 1.499 11.209 -15.667 673 1HB GLU 86 HB2 GLU 86 1.301 13.728 -14.987 674 2HB GLU 86 HB1 GLU 86 3.047 13.641 -14.768 675 1HG GLU 86 HG2 GLU 86 2.696 14.374 -17.019 676 2HG GLU 86 HG1 GLU 86 3.170 12.680 -17.127 677 H PHE 87 HN PHE 87 2.934 9.940 -13.276 678 HA PHE 87 HA PHE 87 5.779 10.191 -14.083 679 1HB PHE 87 HB2 PHE 87 4.276 9.049 -11.776 680 2HB PHE 87 HB1 PHE 87 5.724 8.156 -12.224 681 HD1 PHE 87 HD2 PHE 87 4.707 11.759 -11.918 682 HD2 PHE 87 HD1 PHE 87 7.647 8.759 -11.046 683 HE1 PHE 87 HE2 PHE 87 6.078 13.454 -10.743 684 HE2 PHE 87 HE1 PHE 87 9.022 10.452 -9.866 685 HZ PHE 87 HZ PHE 87 8.238 12.800 -9.715 686 H PHE 88 HN PHE 88 4.055 7.218 -13.229 687 HA PHE 88 HA PHE 88 4.256 5.084 -14.229 688 1HB PHE 88 HB2 PHE 88 3.296 6.809 -16.527 689 2HB PHE 88 HB1 PHE 88 3.128 5.054 -16.424 690 HD1 PHE 88 HD1 PHE 88 1.760 4.034 -14.587 691 HD2 PHE 88 HD2 PHE 88 1.846 8.270 -15.302 692 HE1 PHE 88 HE1 PHE 88 -0.296 4.309 -13.222 693 HE2 PHE 88 HE2 PHE 88 -0.207 8.544 -13.940 694 HZ PHE 88 HZ PHE 88 -1.278 6.563 -12.900 695 H GLU 89 HN GLU 89 6.490 4.613 -14.269 696 HA GLU 89 HA GLU 89 8.337 5.718 -16.144 697 1HB GLU 89 HB2 GLU 89 9.802 3.862 -15.522 698 2HB GLU 89 HB1 GLU 89 8.997 4.482 -14.081 699 1HG GLU 89 HG2 GLU 89 7.224 2.665 -14.489 700 2HG GLU 89 HG1 GLU 89 8.374 1.960 -15.625 701 H HIS 90 HN HIS 90 8.622 5.304 -18.274 702 HA HIS 90 HA HIS 90 8.171 4.433 -20.403 703 1HB HIS 90 HB2 HIS 90 9.645 2.663 -19.179 704 2HB HIS 90 HB1 HIS 90 8.163 1.715 -19.083 705 HD1 HIS 90 HD1 HIS 90 7.764 3.544 -22.070 706 HD2 HIS 90 HD2 HIS 90 10.113 0.251 -21.051 707 HE1 HIS 90 HE1 HIS 90 8.406 2.418 -24.248 708 HE2 HIS 90 HE2 HIS 90 9.845 0.420 -23.640 709 H GLU 91 HN GLU 91 6.761 1.578 -20.251 710 HA GLU 91 HA GLU 91 3.974 2.537 -19.771 711 1HB GLU 91 HB2 GLU 91 4.455 2.829 -22.190 712 2HB GLU 91 HB1 GLU 91 4.912 1.130 -22.296 713 1HG GLU 91 HG2 GLU 91 2.653 0.450 -21.628 714 2HG GLU 91 HG1 GLU 91 2.184 2.140 -21.436 715 1H MET 0 HT1 MET 0 18.800 -7.864 -3.676 716 2H MET 0 HT3 MET 0 18.956 -8.865 -5.036 717 3H MET 0 HT2 MET 0 20.096 -7.640 -4.750 718 HA MET 0 HA MET 0 18.904 -6.174 -5.876 719 1HB MET 0 HB2 MET 0 18.296 -8.359 -7.088 720 2HB MET 0 HB1 MET 0 16.766 -8.289 -6.216 721 1HG MET 0 HG2 MET 0 16.422 -7.237 -8.360 722 2HG MET 0 HG1 MET 0 16.434 -5.963 -7.146 723 1HE MET 0 HE3 MET 0 17.772 -7.402 -10.269 724 2HE MET 0 HE2 MET 0 19.430 -6.841 -10.464 725 3HE MET 0 HE1 MET 0 19.063 -8.080 -9.269 726 H SER 1 HN SER 1 17.003 -4.734 -5.742 727 HA SER 1 HA SER 1 15.923 -4.675 -3.013 728 1HB SER 1 HB2 SER 1 16.444 -2.522 -3.779 729 2HB SER 1 HB1 SER 1 15.813 -2.839 -5.394 730 HG SER 1 HG SER 1 14.212 -2.804 -3.055 731 H GLU 2 HN GLU 2 14.342 -6.175 -2.684 732 HA GLU 2 HA GLU 2 12.445 -6.996 -4.696 733 1HB GLU 2 HB2 GLU 2 12.511 -7.320 -1.683 734 2HB GLU 2 HB1 GLU 2 11.273 -8.047 -2.709 735 1HG GLU 2 HG2 GLU 2 13.012 -9.240 -3.981 736 2HG GLU 2 HG1 GLU 2 14.260 -8.503 -2.976 737 H LEU 3 HN LEU 3 12.351 -4.684 -2.011 738 HA LEU 3 HA LEU 3 9.581 -4.069 -2.100 739 1HB LEU 3 HB2 LEU 3 11.105 -3.334 -0.290 740 2HB LEU 3 HB1 LEU 3 11.921 -2.258 -1.417 741 HG LEU 3 HG LEU 3 9.714 -1.073 -1.773 742 1HD1 LEU 3 HD13 LEU 3 8.908 -3.017 0.397 743 2HD1 LEU 3 HD12 LEU 3 8.089 -1.467 0.214 744 3HD1 LEU 3 HD11 LEU 3 8.063 -2.634 -1.102 745 1HD2 LEU 3 HD22 LEU 3 11.455 -0.227 -0.226 746 2HD2 LEU 3 HD21 LEU 3 9.833 0.147 0.356 747 3HD2 LEU 3 HD23 LEU 3 10.744 -1.180 1.077 748 H GLU 4 HN GLU 4 12.320 -2.517 -3.820 749 HA GLU 4 HA GLU 4 10.769 -0.561 -5.185 750 1HB GLU 4 HB2 GLU 4 13.242 -0.530 -5.091 751 2HB GLU 4 HB1 GLU 4 13.293 -1.958 -6.125 752 1HG GLU 4 HG2 GLU 4 12.206 -0.729 -7.936 753 2HG GLU 4 HG1 GLU 4 12.033 0.689 -6.902 754 H LYS 5 HN LYS 5 11.788 -3.816 -6.278 755 HA LYS 5 HA LYS 5 10.428 -3.748 -8.785 756 1HB LYS 5 HB2 LYS 5 12.110 -5.458 -8.212 757 2HB LYS 5 HB1 LYS 5 11.022 -6.124 -6.996 758 1HG LYS 5 HG2 LYS 5 9.412 -6.759 -8.687 759 2HG LYS 5 HG1 LYS 5 10.315 -5.903 -9.935 760 1HD LYS 5 HD2 LYS 5 10.845 -8.245 -10.156 761 2HD LYS 5 HD1 LYS 5 12.262 -7.450 -9.470 762 1HE LYS 5 HE2 LYS 5 11.807 -8.286 -7.290 763 2HE LYS 5 HE1 LYS 5 10.159 -8.741 -7.720 764 1HZ LYS 5 HZ1 LYS 5 11.604 -10.126 -9.504 765 2HZ LYS 5 HZ3 LYS 5 12.643 -10.148 -8.163 766 3HZ LYS 5 HZ2 LYS 5 11.060 -10.750 -8.021 767 H ALA 6 HN ALA 6 9.358 -4.848 -5.581 768 HA ALA 6 HA ALA 6 6.800 -5.809 -6.410 769 1HB ALA 6 HB2 ALA 6 7.910 -4.876 -3.768 770 2HB ALA 6 HB1 ALA 6 6.221 -5.361 -3.926 771 3HB ALA 6 HB3 ALA 6 7.507 -6.514 -4.279 772 H MET 7 HN MET 7 7.848 -2.570 -5.329 773 HA MET 7 HA MET 7 5.256 -1.402 -5.159 774 1HB MET 7 HB2 MET 7 7.303 -0.270 -4.355 775 2HB MET 7 HB1 MET 7 7.866 -0.107 -6.016 776 1HG MET 7 HG2 MET 7 5.896 1.284 -6.555 777 2HG MET 7 HG1 MET 7 5.320 1.114 -4.897 778 1HE MET 7 HE2 MET 7 6.471 2.017 -2.826 779 2HE MET 7 HE1 MET 7 7.014 3.690 -2.931 780 3HE MET 7 HE3 MET 7 5.441 3.225 -3.592 781 H VAL 8 HN VAL 8 7.460 -1.764 -7.925 782 HA VAL 8 HA VAL 8 5.797 -0.326 -9.778 783 HB VAL 8 HB VAL 8 7.870 -2.477 -10.291 784 1HG1 VAL 8 HG13 VAL 8 6.344 -0.596 -12.100 785 2HG1 VAL 8 HG12 VAL 8 7.932 -1.213 -12.560 786 3HG1 VAL 8 HG11 VAL 8 6.600 -2.333 -12.277 787 1HG2 VAL 8 HG21 VAL 8 7.981 0.534 -10.028 788 2HG2 VAL 8 HG23 VAL 8 8.985 -0.677 -9.231 789 3HG2 VAL 8 HG22 VAL 8 9.200 -0.346 -10.948 790 H ALA 9 HN ALA 9 5.995 -3.742 -8.846 791 HA ALA 9 HA ALA 9 4.422 -4.877 -10.866 792 1HB ALA 9 HB3 ALA 9 4.441 -5.573 -7.917 793 2HB ALA 9 HB2 ALA 9 3.793 -6.601 -9.194 794 3HB ALA 9 HB1 ALA 9 5.518 -6.231 -9.148 795 H LEU 10 HN LEU 10 3.302 -3.185 -7.918 796 HA LEU 10 HA LEU 10 0.523 -3.730 -8.331 797 1HB LEU 10 HB2 LEU 10 2.041 -1.574 -6.868 798 2HB LEU 10 HB1 LEU 10 0.296 -1.421 -7.062 799 HG LEU 10 HG LEU 10 0.028 -3.697 -6.058 800 1HD1 LEU 10 HD13 LEU 10 3.018 -3.395 -5.678 801 2HD1 LEU 10 HD12 LEU 10 2.038 -4.568 -4.797 802 3HD1 LEU 10 HD11 LEU 10 2.175 -4.675 -6.553 803 1HD2 LEU 10 HD21 LEU 10 -0.068 -1.546 -4.730 804 2HD2 LEU 10 HD23 LEU 10 0.374 -2.967 -3.784 805 3HD2 LEU 10 HD22 LEU 10 1.617 -1.820 -4.286 806 H ILE 11 HN ILE 11 2.619 -1.100 -9.519 807 HA ILE 11 HA ILE 11 0.509 0.309 -10.880 808 HB ILE 11 HB ILE 11 3.491 0.216 -11.442 809 1HG1 ILE 11 HG12 ILE 11 3.016 1.093 -9.216 810 2HG1 ILE 11 HG11 ILE 11 3.499 2.418 -10.267 811 1HG2 ILE 11 HG21 ILE 11 1.269 1.911 -12.570 812 2HG2 ILE 11 HG23 ILE 11 2.934 2.494 -12.536 813 3HG2 ILE 11 HG22 ILE 11 2.530 1.029 -13.431 814 1HD1 ILE 11 HD12 ILE 11 0.865 2.611 -10.662 815 2HD1 ILE 11 HD11 ILE 11 0.813 1.808 -9.093 816 3HD1 ILE 11 HD13 ILE 11 1.633 3.357 -9.265 817 H ASP 12 HN ASP 12 2.832 -2.165 -11.953 818 HA ASP 12 HA ASP 12 2.063 -2.215 -14.688 819 1HB ASP 12 HB2 ASP 12 4.070 -3.359 -13.833 820 2HB ASP 12 HB1 ASP 12 3.049 -4.502 -12.960 821 H VAL 13 HN VAL 13 0.888 -4.196 -11.963 822 HA VAL 13 HA VAL 13 -1.046 -5.632 -13.538 823 HB VAL 13 HB VAL 13 -0.898 -5.104 -10.557 824 1HG1 VAL 13 HG11 VAL 13 -2.666 -6.897 -12.224 825 2HG1 VAL 13 HG13 VAL 13 -2.325 -7.252 -10.531 826 3HG1 VAL 13 HG12 VAL 13 -3.138 -5.751 -10.969 827 1HG2 VAL 13 HG22 VAL 13 1.040 -6.311 -11.518 828 2HG2 VAL 13 HG21 VAL 13 0.077 -7.364 -10.481 829 3HG2 VAL 13 HG23 VAL 13 -0.058 -7.489 -12.236 830 H PHE 14 HN PHE 14 -1.317 -2.837 -11.356 831 HA PHE 14 HA PHE 14 -4.119 -2.463 -11.605 832 1HB PHE 14 HB2 PHE 14 -2.739 -1.317 -9.913 833 2HB PHE 14 HB1 PHE 14 -1.960 -0.377 -11.187 834 HD1 PHE 14 HD2 PHE 14 -3.191 1.340 -12.427 835 HD2 PHE 14 HD1 PHE 14 -5.044 -0.893 -9.263 836 HE1 PHE 14 HE2 PHE 14 -5.059 2.971 -12.370 837 HE2 PHE 14 HE1 PHE 14 -6.913 0.735 -9.206 838 HZ PHE 14 HZ PHE 14 -6.920 2.668 -10.760 839 H HIS 15 HN HIS 15 -1.456 -0.982 -13.474 840 HA HIS 15 HA HIS 15 -3.082 0.616 -15.161 841 1HB HIS 15 HB2 HIS 15 -0.654 0.896 -15.003 842 2HB HIS 15 HB1 HIS 15 -0.409 -0.677 -15.762 843 HD1 HIS 15 HD1 HIS 15 -0.837 -0.872 -18.293 844 HD2 HIS 15 HD2 HIS 15 -1.558 2.953 -16.794 845 HE1 HIS 15 HE1 HIS 15 -1.112 0.645 -20.303 846 HE2 HIS 15 HE2 HIS 15 -1.553 2.975 -19.404 847 H GLN 16 HN GLN 16 -1.979 -2.755 -15.612 848 HA GLN 16 HA GLN 16 -2.964 -3.085 -18.258 849 1HB GLN 16 HB2 GLN 16 -1.477 -4.684 -16.979 850 2HB GLN 16 HB1 GLN 16 -2.916 -5.218 -16.110 851 1HG GLN 16 HG2 GLN 16 -2.650 -6.758 -17.913 852 2HG GLN 16 HG1 GLN 16 -3.958 -5.682 -18.402 853 1HE2 GLN 16 HE22 GLN 16 -0.492 -5.737 -20.523 854 2HE2 GLN 16 HE21 GLN 16 -0.694 -6.710 -19.147 855 H TYR 17 HN TYR 17 -4.565 -3.972 -15.176 856 HA TYR 17 HA TYR 17 -7.061 -4.637 -16.486 857 1HB TYR 17 HB2 TYR 17 -6.122 -4.335 -13.652 858 2HB TYR 17 HB1 TYR 17 -7.859 -4.320 -13.943 859 HD1 TYR 17 HD1 TYR 17 -4.824 -6.260 -15.040 860 HD2 TYR 17 HD2 TYR 17 -8.960 -6.377 -13.875 861 HE1 TYR 17 HE1 TYR 17 -4.811 -8.732 -15.226 862 HE2 TYR 17 HE2 TYR 17 -8.945 -8.847 -14.062 863 HH TYR 17 HH TYR 17 -6.500 -10.679 -13.944 864 H SER 18 HN SER 18 -5.876 -1.750 -14.780 865 HA SER 18 HA SER 18 -8.338 -0.337 -14.724 866 1HB SER 18 HB2 SER 18 -5.523 0.751 -15.008 867 2HB SER 18 HB1 SER 18 -6.934 1.691 -14.533 868 HG SER 18 HG SER 18 -6.886 -0.455 -13.011 869 H GLY 19 HN GLY 19 -5.834 -0.483 -17.248 870 1HA GLY 19 HA2 GLY 19 -7.342 1.321 -19.002 871 2HA GLY 19 HA1 GLY 19 -5.838 0.494 -19.410 872 H ARG 20 HN ARG 20 -8.727 -1.142 -18.159 873 HA ARG 20 HA ARG 20 -8.640 -3.162 -20.161 874 1HB ARG 20 HB2 ARG 20 -9.888 -3.279 -17.964 875 2HB ARG 20 HB1 ARG 20 -11.119 -2.241 -18.680 876 1HG ARG 20 HG2 ARG 20 -11.473 -3.901 -20.465 877 2HG ARG 20 HG1 ARG 20 -10.258 -4.948 -19.740 878 1HD ARG 20 HD2 ARG 20 -11.591 -4.979 -17.636 879 2HD ARG 20 HD1 ARG 20 -12.845 -4.039 -18.430 880 HE ARG 20 HE ARG 20 -12.495 -6.885 -18.553 881 1HH1 ARG 20 HH21 ARG 20 -13.149 -4.213 -20.656 882 2HH1 ARG 20 HH22 ARG 20 -13.852 -5.207 -21.885 883 1HH2 ARG 20 HH11 ARG 20 -13.442 -8.157 -20.127 884 2HH2 ARG 20 HH12 ARG 20 -14.028 -7.426 -21.584 885 H GLU 21 HN GLU 21 -11.088 -0.558 -19.869 886 HA GLU 21 HA GLU 21 -10.924 0.328 -22.572 887 1HB GLU 21 HB2 GLU 21 -11.836 -1.986 -23.030 888 2HB GLU 21 HB1 GLU 21 -13.251 -1.558 -22.073 889 1HG GLU 21 HG2 GLU 21 -13.722 0.319 -23.602 890 2HG GLU 21 HG1 GLU 21 -12.299 -0.100 -24.555 891 H GLY 22 HN GLY 22 -12.151 2.213 -22.753 892 1HA GLY 22 HA2 GLY 22 -13.633 3.924 -22.125 893 2HA GLY 22 HA1 GLY 22 -14.592 2.685 -21.317 894 H ASP 23 HN ASP 23 -12.974 1.768 -19.330 895 HA ASP 23 HA ASP 23 -12.807 4.119 -17.543 896 1HB ASP 23 HB2 ASP 23 -12.320 2.285 -15.823 897 2HB ASP 23 HB1 ASP 23 -13.911 2.240 -16.576 898 H LYS 24 HN LYS 24 -10.900 5.214 -17.459 899 HA LYS 24 HA LYS 24 -8.391 3.857 -18.257 900 1HB LYS 24 HB2 LYS 24 -9.105 6.733 -17.670 901 2HB LYS 24 HB1 LYS 24 -7.467 6.204 -18.058 902 1HG LYS 24 HG2 LYS 24 -8.277 5.259 -20.190 903 2HG LYS 24 HG1 LYS 24 -9.912 5.797 -19.803 904 1HD LYS 24 HD2 LYS 24 -9.133 8.137 -19.742 905 2HD LYS 24 HD1 LYS 24 -7.498 7.601 -20.134 906 1HE LYS 24 HE2 LYS 24 -9.954 7.207 -21.869 907 2HE LYS 24 HE1 LYS 24 -8.653 8.362 -22.166 908 1HZ LYS 24 HZ2 LYS 24 -7.107 6.453 -22.229 909 2HZ LYS 24 HZ1 LYS 24 -8.437 5.402 -22.121 910 3HZ LYS 24 HZ3 LYS 24 -8.266 6.416 -23.470 911 H HIS 25 HN HIS 25 -8.709 6.374 -15.769 912 HA HIS 25 HA HIS 25 -7.036 4.688 -13.945 913 1HB HIS 25 HB2 HIS 25 -7.459 7.680 -14.143 914 2HB HIS 25 HB1 HIS 25 -6.622 6.917 -12.791 915 HD1 HIS 25 HD1 HIS 25 -4.594 5.206 -13.635 916 HD2 HIS 25 HD2 HIS 25 -5.745 8.258 -16.236 917 HE1 HIS 25 HE1 HIS 25 -2.701 5.484 -15.296 918 HE2 HIS 25 HE2 HIS 25 -3.392 7.336 -16.886 919 H LYS 26 HN LYS 26 -10.053 4.722 -14.355 920 HA LYS 26 HA LYS 26 -10.774 5.003 -11.463 921 1HB LYS 26 HB2 LYS 26 -13.039 5.802 -12.246 922 2HB LYS 26 HB1 LYS 26 -11.731 6.945 -12.511 923 1HG LYS 26 HG2 LYS 26 -12.566 7.049 -14.654 924 2HG LYS 26 HG1 LYS 26 -11.651 5.575 -14.893 925 1HD LYS 26 HD2 LYS 26 -13.916 5.253 -15.709 926 2HD LYS 26 HD1 LYS 26 -13.656 4.240 -14.292 927 1HE LYS 26 HE2 LYS 26 -15.813 5.934 -14.614 928 2HE LYS 26 HE1 LYS 26 -15.229 5.362 -13.054 929 1HZ LYS 26 HZ2 LYS 26 -13.668 7.360 -13.175 930 2HZ LYS 26 HZ1 LYS 26 -14.705 7.942 -14.388 931 3HZ LYS 26 HZ3 LYS 26 -15.305 7.652 -12.828 932 H LEU 27 HN LEU 27 -12.442 3.534 -10.800 933 HA LEU 27 HA LEU 27 -12.857 1.219 -12.676 934 1HB LEU 27 HB2 LEU 27 -12.739 1.138 -9.651 935 2HB LEU 27 HB1 LEU 27 -12.769 -0.236 -10.750 936 HG LEU 27 HG LEU 27 -10.544 1.826 -10.592 937 1HD1 LEU 27 HD11 LEU 27 -10.660 0.331 -8.614 938 2HD1 LEU 27 HD13 LEU 27 -10.629 -1.070 -9.685 939 3HD1 LEU 27 HD12 LEU 27 -9.232 0.003 -9.594 940 1HD2 LEU 27 HD23 LEU 27 -10.994 -0.647 -12.274 941 2HD2 LEU 27 HD22 LEU 27 -10.567 0.975 -12.816 942 3HD2 LEU 27 HD21 LEU 27 -9.375 -0.016 -11.981 943 H LYS 28 HN LYS 28 -14.941 0.568 -12.972 944 HA LYS 28 HA LYS 28 -17.080 2.157 -11.650 945 1HB LYS 28 HB2 LYS 28 -17.078 0.256 -14.013 946 2HB LYS 28 HB1 LYS 28 -18.539 1.015 -13.377 947 1HG LYS 28 HG2 LYS 28 -17.381 3.254 -13.696 948 2HG LYS 28 HG1 LYS 28 -16.119 2.392 -14.573 949 1HD LYS 28 HD2 LYS 28 -19.065 2.368 -15.299 950 2HD LYS 28 HD1 LYS 28 -17.838 3.350 -16.097 951 1HE LYS 28 HE2 LYS 28 -18.098 0.339 -16.090 952 2HE LYS 28 HE1 LYS 28 -18.086 1.428 -17.472 953 1HZ LYS 28 HZ2 LYS 28 -15.751 2.044 -16.564 954 2HZ LYS 28 HZ1 LYS 28 -15.844 0.527 -15.803 955 3HZ LYS 28 HZ3 LYS 28 -15.954 0.636 -17.492 956 H LYS 29 HN LYS 29 -19.153 0.738 -11.181 957 HA LYS 29 HA LYS 29 -18.496 -1.075 -9.087 958 1HB LYS 29 HB2 LYS 29 -20.863 -1.639 -9.039 959 2HB LYS 29 HB1 LYS 29 -20.697 0.093 -9.318 960 1HG LYS 29 HG2 LYS 29 -20.915 -0.369 -11.793 961 2HG LYS 29 HG1 LYS 29 -21.299 -2.039 -11.393 962 1HD LYS 29 HD2 LYS 29 -22.847 0.258 -10.180 963 2HD LYS 29 HD1 LYS 29 -23.278 -0.405 -11.753 964 1HE LYS 29 HE2 LYS 29 -24.637 -1.598 -10.226 965 2HE LYS 29 HE1 LYS 29 -23.314 -2.708 -10.568 966 1HZ LYS 29 HZ2 LYS 29 -22.467 -1.118 -8.474 967 2HZ LYS 29 HZ1 LYS 29 -24.070 -1.536 -8.105 968 3HZ LYS 29 HZ3 LYS 29 -22.928 -2.753 -8.400 969 H SER 30 HN SER 30 -19.342 -1.665 -12.491 970 HA SER 30 HA SER 30 -19.334 -4.543 -12.232 971 1HB SER 30 HB2 SER 30 -20.464 -3.390 -14.098 972 2HB SER 30 HB1 SER 30 -18.909 -2.800 -14.678 973 HG SER 30 HG SER 30 -19.429 -4.668 -15.789 974 H GLU 31 HN GLU 31 -16.911 -2.176 -13.341 975 HA GLU 31 HA GLU 31 -14.868 -4.091 -13.938 976 1HB GLU 31 HB2 GLU 31 -14.860 -1.701 -14.702 977 2HB GLU 31 HB1 GLU 31 -14.520 -1.212 -13.045 978 1HG GLU 31 HG2 GLU 31 -12.387 -1.270 -14.046 979 2HG GLU 31 HG1 GLU 31 -12.474 -2.814 -13.208 980 H LEU 32 HN LEU 32 -15.675 -2.303 -10.980 981 HA LEU 32 HA LEU 32 -13.398 -3.029 -9.465 982 1HB LEU 32 HB2 LEU 32 -15.038 -1.311 -8.769 983 2HB LEU 32 HB1 LEU 32 -16.253 -2.556 -8.535 984 HG LEU 32 HG LEU 32 -15.124 -1.751 -6.422 985 1HD1 LEU 32 HD13 LEU 32 -16.054 -4.236 -6.967 986 2HD1 LEU 32 HD12 LEU 32 -14.386 -4.632 -6.559 987 3HD1 LEU 32 HD11 LEU 32 -15.394 -3.771 -5.402 988 1HD2 LEU 32 HD23 LEU 32 -12.830 -1.671 -7.651 989 2HD2 LEU 32 HD22 LEU 32 -12.865 -2.191 -5.967 990 3HD2 LEU 32 HD21 LEU 32 -12.736 -3.388 -7.253 991 H LYS 33 HN LYS 33 -16.583 -4.651 -9.664 992 HA LYS 33 HA LYS 33 -15.920 -6.817 -7.934 993 1HB LYS 33 HB2 LYS 33 -18.224 -6.227 -8.739 994 2HB LYS 33 HB1 LYS 33 -17.792 -6.895 -10.312 995 1HG LYS 33 HG2 LYS 33 -17.324 -9.075 -9.267 996 2HG LYS 33 HG1 LYS 33 -17.758 -8.413 -7.688 997 1HD LYS 33 HD2 LYS 33 -20.025 -7.912 -8.521 998 2HD LYS 33 HD1 LYS 33 -19.597 -8.586 -10.094 999 1HE LYS 33 HE2 LYS 33 -19.068 -10.759 -8.934 1000 2HE LYS 33 HE1 LYS 33 -19.719 -10.061 -7.452 1001 1HZ LYS 33 HZ1 LYS 33 -21.671 -9.523 -9.194 1002 2HZ LYS 33 HZ3 LYS 33 -21.101 -10.994 -9.817 1003 3HZ LYS 33 HZ2 LYS 33 -21.636 -10.905 -8.207 1004 H GLU 34 HN GLU 34 -15.540 -6.439 -11.450 1005 HA GLU 34 HA GLU 34 -14.664 -9.097 -11.995 1006 1HB GLU 34 HB2 GLU 34 -15.351 -7.418 -13.721 1007 2HB GLU 34 HB1 GLU 34 -13.830 -6.570 -13.439 1008 1HG GLU 34 HG2 GLU 34 -12.553 -8.514 -14.127 1009 2HG GLU 34 HG1 GLU 34 -14.025 -9.478 -14.263 1010 H LEU 35 HN LEU 35 -12.850 -6.188 -11.054 1011 HA LEU 35 HA LEU 35 -10.242 -7.258 -11.412 1012 1HB LEU 35 HB2 LEU 35 -10.657 -4.876 -10.985 1013 2HB LEU 35 HB1 LEU 35 -11.215 -5.247 -9.358 1014 HG LEU 35 HG LEU 35 -8.511 -6.330 -10.031 1015 1HD1 LEU 35 HD11 LEU 35 -9.029 -3.354 -9.838 1016 2HD1 LEU 35 HD13 LEU 35 -7.448 -4.085 -9.562 1017 3HD1 LEU 35 HD12 LEU 35 -8.221 -4.224 -11.141 1018 1HD2 LEU 35 HD22 LEU 35 -9.685 -4.804 -7.678 1019 2HD2 LEU 35 HD21 LEU 35 -9.350 -6.532 -7.757 1020 3HD2 LEU 35 HD23 LEU 35 -8.021 -5.376 -7.751 1021 H ILE 36 HN ILE 36 -12.313 -7.259 -8.495 1022 HA ILE 36 HA ILE 36 -10.439 -8.718 -6.886 1023 HB ILE 36 HB ILE 36 -13.456 -8.497 -6.674 1024 1HG1 ILE 36 HG12 ILE 36 -11.278 -7.093 -5.100 1025 2HG1 ILE 36 HG11 ILE 36 -12.056 -6.384 -6.515 1026 1HG2 ILE 36 HG21 ILE 36 -11.354 -9.692 -4.857 1027 2HG2 ILE 36 HG23 ILE 36 -12.891 -9.105 -4.222 1028 3HG2 ILE 36 HG22 ILE 36 -12.868 -10.413 -5.403 1029 1HD1 ILE 36 HD13 ILE 36 -14.265 -6.660 -5.401 1030 2HD1 ILE 36 HD12 ILE 36 -13.439 -7.269 -3.967 1031 3HD1 ILE 36 HD11 ILE 36 -13.185 -5.603 -4.491 1032 H ASN 37 HN ASN 37 -13.130 -9.789 -8.972 1033 HA ASN 37 HA ASN 37 -13.079 -12.508 -8.184 1034 1HB ASN 37 HB2 ASN 37 -13.806 -11.233 -10.825 1035 2HB ASN 37 HB1 ASN 37 -14.021 -12.951 -10.496 1036 1HD2 ASN 37 HD22 ASN 37 -16.157 -11.329 -7.583 1037 2HD2 ASN 37 HD21 ASN 37 -14.482 -11.594 -7.528 1038 H ASN 38 HN ASN 38 -11.321 -10.947 -10.894 1039 HA ASN 38 HA ASN 38 -9.860 -13.422 -11.442 1040 1HB ASN 38 HB2 ASN 38 -10.454 -11.695 -13.190 1041 2HB ASN 38 HB1 ASN 38 -9.237 -10.644 -12.466 1042 1HD2 ASN 38 HD22 ASN 38 -8.076 -13.765 -14.806 1043 2HD2 ASN 38 HD21 ASN 38 -9.715 -13.505 -14.449 1044 H GLU 39 HN GLU 39 -9.106 -10.304 -9.890 1045 HA GLU 39 HA GLU 39 -6.425 -11.398 -9.093 1046 1HB GLU 39 HB2 GLU 39 -7.456 -8.546 -9.149 1047 2HB GLU 39 HB1 GLU 39 -5.837 -9.038 -8.655 1048 1HG GLU 39 HG2 GLU 39 -5.432 -9.995 -10.883 1049 2HG GLU 39 HG1 GLU 39 -7.055 -9.522 -11.390 1050 H LEU 40 HN LEU 40 -5.718 -10.982 -6.899 1051 HA LEU 40 HA LEU 40 -6.024 -11.036 -4.583 1052 1HB LEU 40 HB2 LEU 40 -7.125 -8.741 -5.334 1053 2HB LEU 40 HB1 LEU 40 -8.628 -9.555 -4.919 1054 HG LEU 40 HG LEU 40 -7.416 -10.153 -2.677 1055 1HD1 LEU 40 HD12 LEU 40 -5.711 -7.881 -3.747 1056 2HD1 LEU 40 HD11 LEU 40 -5.813 -8.275 -2.034 1057 3HD1 LEU 40 HD13 LEU 40 -5.168 -9.454 -3.169 1058 1HD2 LEU 40 HD22 LEU 40 -8.297 -7.331 -3.362 1059 2HD2 LEU 40 HD21 LEU 40 -9.321 -8.639 -2.770 1060 3HD2 LEU 40 HD23 LEU 40 -8.092 -7.936 -1.719 1061 H SER 41 HN SER 41 -7.618 -12.760 -6.674 1062 HA SER 41 HA SER 41 -9.955 -13.684 -5.252 1063 1HB SER 41 HB2 SER 41 -10.076 -15.385 -6.923 1064 2HB SER 41 HB1 SER 41 -9.440 -13.963 -7.745 1065 HG SER 41 HG SER 41 -8.059 -16.255 -6.817 1066 H HIS 42 HN HIS 42 -6.573 -14.735 -5.418 1067 HA HIS 42 HA HIS 42 -6.934 -17.137 -3.877 1068 1HB HIS 42 HB2 HIS 42 -4.493 -15.386 -4.312 1069 2HB HIS 42 HB1 HIS 42 -4.452 -16.983 -3.564 1070 HD1 HIS 42 HD1 HIS 42 -6.102 -18.721 -5.285 1071 HD2 HIS 42 HD2 HIS 42 -3.732 -15.715 -6.944 1072 HE1 HIS 42 HE1 HIS 42 -5.739 -19.349 -7.715 1073 HE2 HIS 42 HE2 HIS 42 -4.291 -17.530 -8.730 1074 H PHE 43 HN PHE 43 -6.034 -13.807 -3.005 1075 HA PHE 43 HA PHE 43 -5.620 -14.415 -0.213 1076 1HB PHE 43 HB2 PHE 43 -4.939 -12.323 -1.795 1077 2HB PHE 43 HB1 PHE 43 -6.365 -11.630 -1.032 1078 HD1 PHE 43 HD2 PHE 43 -3.018 -13.095 -0.419 1079 HD2 PHE 43 HD1 PHE 43 -6.355 -11.018 1.314 1080 HE1 PHE 43 HE2 PHE 43 -1.672 -12.632 1.610 1081 HE2 PHE 43 HE1 PHE 43 -5.008 -10.554 3.345 1082 HZ PHE 43 HZ PHE 43 -2.667 -11.362 3.492 1083 H LEU 44 HN LEU 44 -8.389 -13.151 -2.063 1084 HA LEU 44 HA LEU 44 -10.111 -13.493 0.384 1085 1HB LEU 44 HB2 LEU 44 -9.843 -11.114 -0.378 1086 2HB LEU 44 HB1 LEU 44 -10.527 -11.576 -1.932 1087 HG LEU 44 HG LEU 44 -12.580 -12.397 -0.689 1088 1HD1 LEU 44 HD11 LEU 44 -10.938 -11.516 1.617 1089 2HD1 LEU 44 HD13 LEU 44 -12.600 -10.925 1.644 1090 3HD1 LEU 44 HD12 LEU 44 -12.280 -12.652 1.550 1091 1HD2 LEU 44 HD23 LEU 44 -12.501 -10.230 -1.862 1092 2HD2 LEU 44 HD22 LEU 44 -13.498 -10.130 -0.410 1093 3HD2 LEU 44 HD21 LEU 44 -11.865 -9.464 -0.405 1094 H GLU 45 HN GLU 45 -12.145 -14.499 0.048 1095 HA GLU 45 HA GLU 45 -12.267 -16.340 -2.191 1096 1HB GLU 45 HB2 GLU 45 -14.464 -16.988 -1.248 1097 2HB GLU 45 HB1 GLU 45 -13.224 -16.936 0.003 1098 1HG GLU 45 HG2 GLU 45 -13.989 -14.717 0.710 1099 2HG GLU 45 HG1 GLU 45 -15.197 -14.701 -0.574 1100 H GLU 46 HN GLU 46 -13.801 -16.279 -3.945 1101 HA GLU 46 HA GLU 46 -14.299 -13.646 -4.986 1102 1HB GLU 46 HB2 GLU 46 -15.325 -16.370 -5.819 1103 2HB GLU 46 HB1 GLU 46 -15.684 -14.889 -6.706 1104 1HG GLU 46 HG2 GLU 46 -13.297 -14.483 -7.048 1105 2HG GLU 46 HG1 GLU 46 -12.893 -15.913 -6.105 1106 H ILE 47 HN ILE 47 -16.262 -12.520 -5.207 1107 HA ILE 47 HA ILE 47 -18.273 -13.139 -3.115 1108 HB ILE 47 HB ILE 47 -17.819 -10.721 -4.888 1109 1HG1 ILE 47 HG12 ILE 47 -17.566 -11.002 -1.884 1110 2HG1 ILE 47 HG11 ILE 47 -16.207 -11.272 -2.975 1111 1HG2 ILE 47 HG23 ILE 47 -19.940 -11.351 -2.828 1112 2HG2 ILE 47 HG22 ILE 47 -19.495 -9.691 -3.222 1113 3HG2 ILE 47 HG21 ILE 47 -20.158 -10.746 -4.469 1114 1HD1 ILE 47 HD13 ILE 47 -17.827 -8.729 -3.112 1115 2HD1 ILE 47 HD12 ILE 47 -16.493 -8.902 -1.972 1116 3HD1 ILE 47 HD11 ILE 47 -16.192 -9.029 -3.705 1117 H LYS 48 HN LYS 48 -20.248 -13.983 -3.617 1118 HA LYS 48 HA LYS 48 -20.909 -14.371 -6.499 1119 1HB LYS 48 HB2 LYS 48 -21.950 -15.669 -3.969 1120 2HB LYS 48 HB1 LYS 48 -22.560 -16.020 -5.587 1121 1HG LYS 48 HG2 LYS 48 -20.359 -16.768 -6.308 1122 2HG LYS 48 HG1 LYS 48 -19.654 -16.285 -4.769 1123 1HD LYS 48 HD2 LYS 48 -19.978 -18.646 -4.618 1124 2HD LYS 48 HD1 LYS 48 -21.262 -17.921 -3.654 1125 1HE LYS 48 HE2 LYS 48 -22.889 -18.298 -5.371 1126 2HE LYS 48 HE1 LYS 48 -21.646 -18.690 -6.560 1127 1HZ LYS 48 HZ3 LYS 48 -21.500 -20.329 -4.219 1128 2HZ LYS 48 HZ2 LYS 48 -22.998 -20.469 -5.008 1129 3HZ LYS 48 HZ1 LYS 48 -21.557 -20.782 -5.853 1130 H GLU 49 HN GLU 49 -21.879 -12.480 -3.775 1131 HA GLU 49 HA GLU 49 -24.501 -11.833 -5.092 1132 1HB GLU 49 HB2 GLU 49 -23.561 -11.571 -2.228 1133 2HB GLU 49 HB1 GLU 49 -25.024 -10.790 -2.821 1134 1HG GLU 49 HG2 GLU 49 -25.756 -12.857 -1.900 1135 2HG GLU 49 HG1 GLU 49 -25.747 -13.119 -3.641 1136 H GLN 50 HN GLN 50 -24.762 -9.872 -5.960 1137 HA GLN 50 HA GLN 50 -22.590 -7.969 -6.087 1138 1HB GLN 50 HB2 GLN 50 -25.504 -7.818 -6.902 1139 2HB GLN 50 HB1 GLN 50 -24.344 -6.525 -7.205 1140 1HG GLN 50 HG2 GLN 50 -22.932 -8.083 -8.491 1141 2HG GLN 50 HG1 GLN 50 -24.093 -9.380 -8.193 1142 1HE2 GLN 50 HE22 GLN 50 -26.464 -6.910 -10.073 1143 2HE2 GLN 50 HE21 GLN 50 -26.219 -7.026 -8.397 1144 H GLU 51 HN GLU 51 -25.388 -8.370 -4.021 1145 HA GLU 51 HA GLU 51 -25.647 -5.711 -3.068 1146 1HB GLU 51 HB2 GLU 51 -27.292 -7.491 -2.593 1147 2HB GLU 51 HB1 GLU 51 -26.116 -8.299 -1.555 1148 1HG GLU 51 HG2 GLU 51 -26.065 -6.378 -0.050 1149 2HG GLU 51 HG1 GLU 51 -27.135 -5.475 -1.123 1150 H VAL 52 HN VAL 52 -23.498 -8.339 -1.983 1151 HA VAL 52 HA VAL 52 -22.442 -6.984 0.296 1152 HB VAL 52 HB VAL 52 -21.185 -9.028 -1.560 1153 1HG1 VAL 52 HG13 VAL 52 -20.187 -7.811 1.027 1154 2HG1 VAL 52 HG12 VAL 52 -19.602 -9.359 0.417 1155 3HG1 VAL 52 HG11 VAL 52 -19.347 -7.889 -0.522 1156 1HG2 VAL 52 HG23 VAL 52 -23.188 -9.707 -0.212 1157 2HG2 VAL 52 HG22 VAL 52 -21.725 -10.588 0.234 1158 3HG2 VAL 52 HG21 VAL 52 -22.304 -9.268 1.250 1159 H VAL 53 HN VAL 53 -21.429 -6.972 -3.124 1160 HA VAL 53 HA VAL 53 -19.133 -5.315 -2.798 1161 HB VAL 53 HB VAL 53 -21.033 -5.613 -5.146 1162 1HG1 VAL 53 HG11 VAL 53 -18.326 -4.259 -4.947 1163 2HG1 VAL 53 HG13 VAL 53 -19.101 -4.689 -6.470 1164 3HG1 VAL 53 HG12 VAL 53 -19.855 -3.506 -5.405 1165 1HG2 VAL 53 HG23 VAL 53 -18.306 -6.807 -4.550 1166 2HG2 VAL 53 HG22 VAL 53 -19.841 -7.673 -4.493 1167 3HG2 VAL 53 HG21 VAL 53 -19.229 -7.061 -6.030 1168 H ASP 54 HN ASP 54 -22.556 -4.498 -3.331 1169 HA ASP 54 HA ASP 54 -22.225 -1.698 -3.657 1170 1HB ASP 54 HB2 ASP 54 -24.353 -2.839 -4.106 1171 2HB ASP 54 HB1 ASP 54 -24.540 -3.181 -2.384 1172 H LYS 55 HN LYS 55 -22.912 -3.527 -0.650 1173 HA LYS 55 HA LYS 55 -22.896 -1.229 1.035 1174 1HB LYS 55 HB2 LYS 55 -22.255 -4.132 1.631 1175 2HB LYS 55 HB1 LYS 55 -22.398 -2.888 2.876 1176 1HG LYS 55 HG2 LYS 55 -24.697 -2.369 2.019 1177 2HG LYS 55 HG1 LYS 55 -24.548 -3.736 0.915 1178 1HD LYS 55 HD2 LYS 55 -24.397 -3.881 3.941 1179 2HD LYS 55 HD1 LYS 55 -25.763 -4.392 2.951 1180 1HE LYS 55 HE2 LYS 55 -24.662 -6.424 3.244 1181 2HE LYS 55 HE1 LYS 55 -23.919 -5.876 1.742 1182 1HZ LYS 55 HZ1 LYS 55 -22.373 -4.689 3.577 1183 2HZ LYS 55 HZ3 LYS 55 -22.777 -6.124 4.387 1184 3HZ LYS 55 HZ2 LYS 55 -22.025 -6.192 2.865 1185 H VAL 56 HN VAL 56 -20.277 -3.380 -0.021 1186 HA VAL 56 HA VAL 56 -18.224 -2.255 1.616 1187 HB VAL 56 HB VAL 56 -18.122 -3.603 -1.097 1188 1HG1 VAL 56 HG11 VAL 56 -15.903 -2.673 0.736 1189 2HG1 VAL 56 HG13 VAL 56 -15.666 -3.942 -0.465 1190 3HG1 VAL 56 HG12 VAL 56 -16.115 -2.315 -0.978 1191 1HG2 VAL 56 HG21 VAL 56 -18.912 -4.931 0.884 1192 2HG2 VAL 56 HG23 VAL 56 -17.418 -5.547 0.178 1193 3HG2 VAL 56 HG22 VAL 56 -17.366 -4.601 1.666 1194 H MET 57 HN MET 57 -19.428 -1.366 -1.612 1195 HA MET 57 HA MET 57 -17.474 0.612 -2.214 1196 1HB MET 57 HB2 MET 57 -19.104 -0.260 -3.861 1197 2HB MET 57 HB1 MET 57 -20.406 0.551 -2.994 1198 1HG MET 57 HG2 MET 57 -19.736 1.921 -4.893 1199 2HG MET 57 HG1 MET 57 -19.266 2.739 -3.411 1200 1HE MET 57 HE3 MET 57 -18.384 1.480 -6.725 1201 2HE MET 57 HE2 MET 57 -16.688 1.011 -6.720 1202 3HE MET 57 HE1 MET 57 -17.879 -0.019 -5.931 1203 H GLU 58 HN GLU 58 -20.583 0.890 -0.483 1204 HA GLU 58 HA GLU 58 -20.532 3.712 -0.120 1205 1HB GLU 58 HB2 GLU 58 -21.720 1.508 1.583 1206 2HB GLU 58 HB1 GLU 58 -21.983 3.223 1.894 1207 1HG GLU 58 HG2 GLU 58 -22.936 3.498 -0.357 1208 2HG GLU 58 HG1 GLU 58 -22.666 1.785 -0.686 1209 H THR 59 HN THR 59 -19.139 1.103 1.840 1210 HA THR 59 HA THR 59 -18.290 2.719 4.025 1211 HB THR 59 HB THR 59 -17.017 0.200 2.907 1212 HG1 THR 59 HG1 THR 59 -18.314 -0.720 4.632 1213 1HG2 THR 59 HG22 THR 59 -16.831 1.546 5.615 1214 2HG2 THR 59 HG21 THR 59 -16.227 -0.072 5.264 1215 3HG2 THR 59 HG23 THR 59 -15.519 1.327 4.457 1216 H LEU 60 HN LEU 60 -16.638 1.836 0.997 1217 HA LEU 60 HA LEU 60 -14.261 3.396 1.694 1218 1HB LEU 60 HB2 LEU 60 -15.136 1.961 -0.818 1219 2HB LEU 60 HB1 LEU 60 -13.618 2.845 -0.704 1220 HG LEU 60 HG LEU 60 -14.325 0.737 1.346 1221 1HD1 LEU 60 HD12 LEU 60 -13.097 0.331 -1.393 1222 2HD1 LEU 60 HD11 LEU 60 -12.940 -0.839 -0.081 1223 3HD1 LEU 60 HD13 LEU 60 -14.533 -0.451 -0.730 1224 1HD2 LEU 60 HD23 LEU 60 -11.759 1.998 0.318 1225 2HD2 LEU 60 HD22 LEU 60 -12.406 2.044 1.957 1226 3HD2 LEU 60 HD21 LEU 60 -11.766 0.538 1.306 1227 H ASP 61 HN ASP 61 -17.313 4.155 0.347 1228 HA ASP 61 HA ASP 61 -16.446 6.231 -1.469 1229 1HB ASP 61 HB2 ASP 61 -19.085 5.711 -0.078 1230 2HB ASP 61 HB1 ASP 61 -18.842 7.048 -1.203 1231 H GLU 62 HN GLU 62 -14.891 6.658 0.693 1232 HA GLU 62 HA GLU 62 -15.927 8.403 2.698 1233 1HB GLU 62 HB2 GLU 62 -13.146 8.152 1.518 1234 2HB GLU 62 HB1 GLU 62 -13.525 9.134 2.932 1235 1HG GLU 62 HG2 GLU 62 -14.163 6.179 2.743 1236 2HG GLU 62 HG1 GLU 62 -12.680 6.807 3.463 1237 H ASP 63 HN ASP 63 -14.557 9.063 -0.527 1238 HA ASP 63 HA ASP 63 -14.838 11.960 -0.169 1239 1HB ASP 63 HB2 ASP 63 -14.022 12.121 -2.460 1240 2HB ASP 63 HB1 ASP 63 -13.027 10.969 -1.570 1241 H GLY 64 HN GLY 64 -16.960 9.449 -0.958 1242 1HA GLY 64 HA2 GLY 64 -19.192 9.504 -1.685 1243 2HA GLY 64 HA1 GLY 64 -19.135 11.250 -1.444 1244 H ASP 65 HN ASP 65 -16.927 9.578 -3.631 1245 HA ASP 65 HA ASP 65 -17.893 11.267 -5.835 1246 1HB ASP 65 HB2 ASP 65 -16.042 10.221 -7.114 1247 2HB ASP 65 HB1 ASP 65 -15.484 10.893 -5.582 1248 H GLY 66 HN GLY 66 -18.714 8.223 -4.597 1249 1HA GLY 66 HA2 GLY 66 -20.270 6.658 -5.420 1250 2HA GLY 66 HA1 GLY 66 -20.513 7.715 -6.810 1251 H GLU 67 HN GLU 67 -17.220 7.099 -6.453 1252 HA GLU 67 HA GLU 67 -17.260 4.583 -8.022 1253 1HB GLU 67 HB2 GLU 67 -15.875 5.558 -9.811 1254 2HB GLU 67 HB1 GLU 67 -17.433 6.376 -9.708 1255 1HG GLU 67 HG2 GLU 67 -16.318 8.114 -8.245 1256 2HG GLU 67 HG1 GLU 67 -14.775 7.358 -8.645 1257 H CYS 68 HN CYS 68 -15.056 3.657 -8.224 1258 HA CYS 68 HA CYS 68 -13.361 4.428 -5.891 1259 1HB CYS 68 HB2 CYS 68 -14.020 2.091 -5.940 1260 2HB CYS 68 HB1 CYS 68 -13.444 1.925 -7.594 1261 HG CYS 68 HG CYS 68 -10.991 2.548 -6.540 1262 H ASP 69 HN ASP 69 -11.734 5.811 -6.400 1263 HA ASP 69 HA ASP 69 -10.557 5.757 -9.137 1264 1HB ASP 69 HB2 ASP 69 -10.264 7.737 -6.861 1265 2HB ASP 69 HB1 ASP 69 -9.479 7.890 -8.432 1266 H PHE 70 HN PHE 70 -8.052 6.470 -8.926 1267 HA PHE 70 HA PHE 70 -6.654 4.175 -8.009 1268 1HB PHE 70 HB2 PHE 70 -5.762 5.720 -9.718 1269 2HB PHE 70 HB1 PHE 70 -5.579 6.970 -8.486 1270 HD1 PHE 70 HD1 PHE 70 -3.878 6.780 -6.727 1271 HD2 PHE 70 HD2 PHE 70 -4.309 3.765 -9.757 1272 HE1 PHE 70 HE1 PHE 70 -1.678 5.826 -6.093 1273 HE2 PHE 70 HE2 PHE 70 -2.110 2.812 -9.123 1274 HZ PHE 70 HZ PHE 70 -0.795 3.841 -7.289 1275 H GLN 71 HN GLN 71 -7.008 7.405 -6.482 1276 HA GLN 71 HA GLN 71 -5.367 6.844 -4.215 1277 1HB GLN 71 HB2 GLN 71 -6.653 8.653 -3.089 1278 2HB GLN 71 HB1 GLN 71 -6.132 9.124 -4.706 1279 1HG GLN 71 HG2 GLN 71 -8.448 8.265 -5.483 1280 2HG GLN 71 HG1 GLN 71 -8.891 8.321 -3.777 1281 1HE2 GLN 71 HE22 GLN 71 -9.690 11.730 -4.143 1282 2HE2 GLN 71 HE21 GLN 71 -10.162 10.195 -3.593 1283 H GLU 72 HN GLU 72 -8.864 6.456 -4.719 1284 HA GLU 72 HA GLU 72 -9.383 5.292 -2.151 1285 1HB GLU 72 HB2 GLU 72 -11.184 6.203 -3.561 1286 2HB GLU 72 HB1 GLU 72 -10.896 4.935 -4.754 1287 1HG GLU 72 HG2 GLU 72 -11.554 3.215 -3.204 1288 2HG GLU 72 HG1 GLU 72 -11.599 4.361 -1.864 1289 H PHE 73 HN PHE 73 -8.382 3.928 -5.259 1290 HA PHE 73 HA PHE 73 -8.759 1.172 -4.650 1291 1HB PHE 73 HB2 PHE 73 -8.206 1.953 -6.915 1292 2HB PHE 73 HB1 PHE 73 -6.622 2.489 -6.357 1293 HD1 PHE 73 HD2 PHE 73 -4.869 0.893 -5.794 1294 HD2 PHE 73 HD1 PHE 73 -8.719 -0.441 -7.156 1295 HE1 PHE 73 HE2 PHE 73 -3.945 -1.375 -6.175 1296 HE2 PHE 73 HE1 PHE 73 -7.794 -2.713 -7.536 1297 HZ PHE 73 HZ PHE 73 -5.404 -3.179 -7.043 1298 H MET 74 HN MET 74 -5.991 3.327 -4.027 1299 HA MET 74 HA MET 74 -4.236 1.353 -2.963 1300 1HB MET 74 HB2 MET 74 -3.630 3.741 -3.522 1301 2HB MET 74 HB1 MET 74 -4.469 4.236 -2.054 1302 1HG MET 74 HG2 MET 74 -2.166 4.036 -1.452 1303 2HG MET 74 HG1 MET 74 -2.958 2.606 -0.795 1304 1HE MET 74 HE3 MET 74 -0.776 1.836 -0.412 1305 2HE MET 74 HE2 MET 74 -1.416 0.315 -1.029 1306 3HE MET 74 HE1 MET 74 0.181 0.863 -1.537 1307 H ALA 75 HN ALA 75 -6.777 3.307 -1.442 1308 HA ALA 75 HA ALA 75 -6.305 2.531 1.252 1309 1HB ALA 75 HB3 ALA 75 -7.883 4.351 0.413 1310 2HB ALA 75 HB2 ALA 75 -9.036 3.063 0.062 1311 3HB ALA 75 HB1 ALA 75 -8.504 3.344 1.721 1312 H PHE 76 HN PHE 76 -8.093 0.942 -1.352 1313 HA PHE 76 HA PHE 76 -9.408 -1.039 0.210 1314 1HB PHE 76 HB2 PHE 76 -9.676 -0.519 -2.305 1315 2HB PHE 76 HB1 PHE 76 -8.256 -1.537 -2.547 1316 HD1 PHE 76 HD2 PHE 76 -8.319 -3.931 -1.527 1317 HD2 PHE 76 HD1 PHE 76 -11.809 -1.494 -2.107 1318 HE1 PHE 76 HE2 PHE 76 -9.754 -5.948 -1.383 1319 HE2 PHE 76 HE1 PHE 76 -13.242 -3.513 -1.964 1320 HZ PHE 76 HZ PHE 76 -12.215 -5.739 -1.600 1321 H VAL 77 HN VAL 77 -6.214 -1.114 -1.395 1322 HA VAL 77 HA VAL 77 -5.492 -3.733 -0.470 1323 HB VAL 77 HB VAL 77 -3.763 -1.363 -1.239 1324 1HG1 VAL 77 HG13 VAL 77 -3.119 -4.274 -0.735 1325 2HG1 VAL 77 HG12 VAL 77 -2.073 -3.227 -1.694 1326 3HG1 VAL 77 HG11 VAL 77 -2.378 -2.854 0.003 1327 1HG2 VAL 77 HG23 VAL 77 -5.334 -2.209 -2.991 1328 2HG2 VAL 77 HG22 VAL 77 -3.639 -2.449 -3.418 1329 3HG2 VAL 77 HG21 VAL 77 -4.601 -3.806 -2.832 1330 H SER 78 HN SER 78 -4.966 -0.485 0.853 1331 HA SER 78 HA SER 78 -3.304 -1.215 3.044 1332 1HB SER 78 HB2 SER 78 -3.885 0.925 3.987 1333 2HB SER 78 HB1 SER 78 -3.805 1.134 2.241 1334 HG SER 78 HG SER 78 -6.204 0.493 3.599 1335 H MET 79 HN MET 79 -6.819 -1.223 2.665 1336 HA MET 79 HA MET 79 -7.531 -1.613 5.384 1337 1HB MET 79 HB2 MET 79 -9.135 -1.137 3.525 1338 2HB MET 79 HB1 MET 79 -8.892 -2.780 2.938 1339 1HG MET 79 HG2 MET 79 -9.712 -3.677 5.086 1340 2HG MET 79 HG1 MET 79 -9.954 -2.033 5.677 1341 1HE MET 79 HE2 MET 79 -12.269 -3.018 6.276 1342 2HE MET 79 HE1 MET 79 -13.548 -3.411 5.130 1343 3HE MET 79 HE3 MET 79 -12.185 -4.516 5.352 1344 H VAL 80 HN VAL 80 -6.612 -3.971 2.877 1345 HA VAL 80 HA VAL 80 -7.112 -6.279 4.532 1346 HB VAL 80 HB VAL 80 -5.350 -5.863 2.099 1347 1HG1 VAL 80 HG12 VAL 80 -5.927 -8.335 3.739 1348 2HG1 VAL 80 HG11 VAL 80 -5.511 -8.448 2.029 1349 3HG1 VAL 80 HG13 VAL 80 -4.370 -7.735 3.169 1350 1HG2 VAL 80 HG21 VAL 80 -8.060 -7.164 2.524 1351 2HG2 VAL 80 HG23 VAL 80 -7.751 -5.645 1.683 1352 3HG2 VAL 80 HG22 VAL 80 -7.173 -7.166 1.000 1353 H THR 81 HN THR 81 -4.242 -4.273 3.919 1354 HA THR 81 HA THR 81 -2.439 -5.892 5.485 1355 HB THR 81 HB THR 81 -0.967 -3.911 5.389 1356 HG1 THR 81 HG1 THR 81 -1.739 -2.000 4.890 1357 1HG2 THR 81 HG22 THR 81 -1.302 -5.461 3.402 1358 2HG2 THR 81 HG21 THR 81 -2.400 -4.245 2.749 1359 3HG2 THR 81 HG23 THR 81 -0.702 -3.849 3.009 1360 H THR 82 HN THR 82 -4.419 -3.030 6.225 1361 HA THR 82 HA THR 82 -3.433 -2.651 8.885 1362 HB THR 82 HB THR 82 -5.597 -1.425 9.244 1363 HG1 THR 82 HG1 THR 82 -7.058 -2.417 8.030 1364 1HG2 THR 82 HG22 THR 82 -3.852 -0.904 6.844 1365 2HG2 THR 82 HG21 THR 82 -5.211 0.161 7.206 1366 3HG2 THR 82 HG23 THR 82 -3.913 -0.041 8.382 1367 H ALA 83 HN ALA 83 -6.079 -4.612 7.570 1368 HA ALA 83 HA ALA 83 -7.087 -5.477 10.123 1369 1HB ALA 83 HB2 ALA 83 -7.309 -6.623 7.333 1370 2HB ALA 83 HB1 ALA 83 -8.103 -7.353 8.729 1371 3HB ALA 83 HB3 ALA 83 -8.527 -5.717 8.229 1372 H CYS 84 HN CYS 84 -4.456 -6.554 8.071 1373 HA CYS 84 HA CYS 84 -4.022 -9.176 8.888 1374 1HB CYS 84 HB2 CYS 84 -2.538 -7.981 7.306 1375 2HB CYS 84 HB1 CYS 84 -1.903 -7.018 8.639 1376 HG CYS 84 HG CYS 84 -0.862 -9.187 9.662 1377 H HIS 85 HN HIS 85 -4.301 -9.872 10.973 1378 HA HIS 85 HA HIS 85 -2.621 -8.592 13.084 1379 1HB HIS 85 HB2 HIS 85 -5.124 -7.835 13.090 1380 2HB HIS 85 HB1 HIS 85 -5.455 -9.460 13.688 1381 HD1 HIS 85 HD1 HIS 85 -4.194 -6.155 14.726 1382 HD2 HIS 85 HD2 HIS 85 -4.098 -10.043 16.236 1383 HE1 HIS 85 HE1 HIS 85 -3.470 -5.966 17.146 1384 HE2 HIS 85 HE2 HIS 85 -3.409 -8.325 18.076 1385 H GLU 86 HN GLU 86 -1.310 -10.215 13.718 1386 HA GLU 86 HA GLU 86 -0.614 -12.315 14.482 1387 1HB GLU 86 HB2 GLU 86 -2.832 -11.988 15.840 1388 2HB GLU 86 HB1 GLU 86 -3.502 -13.165 14.715 1389 1HG GLU 86 HG2 GLU 86 -2.706 -14.419 16.592 1390 2HG GLU 86 HG1 GLU 86 -1.531 -14.669 15.302 1391 H PHE 87 HN PHE 87 -1.474 -11.723 11.601 1392 HA PHE 87 HA PHE 87 -2.246 -14.421 10.638 1393 1HB PHE 87 HB2 PHE 87 -2.105 -11.670 9.501 1394 2HB PHE 87 HB1 PHE 87 -1.698 -12.952 8.367 1395 HD1 PHE 87 HD2 PHE 87 -4.238 -12.397 11.084 1396 HD2 PHE 87 HD1 PHE 87 -3.484 -13.702 7.067 1397 HE1 PHE 87 HE2 PHE 87 -6.653 -12.868 10.786 1398 HE2 PHE 87 HE1 PHE 87 -5.898 -14.173 6.766 1399 HZ PHE 87 HZ PHE 87 -7.482 -13.756 8.625 1400 H PHE 88 HN PHE 88 0.163 -12.242 9.228 1401 HA PHE 88 HA PHE 88 2.248 -12.812 8.263 1402 1HB PHE 88 HB2 PHE 88 2.549 -13.755 11.125 1403 2HB PHE 88 HB1 PHE 88 3.878 -13.371 10.027 1404 HD1 PHE 88 HD1 PHE 88 4.155 -11.040 9.160 1405 HD2 PHE 88 HD2 PHE 88 1.276 -12.027 12.194 1406 HE1 PHE 88 HE1 PHE 88 3.943 -8.639 9.745 1407 HE2 PHE 88 HE2 PHE 88 1.066 -9.626 12.778 1408 HZ PHE 88 HZ PHE 88 2.400 -7.932 11.554 1409 H GLU 89 HN GLU 89 1.814 -14.481 6.759 1410 HA GLU 89 HA GLU 89 1.350 -17.208 7.459 1411 1HB GLU 89 HB2 GLU 89 1.912 -17.713 5.130 1412 2HB GLU 89 HB1 GLU 89 0.926 -16.252 5.199 1413 1HG GLU 89 HG2 GLU 89 3.134 -14.946 5.217 1414 2HG GLU 89 HG1 GLU 89 3.909 -16.463 4.760 1415 H HIS 90 HN HIS 90 2.729 -18.757 8.174 1416 HA HIS 90 HA HIS 90 4.712 -19.689 9.006 1417 1HB HIS 90 HB2 HIS 90 4.863 -19.827 6.407 1418 2HB HIS 90 HB1 HIS 90 6.058 -18.541 6.556 1419 HD1 HIS 90 HD1 HIS 90 6.449 -20.348 9.555 1420 HD2 HIS 90 HD2 HIS 90 7.532 -21.144 5.605 1421 HE1 HIS 90 HE1 HIS 90 8.268 -22.109 9.651 1422 HE2 HIS 90 HE2 HIS 90 8.942 -22.593 7.253 1423 H GLU 91 HN GLU 91 7.292 -18.208 7.858 1424 HA GLU 91 HA GLU 91 7.298 -15.889 9.733 1425 1HB GLU 91 HB2 GLU 91 8.201 -17.814 10.995 1426 2HB GLU 91 HB1 GLU 91 9.378 -18.105 9.716 1427 1HG GLU 91 HG2 GLU 91 10.382 -15.895 10.107 1428 2HG GLU 91 HG1 GLU 91 9.177 -15.553 11.350 No H/Q in entry = 1428 Start of MODEL 17 1 1H MET 0 HT3 MET 0 16.401 -2.820 -5.779 2 2H MET 0 HT2 MET 0 17.454 -1.823 -6.665 3 3H MET 0 HT1 MET 0 17.774 -3.484 -6.525 4 HA MET 0 HA MET 0 19.160 -2.852 -4.905 5 1HB MET 0 HB2 MET 0 17.395 -0.400 -4.728 6 2HB MET 0 HB1 MET 0 18.754 -0.681 -3.637 7 1HG MET 0 HG2 MET 0 19.029 -0.696 -6.657 8 2HG MET 0 HG1 MET 0 19.284 0.744 -5.673 9 1HE MET 0 HE3 MET 0 21.224 -0.547 -7.667 10 2HE MET 0 HE2 MET 0 22.578 -1.474 -7.027 11 3HE MET 0 HE1 MET 0 21.017 -2.257 -7.268 12 H SER 1 HN SER 1 15.688 -2.537 -4.357 13 HA SER 1 HA SER 1 15.964 -4.244 -1.936 14 1HB SER 1 HB2 SER 1 15.934 -1.823 -1.217 15 2HB SER 1 HB1 SER 1 14.353 -1.678 -1.982 16 HG SER 1 HG SER 1 14.099 -3.771 -0.554 17 H GLU 2 HN GLU 2 14.059 -5.404 -1.475 18 HA GLU 2 HA GLU 2 12.376 -5.994 -3.743 19 1HB GLU 2 HB2 GLU 2 12.290 -6.839 -0.840 20 2HB GLU 2 HB1 GLU 2 11.116 -7.398 -2.032 21 1HG GLU 2 HG2 GLU 2 12.901 -8.322 -3.416 22 2HG GLU 2 HG1 GLU 2 14.120 -7.708 -2.300 23 H LEU 3 HN LEU 3 12.071 -3.883 -0.956 24 HA LEU 3 HA LEU 3 9.246 -3.518 -0.969 25 1HB LEU 3 HB2 LEU 3 10.666 -2.656 0.846 26 2HB LEU 3 HB1 LEU 3 11.462 -1.552 -0.268 27 HG LEU 3 HG LEU 3 9.295 -0.382 -0.638 28 1HD1 LEU 3 HD13 LEU 3 8.324 -2.506 1.271 29 2HD1 LEU 3 HD12 LEU 3 7.502 -0.948 1.160 30 3HD1 LEU 3 HD11 LEU 3 7.617 -1.987 -0.258 31 1HD2 LEU 3 HD21 LEU 3 10.927 0.252 1.182 32 2HD2 LEU 3 HD23 LEU 3 9.263 0.743 1.498 33 3HD2 LEU 3 HD22 LEU 3 9.934 -0.672 2.308 34 H GLU 4 HN GLU 4 11.789 -1.658 -2.662 35 HA GLU 4 HA GLU 4 9.959 0.041 -4.041 36 1HB GLU 4 HB2 GLU 4 12.384 0.493 -3.898 37 2HB GLU 4 HB1 GLU 4 12.703 -0.922 -4.898 38 1HG GLU 4 HG2 GLU 4 12.771 1.136 -6.247 39 2HG GLU 4 HG1 GLU 4 11.445 0.097 -6.758 40 H LYS 5 HN LYS 5 11.328 -3.132 -4.879 41 HA LYS 5 HA LYS 5 10.269 -3.282 -7.512 42 1HB LYS 5 HB2 LYS 5 11.938 -4.863 -6.568 43 2HB LYS 5 HB1 LYS 5 10.691 -5.529 -5.521 44 1HG LYS 5 HG2 LYS 5 10.106 -6.970 -7.177 45 2HG LYS 5 HG1 LYS 5 9.587 -5.603 -8.155 46 1HD LYS 5 HD2 LYS 5 12.463 -6.559 -8.044 47 2HD LYS 5 HD1 LYS 5 11.295 -7.132 -9.232 48 1HE LYS 5 HE2 LYS 5 10.904 -4.774 -9.945 49 2HE LYS 5 HE1 LYS 5 12.170 -4.254 -8.832 50 1HZ LYS 5 HZ3 LYS 5 13.391 -6.223 -10.163 51 2HZ LYS 5 HZ2 LYS 5 12.394 -5.594 -11.387 52 3HZ LYS 5 HZ1 LYS 5 13.501 -4.586 -10.582 53 H ALA 6 HN ALA 6 8.841 -4.208 -4.392 54 HA ALA 6 HA ALA 6 6.434 -5.327 -5.440 55 1HB ALA 6 HB3 ALA 6 6.883 -3.895 -2.800 56 2HB ALA 6 HB2 ALA 6 5.494 -4.910 -3.189 57 3HB ALA 6 HB1 ALA 6 7.106 -5.619 -3.088 58 H MET 7 HN MET 7 7.355 -2.006 -4.650 59 HA MET 7 HA MET 7 4.796 -0.791 -4.939 60 1HB MET 7 HB2 MET 7 6.846 0.317 -4.001 61 2HB MET 7 HB1 MET 7 7.507 0.398 -5.634 62 1HG MET 7 HG2 MET 7 5.515 1.714 -6.336 63 2HG MET 7 HG1 MET 7 4.943 1.702 -4.670 64 1HE MET 7 HE1 MET 7 6.245 2.225 -2.794 65 2HE MET 7 HE3 MET 7 7.798 3.071 -2.729 66 3HE MET 7 HE2 MET 7 6.294 3.985 -2.775 67 H VAL 8 HN VAL 8 7.399 -1.312 -7.330 68 HA VAL 8 HA VAL 8 6.046 -0.154 -9.576 69 HB VAL 8 HB VAL 8 8.163 -2.319 -9.408 70 1HG1 VAL 8 HG11 VAL 8 7.059 -0.782 -11.780 71 2HG1 VAL 8 HG13 VAL 8 8.609 -1.621 -11.812 72 3HG1 VAL 8 HG12 VAL 8 7.123 -2.533 -11.569 73 1HG2 VAL 8 HG22 VAL 8 8.227 0.682 -9.789 74 2HG2 VAL 8 HG21 VAL 8 8.987 -0.261 -8.508 75 3HG2 VAL 8 HG23 VAL 8 9.608 -0.350 -10.157 76 H ALA 9 HN ALA 9 6.196 -3.501 -8.359 77 HA ALA 9 HA ALA 9 4.694 -4.676 -10.489 78 1HB ALA 9 HB2 ALA 9 5.102 -5.506 -7.607 79 2HB ALA 9 HB1 ALA 9 4.178 -6.474 -8.758 80 3HB ALA 9 HB3 ALA 9 5.885 -6.152 -9.050 81 H LEU 10 HN LEU 10 3.691 -3.225 -7.419 82 HA LEU 10 HA LEU 10 0.952 -3.934 -7.559 83 1HB LEU 10 HB2 LEU 10 2.008 -2.953 -5.550 84 2HB LEU 10 HB1 LEU 10 2.212 -1.426 -6.408 85 HG LEU 10 HG LEU 10 -0.226 -1.211 -6.660 86 1HD1 LEU 10 HD11 LEU 10 -0.204 -3.951 -5.410 87 2HD1 LEU 10 HD13 LEU 10 -1.582 -2.886 -5.133 88 3HD1 LEU 10 HD12 LEU 10 -1.150 -3.354 -6.774 89 1HD2 LEU 10 HD21 LEU 10 0.718 -1.781 -3.840 90 2HD2 LEU 10 HD23 LEU 10 0.747 -0.227 -4.674 91 3HD2 LEU 10 HD22 LEU 10 -0.794 -0.963 -4.234 92 H ILE 11 HN ILE 11 2.657 -1.046 -8.817 93 HA ILE 11 HA ILE 11 0.340 0.221 -9.929 94 HB ILE 11 HB ILE 11 3.268 0.421 -10.719 95 1HG1 ILE 11 HG12 ILE 11 1.563 2.354 -9.124 96 2HG1 ILE 11 HG11 ILE 11 2.548 1.103 -8.366 97 1HG2 ILE 11 HG23 ILE 11 0.856 2.072 -11.526 98 2HG2 ILE 11 HG22 ILE 11 2.517 2.631 -11.713 99 3HG2 ILE 11 HG21 ILE 11 1.963 1.204 -12.588 100 1HD1 ILE 11 HD12 ILE 11 3.731 3.067 -10.334 101 2HD1 ILE 11 HD11 ILE 11 3.608 3.436 -8.613 102 3HD1 ILE 11 HD13 ILE 11 4.566 2.057 -9.155 103 H ASP 12 HN ASP 12 2.687 -2.062 -11.321 104 HA ASP 12 HA ASP 12 1.754 -1.970 -14.000 105 1HB ASP 12 HB2 ASP 12 3.868 -3.075 -13.293 106 2HB ASP 12 HB1 ASP 12 2.920 -4.360 -12.545 107 H VAL 13 HN VAL 13 0.725 -4.074 -11.312 108 HA VAL 13 HA VAL 13 -1.098 -5.638 -12.836 109 HB VAL 13 HB VAL 13 -1.090 -4.886 -9.898 110 1HG1 VAL 13 HG11 VAL 13 -2.857 -6.825 -11.423 111 2HG1 VAL 13 HG13 VAL 13 -2.642 -6.878 -9.671 112 3HG1 VAL 13 HG12 VAL 13 -3.368 -5.464 -10.426 113 1HG2 VAL 13 HG22 VAL 13 0.804 -6.250 -10.835 114 2HG2 VAL 13 HG21 VAL 13 -0.137 -7.093 -9.604 115 3HG2 VAL 13 HG23 VAL 13 -0.377 -7.471 -11.309 116 H PHE 14 HN PHE 14 -1.664 -2.650 -10.940 117 HA PHE 14 HA PHE 14 -4.453 -2.490 -11.524 118 1HB PHE 14 HB2 PHE 14 -3.295 -1.132 -9.793 119 2HB PHE 14 HB1 PHE 14 -2.518 -0.204 -11.077 120 HD1 PHE 14 HD1 PHE 14 -5.725 -0.945 -9.393 121 HD2 PHE 14 HD2 PHE 14 -3.793 1.366 -12.453 122 HE1 PHE 14 HE1 PHE 14 -7.724 0.507 -9.556 123 HE2 PHE 14 HE2 PHE 14 -5.792 2.817 -12.620 124 HZ PHE 14 HZ PHE 14 -7.764 2.388 -11.169 125 H HIS 15 HN HIS 15 -1.664 -0.962 -13.166 126 HA HIS 15 HA HIS 15 -3.193 0.265 -15.250 127 1HB HIS 15 HB2 HIS 15 -0.857 0.889 -14.813 128 2HB HIS 15 HB1 HIS 15 -0.327 -0.728 -15.283 129 HD1 HIS 15 HD1 HIS 15 -2.221 2.227 -16.803 130 HD2 HIS 15 HD2 HIS 15 0.178 -0.979 -17.985 131 HE1 HIS 15 HE1 HIS 15 -1.880 2.468 -19.306 132 HE2 HIS 15 HE2 HIS 15 -0.420 0.514 -20.032 133 H GLN 16 HN GLN 16 -1.633 -2.936 -14.993 134 HA GLN 16 HA GLN 16 -2.115 -3.749 -17.684 135 1HB GLN 16 HB2 GLN 16 -0.609 -4.897 -16.000 136 2HB GLN 16 HB1 GLN 16 -2.064 -5.574 -15.274 137 1HG GLN 16 HG2 GLN 16 -1.257 -7.231 -16.792 138 2HG GLN 16 HG1 GLN 16 -2.638 -6.484 -17.596 139 1HE2 GLN 16 HE22 GLN 16 0.558 -4.584 -19.098 140 2HE2 GLN 16 HE21 GLN 16 -0.100 -4.243 -17.574 141 H TYR 17 HN TYR 17 -4.043 -4.456 -14.738 142 HA TYR 17 HA TYR 17 -6.134 -5.790 -16.191 143 1HB TYR 17 HB2 TYR 17 -5.755 -5.975 -13.731 144 2HB TYR 17 HB1 TYR 17 -6.338 -4.319 -13.552 145 HD1 TYR 17 HD1 TYR 17 -8.674 -3.737 -14.100 146 HD2 TYR 17 HD2 TYR 17 -7.285 -7.803 -14.192 147 HE1 TYR 17 HE1 TYR 17 -11.020 -4.531 -14.110 148 HE2 TYR 17 HE2 TYR 17 -9.630 -8.604 -14.211 149 HH TYR 17 HH TYR 17 -12.129 -6.993 -13.280 150 H SER 18 HN SER 18 -5.859 -2.469 -14.928 151 HA SER 18 HA SER 18 -8.368 -1.563 -16.013 152 1HB SER 18 HB2 SER 18 -7.575 0.666 -15.470 153 2HB SER 18 HB1 SER 18 -7.090 -0.427 -14.178 154 HG SER 18 HG SER 18 -5.297 -0.277 -16.240 155 H GLY 19 HN GLY 19 -5.028 -1.498 -17.262 156 1HA GLY 19 HA2 GLY 19 -5.607 0.110 -19.549 157 2HA GLY 19 HA1 GLY 19 -4.238 -0.993 -19.413 158 H ARG 20 HN ARG 20 -5.476 -3.467 -19.243 159 HA ARG 20 HA ARG 20 -6.105 -3.991 -21.971 160 1HB ARG 20 HB2 ARG 20 -5.587 -5.497 -19.641 161 2HB ARG 20 HB1 ARG 20 -7.180 -6.030 -20.157 162 1HG ARG 20 HG2 ARG 20 -5.701 -7.469 -21.302 163 2HG ARG 20 HG1 ARG 20 -6.119 -6.264 -22.518 164 1HD ARG 20 HD2 ARG 20 -4.027 -5.066 -22.098 165 2HD ARG 20 HD1 ARG 20 -3.635 -6.153 -20.770 166 HE ARG 20 HE ARG 20 -4.004 -7.792 -23.019 167 1HH1 ARG 20 HH21 ARG 20 -1.999 -5.171 -22.015 168 2HH1 ARG 20 HH22 ARG 20 -0.681 -5.620 -23.047 169 1HH2 ARG 20 HH11 ARG 20 -2.295 -8.390 -24.354 170 2HH2 ARG 20 HH12 ARG 20 -0.848 -7.439 -24.370 171 H GLU 21 HN GLU 21 -8.263 -3.586 -19.157 172 HA GLU 21 HA GLU 21 -10.616 -3.709 -21.007 173 1HB GLU 21 HB2 GLU 21 -10.401 -3.937 -17.995 174 2HB GLU 21 HB1 GLU 21 -11.939 -3.808 -18.851 175 1HG GLU 21 HG2 GLU 21 -11.514 -5.842 -20.078 176 2HG GLU 21 HG1 GLU 21 -9.860 -5.918 -19.478 177 H GLY 22 HN GLY 22 -11.707 -1.879 -21.497 178 1HA GLY 22 HA2 GLY 22 -12.568 0.302 -21.238 179 2HA GLY 22 HA1 GLY 22 -11.779 0.395 -19.666 180 H ASP 23 HN ASP 23 -9.227 -0.539 -21.261 181 HA ASP 23 HA ASP 23 -7.338 0.631 -22.063 182 1HB ASP 23 HB2 ASP 23 -9.589 1.928 -23.624 183 2HB ASP 23 HB1 ASP 23 -7.892 2.307 -23.907 184 H LYS 24 HN LYS 24 -7.980 1.555 -19.570 185 HA LYS 24 HA LYS 24 -7.033 4.292 -19.674 186 1HB LYS 24 HB2 LYS 24 -9.689 4.198 -20.049 187 2HB LYS 24 HB1 LYS 24 -9.697 4.098 -18.292 188 1HG LYS 24 HG2 LYS 24 -9.779 6.419 -18.640 189 2HG LYS 24 HG1 LYS 24 -8.049 6.156 -18.439 190 1HD LYS 24 HD2 LYS 24 -7.814 6.024 -20.925 191 2HD LYS 24 HD1 LYS 24 -9.530 6.377 -21.077 192 1HE LYS 24 HE2 LYS 24 -7.323 8.176 -20.073 193 2HE LYS 24 HE1 LYS 24 -8.498 8.492 -21.350 194 1HZ LYS 24 HZ1 LYS 24 -9.117 8.216 -18.463 195 2HZ LYS 24 HZ3 LYS 24 -9.020 9.681 -19.309 196 3HZ LYS 24 HZ2 LYS 24 -10.239 8.560 -19.691 197 H HIS 25 HN HIS 25 -7.438 5.172 -17.137 198 HA HIS 25 HA HIS 25 -6.281 2.968 -15.470 199 1HB HIS 25 HB2 HIS 25 -6.061 5.974 -15.175 200 2HB HIS 25 HB1 HIS 25 -5.296 4.789 -14.120 201 HD1 HIS 25 HD1 HIS 25 -4.677 6.755 -17.078 202 HD2 HIS 25 HD2 HIS 25 -3.467 2.989 -15.752 203 HE1 HIS 25 HE1 HIS 25 -2.589 6.177 -18.388 204 HE2 HIS 25 HE2 HIS 25 -1.845 3.881 -17.598 205 H LYS 26 HN LYS 26 -9.236 3.614 -15.850 206 HA LYS 26 HA LYS 26 -9.869 3.990 -12.933 207 1HB LYS 26 HB2 LYS 26 -11.868 5.237 -13.561 208 2HB LYS 26 HB1 LYS 26 -10.453 6.028 -14.259 209 1HG LYS 26 HG2 LYS 26 -10.885 4.730 -16.381 210 2HG LYS 26 HG1 LYS 26 -12.415 4.206 -15.674 211 1HD LYS 26 HD2 LYS 26 -13.093 6.556 -15.392 212 2HD LYS 26 HD1 LYS 26 -11.572 7.081 -16.119 213 1HE LYS 26 HE2 LYS 26 -13.281 7.098 -17.845 214 2HE LYS 26 HE1 LYS 26 -12.165 5.772 -18.171 215 1HZ LYS 26 HZ1 LYS 26 -14.686 5.419 -16.656 216 2HZ LYS 26 HZ3 LYS 26 -14.577 5.200 -18.334 217 3HZ LYS 26 HZ2 LYS 26 -13.670 4.214 -17.291 218 H LEU 27 HN LEU 27 -11.768 2.790 -12.228 219 HA LEU 27 HA LEU 27 -12.629 0.624 -14.131 220 1HB LEU 27 HB2 LEU 27 -12.165 0.359 -11.152 221 2HB LEU 27 HB1 LEU 27 -12.622 -0.932 -12.263 222 HG LEU 27 HG LEU 27 -10.077 0.689 -12.573 223 1HD1 LEU 27 HD12 LEU 27 -10.531 -1.953 -11.162 224 2HD1 LEU 27 HD11 LEU 27 -8.943 -1.349 -11.638 225 3HD1 LEU 27 HD13 LEU 27 -9.904 -0.460 -10.459 226 1HD2 LEU 27 HD21 LEU 27 -11.163 -1.838 -13.853 227 2HD2 LEU 27 HD23 LEU 27 -10.601 -0.364 -14.643 228 3HD2 LEU 27 HD22 LEU 27 -9.443 -1.447 -13.880 229 H LYS 28 HN LYS 28 -14.819 0.145 -14.128 230 HA LYS 28 HA LYS 28 -16.554 2.013 -12.579 231 1HB LYS 28 HB2 LYS 28 -18.342 0.829 -14.154 232 2HB LYS 28 HB1 LYS 28 -17.292 2.095 -14.780 233 1HG LYS 28 HG2 LYS 28 -16.214 -0.696 -14.900 234 2HG LYS 28 HG1 LYS 28 -17.544 -0.332 -15.985 235 1HD LYS 28 HD2 LYS 28 -14.973 1.275 -15.793 236 2HD LYS 28 HD1 LYS 28 -15.324 0.068 -17.026 237 1HE LYS 28 HE2 LYS 28 -16.312 2.857 -16.798 238 2HE LYS 28 HE1 LYS 28 -16.123 1.852 -18.230 239 1HZ LYS 28 HZ1 LYS 28 -18.138 0.666 -17.593 240 2HZ LYS 28 HZ3 LYS 28 -18.319 1.684 -16.249 241 3HZ LYS 28 HZ2 LYS 28 -18.426 2.327 -17.818 242 H LYS 29 HN LYS 29 -18.795 0.810 -12.072 243 HA LYS 29 HA LYS 29 -18.291 -0.926 -9.889 244 1HB LYS 29 HB2 LYS 29 -20.369 0.459 -10.267 245 2HB LYS 29 HB1 LYS 29 -20.891 -0.764 -11.425 246 1HG LYS 29 HG2 LYS 29 -20.664 -2.493 -9.625 247 2HG LYS 29 HG1 LYS 29 -20.312 -1.201 -8.480 248 1HD LYS 29 HD2 LYS 29 -22.846 -1.496 -10.112 249 2HD LYS 29 HD1 LYS 29 -22.682 -1.811 -8.386 250 1HE LYS 29 HE2 LYS 29 -22.628 0.825 -9.836 251 2HE LYS 29 HE1 LYS 29 -23.550 0.359 -8.412 252 1HZ LYS 29 HZ1 LYS 29 -21.272 0.134 -7.303 253 2HZ LYS 29 HZ3 LYS 29 -20.691 1.060 -8.602 254 3HZ LYS 29 HZ2 LYS 29 -21.884 1.694 -7.576 255 H SER 30 HN SER 30 -19.408 -1.790 -13.212 256 HA SER 30 HA SER 30 -19.769 -4.566 -12.684 257 1HB SER 30 HB2 SER 30 -18.941 -3.153 -15.232 258 2HB SER 30 HB1 SER 30 -19.401 -4.851 -15.149 259 HG SER 30 HG SER 30 -21.023 -2.700 -14.247 260 H GLU 31 HN GLU 31 -16.877 -2.765 -13.703 261 HA GLU 31 HA GLU 31 -15.202 -5.112 -13.949 262 1HB GLU 31 HB2 GLU 31 -14.562 -2.168 -13.630 263 2HB GLU 31 HB1 GLU 31 -13.334 -3.411 -13.878 264 1HG GLU 31 HG2 GLU 31 -14.292 -4.047 -15.998 265 2HG GLU 31 HG1 GLU 31 -15.689 -3.007 -15.741 266 H LEU 32 HN LEU 32 -15.761 -2.794 -11.306 267 HA LEU 32 HA LEU 32 -13.720 -3.742 -9.588 268 1HB LEU 32 HB2 LEU 32 -14.879 -1.636 -9.161 269 2HB LEU 32 HB1 LEU 32 -16.391 -2.483 -8.892 270 HG LEU 32 HG LEU 32 -15.086 -1.730 -6.808 271 1HD1 LEU 32 HD13 LEU 32 -16.789 -3.856 -7.170 272 2HD1 LEU 32 HD12 LEU 32 -15.393 -4.657 -6.462 273 3HD1 LEU 32 HD11 LEU 32 -16.167 -3.322 -5.614 274 1HD2 LEU 32 HD22 LEU 32 -12.856 -2.544 -7.769 275 2HD2 LEU 32 HD21 LEU 32 -13.183 -2.963 -6.089 276 3HD2 LEU 32 HD23 LEU 32 -13.380 -4.173 -7.347 277 H LYS 33 HN LYS 33 -17.092 -4.870 -9.978 278 HA LYS 33 HA LYS 33 -17.032 -6.767 -7.840 279 1HB LYS 33 HB2 LYS 33 -19.088 -6.187 -9.090 280 2HB LYS 33 HB1 LYS 33 -18.430 -6.969 -10.529 281 1HG LYS 33 HG2 LYS 33 -18.294 -9.116 -9.273 282 2HG LYS 33 HG1 LYS 33 -18.994 -8.317 -7.869 283 1HD LYS 33 HD2 LYS 33 -21.059 -7.887 -9.090 284 2HD LYS 33 HD1 LYS 33 -20.358 -8.543 -10.572 285 1HE LYS 33 HE2 LYS 33 -20.000 -10.717 -9.291 286 2HE LYS 33 HE1 LYS 33 -21.004 -10.024 -8.016 287 1HZ LYS 33 HZ1 LYS 33 -22.269 -9.646 -10.490 288 2HZ LYS 33 HZ3 LYS 33 -21.834 -11.281 -10.356 289 3HZ LYS 33 HZ2 LYS 33 -22.800 -10.558 -9.159 290 H GLU 34 HN GLU 34 -16.034 -6.976 -11.248 291 HA GLU 34 HA GLU 34 -15.286 -9.740 -11.187 292 1HB GLU 34 HB2 GLU 34 -14.331 -7.465 -12.943 293 2HB GLU 34 HB1 GLU 34 -13.987 -9.170 -13.248 294 1HG GLU 34 HG2 GLU 34 -16.793 -8.055 -12.959 295 2HG GLU 34 HG1 GLU 34 -15.986 -8.268 -14.513 296 H LEU 35 HN LEU 35 -13.478 -6.761 -10.520 297 HA LEU 35 HA LEU 35 -10.873 -7.839 -10.383 298 1HB LEU 35 HB2 LEU 35 -11.823 -5.364 -10.148 299 2HB LEU 35 HB1 LEU 35 -11.739 -5.720 -8.428 300 HG LEU 35 HG LEU 35 -9.664 -4.668 -9.046 301 1HD1 LEU 35 HD13 LEU 35 -9.626 -6.747 -7.552 302 2HD1 LEU 35 HD12 LEU 35 -8.997 -7.605 -8.960 303 3HD1 LEU 35 HD11 LEU 35 -8.093 -6.261 -8.274 304 1HD2 LEU 35 HD21 LEU 35 -9.995 -5.496 -11.554 305 2HD2 LEU 35 HD23 LEU 35 -8.395 -5.130 -10.925 306 3HD2 LEU 35 HD22 LEU 35 -8.931 -6.803 -11.033 307 H ILE 36 HN ILE 36 -13.289 -7.546 -7.735 308 HA ILE 36 HA ILE 36 -11.598 -8.634 -5.714 309 HB ILE 36 HB ILE 36 -14.616 -8.759 -5.958 310 1HG1 ILE 36 HG12 ILE 36 -12.850 -6.971 -4.249 311 2HG1 ILE 36 HG11 ILE 36 -13.497 -6.486 -5.816 312 1HG2 ILE 36 HG22 ILE 36 -12.732 -9.473 -3.692 313 2HG2 ILE 36 HG21 ILE 36 -14.439 -9.122 -3.427 314 3HG2 ILE 36 HG23 ILE 36 -13.965 -10.497 -4.426 315 1HD1 ILE 36 HD11 ILE 36 -15.204 -7.409 -3.478 316 2HD1 ILE 36 HD13 ILE 36 -14.922 -5.718 -3.900 317 3HD1 ILE 36 HD12 ILE 36 -15.784 -6.775 -5.017 318 H ASN 37 HN ASN 37 -13.983 -10.300 -7.802 319 HA ASN 37 HA ASN 37 -13.219 -12.912 -6.794 320 1HB ASN 37 HB2 ASN 37 -14.820 -12.015 -9.201 321 2HB ASN 37 HB1 ASN 37 -14.524 -13.714 -8.837 322 1HD2 ASN 37 HD22 ASN 37 -17.751 -12.855 -7.216 323 2HD2 ASN 37 HD21 ASN 37 -17.167 -12.983 -8.804 324 H ASN 38 HN ASN 38 -12.081 -10.830 -9.393 325 HA ASN 38 HA ASN 38 -10.829 -12.795 -11.011 326 1HB ASN 38 HB2 ASN 38 -11.072 -10.451 -11.730 327 2HB ASN 38 HB1 ASN 38 -9.907 -9.957 -10.500 328 1HD2 ASN 38 HD22 ASN 38 -7.289 -10.448 -12.796 329 2HD2 ASN 38 HD21 ASN 38 -7.984 -9.478 -11.589 330 H GLU 39 HN GLU 39 -9.386 -10.943 -8.275 331 HA GLU 39 HA GLU 39 -7.139 -12.953 -8.287 332 1HB GLU 39 HB2 GLU 39 -7.088 -10.063 -7.382 333 2HB GLU 39 HB1 GLU 39 -5.721 -11.173 -7.405 334 1HG GLU 39 HG2 GLU 39 -5.881 -11.358 -9.844 335 2HG GLU 39 HG1 GLU 39 -7.301 -10.309 -9.839 336 H LEU 40 HN LEU 40 -9.482 -11.237 -6.287 337 HA LEU 40 HA LEU 40 -8.342 -12.531 -3.837 338 1HB LEU 40 HB2 LEU 40 -10.463 -10.373 -4.077 339 2HB LEU 40 HB1 LEU 40 -9.696 -10.927 -2.587 340 HG LEU 40 HG LEU 40 -8.254 -9.643 -4.922 341 1HD1 LEU 40 HD11 LEU 40 -9.024 -8.556 -2.197 342 2HD1 LEU 40 HD13 LEU 40 -7.999 -7.728 -3.372 343 3HD1 LEU 40 HD12 LEU 40 -9.689 -8.052 -3.752 344 1HD2 LEU 40 HD23 LEU 40 -7.356 -10.791 -2.280 345 2HD2 LEU 40 HD22 LEU 40 -6.618 -10.960 -3.874 346 3HD2 LEU 40 HD21 LEU 40 -6.472 -9.442 -2.995 347 H SER 41 HN SER 41 -9.537 -14.416 -5.394 348 HA SER 41 HA SER 41 -12.365 -14.688 -4.503 349 1HB SER 41 HB2 SER 41 -12.291 -16.754 -5.956 350 2HB SER 41 HB1 SER 41 -12.008 -15.247 -6.823 351 HG SER 41 HG SER 41 -10.494 -17.228 -7.009 352 H HIS 42 HN HIS 42 -9.404 -16.706 -4.478 353 HA HIS 42 HA HIS 42 -10.444 -18.684 -2.711 354 1HB HIS 42 HB2 HIS 42 -8.373 -18.982 -4.039 355 2HB HIS 42 HB1 HIS 42 -7.565 -17.785 -3.028 356 HD1 HIS 42 HD1 HIS 42 -9.581 -20.996 -2.411 357 HD2 HIS 42 HD2 HIS 42 -6.185 -19.031 -0.966 358 HE1 HIS 42 HE1 HIS 42 -8.598 -22.488 -0.619 359 HE2 HIS 42 HE2 HIS 42 -6.540 -21.302 0.275 360 H PHE 43 HN PHE 43 -8.508 -15.768 -2.036 361 HA PHE 43 HA PHE 43 -8.381 -16.176 0.782 362 1HB PHE 43 HB2 PHE 43 -8.108 -13.768 -1.003 363 2HB PHE 43 HB1 PHE 43 -8.094 -13.563 0.746 364 HD1 PHE 43 HD2 PHE 43 -6.498 -15.536 -2.005 365 HD2 PHE 43 HD1 PHE 43 -6.108 -13.896 1.941 366 HE1 PHE 43 HE2 PHE 43 -4.111 -16.228 -1.947 367 HE2 PHE 43 HE1 PHE 43 -3.739 -14.580 2.000 368 HZ PHE 43 HZ PHE 43 -2.730 -15.738 0.056 369 H LEU 44 HN LEU 44 -10.753 -14.453 -1.221 370 HA LEU 44 HA LEU 44 -12.488 -14.106 1.210 371 1HB LEU 44 HB2 LEU 44 -12.592 -12.649 -1.452 372 2HB LEU 44 HB1 LEU 44 -13.607 -12.319 -0.055 373 HG LEU 44 HG LEU 44 -10.597 -12.063 -0.132 374 1HD1 LEU 44 HD11 LEU 44 -12.840 -10.031 -0.186 375 2HD1 LEU 44 HD13 LEU 44 -11.139 -9.625 0.061 376 3HD1 LEU 44 HD12 LEU 44 -11.662 -10.347 -1.459 377 1HD2 LEU 44 HD21 LEU 44 -12.669 -11.771 2.038 378 2HD2 LEU 44 HD23 LEU 44 -11.059 -12.485 2.117 379 3HD2 LEU 44 HD22 LEU 44 -11.241 -10.734 2.069 380 H GLU 45 HN GLU 45 -14.252 -15.394 1.294 381 HA GLU 45 HA GLU 45 -15.593 -16.205 -1.228 382 1HB GLU 45 HB2 GLU 45 -13.975 -18.032 -0.653 383 2HB GLU 45 HB1 GLU 45 -14.773 -18.207 0.909 384 1HG GLU 45 HG2 GLU 45 -16.889 -18.745 -0.213 385 2HG GLU 45 HG1 GLU 45 -16.119 -18.539 -1.785 386 H GLU 46 HN GLU 46 -17.066 -14.572 -0.280 387 HA GLU 46 HA GLU 46 -19.139 -15.892 1.299 388 1HB GLU 46 HB2 GLU 46 -19.142 -14.032 3.029 389 2HB GLU 46 HB1 GLU 46 -17.811 -15.180 3.161 390 1HG GLU 46 HG2 GLU 46 -17.543 -12.625 1.573 391 2HG GLU 46 HG1 GLU 46 -17.218 -12.674 3.306 392 H ILE 47 HN ILE 47 -18.299 -14.072 -1.183 393 HA ILE 47 HA ILE 47 -20.480 -12.051 -0.943 394 HB ILE 47 HB ILE 47 -18.454 -12.497 -3.163 395 1HG1 ILE 47 HG12 ILE 47 -18.527 -10.301 -1.081 396 2HG1 ILE 47 HG11 ILE 47 -17.548 -11.757 -0.895 397 1HG2 ILE 47 HG21 ILE 47 -20.452 -10.275 -2.617 398 2HG2 ILE 47 HG23 ILE 47 -19.167 -10.184 -3.822 399 3HG2 ILE 47 HG22 ILE 47 -20.450 -11.382 -3.991 400 1HD1 ILE 47 HD13 ILE 47 -16.469 -11.221 -3.121 401 2HD1 ILE 47 HD12 ILE 47 -17.340 -9.688 -3.109 402 3HD1 ILE 47 HD11 ILE 47 -16.141 -10.029 -1.863 403 H LYS 48 HN LYS 48 -22.455 -12.873 -1.453 404 HA LYS 48 HA LYS 48 -22.703 -14.614 -3.889 405 1HB LYS 48 HB2 LYS 48 -23.089 -15.743 -1.611 406 2HB LYS 48 HB1 LYS 48 -24.519 -14.723 -1.471 407 1HG LYS 48 HG2 LYS 48 -25.366 -15.642 -3.613 408 2HG LYS 48 HG1 LYS 48 -23.947 -16.689 -3.701 409 1HD LYS 48 HD2 LYS 48 -24.586 -17.691 -1.503 410 2HD LYS 48 HD1 LYS 48 -26.052 -16.707 -1.518 411 1HE LYS 48 HE2 LYS 48 -25.327 -18.625 -3.745 412 2HE LYS 48 HE1 LYS 48 -26.374 -19.063 -2.393 413 1HZ LYS 48 HZ1 LYS 48 -27.519 -16.813 -3.118 414 2HZ LYS 48 HZ3 LYS 48 -26.866 -17.250 -4.622 415 3HZ LYS 48 HZ2 LYS 48 -27.932 -18.303 -3.823 416 H GLU 49 HN GLU 49 -23.623 -11.781 -2.214 417 HA GLU 49 HA GLU 49 -25.903 -11.319 -4.118 418 1HB GLU 49 HB2 GLU 49 -25.522 -10.471 -1.242 419 2HB GLU 49 HB1 GLU 49 -26.733 -9.736 -2.295 420 1HG GLU 49 HG2 GLU 49 -27.822 -11.876 -2.637 421 2HG GLU 49 HG1 GLU 49 -26.520 -12.718 -1.798 422 H GLN 50 HN GLN 50 -25.914 -9.396 -5.236 423 HA GLN 50 HA GLN 50 -23.416 -7.985 -5.523 424 1HB GLN 50 HB2 GLN 50 -24.652 -6.521 -7.058 425 2HB GLN 50 HB1 GLN 50 -25.054 -8.207 -7.364 426 1HG GLN 50 HG2 GLN 50 -27.257 -7.790 -6.996 427 2HG GLN 50 HG1 GLN 50 -26.907 -7.194 -5.378 428 1HE2 GLN 50 HE22 GLN 50 -26.955 -3.754 -6.356 429 2HE2 GLN 50 HE21 GLN 50 -26.387 -4.839 -5.183 430 H GLU 51 HN GLU 51 -26.130 -7.612 -3.412 431 HA GLU 51 HA GLU 51 -25.954 -4.830 -2.827 432 1HB GLU 51 HB2 GLU 51 -26.738 -7.192 -1.095 433 2HB GLU 51 HB1 GLU 51 -26.916 -5.511 -0.588 434 1HG GLU 51 HG2 GLU 51 -28.369 -5.060 -2.514 435 2HG GLU 51 HG1 GLU 51 -28.157 -6.715 -3.079 436 H VAL 52 HN VAL 52 -24.153 -7.629 -1.541 437 HA VAL 52 HA VAL 52 -22.748 -6.253 0.518 438 HB VAL 52 HB VAL 52 -21.905 -8.617 -1.188 439 1HG1 VAL 52 HG11 VAL 52 -20.680 -7.458 1.332 440 2HG1 VAL 52 HG13 VAL 52 -20.319 -9.071 0.716 441 3HG1 VAL 52 HG12 VAL 52 -19.899 -7.652 -0.238 442 1HG2 VAL 52 HG22 VAL 52 -23.932 -8.967 0.177 443 2HG2 VAL 52 HG21 VAL 52 -22.584 -9.925 0.789 444 3HG2 VAL 52 HG23 VAL 52 -23.056 -8.440 1.614 445 H VAL 53 HN VAL 53 -21.989 -6.667 -2.948 446 HA VAL 53 HA VAL 53 -19.406 -5.469 -2.843 447 HB VAL 53 HB VAL 53 -21.479 -5.584 -5.045 448 1HG1 VAL 53 HG13 VAL 53 -18.631 -4.580 -5.091 449 2HG1 VAL 53 HG12 VAL 53 -19.497 -5.084 -6.542 450 3HG1 VAL 53 HG11 VAL 53 -20.091 -3.722 -5.598 451 1HG2 VAL 53 HG21 VAL 53 -20.497 -7.744 -4.280 452 2HG2 VAL 53 HG23 VAL 53 -20.046 -7.352 -5.939 453 3HG2 VAL 53 HG22 VAL 53 -18.889 -7.112 -4.631 454 H ASP 54 HN ASP 54 -22.620 -4.030 -3.329 455 HA ASP 54 HA ASP 54 -21.771 -1.358 -3.805 456 1HB ASP 54 HB2 ASP 54 -24.307 -2.492 -2.602 457 2HB ASP 54 HB1 ASP 54 -24.098 -0.780 -2.968 458 H LYS 55 HN LYS 55 -22.543 -3.030 -0.754 459 HA LYS 55 HA LYS 55 -22.195 -0.770 0.965 460 1HB LYS 55 HB2 LYS 55 -23.210 -2.912 1.721 461 2HB LYS 55 HB1 LYS 55 -21.641 -3.701 1.557 462 1HG LYS 55 HG2 LYS 55 -20.669 -2.268 3.260 463 2HG LYS 55 HG1 LYS 55 -22.142 -1.303 3.344 464 1HD LYS 55 HD2 LYS 55 -22.347 -2.748 5.198 465 2HD LYS 55 HD1 LYS 55 -23.325 -3.535 3.964 466 1HE LYS 55 HE2 LYS 55 -21.539 -5.097 3.450 467 2HE LYS 55 HE1 LYS 55 -20.416 -4.236 4.504 468 1HZ LYS 55 HZ1 LYS 55 -21.944 -4.741 6.370 469 2HZ LYS 55 HZ3 LYS 55 -22.865 -5.710 5.324 470 3HZ LYS 55 HZ2 LYS 55 -21.254 -6.127 5.671 471 H VAL 56 HN VAL 56 -19.896 -3.204 -0.248 472 HA VAL 56 HA VAL 56 -17.603 -2.314 1.208 473 HB VAL 56 HB VAL 56 -17.879 -3.680 -1.482 474 1HG1 VAL 56 HG12 VAL 56 -15.430 -2.899 0.098 475 2HG1 VAL 56 HG11 VAL 56 -15.412 -4.299 -0.973 476 3HG1 VAL 56 HG13 VAL 56 -15.754 -2.702 -1.624 477 1HG2 VAL 56 HG22 VAL 56 -18.589 -4.783 0.753 478 2HG2 VAL 56 HG21 VAL 56 -17.485 -5.684 -0.282 479 3HG2 VAL 56 HG23 VAL 56 -16.866 -4.822 1.129 480 H MET 57 HN MET 57 -18.937 -1.318 -1.902 481 HA MET 57 HA MET 57 -16.820 0.421 -2.685 482 1HB MET 57 HB2 MET 57 -19.784 0.502 -3.292 483 2HB MET 57 HB1 MET 57 -18.595 1.529 -4.091 484 1HG MET 57 HG2 MET 57 -18.337 -1.481 -4.023 485 2HG MET 57 HG1 MET 57 -19.209 -0.645 -5.307 486 1HE MET 57 HE2 MET 57 -18.464 1.262 -6.418 487 2HE MET 57 HE1 MET 57 -16.817 1.830 -6.666 488 3HE MET 57 HE3 MET 57 -17.445 0.485 -7.625 489 H GLU 58 HN GLU 58 -19.715 1.040 -0.708 490 HA GLU 58 HA GLU 58 -19.382 3.865 -0.495 491 1HB GLU 58 HB2 GLU 58 -20.680 1.844 1.340 492 2HB GLU 58 HB1 GLU 58 -20.721 3.579 1.654 493 1HG GLU 58 HG2 GLU 58 -21.861 3.992 -0.455 494 2HG GLU 58 HG1 GLU 58 -21.695 2.301 -0.927 495 H THR 59 HN THR 59 -17.989 1.213 1.422 496 HA THR 59 HA THR 59 -16.869 2.980 3.411 497 HB THR 59 HB THR 59 -16.042 0.155 2.684 498 HG1 THR 59 HG1 THR 59 -17.842 -0.342 3.620 499 1HG2 THR 59 HG21 THR 59 -15.406 1.992 4.992 500 2HG2 THR 59 HG23 THR 59 -15.396 0.245 5.208 501 3HG2 THR 59 HG22 THR 59 -14.301 0.994 4.046 502 H LEU 60 HN LEU 60 -15.421 1.325 0.577 503 HA LEU 60 HA LEU 60 -12.857 2.594 1.078 504 1HB LEU 60 HB2 LEU 60 -12.033 1.387 -0.790 505 2HB LEU 60 HB1 LEU 60 -13.180 0.327 0.011 506 HG LEU 60 HG LEU 60 -14.871 1.525 -1.763 507 1HD1 LEU 60 HD13 LEU 60 -12.158 1.397 -3.122 508 2HD1 LEU 60 HD12 LEU 60 -13.687 1.677 -3.951 509 3HD1 LEU 60 HD11 LEU 60 -13.071 2.867 -2.811 510 1HD2 LEU 60 HD21 LEU 60 -14.432 -0.934 -1.470 511 2HD2 LEU 60 HD23 LEU 60 -14.655 -0.468 -3.154 512 3HD2 LEU 60 HD22 LEU 60 -13.037 -0.778 -2.526 513 H ASP 61 HN ASP 61 -15.511 3.203 -1.206 514 HA ASP 61 HA ASP 61 -14.039 5.375 -2.508 515 1HB ASP 61 HB2 ASP 61 -15.784 3.964 -3.646 516 2HB ASP 61 HB1 ASP 61 -16.996 4.746 -2.633 517 H GLU 62 HN GLU 62 -13.569 6.991 -0.946 518 HA GLU 62 HA GLU 62 -15.466 7.979 0.978 519 1HB GLU 62 HB2 GLU 62 -13.022 9.322 -0.232 520 2HB GLU 62 HB1 GLU 62 -13.923 9.938 1.152 521 1HG GLU 62 HG2 GLU 62 -12.109 8.717 2.081 522 2HG GLU 62 HG1 GLU 62 -13.516 7.665 2.249 523 H ASP 63 HN ASP 63 -14.638 9.001 -2.362 524 HA ASP 63 HA ASP 63 -16.301 11.352 -2.351 525 1HB ASP 63 HB2 ASP 63 -15.388 9.586 -4.648 526 2HB ASP 63 HB1 ASP 63 -16.291 11.083 -4.872 527 H GLY 64 HN GLY 64 -16.941 7.997 -3.361 528 1HA GLY 64 HA2 GLY 64 -19.025 6.874 -3.499 529 2HA GLY 64 HA1 GLY 64 -19.769 8.279 -2.728 530 H ASP 65 HN ASP 65 -17.787 8.472 -5.617 531 HA ASP 65 HA ASP 65 -20.016 9.755 -7.054 532 1HB ASP 65 HB2 ASP 65 -18.268 10.281 -8.731 533 2HB ASP 65 HB1 ASP 65 -17.754 10.757 -7.108 534 H GLY 66 HN GLY 66 -19.009 6.583 -6.666 535 1HA GLY 66 HA2 GLY 66 -19.977 4.720 -7.793 536 2HA GLY 66 HA1 GLY 66 -20.490 5.790 -9.095 537 H GLU 67 HN GLU 67 -17.361 6.635 -8.603 538 HA GLU 67 HA GLU 67 -16.331 4.625 -10.582 539 1HB GLU 67 HB2 GLU 67 -15.739 7.584 -10.276 540 2HB GLU 67 HB1 GLU 67 -14.766 6.506 -11.277 541 1HG GLU 67 HG2 GLU 67 -17.761 6.827 -11.590 542 2HG GLU 67 HG1 GLU 67 -16.577 7.737 -12.530 543 H CYS 68 HN CYS 68 -14.358 3.674 -10.157 544 HA CYS 68 HA CYS 68 -13.243 4.084 -7.429 545 1HB CYS 68 HB2 CYS 68 -12.872 1.947 -9.539 546 2HB CYS 68 HB1 CYS 68 -11.884 2.013 -8.081 547 HG CYS 68 HG CYS 68 -14.250 1.868 -6.731 548 H ASP 69 HN ASP 69 -11.631 5.531 -7.246 549 HA ASP 69 HA ASP 69 -9.915 6.174 -9.569 550 1HB ASP 69 HB2 ASP 69 -10.133 7.337 -6.781 551 2HB ASP 69 HB1 ASP 69 -8.926 7.860 -7.954 552 H PHE 70 HN PHE 70 -7.583 6.040 -9.393 553 HA PHE 70 HA PHE 70 -6.632 3.567 -8.388 554 1HB PHE 70 HB2 PHE 70 -5.451 4.706 -10.162 555 2HB PHE 70 HB1 PHE 70 -5.161 6.107 -9.129 556 HD1 PHE 70 HD1 PHE 70 -4.690 2.377 -8.968 557 HD2 PHE 70 HD2 PHE 70 -3.020 6.266 -8.190 558 HE1 PHE 70 HE1 PHE 70 -2.612 1.317 -8.115 559 HE2 PHE 70 HE2 PHE 70 -0.956 5.198 -7.321 560 HZ PHE 70 HZ PHE 70 -0.748 2.733 -7.292 561 H GLN 71 HN GLN 71 -6.355 6.846 -6.975 562 HA GLN 71 HA GLN 71 -4.814 6.067 -4.705 563 1HB GLN 71 HB2 GLN 71 -5.780 8.143 -3.641 564 2HB GLN 71 HB1 GLN 71 -5.046 8.412 -5.221 565 1HG GLN 71 HG2 GLN 71 -7.356 8.157 -6.226 566 2HG GLN 71 HG1 GLN 71 -7.989 8.170 -4.579 567 1HE2 GLN 71 HE22 GLN 71 -8.184 11.709 -5.061 568 2HE2 GLN 71 HE21 GLN 71 -9.089 10.272 -5.046 569 H GLU 72 HN GLU 72 -8.328 6.195 -5.204 570 HA GLU 72 HA GLU 72 -9.091 5.475 -2.555 571 1HB GLU 72 HB2 GLU 72 -10.400 5.036 -5.242 572 2HB GLU 72 HB1 GLU 72 -11.180 4.591 -3.722 573 1HG GLU 72 HG2 GLU 72 -10.959 6.933 -2.936 574 2HG GLU 72 HG1 GLU 72 -10.195 7.367 -4.461 575 H PHE 73 HN PHE 73 -8.177 3.508 -5.367 576 HA PHE 73 HA PHE 73 -8.790 0.945 -4.278 577 1HB PHE 73 HB2 PHE 73 -8.142 1.297 -6.648 578 2HB PHE 73 HB1 PHE 73 -6.507 1.703 -6.128 579 HD1 PHE 73 HD1 PHE 73 -5.034 -0.032 -5.101 580 HD2 PHE 73 HD2 PHE 73 -8.939 -0.951 -6.638 581 HE1 PHE 73 HE1 PHE 73 -4.465 -2.445 -5.111 582 HE2 PHE 73 HE2 PHE 73 -8.385 -3.354 -6.638 583 HZ PHE 73 HZ PHE 73 -6.140 -4.111 -5.887 584 H MET 74 HN MET 74 -5.875 3.006 -3.925 585 HA MET 74 HA MET 74 -4.313 1.075 -2.507 586 1HB MET 74 HB2 MET 74 -4.310 4.099 -2.236 587 2HB MET 74 HB1 MET 74 -3.072 3.025 -1.587 588 1HG MET 74 HG2 MET 74 -3.810 3.238 -4.524 589 2HG MET 74 HG1 MET 74 -2.405 4.002 -3.784 590 1HE MET 74 HE2 MET 74 -0.854 2.929 -2.382 591 2HE MET 74 HE1 MET 74 -1.330 1.382 -1.688 592 3HE MET 74 HE3 MET 74 -0.001 1.461 -2.851 593 H ALA 75 HN ALA 75 -6.751 3.417 -1.379 594 HA ALA 75 HA ALA 75 -6.397 2.998 1.423 595 1HB ALA 75 HB2 ALA 75 -8.860 3.732 -0.192 596 2HB ALA 75 HB1 ALA 75 -8.844 3.679 1.570 597 3HB ALA 75 HB3 ALA 75 -7.806 4.820 0.712 598 H PHE 76 HN PHE 76 -8.393 1.262 -0.965 599 HA PHE 76 HA PHE 76 -9.716 -0.477 0.847 600 1HB PHE 76 HB2 PHE 76 -10.389 -0.301 -1.500 601 2HB PHE 76 HB1 PHE 76 -8.834 -0.950 -2.019 602 HD1 PHE 76 HD1 PHE 76 -8.253 -3.331 -1.623 603 HD2 PHE 76 HD2 PHE 76 -12.113 -1.763 -0.568 604 HE1 PHE 76 HE1 PHE 76 -9.138 -5.649 -1.409 605 HE2 PHE 76 HE2 PHE 76 -12.996 -4.070 -0.367 606 HZ PHE 76 HZ PHE 76 -11.511 -6.012 -0.779 607 H VAL 77 HN VAL 77 -6.587 -0.804 -0.811 608 HA VAL 77 HA VAL 77 -5.978 -3.440 0.093 609 HB VAL 77 HB VAL 77 -4.209 -1.100 -0.667 610 1HG1 VAL 77 HG12 VAL 77 -3.465 -3.967 -0.017 611 2HG1 VAL 77 HG11 VAL 77 -2.419 -2.876 -0.926 612 3HG1 VAL 77 HG13 VAL 77 -2.839 -2.503 0.744 613 1HG2 VAL 77 HG21 VAL 77 -5.132 -3.622 -2.073 614 2HG2 VAL 77 HG23 VAL 77 -5.509 -1.956 -2.509 615 3HG2 VAL 77 HG22 VAL 77 -3.867 -2.568 -2.706 616 H SER 78 HN SER 78 -5.415 -0.250 1.590 617 HA SER 78 HA SER 78 -3.897 -1.264 3.815 618 1HB SER 78 HB2 SER 78 -4.225 0.893 4.811 619 2HB SER 78 HB1 SER 78 -4.052 1.155 3.077 620 HG SER 78 HG SER 78 -5.966 2.044 4.486 621 H MET 79 HN MET 79 -7.377 -0.689 3.349 622 HA MET 79 HA MET 79 -8.160 -1.197 6.038 623 1HB MET 79 HB2 MET 79 -9.673 -0.232 4.308 624 2HB MET 79 HB1 MET 79 -9.738 -1.807 3.519 625 1HG MET 79 HG2 MET 79 -10.674 -2.793 5.604 626 2HG MET 79 HG1 MET 79 -10.625 -1.201 6.355 627 1HE MET 79 HE2 MET 79 -11.607 -3.251 3.467 628 2HE MET 79 HE1 MET 79 -13.226 -2.751 2.981 629 3HE MET 79 HE3 MET 79 -11.815 -1.839 2.433 630 H VAL 80 HN VAL 80 -7.742 -3.432 3.301 631 HA VAL 80 HA VAL 80 -8.662 -5.756 4.685 632 HB VAL 80 HB VAL 80 -6.766 -5.388 2.357 633 1HG1 VAL 80 HG11 VAL 80 -7.783 -7.887 3.715 634 2HG1 VAL 80 HG13 VAL 80 -7.402 -7.890 1.990 635 3HG1 VAL 80 HG12 VAL 80 -6.150 -7.505 3.168 636 1HG2 VAL 80 HG21 VAL 80 -9.694 -6.126 2.630 637 2HG2 VAL 80 HG23 VAL 80 -9.015 -4.694 1.855 638 3HG2 VAL 80 HG22 VAL 80 -8.791 -6.282 1.125 639 H THR 81 HN THR 81 -5.429 -4.341 4.312 640 HA THR 81 HA THR 81 -4.016 -6.424 5.691 641 HB THR 81 HB THR 81 -3.271 -3.493 5.444 642 HG1 THR 81 HG1 THR 81 -3.694 -4.372 3.435 643 1HG2 THR 81 HG21 THR 81 -1.943 -4.968 7.045 644 2HG2 THR 81 HG23 THR 81 -1.480 -5.925 5.639 645 3HG2 THR 81 HG22 THR 81 -1.011 -4.230 5.746 646 H THR 82 HN THR 82 -5.473 -3.373 6.802 647 HA THR 82 HA THR 82 -4.500 -3.528 9.485 648 HB THR 82 HB THR 82 -6.539 -2.046 9.966 649 HG1 THR 82 HG1 THR 82 -7.411 -3.117 7.845 650 1HG2 THR 82 HG22 THR 82 -4.700 -1.266 7.680 651 2HG2 THR 82 HG21 THR 82 -5.626 -0.145 8.673 652 3HG2 THR 82 HG23 THR 82 -4.328 -1.097 9.395 653 H ALA 83 HN ALA 83 -7.418 -4.812 7.921 654 HA ALA 83 HA ALA 83 -8.632 -5.815 10.330 655 1HB ALA 83 HB3 ALA 83 -9.743 -5.467 8.051 656 2HB ALA 83 HB2 ALA 83 -8.963 -6.967 7.548 657 3HB ALA 83 HB1 ALA 83 -10.134 -6.979 8.868 658 H CYS 84 HN CYS 84 -5.998 -6.839 8.391 659 HA CYS 84 HA CYS 84 -5.989 -9.639 8.793 660 1HB CYS 84 HB2 CYS 84 -4.378 -8.130 7.403 661 2HB CYS 84 HB1 CYS 84 -3.463 -7.987 8.903 662 HG CYS 84 HG CYS 84 -4.100 -10.817 7.742 663 H HIS 85 HN HIS 85 -3.816 -10.422 10.248 664 HA HIS 85 HA HIS 85 -4.190 -9.293 12.996 665 1HB HIS 85 HB2 HIS 85 -4.063 -11.695 13.839 666 2HB HIS 85 HB1 HIS 85 -5.569 -11.239 13.043 667 HD1 HIS 85 HD1 HIS 85 -5.331 -11.678 10.241 668 HD2 HIS 85 HD2 HIS 85 -3.217 -14.139 12.862 669 HE1 HIS 85 HE1 HIS 85 -4.799 -13.790 8.960 670 HE2 HIS 85 HE2 HIS 85 -3.433 -15.259 10.519 671 H GLU 86 HN GLU 86 -2.466 -10.376 14.496 672 HA GLU 86 HA GLU 86 0.078 -9.488 13.736 673 1HB GLU 86 HB2 GLU 86 -0.739 -11.590 15.757 674 2HB GLU 86 HB1 GLU 86 0.904 -10.963 15.622 675 1HG GLU 86 HG2 GLU 86 0.060 -8.671 16.001 676 2HG GLU 86 HG1 GLU 86 -1.580 -9.305 16.158 677 H PHE 87 HN PHE 87 -0.620 -13.002 14.143 678 HA PHE 87 HA PHE 87 1.639 -13.608 12.336 679 1HB PHE 87 HB2 PHE 87 -0.265 -15.458 13.813 680 2HB PHE 87 HB1 PHE 87 1.188 -15.962 12.950 681 HD1 PHE 87 HD2 PHE 87 3.417 -14.705 13.647 682 HD2 PHE 87 HD1 PHE 87 -0.102 -14.976 16.099 683 HE1 PHE 87 HE2 PHE 87 4.773 -14.189 15.663 684 HE2 PHE 87 HE1 PHE 87 1.256 -14.482 18.102 685 HZ PHE 87 HZ PHE 87 3.687 -14.079 17.888 686 H PHE 88 HN PHE 88 1.257 -13.616 10.169 687 HA PHE 88 HA PHE 88 -1.443 -14.325 9.150 688 1HB PHE 88 HB2 PHE 88 -0.071 -12.270 8.356 689 2HB PHE 88 HB1 PHE 88 0.891 -13.435 7.455 690 HD1 PHE 88 HD2 PHE 88 -2.758 -12.777 8.137 691 HD2 PHE 88 HD1 PHE 88 0.245 -13.812 5.242 692 HE1 PHE 88 HE2 PHE 88 -4.488 -12.845 6.375 693 HE2 PHE 88 HE1 PHE 88 -1.493 -13.891 3.472 694 HZ PHE 88 HZ PHE 88 -3.867 -13.412 4.038 695 H GLU 89 HN GLU 89 1.708 -14.997 7.635 696 HA GLU 89 HA GLU 89 0.893 -17.888 7.443 697 1HB GLU 89 HB2 GLU 89 2.379 -16.130 5.477 698 2HB GLU 89 HB1 GLU 89 2.327 -17.888 5.357 699 1HG GLU 89 HG2 GLU 89 -0.168 -16.183 5.510 700 2HG GLU 89 HG1 GLU 89 0.579 -16.664 3.986 701 H HIS 90 HN HIS 90 3.444 -15.593 8.163 702 HA HIS 90 HA HIS 90 5.570 -17.549 8.249 703 1HB HIS 90 HB2 HIS 90 6.576 -15.687 9.871 704 2HB HIS 90 HB1 HIS 90 6.439 -15.395 8.139 705 HD1 HIS 90 HD1 HIS 90 6.165 -12.829 8.530 706 HD2 HIS 90 HD2 HIS 90 3.140 -15.138 10.232 707 HE1 HIS 90 HE1 HIS 90 4.317 -11.222 9.179 708 HE2 HIS 90 HE2 HIS 90 2.462 -12.616 10.198 709 H GLU 91 HN GLU 91 6.518 -18.518 10.133 710 HA GLU 91 HA GLU 91 4.511 -19.237 12.169 711 1HB GLU 91 HB2 GLU 91 7.365 -20.162 11.723 712 2HB GLU 91 HB1 GLU 91 6.261 -20.841 12.917 713 1HG GLU 91 HG2 GLU 91 5.663 -20.747 9.949 714 2HG GLU 91 HG1 GLU 91 6.364 -22.148 10.766 715 1H MET 0 HT3 MET 0 -1.054 -16.315 -6.449 716 2H MET 0 HT2 MET 0 -1.823 -17.645 -5.723 717 3H MET 0 HT1 MET 0 -0.734 -17.882 -7.006 718 HA MET 0 HA MET 0 -2.534 -17.947 -8.303 719 1HB MET 0 HB2 MET 0 -3.903 -16.515 -6.008 720 2HB MET 0 HB1 MET 0 -4.727 -16.944 -7.508 721 1HG MET 0 HG2 MET 0 -3.214 -18.997 -5.891 722 2HG MET 0 HG1 MET 0 -4.911 -18.626 -5.572 723 1HE MET 0 HE1 MET 0 -3.778 -21.370 -6.230 724 2HE MET 0 HE3 MET 0 -3.982 -21.992 -7.871 725 3HE MET 0 HE2 MET 0 -2.607 -20.959 -7.481 726 H SER 1 HN SER 1 -1.757 -14.903 -6.716 727 HA SER 1 HA SER 1 -1.743 -13.579 -9.380 728 1HB SER 1 HB2 SER 1 -3.991 -13.166 -8.414 729 2HB SER 1 HB1 SER 1 -3.240 -12.489 -6.975 730 HG SER 1 HG SER 1 -2.114 -11.171 -8.823 731 H GLU 2 HN GLU 2 -0.346 -11.774 -9.457 732 HA GLU 2 HA GLU 2 1.861 -11.841 -7.596 733 1HB GLU 2 HB2 GLU 2 1.137 -9.914 -9.818 734 2HB GLU 2 HB1 GLU 2 2.623 -9.792 -8.870 735 1HG GLU 2 HG2 GLU 2 3.281 -12.058 -9.544 736 2HG GLU 2 HG1 GLU 2 1.772 -12.251 -10.433 737 H LEU 3 HN LEU 3 -1.071 -9.927 -7.815 738 HA LEU 3 HA LEU 3 -0.320 -7.701 -6.204 739 1HB LEU 3 HB2 LEU 3 -2.431 -7.727 -7.441 740 2HB LEU 3 HB1 LEU 3 -3.015 -9.085 -6.487 741 HG LEU 3 HG LEU 3 -2.961 -7.668 -4.450 742 1HD1 LEU 3 HD13 LEU 3 -1.927 -5.623 -6.423 743 2HD1 LEU 3 HD12 LEU 3 -2.729 -5.137 -4.930 744 3HD1 LEU 3 HD11 LEU 3 -1.240 -6.074 -4.861 745 1HD2 LEU 3 HD21 LEU 3 -4.448 -6.529 -6.832 746 2HD2 LEU 3 HD23 LEU 3 -5.027 -7.783 -5.739 747 3HD2 LEU 3 HD22 LEU 3 -4.813 -6.131 -5.154 748 H GLU 4 HN GLU 4 -1.830 -10.791 -5.250 749 HA GLU 4 HA GLU 4 -1.815 -10.260 -2.442 750 1HB GLU 4 HB2 GLU 4 -3.166 -12.054 -3.448 751 2HB GLU 4 HB1 GLU 4 -1.703 -12.907 -3.930 752 1HG GLU 4 HG2 GLU 4 -2.644 -13.877 -1.870 753 2HG GLU 4 HG1 GLU 4 -1.071 -13.155 -1.549 754 H LYS 5 HN LYS 5 0.579 -11.765 -4.584 755 HA LYS 5 HA LYS 5 2.431 -12.596 -2.571 756 1HB LYS 5 HB2 LYS 5 2.553 -13.300 -4.948 757 2HB LYS 5 HB1 LYS 5 2.987 -11.657 -5.403 758 1HG LYS 5 HG2 LYS 5 5.176 -12.183 -5.050 759 2HG LYS 5 HG1 LYS 5 4.824 -12.363 -3.334 760 1HD LYS 5 HD2 LYS 5 4.436 -14.589 -5.360 761 2HD LYS 5 HD1 LYS 5 5.907 -14.373 -4.415 762 1HE LYS 5 HE2 LYS 5 4.524 -14.508 -2.325 763 2HE LYS 5 HE1 LYS 5 3.120 -14.882 -3.324 764 1HZ LYS 5 HZ1 LYS 5 4.462 -16.764 -4.249 765 2HZ LYS 5 HZ3 LYS 5 5.610 -16.465 -3.036 766 3HZ LYS 5 HZ2 LYS 5 4.033 -16.932 -2.614 767 H ALA 6 HN ALA 6 2.146 -9.542 -4.381 768 HA ALA 6 HA ALA 6 4.408 -8.234 -3.233 769 1HB ALA 6 HB2 ALA 6 3.079 -7.389 -5.189 770 2HB ALA 6 HB1 ALA 6 1.783 -6.977 -4.065 771 3HB ALA 6 HB3 ALA 6 3.338 -6.163 -3.944 772 H MET 7 HN MET 7 1.057 -8.562 -2.112 773 HA MET 7 HA MET 7 1.238 -6.762 0.092 774 1HB MET 7 HB2 MET 7 -0.878 -7.756 -0.781 775 2HB MET 7 HB1 MET 7 -0.412 -9.304 -0.076 776 1HG MET 7 HG2 MET 7 -0.275 -8.165 2.161 777 2HG MET 7 HG1 MET 7 -0.908 -6.706 1.403 778 1HE MET 7 HE3 MET 7 -3.079 -6.235 0.693 779 2HE MET 7 HE2 MET 7 -3.232 -7.471 -0.556 780 3HE MET 7 HE1 MET 7 -4.492 -7.292 0.663 781 H VAL 8 HN VAL 8 1.877 -10.283 -0.080 782 HA VAL 8 HA VAL 8 2.558 -10.620 2.679 783 HB VAL 8 HB VAL 8 3.364 -12.164 0.190 784 1HG1 VAL 8 HG12 VAL 8 3.870 -12.703 3.116 785 2HG1 VAL 8 HG11 VAL 8 3.816 -14.008 1.930 786 3HG1 VAL 8 HG13 VAL 8 5.022 -12.729 1.782 787 1HG2 VAL 8 HG23 VAL 8 0.931 -12.088 0.786 788 2HG2 VAL 8 HG22 VAL 8 1.607 -13.713 0.889 789 3HG2 VAL 8 HG21 VAL 8 1.327 -12.779 2.359 790 H ALA 9 HN ALA 9 4.563 -9.964 -0.179 791 HA ALA 9 HA ALA 9 7.102 -10.020 1.107 792 1HB ALA 9 HB3 ALA 9 6.717 -9.987 -1.372 793 2HB ALA 9 HB2 ALA 9 6.258 -8.290 -1.240 794 3HB ALA 9 HB1 ALA 9 7.903 -8.792 -0.849 795 H LEU 10 HN LEU 10 4.779 -7.349 0.648 796 HA LEU 10 HA LEU 10 6.425 -5.279 1.673 797 1HB LEU 10 HB2 LEU 10 4.297 -4.844 0.514 798 2HB LEU 10 HB1 LEU 10 3.411 -5.593 1.842 799 HG LEU 10 HG LEU 10 4.274 -3.858 3.386 800 1HD1 LEU 10 HD12 LEU 10 5.718 -2.970 0.892 801 2HD1 LEU 10 HD11 LEU 10 5.299 -1.798 2.142 802 3HD1 LEU 10 HD13 LEU 10 6.348 -3.158 2.530 803 1HD2 LEU 10 HD23 LEU 10 2.883 -2.923 0.865 804 2HD2 LEU 10 HD22 LEU 10 2.139 -3.424 2.385 805 3HD2 LEU 10 HD21 LEU 10 3.049 -1.915 2.303 806 H ILE 11 HN ILE 11 4.153 -7.470 3.363 807 HA ILE 11 HA ILE 11 4.585 -6.304 5.950 808 HB ILE 11 HB ILE 11 3.745 -9.115 5.165 809 1HG1 ILE 11 HG12 ILE 11 2.027 -6.819 6.173 810 2HG1 ILE 11 HG11 ILE 11 2.259 -7.153 4.457 811 1HG2 ILE 11 HG21 ILE 11 3.709 -7.676 7.834 812 2HG2 ILE 11 HG23 ILE 11 2.801 -9.149 7.507 813 3HG2 ILE 11 HG22 ILE 11 4.561 -9.169 7.441 814 1HD1 ILE 11 HD11 ILE 11 1.155 -9.122 6.485 815 2HD1 ILE 11 HD13 ILE 11 0.189 -8.204 5.327 816 3HD1 ILE 11 HD12 ILE 11 1.338 -9.412 4.755 817 H ASP 12 HN ASP 12 6.178 -9.014 4.263 818 HA ASP 12 HA ASP 12 7.791 -9.915 6.416 819 1HB ASP 12 HB2 ASP 12 7.502 -11.117 4.260 820 2HB ASP 12 HB1 ASP 12 8.489 -9.890 3.468 821 H VAL 13 HN VAL 13 8.476 -7.417 3.954 822 HA VAL 13 HA VAL 13 11.150 -6.897 4.802 823 HB VAL 13 HB VAL 13 9.105 -5.097 3.484 824 1HG1 VAL 13 HG11 VAL 13 12.027 -4.652 4.133 825 2HG1 VAL 13 HG13 VAL 13 11.196 -3.760 2.858 826 3HG1 VAL 13 HG12 VAL 13 10.658 -3.614 4.529 827 1HG2 VAL 13 HG22 VAL 13 10.028 -7.202 2.315 828 2HG2 VAL 13 HG21 VAL 13 10.202 -5.679 1.444 829 3HG2 VAL 13 HG23 VAL 13 11.582 -6.371 2.298 830 H PHE 14 HN PHE 14 8.081 -5.324 5.783 831 HA PHE 14 HA PHE 14 9.275 -3.495 7.609 832 1HB PHE 14 HB2 PHE 14 6.907 -3.382 6.842 833 2HB PHE 14 HB1 PHE 14 6.551 -4.807 7.818 834 HD1 PHE 14 HD1 PHE 14 7.529 -1.245 7.922 835 HD2 PHE 14 HD2 PHE 14 6.427 -4.690 10.235 836 HE1 PHE 14 HE1 PHE 14 7.209 0.193 9.910 837 HE2 PHE 14 HE2 PHE 14 6.108 -3.239 12.228 838 HZ PHE 14 HZ PHE 14 6.501 -0.798 12.058 839 H HIS 15 HN HIS 15 7.879 -6.739 8.177 840 HA HIS 15 HA HIS 15 8.535 -6.852 10.958 841 1HB HIS 15 HB2 HIS 15 6.970 -8.439 9.914 842 2HB HIS 15 HB1 HIS 15 8.284 -9.107 8.945 843 HD1 HIS 15 HD1 HIS 15 7.415 -8.606 12.628 844 HD2 HIS 15 HD2 HIS 15 9.663 -11.141 10.198 845 HE1 HIS 15 HE1 HIS 15 8.357 -10.410 14.144 846 HE2 HIS 15 HE2 HIS 15 9.743 -11.946 12.676 847 H GLN 16 HN GLN 16 10.337 -7.855 8.059 848 HA GLN 16 HA GLN 16 12.497 -9.131 9.406 849 1HB GLN 16 HB2 GLN 16 11.978 -9.190 6.913 850 2HB GLN 16 HB1 GLN 16 12.708 -7.589 6.818 851 1HG GLN 16 HG2 GLN 16 14.447 -9.134 6.290 852 2HG GLN 16 HG1 GLN 16 14.766 -8.595 7.939 853 1HE2 GLN 16 HE22 GLN 16 12.789 -12.058 8.393 854 2HE2 GLN 16 HE21 GLN 16 12.034 -10.589 8.005 855 H TYR 17 HN TYR 17 12.285 -5.781 8.133 856 HA TYR 17 HA TYR 17 14.814 -4.990 9.234 857 1HB TYR 17 HB2 TYR 17 13.589 -3.752 7.430 858 2HB TYR 17 HB1 TYR 17 12.424 -3.222 8.642 859 HD1 TYR 17 HD1 TYR 17 13.115 -1.720 10.488 860 HD2 TYR 17 HD2 TYR 17 15.819 -2.828 7.340 861 HE1 TYR 17 HE1 TYR 17 14.641 0.124 11.146 862 HE2 TYR 17 HE2 TYR 17 17.350 -0.999 8.007 863 HH TYR 17 HH TYR 17 17.830 0.461 9.681 864 H SER 18 HN SER 18 11.477 -4.545 10.391 865 HA SER 18 HA SER 18 12.235 -3.226 12.831 866 1HB SER 18 HB2 SER 18 9.936 -3.644 13.549 867 2HB SER 18 HB1 SER 18 9.942 -3.107 11.868 868 HG SER 18 HG SER 18 10.243 -5.750 11.918 869 H GLY 19 HN GLY 19 11.588 -6.638 12.024 870 1HA GLY 19 HA2 GLY 19 11.706 -7.579 14.718 871 2HA GLY 19 HA1 GLY 19 11.958 -8.568 13.284 872 H ARG 20 HN ARG 20 14.250 -7.455 12.190 873 HA ARG 20 HA ARG 20 16.259 -8.647 13.803 874 1HB ARG 20 HB2 ARG 20 16.086 -7.589 11.195 875 2HB ARG 20 HB1 ARG 20 17.349 -6.636 11.961 876 1HG ARG 20 HG2 ARG 20 18.514 -8.465 11.049 877 2HG ARG 20 HG1 ARG 20 18.313 -8.927 12.737 878 1HD ARG 20 HD2 ARG 20 16.395 -10.343 12.156 879 2HD ARG 20 HD1 ARG 20 16.463 -9.796 10.484 880 HE ARG 20 HE ARG 20 18.998 -10.868 11.029 881 1HH1 ARG 20 HH21 ARG 20 15.704 -11.882 11.024 882 2HH1 ARG 20 HH22 ARG 20 16.083 -13.553 10.767 883 1HH2 ARG 20 HH11 ARG 20 19.515 -13.031 10.701 884 2HH2 ARG 20 HH12 ARG 20 18.247 -14.203 10.567 885 H GLU 21 HN GLU 21 15.359 -5.215 13.439 886 HA GLU 21 HA GLU 21 17.280 -4.507 15.625 887 1HB GLU 21 HB2 GLU 21 15.876 -2.862 13.504 888 2HB GLU 21 HB1 GLU 21 16.729 -2.125 14.863 889 1HG GLU 21 HG2 GLU 21 18.807 -3.163 14.204 890 2HG GLU 21 HG1 GLU 21 17.996 -4.121 12.966 891 H GLY 22 HN GLY 22 16.487 -4.002 17.620 892 1HA GLY 22 HA2 GLY 22 14.967 -3.172 19.226 893 2HA GLY 22 HA1 GLY 22 13.823 -2.842 17.930 894 H ASP 23 HN ASP 23 14.397 -5.827 17.108 895 HA ASP 23 HA ASP 23 13.174 -7.819 17.397 896 1HB ASP 23 HB2 ASP 23 13.854 -6.993 20.219 897 2HB ASP 23 HB1 ASP 23 13.013 -8.500 19.869 898 H LYS 24 HN LYS 24 11.457 -5.767 16.792 899 HA LYS 24 HA LYS 24 9.006 -6.666 18.064 900 1HB LYS 24 HB2 LYS 24 10.247 -4.803 19.559 901 2HB LYS 24 HB1 LYS 24 9.439 -3.718 18.436 902 1HG LYS 24 HG2 LYS 24 7.833 -3.931 20.134 903 2HG LYS 24 HG1 LYS 24 7.301 -5.159 18.992 904 1HD LYS 24 HD2 LYS 24 8.528 -6.880 20.293 905 2HD LYS 24 HD1 LYS 24 9.013 -5.640 21.445 906 1HE LYS 24 HE2 LYS 24 6.268 -6.762 20.924 907 2HE LYS 24 HE1 LYS 24 7.122 -6.599 22.456 908 1HZ LYS 24 HZ1 LYS 24 6.911 -4.176 22.239 909 2HZ LYS 24 HZ3 LYS 24 6.025 -4.382 20.809 910 3HZ LYS 24 HZ2 LYS 24 5.395 -4.945 22.284 911 H HIS 25 HN HIS 25 7.194 -4.874 17.264 912 HA HIS 25 HA HIS 25 7.669 -4.650 14.323 913 1HB HIS 25 HB2 HIS 25 5.075 -4.673 15.881 914 2HB HIS 25 HB1 HIS 25 5.225 -4.601 14.126 915 HD1 HIS 25 HD1 HIS 25 4.828 -6.968 16.804 916 HD2 HIS 25 HD2 HIS 25 6.769 -7.008 13.117 917 HE1 HIS 25 HE1 HIS 25 5.234 -9.406 16.234 918 HE2 HIS 25 HE2 HIS 25 6.429 -9.438 13.994 919 H LYS 26 HN LYS 26 8.447 -2.579 16.438 920 HA LYS 26 HA LYS 26 6.950 -0.292 15.182 921 1HB LYS 26 HB2 LYS 26 7.017 0.888 17.308 922 2HB LYS 26 HB1 LYS 26 6.218 -0.667 17.531 923 1HG LYS 26 HG2 LYS 26 8.462 -1.600 18.252 924 2HG LYS 26 HG1 LYS 26 9.063 0.058 18.269 925 1HD LYS 26 HD2 LYS 26 7.278 0.670 19.882 926 2HD LYS 26 HD1 LYS 26 6.736 -1.011 19.897 927 1HE LYS 26 HE2 LYS 26 8.222 -0.627 21.800 928 2HE LYS 26 HE1 LYS 26 9.005 -1.705 20.646 929 1HZ LYS 26 HZ2 LYS 26 9.515 1.054 20.094 930 2HZ LYS 26 HZ1 LYS 26 10.049 0.599 21.642 931 3HZ LYS 26 HZ3 LYS 26 10.608 -0.234 20.275 932 H LEU 27 HN LEU 27 8.220 1.678 15.003 933 HA LEU 27 HA LEU 27 11.186 1.234 15.177 934 1HB LEU 27 HB2 LEU 27 9.699 2.706 12.985 935 2HB LEU 27 HB1 LEU 27 11.437 2.422 13.062 936 HG LEU 27 HG LEU 27 9.395 0.180 13.013 937 1HD1 LEU 27 HD13 LEU 27 10.980 1.394 10.728 938 2HD1 LEU 27 HD12 LEU 27 10.001 -0.068 10.621 939 3HD1 LEU 27 HD11 LEU 27 9.229 1.488 10.931 940 1HD2 LEU 27 HD22 LEU 27 12.405 0.342 12.685 941 2HD2 LEU 27 HD21 LEU 27 11.499 -0.594 13.872 942 3HD2 LEU 27 HD23 LEU 27 11.476 -1.065 12.176 943 H LYS 28 HN LYS 28 12.388 2.960 15.931 944 HA LYS 28 HA LYS 28 10.828 5.245 17.032 945 1HB LYS 28 HB2 LYS 28 13.232 5.691 18.092 946 2HB LYS 28 HB1 LYS 28 12.155 4.482 18.774 947 1HG LYS 28 HG2 LYS 28 13.973 3.555 16.579 948 2HG LYS 28 HG1 LYS 28 14.743 3.942 18.111 949 1HD LYS 28 HD2 LYS 28 12.409 2.024 17.770 950 2HD LYS 28 HD1 LYS 28 14.094 1.543 17.961 951 1HE LYS 28 HE2 LYS 28 12.163 2.464 20.006 952 2HE LYS 28 HE1 LYS 28 13.600 1.468 20.197 953 1HZ LYS 28 HZ1 LYS 28 13.585 4.423 19.867 954 2HZ LYS 28 HZ3 LYS 28 13.798 3.599 21.332 955 3HZ LYS 28 HZ2 LYS 28 14.961 3.455 20.101 956 H LYS 29 HN LYS 29 12.315 7.358 17.056 957 HA LYS 29 HA LYS 29 12.374 8.326 14.399 958 1HB LYS 29 HB2 LYS 29 12.201 9.715 16.487 959 2HB LYS 29 HB1 LYS 29 13.923 9.453 16.748 960 1HG LYS 29 HG2 LYS 29 14.340 10.411 14.456 961 2HG LYS 29 HG1 LYS 29 12.632 10.842 14.385 962 1HD LYS 29 HD2 LYS 29 14.629 11.769 16.471 963 2HD LYS 29 HD1 LYS 29 13.957 12.753 15.172 964 1HE LYS 29 HE2 LYS 29 12.597 11.702 17.643 965 2HE LYS 29 HE1 LYS 29 12.587 13.335 16.976 966 1HZ LYS 29 HZ2 LYS 29 11.445 12.124 14.971 967 2HZ LYS 29 HZ1 LYS 29 11.013 10.991 16.160 968 3HZ LYS 29 HZ3 LYS 29 10.536 12.611 16.319 969 H SER 30 HN SER 30 15.092 7.163 16.431 970 HA SER 30 HA SER 30 17.164 7.857 14.604 971 1HB SER 30 HB2 SER 30 16.991 5.593 16.613 972 2HB SER 30 HB1 SER 30 18.464 6.032 15.751 973 HG SER 30 HG SER 30 17.453 7.123 17.945 974 H GLU 31 HN GLU 31 15.193 4.937 14.876 975 HA GLU 31 HA GLU 31 16.505 3.501 12.751 976 1HB GLU 31 HB2 GLU 31 13.824 3.178 14.119 977 2HB GLU 31 HB1 GLU 31 14.417 2.062 12.886 978 1HG GLU 31 HG2 GLU 31 16.391 1.566 14.215 979 2HG GLU 31 HG1 GLU 31 15.925 2.770 15.414 980 H LEU 32 HN LEU 32 13.606 5.551 12.877 981 HA LEU 32 HA LEU 32 12.718 5.013 10.228 982 1HB LEU 32 HB2 LEU 32 11.295 6.161 11.853 983 2HB LEU 32 HB1 LEU 32 12.387 7.530 11.891 984 HG LEU 32 HG LEU 32 10.275 7.792 10.468 985 1HD1 LEU 32 HD11 LEU 32 12.755 8.909 10.145 986 2HD1 LEU 32 HD13 LEU 32 12.509 8.206 8.552 987 3HD1 LEU 32 HD12 LEU 32 11.345 9.357 9.196 988 1HD2 LEU 32 HD22 LEU 32 10.575 5.408 9.497 989 2HD2 LEU 32 HD21 LEU 32 10.060 6.686 8.403 990 3HD2 LEU 32 HD23 LEU 32 11.741 6.155 8.399 991 H LYS 33 HN LYS 33 15.046 7.425 11.433 992 HA LYS 33 HA LYS 33 15.466 8.746 8.932 993 1HB LYS 33 HB2 LYS 33 16.446 9.549 11.097 994 2HB LYS 33 HB1 LYS 33 17.533 8.159 11.089 995 1HG LYS 33 HG2 LYS 33 18.500 8.907 8.956 996 2HG LYS 33 HG1 LYS 33 17.403 10.285 8.933 997 1HD LYS 33 HD2 LYS 33 18.412 11.194 10.943 998 2HD LYS 33 HD1 LYS 33 19.414 9.755 11.143 999 1HE LYS 33 HE2 LYS 33 20.375 10.278 8.834 1000 2HE LYS 33 HE1 LYS 33 19.582 11.848 8.968 1001 1HZ LYS 33 HZ1 LYS 33 21.237 10.923 11.208 1002 2HZ LYS 33 HZ3 LYS 33 22.022 11.486 9.816 1003 3HZ LYS 33 HZ2 LYS 33 20.953 12.505 10.654 1004 H GLU 34 HN GLU 34 16.994 5.877 10.398 1005 HA GLU 34 HA GLU 34 18.813 5.371 8.251 1006 1HB GLU 34 HB2 GLU 34 17.570 3.481 10.272 1007 2HB GLU 34 HB1 GLU 34 18.916 3.067 9.209 1008 1HG GLU 34 HG2 GLU 34 18.952 5.401 11.136 1009 2HG GLU 34 HG1 GLU 34 19.638 3.815 11.495 1010 H LEU 35 HN LEU 35 15.494 4.273 8.839 1011 HA LEU 35 HA LEU 35 15.301 2.341 6.806 1012 1HB LEU 35 HB2 LEU 35 13.572 3.172 8.639 1013 2HB LEU 35 HB1 LEU 35 12.993 4.203 7.340 1014 HG LEU 35 HG LEU 35 11.679 2.181 7.350 1015 1HD1 LEU 35 HD12 LEU 35 12.539 3.174 5.139 1016 2HD1 LEU 35 HD11 LEU 35 13.611 1.772 5.075 1017 3HD1 LEU 35 HD13 LEU 35 11.865 1.546 5.097 1018 1HD2 LEU 35 HD23 LEU 35 13.702 0.853 8.445 1019 2HD2 LEU 35 HD22 LEU 35 12.493 0.018 7.475 1020 3HD2 LEU 35 HD21 LEU 35 14.049 0.428 6.765 1021 H ILE 36 HN ILE 36 14.581 5.858 6.534 1022 HA ILE 36 HA ILE 36 13.817 5.803 3.791 1023 HB ILE 36 HB ILE 36 15.174 8.026 5.367 1024 1HG1 ILE 36 HG12 ILE 36 12.273 7.704 4.535 1025 2HG1 ILE 36 HG11 ILE 36 12.883 7.194 6.109 1026 1HG2 ILE 36 HG21 ILE 36 13.913 7.961 2.616 1027 2HG2 ILE 36 HG23 ILE 36 14.110 9.460 3.521 1028 3HG2 ILE 36 HG22 ILE 36 15.528 8.523 3.047 1029 1HD1 ILE 36 HD11 ILE 36 13.718 9.551 6.467 1030 2HD1 ILE 36 HD13 ILE 36 12.894 10.013 4.977 1031 3HD1 ILE 36 HD12 ILE 36 11.964 9.430 6.357 1032 H ASN 37 HN ASN 37 17.049 6.416 5.216 1033 HA ASN 37 HA ASN 37 18.294 6.530 2.594 1034 1HB ASN 37 HB2 ASN 37 19.410 6.291 5.394 1035 2HB ASN 37 HB1 ASN 37 20.441 6.299 3.966 1036 1HD2 ASN 37 HD22 ASN 37 20.193 9.821 5.109 1037 2HD2 ASN 37 HD21 ASN 37 20.835 8.373 5.722 1038 H ASN 38 HN ASN 38 17.545 3.986 4.862 1039 HA ASN 38 HA ASN 38 19.455 2.049 4.027 1040 1HB ASN 38 HB2 ASN 38 18.071 1.748 6.024 1041 2HB ASN 38 HB1 ASN 38 16.630 1.599 5.018 1042 1HD2 ASN 38 HD22 ASN 38 17.161 -1.884 4.815 1043 2HD2 ASN 38 HD21 ASN 38 16.065 -0.605 5.033 1044 H GLU 39 HN GLU 39 16.098 2.514 2.834 1045 HA GLU 39 HA GLU 39 16.831 0.827 0.449 1046 1HB GLU 39 HB2 GLU 39 14.102 1.319 1.655 1047 2HB GLU 39 HB1 GLU 39 14.482 0.221 0.331 1048 1HG GLU 39 HG2 GLU 39 15.902 -1.112 1.839 1049 2HG GLU 39 HG1 GLU 39 15.543 0.006 3.156 1050 H LEU 40 HN LEU 40 15.337 3.868 1.489 1051 HA LEU 40 HA LEU 40 14.704 4.518 -1.362 1052 1HB LEU 40 HB2 LEU 40 13.948 5.997 1.182 1053 2HB LEU 40 HB1 LEU 40 13.358 6.350 -0.443 1054 HG LEU 40 HG LEU 40 12.913 3.765 1.085 1055 1HD1 LEU 40 HD11 LEU 40 11.149 6.140 0.454 1056 2HD1 LEU 40 HD13 LEU 40 10.494 4.572 0.928 1057 3HD1 LEU 40 HD12 LEU 40 11.536 5.463 2.036 1058 1HD2 LEU 40 HD21 LEU 40 12.321 4.638 -1.739 1059 2HD2 LEU 40 HD23 LEU 40 12.890 3.078 -1.150 1060 3HD2 LEU 40 HD22 LEU 40 11.202 3.536 -0.936 1061 H SER 41 HN SER 41 17.420 4.539 -1.020 1062 HA SER 41 HA SER 41 18.237 7.322 -0.362 1063 1HB SER 41 HB2 SER 41 20.553 6.354 -0.843 1064 2HB SER 41 HB1 SER 41 19.701 5.669 0.539 1065 HG SER 41 HG SER 41 20.703 4.260 -1.236 1066 H HIS 42 HN HIS 42 18.717 5.031 -3.095 1067 HA HIS 42 HA HIS 42 19.754 6.994 -4.874 1068 1HB HIS 42 HB2 HIS 42 19.904 4.567 -5.318 1069 2HB HIS 42 HB1 HIS 42 18.159 4.502 -5.557 1070 HD1 HIS 42 HD1 HIS 42 21.064 6.552 -6.930 1071 HD2 HIS 42 HD2 HIS 42 17.529 4.770 -8.238 1072 HE1 HIS 42 HE1 HIS 42 20.925 6.977 -9.424 1073 HE2 HIS 42 HE2 HIS 42 18.817 5.823 -10.242 1074 H PHE 43 HN PHE 43 16.401 5.819 -4.455 1075 HA PHE 43 HA PHE 43 15.227 7.482 -6.453 1076 1HB PHE 43 HB2 PHE 43 14.153 6.126 -3.975 1077 2HB PHE 43 HB1 PHE 43 13.115 7.173 -4.940 1078 HD1 PHE 43 HD2 PHE 43 15.453 4.257 -5.265 1079 HD2 PHE 43 HD1 PHE 43 12.034 6.330 -6.847 1080 HE1 PHE 43 HE2 PHE 43 15.087 2.422 -6.901 1081 HE2 PHE 43 HE1 PHE 43 11.689 4.506 -8.487 1082 HZ PHE 43 HZ PHE 43 13.213 2.557 -8.511 1083 H LEU 44 HN LEU 44 15.826 8.079 -2.994 1084 HA LEU 44 HA LEU 44 14.972 10.937 -3.401 1085 1HB LEU 44 HB2 LEU 44 15.199 9.368 -0.822 1086 2HB LEU 44 HB1 LEU 44 14.589 11.006 -0.997 1087 HG LEU 44 HG LEU 44 13.352 8.578 -2.316 1088 1HD1 LEU 44 HD13 LEU 44 13.217 8.640 0.208 1089 2HD1 LEU 44 HD12 LEU 44 12.358 10.173 0.060 1090 3HD1 LEU 44 HD11 LEU 44 11.654 8.700 -0.606 1091 1HD2 LEU 44 HD21 LEU 44 12.636 11.516 -2.165 1092 2HD2 LEU 44 HD23 LEU 44 12.733 10.485 -3.593 1093 3HD2 LEU 44 HD22 LEU 44 11.401 10.293 -2.460 1094 H GLU 45 HN GLU 45 16.600 12.375 -3.410 1095 HA GLU 45 HA GLU 45 18.978 11.891 -1.692 1096 1HB GLU 45 HB2 GLU 45 19.528 11.013 -3.959 1097 2HB GLU 45 HB1 GLU 45 19.187 12.605 -4.633 1098 1HG GLU 45 HG2 GLU 45 20.952 13.588 -3.207 1099 2HG GLU 45 HG1 GLU 45 21.294 11.994 -2.537 1100 H GLU 46 HN GLU 46 17.782 13.600 -0.507 1101 HA GLU 46 HA GLU 46 18.815 16.225 -1.262 1102 1HB GLU 46 HB2 GLU 46 16.503 17.283 -1.138 1103 2HB GLU 46 HB1 GLU 46 16.838 16.350 -2.598 1104 1HG GLU 46 HG2 GLU 46 15.514 15.105 -0.182 1105 2HG GLU 46 HG1 GLU 46 14.577 15.912 -1.440 1106 H ILE 47 HN ILE 47 18.276 14.014 0.981 1107 HA ILE 47 HA ILE 47 17.408 15.836 3.159 1108 HB ILE 47 HB ILE 47 18.158 12.892 3.242 1109 1HG1 ILE 47 HG12 ILE 47 15.402 14.141 3.317 1110 2HG1 ILE 47 HG11 ILE 47 16.133 13.536 1.830 1111 1HG2 ILE 47 HG23 ILE 47 18.356 14.078 5.413 1112 2HG2 ILE 47 HG22 ILE 47 16.707 14.671 5.229 1113 3HG2 ILE 47 HG21 ILE 47 17.006 12.945 5.423 1114 1HD1 ILE 47 HD12 ILE 47 16.449 11.317 2.944 1115 2HD1 ILE 47 HD11 ILE 47 15.576 11.937 4.345 1116 3HD1 ILE 47 HD13 ILE 47 14.754 11.777 2.789 1117 H LYS 48 HN LYS 48 19.019 17.056 4.030 1118 HA LYS 48 HA LYS 48 21.713 15.791 4.484 1119 1HB LYS 48 HB2 LYS 48 21.634 17.507 2.580 1120 2HB LYS 48 HB1 LYS 48 21.267 18.714 3.808 1121 1HG LYS 48 HG2 LYS 48 23.375 18.133 4.992 1122 2HG LYS 48 HG1 LYS 48 23.738 16.953 3.731 1123 1HD LYS 48 HD2 LYS 48 23.663 18.778 2.044 1124 2HD LYS 48 HD1 LYS 48 23.419 19.939 3.350 1125 1HE LYS 48 HE2 LYS 48 25.792 18.064 3.140 1126 2HE LYS 48 HE1 LYS 48 25.817 19.762 2.663 1127 1HZ LYS 48 HZ1 LYS 48 24.736 19.750 5.184 1128 2HZ LYS 48 HZ3 LYS 48 25.996 18.620 5.275 1129 3HZ LYS 48 HZ2 LYS 48 26.318 20.211 4.773 1130 H GLU 49 HN GLU 49 19.018 17.493 5.671 1131 HA GLU 49 HA GLU 49 20.443 18.130 8.236 1132 1HB GLU 49 HB2 GLU 49 18.184 19.560 6.817 1133 2HB GLU 49 HB1 GLU 49 18.577 19.851 8.513 1134 1HG GLU 49 HG2 GLU 49 20.813 20.564 7.948 1135 2HG GLU 49 HG1 GLU 49 20.603 20.074 6.269 1136 H GLN 50 HN GLN 50 19.514 17.396 10.119 1137 HA GLN 50 HA GLN 50 17.611 15.223 9.923 1138 1HB GLN 50 HB2 GLN 50 17.658 15.204 12.382 1139 2HB GLN 50 HB1 GLN 50 19.290 15.296 11.728 1140 1HG GLN 50 HG2 GLN 50 19.673 17.232 12.867 1141 2HG GLN 50 HG1 GLN 50 18.301 17.999 12.074 1142 1HE2 GLN 50 HE22 GLN 50 16.059 17.416 14.825 1143 2HE2 GLN 50 HE21 GLN 50 16.118 17.681 13.148 1144 H GLU 51 HN GLU 51 17.300 18.636 10.192 1145 HA GLU 51 HA GLU 51 14.770 18.817 11.489 1146 1HB GLU 51 HB2 GLU 51 16.059 20.543 9.355 1147 2HB GLU 51 HB1 GLU 51 14.554 20.975 10.169 1148 1HG GLU 51 HG2 GLU 51 15.710 20.892 12.353 1149 2HG GLU 51 HG1 GLU 51 17.208 20.446 11.538 1150 H VAL 52 HN VAL 52 15.635 18.257 8.076 1151 HA VAL 52 HA VAL 52 13.003 18.396 7.010 1152 HB VAL 52 HB VAL 52 15.372 16.713 6.133 1153 1HG1 VAL 52 HG12 VAL 52 12.721 17.274 4.764 1154 2HG1 VAL 52 HG11 VAL 52 14.138 16.653 3.920 1155 3HG1 VAL 52 HG13 VAL 52 13.380 15.694 5.189 1156 1HG2 VAL 52 HG22 VAL 52 14.246 19.364 5.182 1157 2HG2 VAL 52 HG21 VAL 52 15.769 19.122 6.036 1158 3HG2 VAL 52 HG23 VAL 52 15.568 18.497 4.399 1159 H VAL 53 HN VAL 53 14.783 15.660 8.440 1160 HA VAL 53 HA VAL 53 12.841 13.657 7.899 1161 HB VAL 53 HB VAL 53 14.852 13.980 10.139 1162 1HG1 VAL 53 HG13 VAL 53 12.918 11.727 9.542 1163 2HG1 VAL 53 HG12 VAL 53 14.421 11.448 10.419 1164 3HG1 VAL 53 HG11 VAL 53 13.203 12.536 11.085 1165 1HG2 VAL 53 HG22 VAL 53 15.724 13.638 7.832 1166 2HG2 VAL 53 HG21 VAL 53 16.075 12.257 8.874 1167 3HG2 VAL 53 HG23 VAL 53 14.759 12.167 7.705 1168 H ASP 54 HN ASP 54 13.162 15.851 10.694 1169 HA ASP 54 HA ASP 54 10.989 14.811 12.209 1170 1HB ASP 54 HB2 ASP 54 12.190 17.588 12.033 1171 2HB ASP 54 HB1 ASP 54 10.965 17.140 13.223 1172 H LYS 55 HN LYS 55 11.066 17.344 9.705 1173 HA LYS 55 HA LYS 55 8.302 18.079 9.904 1174 1HB LYS 55 HB2 LYS 55 9.971 19.437 8.663 1175 2HB LYS 55 HB1 LYS 55 10.104 18.153 7.460 1176 1HG LYS 55 HG2 LYS 55 7.744 18.397 6.876 1177 2HG LYS 55 HG1 LYS 55 7.526 19.601 8.143 1178 1HD LYS 55 HD2 LYS 55 7.796 20.917 6.201 1179 2HD LYS 55 HD1 LYS 55 9.408 20.921 6.913 1180 1HE LYS 55 HE2 LYS 55 10.140 19.173 5.381 1181 2HE LYS 55 HE1 LYS 55 8.504 18.999 4.750 1182 1HZ LYS 55 HZ2 LYS 55 8.713 21.474 4.212 1183 2HZ LYS 55 HZ1 LYS 55 10.385 21.245 4.403 1184 3HZ LYS 55 HZ3 LYS 55 9.540 20.372 3.218 1185 H VAL 56 HN VAL 56 9.963 15.576 8.006 1186 HA VAL 56 HA VAL 56 7.684 14.712 6.512 1187 HB VAL 56 HB VAL 56 10.216 13.293 7.393 1188 1HG1 VAL 56 HG12 VAL 56 7.908 12.321 5.699 1189 2HG1 VAL 56 HG11 VAL 56 9.541 11.698 5.455 1190 3HG1 VAL 56 HG13 VAL 56 8.740 11.484 7.009 1191 1HG2 VAL 56 HG23 VAL 56 10.304 15.231 5.736 1192 2HG2 VAL 56 HG22 VAL 56 10.959 13.702 5.146 1193 3HG2 VAL 56 HG21 VAL 56 9.352 14.224 4.642 1194 H MET 57 HN MET 57 8.947 13.774 9.689 1195 HA MET 57 HA MET 57 7.173 11.609 10.182 1196 1HB MET 57 HB2 MET 57 8.512 13.541 12.095 1197 2HB MET 57 HB1 MET 57 7.663 12.082 12.596 1198 1HG MET 57 HG2 MET 57 9.898 11.990 10.561 1199 2HG MET 57 HG1 MET 57 10.223 11.876 12.292 1200 1HE MET 57 HE1 MET 57 8.933 10.599 13.799 1201 2HE MET 57 HE3 MET 57 8.141 9.043 13.519 1202 3HE MET 57 HE2 MET 57 9.896 9.145 13.574 1203 H GLU 58 HN GLU 58 6.803 15.086 10.800 1204 HA GLU 58 HA GLU 58 4.371 14.915 12.271 1205 1HB GLU 58 HB2 GLU 58 5.527 17.096 10.533 1206 2HB GLU 58 HB1 GLU 58 4.013 17.291 11.416 1207 1HG GLU 58 HG2 GLU 58 5.106 16.922 13.526 1208 2HG GLU 58 HG1 GLU 58 6.618 16.472 12.732 1209 H THR 59 HN THR 59 4.933 15.095 8.772 1210 HA THR 59 HA THR 59 2.131 15.350 8.134 1211 HB THR 59 HB THR 59 4.411 14.371 6.395 1212 HG1 THR 59 HG1 THR 59 4.814 16.418 6.068 1213 1HG2 THR 59 HG22 THR 59 1.550 15.166 5.843 1214 2HG2 THR 59 HG21 THR 59 2.792 15.331 4.603 1215 3HG2 THR 59 HG23 THR 59 2.428 13.744 5.277 1216 H LEU 60 HN LEU 60 4.315 12.494 8.122 1217 HA LEU 60 HA LEU 60 2.094 10.782 7.313 1218 1HB LEU 60 HB2 LEU 60 3.649 8.985 7.309 1219 2HB LEU 60 HB1 LEU 60 4.500 10.394 6.696 1220 HG LEU 60 HG LEU 60 5.100 10.629 9.364 1221 1HD1 LEU 60 HD13 LEU 60 3.847 8.394 9.724 1222 2HD1 LEU 60 HD12 LEU 60 5.194 7.639 8.883 1223 3HD1 LEU 60 HD11 LEU 60 5.475 8.506 10.390 1224 1HD2 LEU 60 HD21 LEU 60 6.674 10.504 7.369 1225 2HD2 LEU 60 HD23 LEU 60 7.280 9.738 8.835 1226 3HD2 LEU 60 HD22 LEU 60 6.621 8.750 7.536 1227 H ASP 61 HN ASP 61 3.763 11.451 10.377 1228 HA ASP 61 HA ASP 61 2.180 9.435 11.789 1229 1HB ASP 61 HB2 ASP 61 4.509 10.133 12.455 1230 2HB ASP 61 HB1 ASP 61 3.837 11.685 12.952 1231 H GLU 62 HN GLU 62 -0.020 9.976 11.640 1232 HA GLU 62 HA GLU 62 -1.042 12.635 12.004 1233 1HB GLU 62 HB2 GLU 62 -2.381 9.940 12.386 1234 2HB GLU 62 HB1 GLU 62 -3.227 11.485 12.376 1235 1HG GLU 62 HG2 GLU 62 -3.426 10.677 10.149 1236 2HG GLU 62 HG1 GLU 62 -2.144 11.885 10.079 1237 H ASP 63 HN ASP 63 -0.508 9.925 14.264 1238 HA ASP 63 HA ASP 63 -1.715 11.198 16.540 1239 1HB ASP 63 HB2 ASP 63 0.438 9.071 16.341 1240 2HB ASP 63 HB1 ASP 63 -0.245 9.608 17.873 1241 H GLY 64 HN GLY 64 1.645 11.188 15.343 1242 1HA GLY 64 HA2 GLY 64 3.372 12.738 15.808 1243 2HA GLY 64 HA1 GLY 64 2.171 13.756 16.605 1244 H ASP 65 HN ASP 65 2.680 10.396 17.481 1245 HA ASP 65 HA ASP 65 3.256 11.213 20.249 1246 1HB ASP 65 HB2 ASP 65 3.075 8.796 20.726 1247 2HB ASP 65 HB1 ASP 65 1.690 9.369 19.796 1248 H GLY 66 HN GLY 66 5.165 10.707 17.541 1249 1HA GLY 66 HA2 GLY 66 7.548 10.834 17.519 1250 2HA GLY 66 HA1 GLY 66 7.579 10.392 19.222 1251 H GLU 67 HN GLU 67 5.508 8.226 17.923 1252 HA GLU 67 HA GLU 67 7.686 6.234 17.345 1253 1HB GLU 67 HB2 GLU 67 4.988 5.907 18.689 1254 2HB GLU 67 HB1 GLU 67 5.961 4.542 18.145 1255 1HG GLU 67 HG2 GLU 67 6.951 6.665 20.072 1256 2HG GLU 67 HG1 GLU 67 6.291 5.105 20.567 1257 H CYS 68 HN CYS 68 7.462 4.950 15.539 1258 HA CYS 68 HA CYS 68 5.369 5.803 13.606 1259 1HB CYS 68 HB2 CYS 68 7.966 4.274 13.347 1260 2HB CYS 68 HB1 CYS 68 6.805 4.378 12.025 1261 HG CYS 68 HG CYS 68 7.902 7.015 13.285 1262 H ASP 69 HN ASP 69 3.519 4.591 13.600 1263 HA ASP 69 HA ASP 69 3.583 1.792 14.552 1264 1HB ASP 69 HB2 ASP 69 1.341 3.624 13.677 1265 2HB ASP 69 HB1 ASP 69 1.087 1.946 14.151 1266 H PHE 70 HN PHE 70 2.678 0.057 13.212 1267 HA PHE 70 HA PHE 70 3.772 -0.015 10.595 1268 1HB PHE 70 HB2 PHE 70 3.306 -2.086 11.769 1269 2HB PHE 70 HB1 PHE 70 1.587 -1.696 11.873 1270 HD1 PHE 70 HD1 PHE 70 4.260 -1.862 9.239 1271 HD2 PHE 70 HD2 PHE 70 0.206 -2.785 10.330 1272 HE1 PHE 70 HE1 PHE 70 3.905 -2.937 7.034 1273 HE2 PHE 70 HE2 PHE 70 -0.147 -3.846 8.119 1274 HZ PHE 70 HZ PHE 70 1.702 -3.921 6.471 1275 H GLN 71 HN GLN 71 0.399 0.579 11.654 1276 HA GLN 71 HA GLN 71 -0.690 0.792 9.024 1277 1HB GLN 71 HB2 GLN 71 -2.466 2.206 10.113 1278 2HB GLN 71 HB1 GLN 71 -2.211 0.645 10.886 1279 1HG GLN 71 HG2 GLN 71 -0.618 1.861 12.481 1280 2HG GLN 71 HG1 GLN 71 -1.248 3.358 11.797 1281 1HE2 GLN 71 HE22 GLN 71 -3.648 3.117 14.413 1282 2HE2 GLN 71 HE21 GLN 71 -2.216 3.879 13.913 1283 H GLU 72 HN GLU 72 0.779 3.231 11.133 1284 HA GLU 72 HA GLU 72 0.297 5.476 9.458 1285 1HB GLU 72 HB2 GLU 72 2.495 4.903 11.456 1286 2HB GLU 72 HB1 GLU 72 2.326 6.456 10.638 1287 1HG GLU 72 HG2 GLU 72 0.038 6.679 11.522 1288 2HG GLU 72 HG1 GLU 72 0.196 5.124 12.335 1289 H PHE 73 HN PHE 73 2.906 3.080 9.459 1290 HA PHE 73 HA PHE 73 4.591 4.322 7.536 1291 1HB PHE 73 HB2 PHE 73 5.231 2.345 8.871 1292 2HB PHE 73 HB1 PHE 73 4.053 1.379 7.980 1293 HD1 PHE 73 HD1 PHE 73 4.379 0.857 5.610 1294 HD2 PHE 73 HD2 PHE 73 7.300 3.083 7.838 1295 HE1 PHE 73 HE1 PHE 73 6.043 0.447 3.826 1296 HE2 PHE 73 HE2 PHE 73 8.976 2.671 6.060 1297 HZ PHE 73 HZ PHE 73 8.336 1.359 4.035 1298 H MET 74 HN MET 74 1.745 2.187 7.149 1299 HA MET 74 HA MET 74 1.945 1.872 4.325 1300 1HB MET 74 HB2 MET 74 -0.541 2.008 6.062 1301 2HB MET 74 HB1 MET 74 -0.516 1.472 4.384 1302 1HG MET 74 HG2 MET 74 1.067 0.172 6.632 1303 2HG MET 74 HG1 MET 74 -0.451 -0.446 5.988 1304 1HE MET 74 HE2 MET 74 -0.931 -0.794 3.737 1305 2HE MET 74 HE1 MET 74 0.086 0.056 2.578 1306 3HE MET 74 HE3 MET 74 0.100 -1.710 2.642 1307 H ALA 75 HN ALA 75 0.445 4.450 6.283 1308 HA ALA 75 HA ALA 75 -0.780 5.902 4.163 1309 1HB ALA 75 HB2 ALA 75 0.444 6.844 6.771 1310 2HB ALA 75 HB1 ALA 75 -0.503 7.877 5.702 1311 3HB ALA 75 HB3 ALA 75 -1.255 6.477 6.469 1312 H PHE 76 HN PHE 76 2.514 6.038 5.499 1313 HA PHE 76 HA PHE 76 3.459 8.246 3.978 1314 1HB PHE 76 HB2 PHE 76 4.755 7.348 5.836 1315 2HB PHE 76 HB1 PHE 76 4.930 5.799 5.009 1316 HD1 PHE 76 HD1 PHE 76 6.382 5.593 3.014 1317 HD2 PHE 76 HD2 PHE 76 6.047 9.289 5.165 1318 HE1 PHE 76 HE1 PHE 76 8.407 6.440 1.868 1319 HE2 PHE 76 HE2 PHE 76 8.074 10.137 4.017 1320 HZ PHE 76 HZ PHE 76 9.253 8.711 2.368 1321 H VAL 77 HN VAL 77 3.393 4.757 3.237 1322 HA VAL 77 HA VAL 77 4.759 4.905 0.736 1323 HB VAL 77 HB VAL 77 2.672 2.965 1.774 1324 1HG1 VAL 77 HG11 VAL 77 4.341 2.876 -0.759 1325 2HG1 VAL 77 HG13 VAL 77 3.551 1.461 -0.059 1326 3HG1 VAL 77 HG12 VAL 77 2.582 2.814 -0.636 1327 1HG2 VAL 77 HG23 VAL 77 5.698 2.929 1.569 1328 2HG2 VAL 77 HG22 VAL 77 4.719 2.846 3.035 1329 3HG2 VAL 77 HG21 VAL 77 4.739 1.488 1.911 1330 H SER 78 HN SER 78 1.309 5.310 1.553 1331 HA SER 78 HA SER 78 0.415 5.514 -1.177 1332 1HB SER 78 HB2 SER 78 -1.649 6.369 -0.267 1333 2HB SER 78 HB1 SER 78 -1.069 5.120 0.833 1334 HG SER 78 HG SER 78 -0.584 6.614 2.291 1335 H MET 79 HN MET 79 1.506 7.954 1.186 1336 HA MET 79 HA MET 79 0.851 10.238 -0.378 1337 1HB MET 79 HB2 MET 79 1.533 10.326 2.019 1338 2HB MET 79 HB1 MET 79 3.181 9.925 1.537 1339 1HG MET 79 HG2 MET 79 3.276 11.963 0.152 1340 2HG MET 79 HG1 MET 79 1.618 12.347 0.610 1341 1HE MET 79 HE3 MET 79 5.036 11.435 1.699 1342 2HE MET 79 HE2 MET 79 5.388 12.349 3.163 1343 3HE MET 79 HE1 MET 79 4.432 10.875 3.266 1344 H VAL 80 HN VAL 80 3.803 8.250 -0.330 1345 HA VAL 80 HA VAL 80 5.270 9.899 -2.164 1346 HB VAL 80 HB VAL 80 5.480 6.962 -1.454 1347 1HG1 VAL 80 HG11 VAL 80 7.193 8.690 -3.248 1348 2HG1 VAL 80 HG13 VAL 80 7.818 7.231 -2.476 1349 3HG1 VAL 80 HG12 VAL 80 6.471 7.123 -3.611 1350 1HG2 VAL 80 HG21 VAL 80 6.983 9.464 -0.622 1351 2HG2 VAL 80 HG23 VAL 80 5.990 8.421 0.398 1352 3HG2 VAL 80 HG22 VAL 80 7.523 7.829 -0.240 1353 H THR 81 HN THR 81 3.173 7.061 -2.666 1354 HA THR 81 HA THR 81 3.551 6.870 -5.510 1355 HB THR 81 HB THR 81 1.099 6.082 -3.905 1356 HG1 THR 81 HG1 THR 81 3.524 4.702 -4.417 1357 1HG2 THR 81 HG22 THR 81 1.090 6.039 -6.503 1358 2HG2 THR 81 HG21 THR 81 2.230 4.703 -6.340 1359 3HG2 THR 81 HG23 THR 81 0.615 4.571 -5.652 1360 H THR 82 HN THR 82 1.173 8.640 -3.525 1361 HA THR 82 HA THR 82 -0.428 9.545 -5.716 1362 HB THR 82 HB THR 82 -1.063 11.395 -4.064 1363 HG1 THR 82 HG1 THR 82 0.971 11.332 -2.984 1364 1HG2 THR 82 HG23 THR 82 -1.157 8.503 -3.142 1365 2HG2 THR 82 HG22 THR 82 -2.166 9.800 -2.502 1366 3HG2 THR 82 HG21 THR 82 -2.337 9.300 -4.183 1367 H ALA 83 HN ALA 83 2.450 10.882 -4.143 1368 HA ALA 83 HA ALA 83 2.509 13.347 -5.631 1369 1HB ALA 83 HB2 ALA 83 3.786 12.834 -3.489 1370 2HB ALA 83 HB1 ALA 83 4.883 11.861 -4.471 1371 3HB ALA 83 HB3 ALA 83 4.742 13.593 -4.761 1372 H CYS 84 HN CYS 84 3.239 10.098 -6.424 1373 HA CYS 84 HA CYS 84 5.253 10.418 -8.401 1374 1HB CYS 84 HB2 CYS 84 4.169 8.239 -7.425 1375 2HB CYS 84 HB1 CYS 84 2.980 8.451 -8.710 1376 HG CYS 84 HG CYS 84 6.035 8.066 -9.242 1377 H HIS 85 HN HIS 85 4.339 9.642 -10.849 1378 HA HIS 85 HA HIS 85 2.206 11.592 -11.622 1379 1HB HIS 85 HB2 HIS 85 3.610 12.094 -13.667 1380 2HB HIS 85 HB1 HIS 85 4.214 12.754 -12.148 1381 HD1 HIS 85 HD1 HIS 85 5.922 10.841 -10.868 1382 HD2 HIS 85 HD2 HIS 85 5.640 10.799 -15.033 1383 HE1 HIS 85 HE1 HIS 85 7.966 9.613 -11.710 1384 HE2 HIS 85 HE2 HIS 85 7.841 9.634 -14.246 1385 H GLU 86 HN GLU 86 1.623 11.200 -14.028 1386 HA GLU 86 HA GLU 86 0.408 8.711 -14.283 1387 1HB GLU 86 HB2 GLU 86 1.337 10.644 -16.424 1388 2HB GLU 86 HB1 GLU 86 0.284 9.269 -16.750 1389 1HG GLU 86 HG2 GLU 86 -1.361 10.155 -15.111 1390 2HG GLU 86 HG1 GLU 86 -0.317 11.553 -14.839 1391 H PHE 87 HN PHE 87 3.195 9.583 -16.388 1392 HA PHE 87 HA PHE 87 3.738 6.709 -16.778 1393 1HB PHE 87 HB2 PHE 87 5.169 9.151 -17.876 1394 2HB PHE 87 HB1 PHE 87 5.439 7.483 -18.382 1395 HD1 PHE 87 HD2 PHE 87 3.264 6.150 -19.063 1396 HD2 PHE 87 HD1 PHE 87 3.616 10.429 -19.083 1397 HE1 PHE 87 HE2 PHE 87 1.358 6.300 -20.649 1398 HE2 PHE 87 HE1 PHE 87 1.719 10.580 -20.657 1399 HZ PHE 87 HZ PHE 87 0.584 8.518 -21.441 1400 H PHE 88 HN PHE 88 5.019 5.623 -15.335 1401 HA PHE 88 HA PHE 88 7.053 7.163 -13.797 1402 1HB PHE 88 HB2 PHE 88 5.360 5.558 -12.689 1403 2HB PHE 88 HB1 PHE 88 6.345 4.258 -13.350 1404 HD1 PHE 88 HD2 PHE 88 6.868 7.530 -11.563 1405 HD2 PHE 88 HD1 PHE 88 7.983 3.390 -11.918 1406 HE1 PHE 88 HE2 PHE 88 8.448 7.799 -9.673 1407 HE2 PHE 88 HE1 PHE 88 9.551 3.659 -10.022 1408 HZ PHE 88 HZ PHE 88 9.781 5.863 -8.895 1409 H GLU 89 HN GLU 89 7.199 3.778 -14.828 1410 HA GLU 89 HA GLU 89 9.864 4.342 -16.094 1411 1HB GLU 89 HB2 GLU 89 8.874 1.923 -14.568 1412 2HB GLU 89 HB1 GLU 89 10.336 1.908 -15.554 1413 1HG GLU 89 HG2 GLU 89 9.852 3.900 -13.331 1414 2HG GLU 89 HG1 GLU 89 10.722 2.382 -13.104 1415 H HIS 90 HN HIS 90 6.742 2.737 -16.379 1416 HA HIS 90 HA HIS 90 7.431 1.168 -18.697 1417 1HB HIS 90 HB2 HIS 90 4.785 1.337 -18.997 1418 2HB HIS 90 HB1 HIS 90 5.488 0.365 -17.706 1419 HD1 HIS 90 HD1 HIS 90 3.395 0.756 -16.201 1420 HD2 HIS 90 HD2 HIS 90 5.455 4.247 -17.195 1421 HE1 HIS 90 HE1 HIS 90 2.471 2.592 -14.704 1422 HE2 HIS 90 HE2 HIS 90 3.762 4.704 -15.270 1423 H GLU 91 HN GLU 91 6.910 1.615 -20.908 1424 HA GLU 91 HA GLU 91 7.161 4.462 -21.606 1425 1HB GLU 91 HB2 GLU 91 7.061 1.957 -23.318 1426 2HB GLU 91 HB1 GLU 91 7.372 3.579 -23.930 1427 1HG GLU 91 HG2 GLU 91 9.065 2.199 -21.826 1428 2HG GLU 91 HG1 GLU 91 9.453 2.253 -23.547 No H/Q in entry = 1428 Start of MODEL 18 1 1H MET 0 HT3 MET 0 17.359 -2.677 -7.878 2 2H MET 0 HT2 MET 0 19.057 -2.637 -7.953 3 3H MET 0 HT1 MET 0 18.179 -3.635 -9.013 4 HA MET 0 HA MET 0 17.767 -5.214 -7.461 5 1HB MET 0 HB2 MET 0 20.311 -4.641 -7.733 6 2HB MET 0 HB1 MET 0 20.183 -4.024 -6.089 7 1HG MET 0 HG2 MET 0 19.294 -6.817 -6.873 8 2HG MET 0 HG1 MET 0 20.913 -6.453 -6.289 9 1HE MET 0 HE1 MET 0 21.492 -5.481 -3.997 10 2HE MET 0 HE3 MET 0 20.725 -6.330 -2.647 11 3HE MET 0 HE2 MET 0 21.366 -7.239 -4.014 12 H SER 1 HN SER 1 15.800 -3.988 -6.551 13 HA SER 1 HA SER 1 16.180 -3.716 -3.623 14 1HB SER 1 HB2 SER 1 15.147 -1.521 -5.424 15 2HB SER 1 HB1 SER 1 14.707 -1.602 -3.719 16 HG SER 1 HG SER 1 16.773 -0.449 -4.579 17 H GLU 2 HN GLU 2 14.729 -5.175 -2.879 18 HA GLU 2 HA GLU 2 12.489 -6.155 -4.341 19 1HB GLU 2 HB2 GLU 2 13.541 -7.344 -2.428 20 2HB GLU 2 HB1 GLU 2 12.902 -6.121 -1.333 21 1HG GLU 2 HG2 GLU 2 11.407 -8.025 -1.283 22 2HG GLU 2 HG1 GLU 2 10.583 -6.723 -2.134 23 H LEU 3 HN LEU 3 12.710 -3.623 -1.838 24 HA LEU 3 HA LEU 3 9.918 -3.123 -1.629 25 1HB LEU 3 HB2 LEU 3 12.019 -2.190 -0.276 26 2HB LEU 3 HB1 LEU 3 11.888 -0.856 -1.413 27 HG LEU 3 HG LEU 3 10.603 -0.255 0.524 28 1HD1 LEU 3 HD12 LEU 3 9.590 0.070 -1.820 29 2HD1 LEU 3 HD11 LEU 3 8.498 -1.248 -1.385 30 3HD1 LEU 3 HD13 LEU 3 8.515 0.236 -0.435 31 1HD2 LEU 3 HD22 LEU 3 10.324 -2.810 1.162 32 2HD2 LEU 3 HD21 LEU 3 9.142 -1.622 1.698 33 3HD2 LEU 3 HD23 LEU 3 8.790 -2.646 0.310 34 H GLU 4 HN GLU 4 12.364 -1.743 -3.819 35 HA GLU 4 HA GLU 4 10.670 0.159 -5.078 36 1HB GLU 4 HB2 GLU 4 13.146 0.086 -5.340 37 2HB GLU 4 HB1 GLU 4 12.976 -1.372 -6.314 38 1HG GLU 4 HG2 GLU 4 13.201 0.604 -7.760 39 2HG GLU 4 HG1 GLU 4 11.605 -0.117 -7.952 40 H LYS 5 HN LYS 5 11.301 -3.252 -5.913 41 HA LYS 5 HA LYS 5 9.818 -3.300 -8.336 42 1HB LYS 5 HB2 LYS 5 11.326 -5.131 -7.451 43 2HB LYS 5 HB1 LYS 5 10.019 -5.583 -6.355 44 1HG LYS 5 HG2 LYS 5 8.515 -5.878 -8.326 45 2HG LYS 5 HG1 LYS 5 9.881 -5.530 -9.386 46 1HD LYS 5 HD2 LYS 5 11.113 -7.447 -8.389 47 2HD LYS 5 HD1 LYS 5 9.697 -7.819 -7.404 48 1HE LYS 5 HE2 LYS 5 9.656 -7.697 -10.433 49 2HE LYS 5 HE1 LYS 5 9.856 -9.186 -9.514 50 1HZ LYS 5 HZ1 LYS 5 7.721 -8.337 -8.320 51 2HZ LYS 5 HZ3 LYS 5 7.501 -7.450 -9.749 52 3HZ LYS 5 HZ2 LYS 5 7.605 -9.145 -9.809 53 H ALA 6 HN ALA 6 8.745 -3.940 -4.993 54 HA ALA 6 HA ALA 6 6.070 -4.668 -5.626 55 1HB ALA 6 HB2 ALA 6 7.241 -3.305 -3.187 56 2HB ALA 6 HB1 ALA 6 5.569 -3.861 -3.276 57 3HB ALA 6 HB3 ALA 6 6.892 -5.023 -3.386 58 H MET 7 HN MET 7 7.482 -1.487 -4.897 59 HA MET 7 HA MET 7 5.083 0.028 -5.046 60 1HB MET 7 HB2 MET 7 7.306 0.847 -4.216 61 2HB MET 7 HB1 MET 7 7.868 0.893 -5.886 62 1HG MET 7 HG2 MET 7 7.153 3.119 -5.376 63 2HG MET 7 HG1 MET 7 5.883 2.424 -6.377 64 1HE MET 7 HE3 MET 7 7.345 2.869 -3.078 65 2HE MET 7 HE2 MET 7 6.199 4.019 -2.403 66 3HE MET 7 HE1 MET 7 6.121 2.326 -1.922 67 H VAL 8 HN VAL 8 7.462 -0.778 -7.582 68 HA VAL 8 HA VAL 8 6.049 0.617 -9.667 69 HB VAL 8 HB VAL 8 8.101 -1.606 -9.776 70 1HG1 VAL 8 HG12 VAL 8 6.847 0.107 -11.928 71 2HG1 VAL 8 HG11 VAL 8 8.420 -0.659 -12.142 72 3HG1 VAL 8 HG13 VAL 8 6.985 -1.650 -11.880 73 1HG2 VAL 8 HG22 VAL 8 8.249 1.416 -9.999 74 2HG2 VAL 8 HG21 VAL 8 8.965 0.405 -8.744 75 3HG2 VAL 8 HG23 VAL 8 9.588 0.337 -10.392 76 H ALA 9 HN ALA 9 6.074 -2.802 -8.635 77 HA ALA 9 HA ALA 9 4.467 -3.802 -10.759 78 1HB ALA 9 HB1 ALA 9 5.715 -5.114 -8.924 79 2HB ALA 9 HB3 ALA 9 4.300 -4.814 -7.915 80 3HB ALA 9 HB2 ALA 9 4.137 -5.732 -9.413 81 H LEU 10 HN LEU 10 3.559 -2.357 -7.643 82 HA LEU 10 HA LEU 10 0.757 -2.800 -7.830 83 1HB LEU 10 HB2 LEU 10 2.257 -1.837 -5.891 84 2HB LEU 10 HB1 LEU 10 1.913 -0.282 -6.632 85 HG LEU 10 HG LEU 10 0.273 -0.610 -4.918 86 1HD1 LEU 10 HD13 LEU 10 -0.512 0.199 -7.206 87 2HD1 LEU 10 HD12 LEU 10 -1.172 -1.422 -7.438 88 3HD1 LEU 10 HD11 LEU 10 -1.758 -0.411 -6.122 89 1HD2 LEU 10 HD23 LEU 10 0.646 -3.210 -4.992 90 2HD2 LEU 10 HD22 LEU 10 -0.918 -2.576 -4.495 91 3HD2 LEU 10 HD21 LEU 10 -0.704 -3.194 -6.127 92 H ILE 11 HN ILE 11 2.679 0.055 -8.823 93 HA ILE 11 HA ILE 11 0.429 1.406 -10.024 94 HB ILE 11 HB ILE 11 3.418 1.728 -10.440 95 1HG1 ILE 11 HG12 ILE 11 1.478 3.465 -8.893 96 2HG1 ILE 11 HG11 ILE 11 2.417 2.175 -8.142 97 1HG2 ILE 11 HG21 ILE 11 1.081 3.428 -11.358 98 2HG2 ILE 11 HG23 ILE 11 2.750 3.992 -11.331 99 3HG2 ILE 11 HG22 ILE 11 2.294 2.650 -12.376 100 1HD1 ILE 11 HD11 ILE 11 3.699 4.380 -9.770 101 2HD1 ILE 11 HD13 ILE 11 3.449 4.510 -8.029 102 3HD1 ILE 11 HD12 ILE 11 4.488 3.242 -8.678 103 H ASP 12 HN ASP 12 2.994 -0.690 -11.310 104 HA ASP 12 HA ASP 12 2.355 -0.403 -14.066 105 1HB ASP 12 HB2 ASP 12 4.418 -1.495 -13.194 106 2HB ASP 12 HB1 ASP 12 3.438 -2.864 -12.666 107 H VAL 13 HN VAL 13 1.239 -2.885 -11.733 108 HA VAL 13 HA VAL 13 -0.463 -4.236 -13.590 109 HB VAL 13 HB VAL 13 -0.556 -4.007 -10.570 110 1HG1 VAL 13 HG12 VAL 13 -2.209 -5.651 -12.493 111 2HG1 VAL 13 HG11 VAL 13 -1.961 -6.149 -10.819 112 3HG1 VAL 13 HG13 VAL 13 -2.770 -4.622 -11.174 113 1HG2 VAL 13 HG22 VAL 13 1.439 -5.102 -11.527 114 2HG2 VAL 13 HG21 VAL 13 0.421 -6.274 -10.692 115 3HG2 VAL 13 HG23 VAL 13 0.403 -6.186 -12.453 116 H PHE 14 HN PHE 14 -1.093 -1.567 -11.327 117 HA PHE 14 HA PHE 14 -3.899 -1.380 -11.767 118 1HB PHE 14 HB2 PHE 14 -2.771 -0.236 -9.915 119 2HB PHE 14 HB1 PHE 14 -1.927 0.807 -11.058 120 HD1 PHE 14 HD1 PHE 14 -5.176 0.011 -9.515 121 HD2 PHE 14 HD2 PHE 14 -3.099 2.566 -12.272 122 HE1 PHE 14 HE1 PHE 14 -7.109 1.565 -9.529 123 HE2 PHE 14 HE2 PHE 14 -5.033 4.120 -12.290 124 HZ PHE 14 HZ PHE 14 -7.038 3.620 -10.918 125 H HIS 15 HN HIS 15 -1.227 0.374 -13.392 126 HA HIS 15 HA HIS 15 -3.013 1.798 -15.156 127 1HB HIS 15 HB2 HIS 15 -0.728 2.595 -14.655 128 2HB HIS 15 HB1 HIS 15 -0.063 1.198 -15.503 129 HD1 HIS 15 HD1 HIS 15 0.223 1.421 -17.993 130 HD2 HIS 15 HD2 HIS 15 -2.356 4.319 -16.457 131 HE1 HIS 15 HE1 HIS 15 -0.346 2.969 -19.918 132 HE2 HIS 15 HE2 HIS 15 -1.921 4.730 -18.996 133 H GLN 16 HN GLN 16 -0.933 -1.072 -15.682 134 HA GLN 16 HA GLN 16 -1.784 -1.423 -18.403 135 1HB GLN 16 HB2 GLN 16 -0.321 -3.098 -16.389 136 2HB GLN 16 HB1 GLN 16 -0.931 -3.889 -17.840 137 1HG GLN 16 HG2 GLN 16 1.383 -3.116 -18.176 138 2HG GLN 16 HG1 GLN 16 0.277 -2.259 -19.245 139 1HE2 GLN 16 HE22 GLN 16 2.019 0.617 -18.026 140 2HE2 GLN 16 HE21 GLN 16 1.907 -0.473 -19.322 141 H TYR 17 HN TYR 17 -2.960 -2.932 -15.359 142 HA TYR 17 HA TYR 17 -4.813 -4.642 -16.759 143 1HB TYR 17 HB2 TYR 17 -4.024 -4.965 -14.357 144 2HB TYR 17 HB1 TYR 17 -5.158 -3.685 -13.911 145 HD1 TYR 17 HD1 TYR 17 -7.588 -4.006 -14.141 146 HD2 TYR 17 HD2 TYR 17 -4.816 -7.120 -15.175 147 HE1 TYR 17 HE1 TYR 17 -9.452 -5.643 -14.218 148 HE2 TYR 17 HE2 TYR 17 -6.677 -8.755 -15.250 149 HH TYR 17 HH TYR 17 -9.905 -7.921 -14.180 150 H SER 18 HN SER 18 -5.182 -1.446 -15.228 151 HA SER 18 HA SER 18 -8.002 -1.251 -15.546 152 1HB SER 18 HB2 SER 18 -7.720 1.119 -15.202 153 2HB SER 18 HB1 SER 18 -6.578 0.275 -14.160 154 HG SER 18 HG SER 18 -6.012 1.354 -16.730 155 H GLY 19 HN GLY 19 -5.373 -0.346 -17.775 156 1HA GLY 19 HA2 GLY 19 -7.259 0.738 -19.734 157 2HA GLY 19 HA1 GLY 19 -5.527 0.504 -19.982 158 H ARG 20 HN ARG 20 -6.286 -2.363 -18.835 159 HA ARG 20 HA ARG 20 -6.145 -3.731 -21.320 160 1HB ARG 20 HB2 ARG 20 -5.675 -4.597 -18.928 161 2HB ARG 20 HB1 ARG 20 -7.409 -4.877 -18.822 162 1HG ARG 20 HG2 ARG 20 -6.671 -6.951 -19.602 163 2HG ARG 20 HG1 ARG 20 -7.059 -6.142 -21.120 164 1HD ARG 20 HD2 ARG 20 -4.699 -5.508 -21.406 165 2HD ARG 20 HD1 ARG 20 -4.299 -6.245 -19.858 166 HE ARG 20 HE ARG 20 -5.458 -8.311 -21.291 167 1HH1 ARG 20 HH21 ARG 20 -2.930 -6.020 -21.749 168 2HH1 ARG 20 HH22 ARG 20 -1.998 -7.046 -22.787 169 1HH2 ARG 20 HH11 ARG 20 -4.257 -9.674 -22.655 170 2HH2 ARG 20 HH12 ARG 20 -2.753 -9.115 -23.304 171 H GLU 21 HN GLU 21 -8.928 -2.863 -19.302 172 HA GLU 21 HA GLU 21 -10.779 -4.055 -21.294 173 1HB GLU 21 HB2 GLU 21 -10.841 -4.154 -18.611 174 2HB GLU 21 HB1 GLU 21 -11.746 -2.659 -18.819 175 1HG GLU 21 HG2 GLU 21 -13.332 -3.809 -20.309 176 2HG GLU 21 HG1 GLU 21 -12.410 -5.305 -20.147 177 H GLY 22 HN GLY 22 -9.234 -1.152 -20.965 178 1HA GLY 22 HA2 GLY 22 -9.640 0.838 -22.204 179 2HA GLY 22 HA1 GLY 22 -11.231 0.206 -22.641 180 H ASP 23 HN ASP 23 -10.470 0.000 -19.314 181 HA ASP 23 HA ASP 23 -12.636 1.762 -18.578 182 1HB ASP 23 HB2 ASP 23 -10.432 0.449 -16.973 183 2HB ASP 23 HB1 ASP 23 -11.717 1.407 -16.246 184 H LYS 24 HN LYS 24 -9.338 2.260 -19.327 185 HA LYS 24 HA LYS 24 -7.964 4.143 -19.274 186 1HB LYS 24 HB2 LYS 24 -10.670 5.484 -19.088 187 2HB LYS 24 HB1 LYS 24 -9.158 6.363 -19.293 188 1HG LYS 24 HG2 LYS 24 -8.706 4.953 -21.335 189 2HG LYS 24 HG1 LYS 24 -10.337 4.304 -21.172 190 1HD LYS 24 HD2 LYS 24 -9.633 7.235 -21.511 191 2HD LYS 24 HD1 LYS 24 -10.293 6.187 -22.766 192 1HE LYS 24 HE2 LYS 24 -12.220 5.756 -21.042 193 2HE LYS 24 HE1 LYS 24 -11.636 7.241 -20.287 194 1HZ LYS 24 HZ2 LYS 24 -11.716 7.933 -22.874 195 2HZ LYS 24 HZ1 LYS 24 -13.039 6.871 -22.782 196 3HZ LYS 24 HZ3 LYS 24 -12.970 8.226 -21.765 197 H HIS 25 HN HIS 25 -7.568 3.055 -17.004 198 HA HIS 25 HA HIS 25 -7.127 3.303 -14.735 199 1HB HIS 25 HB2 HIS 25 -6.190 5.494 -14.109 200 2HB HIS 25 HB1 HIS 25 -5.573 4.931 -15.659 201 HD1 HIS 25 HD1 HIS 25 -8.458 7.118 -14.432 202 HD2 HIS 25 HD2 HIS 25 -5.746 6.878 -17.593 203 HE1 HIS 25 HE1 HIS 25 -8.903 9.125 -15.913 204 HE2 HIS 25 HE2 HIS 25 -7.260 8.989 -17.841 205 H LYS 26 HN LYS 26 -9.873 3.141 -15.093 206 HA LYS 26 HA LYS 26 -10.801 4.797 -12.792 207 1HB LYS 26 HB2 LYS 26 -12.227 4.552 -15.454 208 2HB LYS 26 HB1 LYS 26 -13.023 5.100 -13.979 209 1HG LYS 26 HG2 LYS 26 -11.266 6.886 -13.774 210 2HG LYS 26 HG1 LYS 26 -10.657 6.401 -15.350 211 1HD LYS 26 HD2 LYS 26 -13.544 7.185 -14.914 212 2HD LYS 26 HD1 LYS 26 -12.302 8.366 -15.326 213 1HE LYS 26 HE2 LYS 26 -11.746 6.902 -17.339 214 2HE LYS 26 HE1 LYS 26 -13.215 5.997 -16.977 215 1HZ LYS 26 HZ1 LYS 26 -13.811 8.732 -16.908 216 2HZ LYS 26 HZ3 LYS 26 -12.975 8.416 -18.349 217 3HZ LYS 26 HZ2 LYS 26 -14.390 7.552 -17.985 218 H LEU 27 HN LEU 27 -11.830 3.497 -11.319 219 HA LEU 27 HA LEU 27 -12.525 0.716 -12.179 220 1HB LEU 27 HB2 LEU 27 -11.791 1.983 -9.547 221 2HB LEU 27 HB1 LEU 27 -12.676 0.460 -9.567 222 HG LEU 27 HG LEU 27 -10.918 -0.578 -10.926 223 1HD1 LEU 27 HD11 LEU 27 -9.744 2.206 -10.856 224 2HD1 LEU 27 HD13 LEU 27 -8.756 0.785 -11.202 225 3HD1 LEU 27 HD12 LEU 27 -10.096 1.202 -12.263 226 1HD2 LEU 27 HD21 LEU 27 -9.874 0.910 -8.496 227 2HD2 LEU 27 HD23 LEU 27 -10.630 -0.685 -8.506 228 3HD2 LEU 27 HD22 LEU 27 -9.053 -0.452 -9.261 229 H LYS 28 HN LYS 28 -14.606 0.307 -12.572 230 HA LYS 28 HA LYS 28 -16.729 1.886 -11.150 231 1HB LYS 28 HB2 LYS 28 -16.379 1.874 -13.815 232 2HB LYS 28 HB1 LYS 28 -17.306 0.384 -13.693 233 1HG LYS 28 HG2 LYS 28 -19.065 1.883 -13.903 234 2HG LYS 28 HG1 LYS 28 -18.885 1.915 -12.153 235 1HD LYS 28 HD2 LYS 28 -18.817 4.196 -12.535 236 2HD LYS 28 HD1 LYS 28 -17.104 3.853 -12.758 237 1HE LYS 28 HE2 LYS 28 -17.453 3.665 -15.194 238 2HE LYS 28 HE1 LYS 28 -19.175 3.984 -14.976 239 1HZ LYS 28 HZ2 LYS 28 -18.476 6.109 -13.865 240 2HZ LYS 28 HZ1 LYS 28 -16.907 5.814 -14.447 241 3HZ LYS 28 HZ3 LYS 28 -18.187 6.029 -15.539 242 H LYS 29 HN LYS 29 -18.889 0.409 -11.232 243 HA LYS 29 HA LYS 29 -18.434 -1.793 -9.497 244 1HB LYS 29 HB2 LYS 29 -20.590 -0.746 -9.486 245 2HB LYS 29 HB1 LYS 29 -20.800 -1.006 -11.214 246 1HG LYS 29 HG2 LYS 29 -22.145 -2.588 -9.844 247 2HG LYS 29 HG1 LYS 29 -20.988 -3.426 -10.866 248 1HD LYS 29 HD2 LYS 29 -19.491 -3.764 -8.983 249 2HD LYS 29 HD1 LYS 29 -20.499 -2.749 -7.949 250 1HE LYS 29 HE2 LYS 29 -20.941 -5.139 -7.535 251 2HE LYS 29 HE1 LYS 29 -22.364 -4.354 -8.218 252 1HZ LYS 29 HZ1 LYS 29 -20.396 -5.623 -9.998 253 2HZ LYS 29 HZ3 LYS 29 -21.541 -6.585 -9.199 254 3HZ LYS 29 HZ2 LYS 29 -22.055 -5.352 -10.249 255 H SER 30 HN SER 30 -18.945 -1.689 -13.023 256 HA SER 30 HA SER 30 -19.060 -4.514 -13.420 257 1HB SER 30 HB2 SER 30 -18.570 -4.033 -15.746 258 2HB SER 30 HB1 SER 30 -19.633 -2.768 -15.136 259 HG SER 30 HG SER 30 -17.667 -1.556 -14.719 260 H GLU 31 HN GLU 31 -16.297 -2.267 -13.489 261 HA GLU 31 HA GLU 31 -14.340 -4.295 -14.083 262 1HB GLU 31 HB2 GLU 31 -13.961 -1.885 -14.502 263 2HB GLU 31 HB1 GLU 31 -13.977 -1.588 -12.764 264 1HG GLU 31 HG2 GLU 31 -12.020 -3.060 -12.479 265 2HG GLU 31 HG1 GLU 31 -12.016 -3.399 -14.209 266 H LEU 32 HN LEU 32 -15.479 -2.857 -11.033 267 HA LEU 32 HA LEU 32 -13.534 -4.007 -9.326 268 1HB LEU 32 HB2 LEU 32 -15.186 -2.256 -8.671 269 2HB LEU 32 HB1 LEU 32 -16.448 -3.482 -8.679 270 HG LEU 32 HG LEU 32 -14.015 -4.125 -7.044 271 1HD1 LEU 32 HD13 LEU 32 -16.024 -2.011 -6.241 272 2HD1 LEU 32 HD12 LEU 32 -14.892 -2.776 -5.132 273 3HD1 LEU 32 HD11 LEU 32 -14.292 -1.781 -6.459 274 1HD2 LEU 32 HD22 LEU 32 -17.011 -4.357 -6.579 275 2HD2 LEU 32 HD21 LEU 32 -15.937 -5.663 -7.068 276 3HD2 LEU 32 HD23 LEU 32 -15.773 -4.945 -5.470 277 H LYS 33 HN LYS 33 -16.760 -5.296 -10.200 278 HA LYS 33 HA LYS 33 -16.556 -7.675 -8.666 279 1HB LYS 33 HB2 LYS 33 -18.639 -6.841 -9.769 280 2HB LYS 33 HB1 LYS 33 -17.963 -7.306 -11.327 281 1HG LYS 33 HG2 LYS 33 -17.825 -9.649 -10.583 282 2HG LYS 33 HG1 LYS 33 -18.485 -9.192 -9.010 283 1HD LYS 33 HD2 LYS 33 -20.567 -8.471 -10.028 284 2HD LYS 33 HD1 LYS 33 -19.913 -8.734 -11.645 285 1HE LYS 33 HE2 LYS 33 -20.099 -10.962 -9.610 286 2HE LYS 33 HE1 LYS 33 -21.422 -10.585 -10.713 287 1HZ LYS 33 HZ2 LYS 33 -19.897 -10.881 -12.572 288 2HZ LYS 33 HZ1 LYS 33 -18.643 -11.282 -11.498 289 3HZ LYS 33 HZ3 LYS 33 -19.999 -12.292 -11.634 290 H GLU 34 HN GLU 34 -15.581 -6.982 -12.015 291 HA GLU 34 HA GLU 34 -14.603 -9.652 -12.533 292 1HB GLU 34 HB2 GLU 34 -13.990 -6.991 -13.855 293 2HB GLU 34 HB1 GLU 34 -13.431 -8.550 -14.462 294 1HG GLU 34 HG2 GLU 34 -16.347 -7.894 -13.971 295 2HG GLU 34 HG1 GLU 34 -15.560 -7.731 -15.542 296 H LEU 35 HN LEU 35 -13.194 -6.707 -11.226 297 HA LEU 35 HA LEU 35 -10.460 -7.402 -11.389 298 1HB LEU 35 HB2 LEU 35 -11.354 -5.156 -10.763 299 2HB LEU 35 HB1 LEU 35 -11.853 -5.820 -9.213 300 HG LEU 35 HG LEU 35 -9.378 -6.485 -8.884 301 1HD1 LEU 35 HD13 LEU 35 -9.156 -4.577 -11.230 302 2HD1 LEU 35 HD12 LEU 35 -7.813 -4.936 -10.149 303 3HD1 LEU 35 HD11 LEU 35 -8.522 -6.218 -11.123 304 1HD2 LEU 35 HD21 LEU 35 -10.333 -3.615 -8.979 305 2HD2 LEU 35 HD23 LEU 35 -10.302 -4.696 -7.586 306 3HD2 LEU 35 HD22 LEU 35 -8.791 -4.082 -8.261 307 H ILE 36 HN ILE 36 -12.837 -8.106 -8.828 308 HA ILE 36 HA ILE 36 -10.983 -9.363 -7.050 309 HB ILE 36 HB ILE 36 -13.969 -9.782 -7.371 310 1HG1 ILE 36 HG12 ILE 36 -12.432 -8.150 -5.335 311 2HG1 ILE 36 HG11 ILE 36 -13.077 -7.458 -6.822 312 1HG2 ILE 36 HG21 ILE 36 -11.971 -10.698 -5.290 313 2HG2 ILE 36 HG23 ILE 36 -13.682 -10.505 -4.902 314 3HG2 ILE 36 HG22 ILE 36 -13.183 -11.658 -6.139 315 1HD1 ILE 36 HD12 ILE 36 -14.810 -8.997 -4.882 316 2HD1 ILE 36 HD11 ILE 36 -14.559 -7.257 -4.743 317 3HD1 ILE 36 HD13 ILE 36 -15.324 -7.925 -6.184 318 H ASN 37 HN ASN 37 -12.981 -10.676 -9.685 319 HA ASN 37 HA ASN 37 -12.310 -13.432 -9.174 320 1HB ASN 37 HB2 ASN 37 -13.330 -11.985 -11.624 321 2HB ASN 37 HB1 ASN 37 -13.050 -13.727 -11.602 322 1HD2 ASN 37 HD22 ASN 37 -16.281 -14.191 -10.295 323 2HD2 ASN 37 HD21 ASN 37 -15.125 -14.626 -11.458 324 H ASN 38 HN ASN 38 -10.578 -10.848 -10.687 325 HA ASN 38 HA ASN 38 -8.982 -12.048 -12.601 326 1HB ASN 38 HB2 ASN 38 -8.165 -10.099 -10.437 327 2HB ASN 38 HB1 ASN 38 -7.135 -10.524 -11.804 328 1HD2 ASN 38 HD22 ASN 38 -10.399 -9.192 -13.612 329 2HD2 ASN 38 HD21 ASN 38 -10.194 -10.766 -13.014 330 H GLU 39 HN GLU 39 -6.997 -11.454 -9.851 331 HA GLU 39 HA GLU 39 -6.202 -14.346 -9.792 332 1HB GLU 39 HB2 GLU 39 -4.624 -11.859 -9.059 333 2HB GLU 39 HB1 GLU 39 -4.011 -13.511 -9.044 334 1HG GLU 39 HG2 GLU 39 -5.083 -12.081 -11.494 335 2HG GLU 39 HG1 GLU 39 -3.375 -12.304 -11.122 336 H LEU 40 HN LEU 40 -7.897 -12.064 -8.040 337 HA LEU 40 HA LEU 40 -6.972 -12.993 -5.374 338 1HB LEU 40 HB2 LEU 40 -8.853 -10.843 -6.348 339 2HB LEU 40 HB1 LEU 40 -8.889 -11.357 -4.663 340 HG LEU 40 HG LEU 40 -6.423 -10.890 -4.532 341 1HD1 LEU 40 HD12 LEU 40 -6.965 -9.836 -7.319 342 2HD1 LEU 40 HD11 LEU 40 -5.562 -9.358 -6.367 343 3HD1 LEU 40 HD13 LEU 40 -5.771 -11.042 -6.839 344 1HD2 LEU 40 HD22 LEU 40 -8.134 -9.253 -3.783 345 2HD2 LEU 40 HD21 LEU 40 -6.705 -8.446 -4.428 346 3HD2 LEU 40 HD23 LEU 40 -8.168 -8.564 -5.407 347 H SER 41 HN SER 41 -7.908 -14.747 -4.479 348 HA SER 41 HA SER 41 -10.814 -15.177 -4.746 349 1HB SER 41 HB2 SER 41 -10.266 -16.470 -6.627 350 2HB SER 41 HB1 SER 41 -8.725 -16.983 -5.945 351 HG SER 41 HG SER 41 -9.718 -18.616 -5.092 352 H HIS 42 HN HIS 42 -7.791 -16.762 -3.704 353 HA HIS 42 HA HIS 42 -8.991 -18.115 -1.466 354 1HB HIS 42 HB2 HIS 42 -6.106 -17.357 -2.009 355 2HB HIS 42 HB1 HIS 42 -6.635 -18.490 -0.767 356 HD1 HIS 42 HD1 HIS 42 -7.670 -20.766 -1.588 357 HD2 HIS 42 HD2 HIS 42 -6.103 -18.385 -4.633 358 HE1 HIS 42 HE1 HIS 42 -7.466 -22.253 -3.631 359 HE2 HIS 42 HE2 HIS 42 -6.507 -20.816 -5.487 360 H PHE 43 HN PHE 43 -7.200 -15.044 -1.760 361 HA PHE 43 HA PHE 43 -7.145 -14.584 1.088 362 1HB PHE 43 HB2 PHE 43 -5.749 -13.543 -0.947 363 2HB PHE 43 HB1 PHE 43 -6.976 -12.289 -0.837 364 HD1 PHE 43 HD2 PHE 43 -4.232 -14.003 0.919 365 HD2 PHE 43 HD1 PHE 43 -7.105 -10.822 1.118 366 HE1 PHE 43 HE2 PHE 43 -3.027 -13.037 2.856 367 HE2 PHE 43 HE1 PHE 43 -5.902 -9.853 3.054 368 HZ PHE 43 HZ PHE 43 -3.857 -10.962 3.922 369 H LEU 44 HN LEU 44 -9.282 -13.373 -1.518 370 HA LEU 44 HA LEU 44 -10.944 -11.965 0.490 371 1HB LEU 44 HB2 LEU 44 -10.861 -12.083 -2.514 372 2HB LEU 44 HB1 LEU 44 -12.341 -11.543 -1.731 373 HG LEU 44 HG LEU 44 -10.754 -9.690 -2.355 374 1HD1 LEU 44 HD13 LEU 44 -12.425 -9.741 -0.289 375 2HD1 LEU 44 HD12 LEU 44 -10.930 -9.672 0.644 376 3HD1 LEU 44 HD11 LEU 44 -11.306 -8.402 -0.514 377 1HD2 LEU 44 HD23 LEU 44 -8.708 -11.063 -1.781 378 2HD2 LEU 44 HD22 LEU 44 -8.693 -9.412 -1.165 379 3HD2 LEU 44 HD21 LEU 44 -9.066 -10.751 -0.084 380 H GLU 45 HN GLU 45 -12.043 -13.932 -2.257 381 HA GLU 45 HA GLU 45 -13.674 -15.602 -2.374 382 1HB GLU 45 HB2 GLU 45 -12.074 -16.659 -0.641 383 2HB GLU 45 HB1 GLU 45 -13.223 -16.109 0.576 384 1HG GLU 45 HG2 GLU 45 -15.036 -17.324 -0.646 385 2HG GLU 45 HG1 GLU 45 -13.819 -17.953 -1.755 386 H GLU 46 HN GLU 46 -15.003 -15.912 0.603 387 HA GLU 46 HA GLU 46 -17.183 -15.289 1.277 388 1HB GLU 46 HB2 GLU 46 -17.183 -12.984 2.173 389 2HB GLU 46 HB1 GLU 46 -15.699 -13.841 2.573 390 1HG GLU 46 HG2 GLU 46 -14.472 -12.680 0.868 391 2HG GLU 46 HG1 GLU 46 -15.939 -11.994 0.185 392 H ILE 47 HN ILE 47 -18.266 -12.529 0.834 393 HA ILE 47 HA ILE 47 -19.786 -11.552 -0.645 394 HB ILE 47 HB ILE 47 -17.528 -12.366 -2.486 395 1HG1 ILE 47 HG12 ILE 47 -18.552 -9.615 -1.757 396 2HG1 ILE 47 HG11 ILE 47 -17.388 -10.469 -0.750 397 1HG2 ILE 47 HG23 ILE 47 -20.214 -11.212 -3.199 398 2HG2 ILE 47 HG22 ILE 47 -18.790 -10.653 -4.075 399 3HG2 ILE 47 HG21 ILE 47 -19.219 -12.358 -4.097 400 1HD1 ILE 47 HD12 ILE 47 -17.001 -9.890 -3.699 401 2HD1 ILE 47 HD11 ILE 47 -16.302 -8.931 -2.393 402 3HD1 ILE 47 HD13 ILE 47 -15.818 -10.614 -2.610 403 H LYS 48 HN LYS 48 -21.379 -13.161 -0.120 404 HA LYS 48 HA LYS 48 -21.634 -15.490 -1.938 405 1HB LYS 48 HB2 LYS 48 -23.342 -14.589 0.406 406 2HB LYS 48 HB1 LYS 48 -23.499 -16.121 -0.453 407 1HG LYS 48 HG2 LYS 48 -21.199 -16.731 0.194 408 2HG LYS 48 HG1 LYS 48 -21.036 -15.200 1.055 409 1HD LYS 48 HD2 LYS 48 -23.167 -15.946 2.349 410 2HD LYS 48 HD1 LYS 48 -22.801 -17.554 1.720 411 1HE LYS 48 HE2 LYS 48 -21.287 -15.905 3.710 412 2HE LYS 48 HE1 LYS 48 -21.587 -17.642 3.696 413 1HZ LYS 48 HZ3 LYS 48 -20.030 -17.826 1.829 414 2HZ LYS 48 HZ2 LYS 48 -19.707 -16.161 1.936 415 3HZ LYS 48 HZ1 LYS 48 -19.287 -17.195 3.217 416 H GLU 49 HN GLU 49 -22.749 -12.256 -1.724 417 HA GLU 49 HA GLU 49 -24.732 -12.792 -3.888 418 1HB GLU 49 HB2 GLU 49 -25.266 -11.253 -1.333 419 2HB GLU 49 HB1 GLU 49 -26.289 -11.141 -2.767 420 1HG GLU 49 HG2 GLU 49 -26.678 -13.575 -2.686 421 2HG GLU 49 HG1 GLU 49 -25.659 -13.692 -1.251 422 H GLN 50 HN GLN 50 -25.187 -10.894 -5.181 423 HA GLN 50 HA GLN 50 -22.867 -9.232 -5.625 424 1HB GLN 50 HB2 GLN 50 -25.700 -9.023 -6.695 425 2HB GLN 50 HB1 GLN 50 -24.339 -8.072 -7.279 426 1HG GLN 50 HG2 GLN 50 -24.328 -9.835 -8.807 427 2HG GLN 50 HG1 GLN 50 -23.193 -10.437 -7.602 428 1HE2 GLN 50 HE22 GLN 50 -26.521 -12.538 -8.349 429 2HE2 GLN 50 HE21 GLN 50 -25.975 -11.268 -9.336 430 H GLU 51 HN GLU 51 -25.854 -8.829 -3.831 431 HA GLU 51 HA GLU 51 -25.878 -5.998 -3.624 432 1HB GLU 51 HB2 GLU 51 -27.745 -7.476 -2.900 433 2HB GLU 51 HB1 GLU 51 -26.767 -8.018 -1.540 434 1HG GLU 51 HG2 GLU 51 -28.250 -6.278 -0.746 435 2HG GLU 51 HG1 GLU 51 -26.618 -5.614 -0.783 436 H VAL 52 HN VAL 52 -24.066 -8.436 -1.770 437 HA VAL 52 HA VAL 52 -23.119 -6.697 0.279 438 HB VAL 52 HB VAL 52 -21.728 -9.071 -1.011 439 1HG1 VAL 52 HG12 VAL 52 -21.212 -7.636 1.615 440 2HG1 VAL 52 HG11 VAL 52 -20.464 -9.159 1.137 441 3HG1 VAL 52 HG13 VAL 52 -20.124 -7.688 0.229 442 1HG2 VAL 52 HG22 VAL 52 -24.019 -9.410 0.076 443 2HG2 VAL 52 HG21 VAL 52 -22.706 -10.385 0.734 444 3HG2 VAL 52 HG23 VAL 52 -23.258 -8.952 1.600 445 H VAL 53 HN VAL 53 -21.863 -7.345 -3.004 446 HA VAL 53 HA VAL 53 -19.478 -5.792 -2.736 447 HB VAL 53 HB VAL 53 -21.183 -6.313 -5.196 448 1HG1 VAL 53 HG11 VAL 53 -18.406 -5.152 -4.857 449 2HG1 VAL 53 HG13 VAL 53 -19.002 -5.789 -6.387 450 3HG1 VAL 53 HG12 VAL 53 -19.789 -4.398 -5.645 451 1HG2 VAL 53 HG22 VAL 53 -18.790 -7.691 -3.958 452 2HG2 VAL 53 HG21 VAL 53 -20.356 -8.393 -4.361 453 3HG2 VAL 53 HG23 VAL 53 -19.240 -7.929 -5.647 454 H ASP 54 HN ASP 54 -22.788 -4.895 -3.702 455 HA ASP 54 HA ASP 54 -22.234 -2.178 -4.367 456 1HB ASP 54 HB2 ASP 54 -24.729 -3.511 -3.290 457 2HB ASP 54 HB1 ASP 54 -24.681 -1.816 -3.771 458 H LYS 55 HN LYS 55 -23.018 -3.718 -1.264 459 HA LYS 55 HA LYS 55 -23.194 -1.298 0.255 460 1HB LYS 55 HB2 LYS 55 -22.321 -4.063 1.148 461 2HB LYS 55 HB1 LYS 55 -22.793 -2.754 2.223 462 1HG LYS 55 HG2 LYS 55 -24.659 -3.718 0.053 463 2HG LYS 55 HG1 LYS 55 -24.573 -4.560 1.595 464 1HD LYS 55 HD2 LYS 55 -25.231 -1.614 1.242 465 2HD LYS 55 HD1 LYS 55 -26.396 -2.888 1.571 466 1HE LYS 55 HE2 LYS 55 -26.053 -2.244 3.752 467 2HE LYS 55 HE1 LYS 55 -24.651 -3.307 3.627 468 1HZ LYS 55 HZ2 LYS 55 -24.020 -0.779 2.556 469 2HZ LYS 55 HZ1 LYS 55 -24.676 -0.574 4.110 470 3HZ LYS 55 HZ3 LYS 55 -23.324 -1.573 3.887 471 H VAL 56 HN VAL 56 -20.470 -3.415 -0.565 472 HA VAL 56 HA VAL 56 -18.510 -2.126 1.049 473 HB VAL 56 HB VAL 56 -18.297 -3.607 -1.588 474 1HG1 VAL 56 HG13 VAL 56 -16.160 -2.415 0.186 475 2HG1 VAL 56 HG12 VAL 56 -15.825 -3.791 -0.865 476 3HG1 VAL 56 HG11 VAL 56 -16.344 -2.256 -1.559 477 1HG2 VAL 56 HG23 VAL 56 -17.696 -4.336 1.298 478 2HG2 VAL 56 HG22 VAL 56 -19.022 -4.961 0.317 479 3HG2 VAL 56 HG21 VAL 56 -17.355 -5.374 -0.087 480 H MET 57 HN MET 57 -19.625 -1.455 -2.266 481 HA MET 57 HA MET 57 -17.795 0.668 -2.810 482 1HB MET 57 HB2 MET 57 -20.591 0.101 -3.821 483 2HB MET 57 HB1 MET 57 -19.595 1.419 -4.439 484 1HG MET 57 HG2 MET 57 -18.643 -1.451 -4.360 485 2HG MET 57 HG1 MET 57 -19.462 -0.756 -5.759 486 1HE MET 57 HE3 MET 57 -18.996 1.343 -6.690 487 2HE MET 57 HE2 MET 57 -17.426 2.113 -6.889 488 3HE MET 57 HE1 MET 57 -17.782 0.621 -7.754 489 H GLU 58 HN GLU 58 -21.082 0.723 -1.405 490 HA GLU 58 HA GLU 58 -21.113 3.589 -1.062 491 1HB GLU 58 HB2 GLU 58 -22.719 1.361 0.207 492 2HB GLU 58 HB1 GLU 58 -23.010 3.067 0.548 493 1HG GLU 58 HG2 GLU 58 -23.449 3.503 -1.813 494 2HG GLU 58 HG1 GLU 58 -23.059 1.831 -2.220 495 H THR 59 HN THR 59 -20.267 0.892 1.106 496 HA THR 59 HA THR 59 -19.838 2.598 3.396 497 HB THR 59 HB THR 59 -18.738 -0.164 2.804 498 HG1 THR 59 HG1 THR 59 -20.829 -0.490 2.964 499 1HG2 THR 59 HG22 THR 59 -18.786 1.571 5.273 500 2HG2 THR 59 HG21 THR 59 -18.721 -0.186 5.395 501 3HG2 THR 59 HG23 THR 59 -17.429 0.687 4.573 502 H LEU 60 HN LEU 60 -17.627 1.189 0.968 503 HA LEU 60 HA LEU 60 -15.224 2.198 2.104 504 1HB LEU 60 HB2 LEU 60 -15.176 0.543 0.314 505 2HB LEU 60 HB1 LEU 60 -15.942 1.677 -0.796 506 HG LEU 60 HG LEU 60 -13.980 3.163 -0.662 507 1HD1 LEU 60 HD12 LEU 60 -13.116 1.140 1.402 508 2HD1 LEU 60 HD11 LEU 60 -11.904 2.045 0.493 509 3HD1 LEU 60 HD13 LEU 60 -13.079 2.901 1.489 510 1HD2 LEU 60 HD22 LEU 60 -13.278 0.267 -1.223 511 2HD2 LEU 60 HD21 LEU 60 -13.995 1.401 -2.367 512 3HD2 LEU 60 HD23 LEU 60 -12.353 1.662 -1.778 513 H ASP 61 HN ASP 61 -17.315 3.629 -0.427 514 HA ASP 61 HA ASP 61 -15.778 6.126 -0.340 515 1HB ASP 61 HB2 ASP 61 -18.292 5.311 -1.814 516 2HB ASP 61 HB1 ASP 61 -17.574 6.917 -1.937 517 H GLU 62 HN GLU 62 -16.042 7.394 1.407 518 HA GLU 62 HA GLU 62 -18.334 7.403 3.107 519 1HB GLU 62 HB2 GLU 62 -16.107 9.402 2.670 520 2HB GLU 62 HB1 GLU 62 -17.375 9.647 3.874 521 1HG GLU 62 HG2 GLU 62 -15.401 8.574 4.891 522 2HG GLU 62 HG1 GLU 62 -16.792 7.491 4.927 523 H ASP 63 HN ASP 63 -17.430 9.415 0.325 524 HA ASP 63 HA ASP 63 -19.788 11.110 0.577 525 1HB ASP 63 HB2 ASP 63 -19.093 12.011 -1.610 526 2HB ASP 63 HB1 ASP 63 -17.719 11.931 -0.508 527 H GLY 64 HN GLY 64 -19.254 7.957 -0.510 528 1HA GLY 64 HA2 GLY 64 -20.581 6.447 -1.721 529 2HA GLY 64 HA1 GLY 64 -21.931 7.456 -1.203 530 H ASP 65 HN ASP 65 -19.200 8.056 -3.459 531 HA ASP 65 HA ASP 65 -21.026 9.408 -5.303 532 1HB ASP 65 HB2 ASP 65 -19.038 9.770 -6.676 533 2HB ASP 65 HB1 ASP 65 -18.659 10.132 -4.991 534 H GLY 66 HN GLY 66 -20.080 6.173 -4.791 535 1HA GLY 66 HA2 GLY 66 -20.918 4.271 -5.937 536 2HA GLY 66 HA1 GLY 66 -21.554 5.336 -7.188 537 H GLU 67 HN GLU 67 -18.358 6.168 -6.623 538 HA GLU 67 HA GLU 67 -17.279 4.192 -8.589 539 1HB GLU 67 HB2 GLU 67 -16.985 7.207 -8.809 540 2HB GLU 67 HB1 GLU 67 -16.165 6.024 -9.826 541 1HG GLU 67 HG2 GLU 67 -18.031 6.622 -11.128 542 2HG GLU 67 HG1 GLU 67 -18.558 5.132 -10.347 543 H CYS 68 HN CYS 68 -14.972 3.956 -8.462 544 HA CYS 68 HA CYS 68 -13.759 5.068 -5.947 545 1HB CYS 68 HB2 CYS 68 -12.288 2.863 -6.300 546 2HB CYS 68 HB1 CYS 68 -13.846 2.795 -5.477 547 HG CYS 68 HG CYS 68 -14.751 1.431 -7.331 548 H ASP 69 HN ASP 69 -12.095 6.411 -6.321 549 HA ASP 69 HA ASP 69 -10.819 6.481 -8.993 550 1HB ASP 69 HB2 ASP 69 -10.630 8.263 -6.551 551 2HB ASP 69 HB1 ASP 69 -9.597 8.473 -7.963 552 H PHE 70 HN PHE 70 -8.312 6.978 -8.771 553 HA PHE 70 HA PHE 70 -7.045 4.586 -7.906 554 1HB PHE 70 HB2 PHE 70 -6.007 5.954 -9.597 555 2HB PHE 70 HB1 PHE 70 -5.944 7.341 -8.514 556 HD1 PHE 70 HD1 PHE 70 -4.506 4.019 -9.258 557 HD2 PHE 70 HD2 PHE 70 -4.259 7.524 -6.794 558 HE1 PHE 70 HE1 PHE 70 -2.272 3.300 -8.464 559 HE2 PHE 70 HE2 PHE 70 -2.024 6.806 -5.996 560 HZ PHE 70 HZ PHE 70 -1.030 4.693 -6.833 561 H GLN 71 HN GLN 71 -7.112 7.822 -6.356 562 HA GLN 71 HA GLN 71 -5.535 7.106 -4.096 563 1HB GLN 71 HB2 GLN 71 -7.745 9.156 -4.419 564 2HB GLN 71 HB1 GLN 71 -6.735 9.030 -2.977 565 1HG GLN 71 HG2 GLN 71 -5.595 9.347 -5.762 566 2HG GLN 71 HG1 GLN 71 -5.931 10.715 -4.699 567 1HE2 GLN 71 HE22 GLN 71 -3.411 9.552 -2.270 568 2HE2 GLN 71 HE21 GLN 71 -5.041 10.023 -2.251 569 H GLU 72 HN GLU 72 -9.039 6.852 -4.667 570 HA GLU 72 HA GLU 72 -9.662 5.899 -2.013 571 1HB GLU 72 HB2 GLU 72 -11.130 5.665 -4.654 572 2HB GLU 72 HB1 GLU 72 -11.789 5.087 -3.122 573 1HG GLU 72 HG2 GLU 72 -11.618 7.340 -2.169 574 2HG GLU 72 HG1 GLU 72 -10.909 7.937 -3.669 575 H PHE 73 HN PHE 73 -8.874 4.316 -5.081 576 HA PHE 73 HA PHE 73 -9.367 1.634 -4.281 577 1HB PHE 73 HB2 PHE 73 -8.929 2.246 -6.615 578 2HB PHE 73 HB1 PHE 73 -7.285 2.730 -6.197 579 HD1 PHE 73 HD1 PHE 73 -9.620 -0.182 -6.199 580 HD2 PHE 73 HD2 PHE 73 -5.534 1.137 -6.113 581 HE1 PHE 73 HE1 PHE 73 -8.859 -2.522 -6.493 582 HE2 PHE 73 HE2 PHE 73 -4.771 -1.205 -6.407 583 HZ PHE 73 HZ PHE 73 -6.435 -3.035 -6.596 584 H MET 74 HN MET 74 -6.467 3.665 -3.942 585 HA MET 74 HA MET 74 -4.749 1.658 -2.880 586 1HB MET 74 HB2 MET 74 -4.840 4.652 -2.417 587 2HB MET 74 HB1 MET 74 -3.545 3.615 -1.820 588 1HG MET 74 HG2 MET 74 -4.361 3.752 -4.731 589 2HG MET 74 HG1 MET 74 -3.055 4.715 -4.046 590 1HE MET 74 HE3 MET 74 -1.223 3.965 -2.841 591 2HE MET 74 HE2 MET 74 -1.496 2.470 -1.951 592 3HE MET 74 HE1 MET 74 -0.273 2.522 -3.219 593 H ALA 75 HN ALA 75 -7.098 3.805 -1.305 594 HA ALA 75 HA ALA 75 -6.471 3.175 1.393 595 1HB ALA 75 HB1 ALA 75 -8.032 4.992 0.627 596 2HB ALA 75 HB3 ALA 75 -9.223 3.745 0.258 597 3HB ALA 75 HB2 ALA 75 -8.696 3.995 1.922 598 H PHE 76 HN PHE 76 -8.619 1.548 -0.918 599 HA PHE 76 HA PHE 76 -9.770 -0.309 0.890 600 1HB PHE 76 HB2 PHE 76 -10.660 0.018 -1.344 601 2HB PHE 76 HB1 PHE 76 -9.166 -0.587 -2.063 602 HD1 PHE 76 HD2 PHE 76 -12.205 -1.508 -0.172 603 HD2 PHE 76 HD1 PHE 76 -8.620 -2.942 -2.047 604 HE1 PHE 76 HE2 PHE 76 -13.060 -3.831 -0.025 605 HE2 PHE 76 HE1 PHE 76 -9.470 -5.265 -1.897 606 HZ PHE 76 HZ PHE 76 -11.690 -5.712 -0.888 607 H VAL 77 HN VAL 77 -6.728 -0.530 -0.974 608 HA VAL 77 HA VAL 77 -6.152 -3.244 -0.310 609 HB VAL 77 HB VAL 77 -4.325 -0.904 -0.920 610 1HG1 VAL 77 HG13 VAL 77 -3.703 -3.830 -0.458 611 2HG1 VAL 77 HG12 VAL 77 -2.643 -2.779 -1.399 612 3HG1 VAL 77 HG11 VAL 77 -2.950 -2.427 0.302 613 1HG2 VAL 77 HG23 VAL 77 -5.908 -1.765 -2.691 614 2HG2 VAL 77 HG22 VAL 77 -4.203 -1.901 -3.121 615 3HG2 VAL 77 HG21 VAL 77 -5.091 -3.324 -2.577 616 H SER 78 HN SER 78 -5.413 -0.214 1.401 617 HA SER 78 HA SER 78 -3.869 -1.445 3.490 618 1HB SER 78 HB2 SER 78 -4.263 0.679 4.713 619 2HB SER 78 HB1 SER 78 -3.746 0.961 3.054 620 HG SER 78 HG SER 78 -6.409 0.700 3.140 621 H MET 79 HN MET 79 -7.333 -0.677 3.196 622 HA MET 79 HA MET 79 -8.069 -1.307 5.868 623 1HB MET 79 HB2 MET 79 -9.604 -1.554 3.270 624 2HB MET 79 HB1 MET 79 -10.338 -1.807 4.855 625 1HG MET 79 HG2 MET 79 -9.674 0.474 5.528 626 2HG MET 79 HG1 MET 79 -8.937 0.727 3.949 627 1HE MET 79 HE1 MET 79 -11.857 -0.163 5.979 628 2HE MET 79 HE3 MET 79 -13.284 0.513 5.184 629 3HE MET 79 HE2 MET 79 -12.665 -1.062 4.699 630 H VAL 80 HN VAL 80 -7.851 -3.419 2.995 631 HA VAL 80 HA VAL 80 -8.726 -5.771 4.426 632 HB VAL 80 HB VAL 80 -7.175 -5.441 1.842 633 1HG1 VAL 80 HG12 VAL 80 -8.329 -7.915 3.160 634 2HG1 VAL 80 HG11 VAL 80 -7.885 -7.840 1.455 635 3HG1 VAL 80 HG13 VAL 80 -6.649 -7.638 2.697 636 1HG2 VAL 80 HG23 VAL 80 -9.575 -4.616 2.007 637 2HG2 VAL 80 HG22 VAL 80 -9.293 -5.849 0.779 638 3HG2 VAL 80 HG21 VAL 80 -10.047 -6.288 2.311 639 H THR 81 HN THR 81 -5.537 -4.399 3.668 640 HA THR 81 HA THR 81 -3.958 -6.562 4.635 641 HB THR 81 HB THR 81 -3.328 -3.590 4.695 642 HG1 THR 81 HG1 THR 81 -2.837 -5.600 2.756 643 1HG2 THR 81 HG22 THR 81 -1.816 -5.147 6.062 644 2HG2 THR 81 HG21 THR 81 -1.393 -5.911 4.533 645 3HG2 THR 81 HG23 THR 81 -1.019 -4.213 4.802 646 H THR 82 HN THR 82 -5.341 -3.752 6.344 647 HA THR 82 HA THR 82 -4.037 -4.187 8.827 648 HB THR 82 HB THR 82 -6.813 -3.045 8.383 649 HG1 THR 82 HG1 THR 82 -4.265 -2.145 7.895 650 1HG2 THR 82 HG23 THR 82 -4.840 -2.960 10.670 651 2HG2 THR 82 HG22 THR 82 -6.131 -1.771 10.499 652 3HG2 THR 82 HG21 THR 82 -6.525 -3.477 10.709 653 H ALA 83 HN ALA 83 -7.124 -5.525 7.611 654 HA ALA 83 HA ALA 83 -7.822 -6.880 10.034 655 1HB ALA 83 HB2 ALA 83 -9.390 -6.577 8.122 656 2HB ALA 83 HB1 ALA 83 -8.434 -7.725 7.183 657 3HB ALA 83 HB3 ALA 83 -9.283 -8.261 8.634 658 H CYS 84 HN CYS 84 -5.902 -7.880 7.220 659 HA CYS 84 HA CYS 84 -5.339 -10.513 8.368 660 1HB CYS 84 HB2 CYS 84 -4.471 -9.011 5.907 661 2HB CYS 84 HB1 CYS 84 -3.607 -10.470 6.394 662 HG CYS 84 HG CYS 84 -6.633 -10.884 6.294 663 H HIS 85 HN HIS 85 -3.594 -11.015 9.648 664 HA HIS 85 HA HIS 85 -1.210 -9.308 9.686 665 1HB HIS 85 HB2 HIS 85 -1.388 -8.741 12.076 666 2HB HIS 85 HB1 HIS 85 -2.744 -8.066 11.172 667 HD1 HIS 85 HD1 HIS 85 -5.052 -9.427 11.331 668 HD2 HIS 85 HD2 HIS 85 -2.120 -10.561 14.073 669 HE1 HIS 85 HE1 HIS 85 -6.230 -10.772 13.127 670 HE2 HIS 85 HE2 HIS 85 -4.455 -11.468 14.799 671 H GLU 86 HN GLU 86 -0.095 -10.156 12.064 672 HA GLU 86 HA GLU 86 0.832 -12.005 13.182 673 1HB GLU 86 HB2 GLU 86 -1.643 -12.972 12.601 674 2HB GLU 86 HB1 GLU 86 -0.681 -14.043 11.589 675 1HG GLU 86 HG2 GLU 86 -0.293 -13.591 14.569 676 2HG GLU 86 HG1 GLU 86 -1.013 -15.019 13.826 677 H PHE 87 HN PHE 87 1.481 -10.880 10.404 678 HA PHE 87 HA PHE 87 2.840 -11.411 8.551 679 1HB PHE 87 HB2 PHE 87 4.943 -12.831 9.648 680 2HB PHE 87 HB1 PHE 87 4.770 -11.081 9.736 681 HD1 PHE 87 HD2 PHE 87 3.559 -10.066 11.719 682 HD2 PHE 87 HD1 PHE 87 4.847 -14.162 11.622 683 HE1 PHE 87 HE2 PHE 87 3.379 -10.178 14.188 684 HE2 PHE 87 HE1 PHE 87 4.666 -14.274 14.095 685 HZ PHE 87 HZ PHE 87 3.931 -12.282 15.377 686 H PHE 88 HN PHE 88 1.501 -12.811 7.366 687 HA PHE 88 HA PHE 88 0.954 -15.506 7.905 688 1HB PHE 88 HB2 PHE 88 0.003 -14.061 6.038 689 2HB PHE 88 HB1 PHE 88 1.477 -14.412 5.133 690 HD1 PHE 88 HD1 PHE 88 2.014 -16.735 4.450 691 HD2 PHE 88 HD2 PHE 88 -1.683 -15.741 6.395 692 HE1 PHE 88 HE1 PHE 88 1.061 -18.916 3.752 693 HE2 PHE 88 HE2 PHE 88 -2.638 -17.921 5.698 694 HZ PHE 88 HZ PHE 88 -1.265 -19.509 4.377 695 H GLU 89 HN GLU 89 2.313 -17.195 8.150 696 HA GLU 89 HA GLU 89 5.051 -17.043 6.999 697 1HB GLU 89 HB2 GLU 89 5.461 -19.073 8.414 698 2HB GLU 89 HB1 GLU 89 4.984 -17.653 9.342 699 1HG GLU 89 HG2 GLU 89 2.928 -19.666 8.408 700 2HG GLU 89 HG1 GLU 89 3.837 -19.920 9.894 701 H HIS 90 HN HIS 90 5.871 -19.253 6.167 702 HA HIS 90 HA HIS 90 4.415 -19.962 3.841 703 1HB HIS 90 HB2 HIS 90 6.871 -20.345 4.264 704 2HB HIS 90 HB1 HIS 90 6.421 -21.700 5.298 705 HD1 HIS 90 HD1 HIS 90 3.998 -21.565 2.674 706 HD2 HIS 90 HD2 HIS 90 7.900 -23.011 2.954 707 HE1 HIS 90 HE1 HIS 90 4.304 -23.182 0.746 708 HE2 HIS 90 HE2 HIS 90 6.676 -24.067 0.908 709 H GLU 91 HN GLU 91 2.927 -21.578 3.422 710 HA GLU 91 HA GLU 91 2.327 -23.654 5.411 711 1HB GLU 91 HB2 GLU 91 1.083 -21.639 6.238 712 2HB GLU 91 HB1 GLU 91 0.219 -21.591 4.702 713 1HG GLU 91 HG2 GLU 91 -0.649 -23.863 5.116 714 2HG GLU 91 HG1 GLU 91 0.213 -23.912 6.653 715 1H MET 0 HT2 MET 0 -0.614 -18.126 -7.240 716 2H MET 0 HT1 MET 0 -0.101 -19.605 -7.900 717 3H MET 0 HT3 MET 0 1.016 -18.591 -7.125 718 HA MET 0 HA MET 0 1.505 -17.711 -9.077 719 1HB MET 0 HB2 MET 0 0.311 -19.885 -9.923 720 2HB MET 0 HB1 MET 0 -1.012 -18.805 -10.349 721 1HG MET 0 HG2 MET 0 1.852 -18.368 -11.259 722 2HG MET 0 HG1 MET 0 0.656 -19.241 -12.210 723 1HE MET 0 HE2 MET 0 -1.325 -18.426 -13.207 724 2HE MET 0 HE1 MET 0 -1.488 -16.789 -13.841 725 3HE MET 0 HE3 MET 0 -0.101 -17.786 -14.302 726 H SER 1 HN SER 1 0.788 -15.753 -7.730 727 HA SER 1 HA SER 1 -1.159 -14.198 -9.339 728 1HB SER 1 HB2 SER 1 -1.463 -14.817 -6.399 729 2HB SER 1 HB1 SER 1 -2.165 -13.362 -7.102 730 HG SER 1 HG SER 1 -2.984 -15.014 -8.740 731 H GLU 2 HN GLU 2 0.074 -12.472 -9.902 732 HA GLU 2 HA GLU 2 2.408 -11.604 -8.519 733 1HB GLU 2 HB2 GLU 2 1.909 -11.057 -10.892 734 2HB GLU 2 HB1 GLU 2 0.609 -9.994 -10.358 735 1HG GLU 2 HG2 GLU 2 2.554 -8.622 -10.780 736 2HG GLU 2 HG1 GLU 2 2.329 -8.689 -9.036 737 H LEU 3 HN LEU 3 -0.957 -10.427 -8.380 738 HA LEU 3 HA LEU 3 -0.458 -8.208 -6.673 739 1HB LEU 3 HB2 LEU 3 -2.652 -9.054 -7.943 740 2HB LEU 3 HB1 LEU 3 -3.004 -9.787 -6.385 741 HG LEU 3 HG LEU 3 -4.043 -7.612 -6.416 742 1HD1 LEU 3 HD11 LEU 3 -2.683 -8.387 -4.354 743 2HD1 LEU 3 HD13 LEU 3 -1.532 -7.134 -4.824 744 3HD1 LEU 3 HD12 LEU 3 -3.195 -6.702 -4.427 745 1HD2 LEU 3 HD23 LEU 3 -2.239 -6.800 -8.216 746 2HD2 LEU 3 HD22 LEU 3 -3.094 -5.652 -7.192 747 3HD2 LEU 3 HD21 LEU 3 -1.453 -6.137 -6.782 748 H GLU 4 HN GLU 4 -1.190 -11.608 -5.907 749 HA GLU 4 HA GLU 4 -1.352 -11.301 -3.085 750 1HB GLU 4 HB2 GLU 4 -2.049 -13.348 -4.314 751 2HB GLU 4 HB1 GLU 4 -0.355 -13.705 -4.645 752 1HG GLU 4 HG2 GLU 4 -1.126 -14.993 -2.703 753 2HG GLU 4 HG1 GLU 4 0.085 -13.815 -2.202 754 H LYS 5 HN LYS 5 1.468 -11.985 -5.163 755 HA LYS 5 HA LYS 5 3.348 -12.402 -3.075 756 1HB LYS 5 HB2 LYS 5 3.730 -12.804 -5.542 757 2HB LYS 5 HB1 LYS 5 3.938 -11.061 -5.726 758 1HG LYS 5 HG2 LYS 5 5.769 -11.132 -4.034 759 2HG LYS 5 HG1 LYS 5 5.595 -12.886 -3.958 760 1HD LYS 5 HD2 LYS 5 6.077 -13.015 -6.396 761 2HD LYS 5 HD1 LYS 5 6.328 -11.270 -6.417 762 1HE LYS 5 HE2 LYS 5 7.900 -13.192 -4.678 763 2HE LYS 5 HE1 LYS 5 8.461 -12.571 -6.230 764 1HZ LYS 5 HZ1 LYS 5 7.652 -10.360 -4.831 765 2HZ LYS 5 HZ3 LYS 5 8.455 -11.308 -3.677 766 3HZ LYS 5 HZ2 LYS 5 9.255 -10.852 -5.104 767 H ALA 6 HN ALA 6 2.416 -9.380 -4.728 768 HA ALA 6 HA ALA 6 4.264 -7.683 -3.395 769 1HB ALA 6 HB2 ALA 6 1.473 -7.049 -4.402 770 2HB ALA 6 HB1 ALA 6 2.698 -5.851 -3.981 771 3HB ALA 6 HB3 ALA 6 2.962 -6.941 -5.342 772 H MET 7 HN MET 7 0.938 -8.592 -2.533 773 HA MET 7 HA MET 7 0.718 -7.005 -0.187 774 1HB MET 7 HB2 MET 7 -1.155 -8.220 -1.313 775 2HB MET 7 HB1 MET 7 -0.494 -9.740 -0.718 776 1HG MET 7 HG2 MET 7 -2.196 -9.130 0.841 777 2HG MET 7 HG1 MET 7 -0.679 -8.730 1.633 778 1HE MET 7 HE3 MET 7 -3.336 -7.779 -0.652 779 2HE MET 7 HE2 MET 7 -4.162 -6.558 0.307 780 3HE MET 7 HE1 MET 7 -3.080 -6.063 -0.989 781 H VAL 8 HN VAL 8 1.862 -10.361 -0.612 782 HA VAL 8 HA VAL 8 2.421 -10.771 2.184 783 HB VAL 8 HB VAL 8 3.451 -12.169 -0.296 784 1HG1 VAL 8 HG12 VAL 8 3.750 -12.794 2.648 785 2HG1 VAL 8 HG11 VAL 8 3.932 -14.025 1.395 786 3HG1 VAL 8 HG13 VAL 8 5.025 -12.641 1.438 787 1HG2 VAL 8 HG22 VAL 8 1.217 -12.737 1.673 788 2HG2 VAL 8 HG21 VAL 8 1.062 -12.409 -0.054 789 3HG2 VAL 8 HG23 VAL 8 1.800 -13.915 0.494 790 H ALA 9 HN ALA 9 4.472 -9.783 -0.571 791 HA ALA 9 HA ALA 9 6.942 -9.811 0.840 792 1HB ALA 9 HB2 ALA 9 5.983 -8.157 -1.503 793 2HB ALA 9 HB1 ALA 9 7.630 -8.055 -0.881 794 3HB ALA 9 HB3 ALA 9 7.027 -9.578 -1.535 795 H LEU 10 HN LEU 10 4.476 -7.270 0.533 796 HA LEU 10 HA LEU 10 5.918 -5.208 1.862 797 1HB LEU 10 HB2 LEU 10 3.612 -5.185 0.599 798 2HB LEU 10 HB1 LEU 10 2.935 -5.565 2.173 799 HG LEU 10 HG LEU 10 2.831 -3.189 1.946 800 1HD1 LEU 10 HD12 LEU 10 3.720 -4.125 4.132 801 2HD1 LEU 10 HD11 LEU 10 5.326 -3.639 3.582 802 3HD1 LEU 10 HD13 LEU 10 4.071 -2.427 3.823 803 1HD2 LEU 10 HD21 LEU 10 4.682 -3.192 0.114 804 2HD2 LEU 10 HD23 LEU 10 4.543 -1.785 1.163 805 3HD2 LEU 10 HD22 LEU 10 5.804 -2.975 1.457 806 H ILE 11 HN ILE 11 3.578 -7.573 3.195 807 HA ILE 11 HA ILE 11 4.007 -6.768 5.930 808 HB ILE 11 HB ILE 11 2.931 -9.348 4.750 809 1HG1 ILE 11 HG12 ILE 11 1.456 -7.035 6.042 810 2HG1 ILE 11 HG11 ILE 11 1.695 -7.171 4.299 811 1HG2 ILE 11 HG22 ILE 11 2.965 -8.302 7.595 812 2HG2 ILE 11 HG21 ILE 11 1.918 -9.612 7.051 813 3HG2 ILE 11 HG23 ILE 11 3.669 -9.808 7.005 814 1HD1 ILE 11 HD11 ILE 11 0.590 -9.415 4.371 815 2HD1 ILE 11 HD13 ILE 11 0.256 -9.159 6.083 816 3HD1 ILE 11 HD12 ILE 11 -0.480 -8.108 4.874 817 H ASP 12 HN ASP 12 5.389 -9.346 3.904 818 HA ASP 12 HA ASP 12 6.888 -10.639 5.944 819 1HB ASP 12 HB2 ASP 12 6.517 -11.569 3.668 820 2HB ASP 12 HB1 ASP 12 7.609 -10.349 3.014 821 H VAL 13 HN VAL 13 7.912 -8.050 3.680 822 HA VAL 13 HA VAL 13 10.554 -7.824 4.753 823 HB VAL 13 HB VAL 13 8.807 -5.814 3.304 824 1HG1 VAL 13 HG12 VAL 13 11.734 -5.708 4.078 825 2HG1 VAL 13 HG11 VAL 13 11.026 -4.687 2.826 826 3HG1 VAL 13 HG13 VAL 13 10.474 -4.545 4.494 827 1HG2 VAL 13 HG22 VAL 13 9.496 -7.966 2.148 828 2HG2 VAL 13 HG21 VAL 13 10.042 -6.490 1.350 829 3HG2 VAL 13 HG23 VAL 13 11.170 -7.439 2.321 830 H PHE 14 HN PHE 14 7.531 -6.137 5.557 831 HA PHE 14 HA PHE 14 8.623 -4.301 7.434 832 1HB PHE 14 HB2 PHE 14 6.346 -4.095 6.550 833 2HB PHE 14 HB1 PHE 14 5.876 -5.576 7.385 834 HD1 PHE 14 HD1 PHE 14 6.783 -2.028 7.791 835 HD2 PHE 14 HD2 PHE 14 5.619 -5.636 9.811 836 HE1 PHE 14 HE1 PHE 14 6.289 -0.720 9.840 837 HE2 PHE 14 HE2 PHE 14 5.130 -4.329 11.863 838 HZ PHE 14 HZ PHE 14 5.464 -1.870 11.878 839 H HIS 15 HN HIS 15 7.211 -7.551 8.012 840 HA HIS 15 HA HIS 15 7.732 -7.450 10.848 841 1HB HIS 15 HB2 HIS 15 6.026 -8.945 9.878 842 2HB HIS 15 HB1 HIS 15 7.295 -9.862 9.063 843 HD1 HIS 15 HD1 HIS 15 8.414 -11.683 10.396 844 HD2 HIS 15 HD2 HIS 15 6.265 -9.064 12.829 845 HE1 HIS 15 HE1 HIS 15 8.488 -12.655 12.736 846 HE2 HIS 15 HE2 HIS 15 7.186 -11.066 14.225 847 H GLN 16 HN GLN 16 9.449 -9.110 8.172 848 HA GLN 16 HA GLN 16 11.501 -10.165 9.882 849 1HB GLN 16 HB2 GLN 16 11.159 -9.823 6.920 850 2HB GLN 16 HB1 GLN 16 12.765 -10.207 7.529 851 1HG GLN 16 HG2 GLN 16 11.532 -12.263 6.957 852 2HG GLN 16 HG1 GLN 16 11.863 -12.190 8.687 853 1HE2 GLN 16 HE22 GLN 16 8.399 -13.032 8.946 854 2HE2 GLN 16 HE21 GLN 16 9.974 -13.662 9.001 855 H TYR 17 HN TYR 17 11.410 -7.166 7.898 856 HA TYR 17 HA TYR 17 14.134 -6.481 8.565 857 1HB TYR 17 HB2 TYR 17 12.805 -5.520 6.618 858 2HB TYR 17 HB1 TYR 17 11.983 -4.495 7.801 859 HD1 TYR 17 HD2 TYR 17 15.184 -5.238 6.142 860 HD2 TYR 17 HD1 TYR 17 13.198 -2.728 9.008 861 HE1 TYR 17 HE2 TYR 17 17.129 -3.702 6.144 862 HE2 TYR 17 HE1 TYR 17 15.148 -1.192 9.010 863 HH TYR 17 HH TYR 17 17.879 -1.689 6.801 864 H SER 18 HN SER 18 11.004 -5.534 9.973 865 HA SER 18 HA SER 18 12.028 -3.602 11.794 866 1HB SER 18 HB2 SER 18 9.935 -3.818 12.961 867 2HB SER 18 HB1 SER 18 9.608 -3.967 11.238 868 HG SER 18 HG SER 18 9.016 -5.680 13.139 869 H GLY 19 HN GLY 19 11.621 -7.124 12.177 870 1HA GLY 19 HA2 GLY 19 12.530 -7.033 14.957 871 2HA GLY 19 HA1 GLY 19 12.225 -8.492 14.017 872 H ARG 20 HN ARG 20 14.055 -6.908 11.955 873 HA ARG 20 HA ARG 20 16.394 -8.465 12.357 874 1HB ARG 20 HB2 ARG 20 15.593 -7.213 10.240 875 2HB ARG 20 HB1 ARG 20 16.363 -5.794 10.938 876 1HG ARG 20 HG2 ARG 20 18.112 -6.647 9.649 877 2HG ARG 20 HG1 ARG 20 18.444 -7.413 11.202 878 1HD ARG 20 HD2 ARG 20 17.271 -9.448 10.467 879 2HD ARG 20 HD1 ARG 20 16.871 -8.676 8.934 880 HE ARG 20 HE ARG 20 19.625 -8.515 9.028 881 1HH1 ARG 20 HH21 ARG 20 17.244 -10.969 9.419 882 2HH1 ARG 20 HH22 ARG 20 18.254 -12.240 8.817 883 1HH2 ARG 20 HH11 ARG 20 20.968 -10.167 8.232 884 2HH2 ARG 20 HH12 ARG 20 20.362 -11.788 8.149 885 H GLU 21 HN GLU 21 15.625 -5.138 13.311 886 HA GLU 21 HA GLU 21 18.268 -4.873 14.634 887 1HB GLU 21 HB2 GLU 21 16.860 -3.099 13.151 888 2HB GLU 21 HB1 GLU 21 16.230 -2.678 14.738 889 1HG GLU 21 HG2 GLU 21 18.541 -2.358 15.567 890 2HG GLU 21 HG1 GLU 21 19.163 -2.774 13.971 891 H GLY 22 HN GLY 22 15.321 -6.122 15.470 892 1HA GLY 22 HA2 GLY 22 14.616 -6.809 17.635 893 2HA GLY 22 HA1 GLY 22 15.903 -5.827 18.337 894 H ASP 23 HN ASP 23 13.990 -4.250 15.982 895 HA ASP 23 HA ASP 23 13.023 -2.298 17.883 896 1HB ASP 23 HB2 ASP 23 12.369 -2.823 14.973 897 2HB ASP 23 HB1 ASP 23 11.704 -1.472 15.886 898 H LYS 24 HN LYS 24 11.883 -5.346 16.834 899 HA LYS 24 HA LYS 24 9.932 -6.545 17.272 900 1HB LYS 24 HB2 LYS 24 9.800 -4.496 19.495 901 2HB LYS 24 HB1 LYS 24 8.676 -5.844 19.357 902 1HG LYS 24 HG2 LYS 24 10.666 -7.396 19.315 903 2HG LYS 24 HG1 LYS 24 11.683 -6.006 19.682 904 1HD LYS 24 HD2 LYS 24 9.399 -7.044 21.390 905 2HD LYS 24 HD1 LYS 24 11.119 -7.197 21.748 906 1HE LYS 24 HE2 LYS 24 11.141 -4.585 21.544 907 2HE LYS 24 HE1 LYS 24 9.400 -4.731 21.787 908 1HZ LYS 24 HZ3 LYS 24 11.160 -6.213 23.588 909 2HZ LYS 24 HZ2 LYS 24 11.058 -4.529 23.795 910 3HZ LYS 24 HZ1 LYS 24 9.658 -5.486 23.896 911 H HIS 25 HN HIS 25 9.390 -5.284 15.120 912 HA HIS 25 HA HIS 25 7.814 -4.195 13.802 913 1HB HIS 25 HB2 HIS 25 5.472 -4.719 14.354 914 2HB HIS 25 HB1 HIS 25 6.516 -6.129 14.497 915 HD1 HIS 25 HD1 HIS 25 5.206 -3.371 16.800 916 HD2 HIS 25 HD2 HIS 25 6.162 -7.431 16.891 917 HE1 HIS 25 HE1 HIS 25 4.657 -4.188 19.138 918 HE2 HIS 25 HE2 HIS 25 5.235 -6.657 19.201 919 H LYS 26 HN LYS 26 9.103 -2.318 15.367 920 HA LYS 26 HA LYS 26 6.924 -0.306 15.674 921 1HB LYS 26 HB2 LYS 26 9.059 -0.892 17.745 922 2HB LYS 26 HB1 LYS 26 8.125 0.603 17.719 923 1HG LYS 26 HG2 LYS 26 6.028 -0.781 17.803 924 2HG LYS 26 HG1 LYS 26 7.033 -2.207 18.022 925 1HD LYS 26 HD2 LYS 26 7.227 0.196 19.849 926 2HD LYS 26 HD1 LYS 26 6.108 -1.130 20.156 927 1HE LYS 26 HE2 LYS 26 8.106 -2.701 20.027 928 2HE LYS 26 HE1 LYS 26 9.129 -1.265 20.030 929 1HZ LYS 26 HZ2 LYS 26 7.817 -0.613 22.095 930 2HZ LYS 26 HZ1 LYS 26 7.315 -2.235 22.145 931 3HZ LYS 26 HZ3 LYS 26 8.964 -1.856 22.254 932 H LEU 27 HN LEU 27 7.480 1.548 14.598 933 HA LEU 27 HA LEU 27 10.306 1.803 13.651 934 1HB LEU 27 HB2 LEU 27 7.643 2.785 12.642 935 2HB LEU 27 HB1 LEU 27 9.121 3.614 12.149 936 HG LEU 27 HG LEU 27 10.040 1.510 11.282 937 1HD1 LEU 27 HD13 LEU 27 7.507 0.377 12.467 938 2HD1 LEU 27 HD12 LEU 27 8.299 -0.432 11.112 939 3HD1 LEU 27 HD11 LEU 27 9.165 -0.204 12.630 940 1HD2 LEU 27 HD21 LEU 27 7.295 2.359 10.350 941 2HD2 LEU 27 HD23 LEU 27 8.862 2.709 9.621 942 3HD2 LEU 27 HD22 LEU 27 8.183 1.086 9.513 943 H LYS 28 HN LYS 28 11.570 3.184 14.730 944 HA LYS 28 HA LYS 28 10.344 5.553 16.113 945 1HB LYS 28 HB2 LYS 28 11.640 3.588 17.388 946 2HB LYS 28 HB1 LYS 28 13.061 4.479 16.853 947 1HG LYS 28 HG2 LYS 28 12.696 5.580 18.861 948 2HG LYS 28 HG1 LYS 28 11.658 6.559 17.835 949 1HD LYS 28 HD2 LYS 28 10.142 6.076 19.521 950 2HD LYS 28 HD1 LYS 28 9.850 4.680 18.485 951 1HE LYS 28 HE2 LYS 28 11.459 3.358 19.829 952 2HE LYS 28 HE1 LYS 28 11.726 4.757 20.871 953 1HZ LYS 28 HZ2 LYS 28 8.984 3.804 20.429 954 2HZ LYS 28 HZ1 LYS 28 9.982 2.960 21.515 955 3HZ LYS 28 HZ3 LYS 28 9.645 4.602 21.774 956 H LYS 29 HN LYS 29 12.288 7.299 16.383 957 HA LYS 29 HA LYS 29 12.867 8.273 13.778 958 1HB LYS 29 HB2 LYS 29 12.832 9.824 15.599 959 2HB LYS 29 HB1 LYS 29 14.025 8.903 16.503 960 1HG LYS 29 HG2 LYS 29 14.999 10.942 15.492 961 2HG LYS 29 HG1 LYS 29 15.763 9.490 14.864 962 1HD LYS 29 HD2 LYS 29 14.468 9.630 12.817 963 2HD LYS 29 HD1 LYS 29 13.504 10.958 13.470 964 1HE LYS 29 HE2 LYS 29 15.229 11.870 11.999 965 2HE LYS 29 HE1 LYS 29 15.596 12.314 13.665 966 1HZ LYS 29 HZ3 LYS 29 16.704 9.836 12.535 967 2HZ LYS 29 HZ2 LYS 29 17.438 11.324 12.171 968 3HZ LYS 29 HZ1 LYS 29 17.310 10.809 13.785 969 H SER 30 HN SER 30 14.867 6.392 16.043 970 HA SER 30 HA SER 30 17.283 6.506 14.530 971 1HB SER 30 HB2 SER 30 18.002 4.622 15.855 972 2HB SER 30 HB1 SER 30 17.030 5.658 16.897 973 HG SER 30 HG SER 30 16.207 3.659 17.189 974 H GLU 31 HN GLU 31 14.635 4.127 14.499 975 HA GLU 31 HA GLU 31 15.817 2.475 12.461 976 1HB GLU 31 HB2 GLU 31 14.101 1.647 14.026 977 2HB GLU 31 HB1 GLU 31 12.919 2.739 13.310 978 1HG GLU 31 HG2 GLU 31 13.178 1.597 11.132 979 2HG GLU 31 HG1 GLU 31 14.368 0.510 11.847 980 H LEU 32 HN LEU 32 13.449 5.133 12.337 981 HA LEU 32 HA LEU 32 12.717 4.852 9.613 982 1HB LEU 32 HB2 LEU 32 11.583 6.333 11.253 983 2HB LEU 32 HB1 LEU 32 12.964 7.422 11.199 984 HG LEU 32 HG LEU 32 11.737 6.701 8.554 985 1HD1 LEU 32 HD13 LEU 32 10.408 8.588 10.514 986 2HD1 LEU 32 HD12 LEU 32 9.969 8.409 8.816 987 3HD1 LEU 32 HD11 LEU 32 9.741 7.064 9.933 988 1HD2 LEU 32 HD22 LEU 32 12.826 9.249 9.805 989 2HD2 LEU 32 HD21 LEU 32 13.576 8.282 8.539 990 3HD2 LEU 32 HD23 LEU 32 12.105 9.184 8.199 991 H LYS 33 HN LYS 33 15.309 6.887 11.019 992 HA LYS 33 HA LYS 33 16.220 7.964 8.555 993 1HB LYS 33 HB2 LYS 33 16.918 8.724 10.849 994 2HB LYS 33 HB1 LYS 33 17.906 7.270 10.978 995 1HG LYS 33 HG2 LYS 33 19.185 7.947 8.987 996 2HG LYS 33 HG1 LYS 33 18.192 9.399 8.840 997 1HD LYS 33 HD2 LYS 33 18.981 10.240 10.961 998 2HD LYS 33 HD1 LYS 33 19.819 8.726 11.305 999 1HE LYS 33 HE2 LYS 33 20.471 10.374 8.858 1000 2HE LYS 33 HE1 LYS 33 21.249 10.675 10.414 1001 1HZ LYS 33 HZ2 LYS 33 21.423 7.986 10.139 1002 2HZ LYS 33 HZ1 LYS 33 21.661 8.532 8.549 1003 3HZ LYS 33 HZ3 LYS 33 22.666 9.092 9.794 1004 H GLU 34 HN GLU 34 17.161 5.012 10.294 1005 HA GLU 34 HA GLU 34 19.133 4.198 8.345 1006 1HB GLU 34 HB2 GLU 34 17.601 2.647 10.453 1007 2HB GLU 34 HB1 GLU 34 18.907 1.962 9.484 1008 1HG GLU 34 HG2 GLU 34 19.207 4.449 11.189 1009 2HG GLU 34 HG1 GLU 34 19.646 2.830 11.735 1010 H LEU 35 HN LEU 35 15.681 3.651 8.764 1011 HA LEU 35 HA LEU 35 15.344 1.533 6.922 1012 1HB LEU 35 HB2 LEU 35 13.597 2.328 8.496 1013 2HB LEU 35 HB1 LEU 35 13.434 3.802 7.550 1014 HG LEU 35 HG LEU 35 12.911 2.226 5.546 1015 1HD1 LEU 35 HD11 LEU 35 12.533 0.348 7.898 1016 2HD1 LEU 35 HD13 LEU 35 11.847 0.073 6.299 1017 3HD1 LEU 35 HD12 LEU 35 13.595 0.107 6.510 1018 1HD2 LEU 35 HD23 LEU 35 11.078 2.608 7.922 1019 2HD2 LEU 35 HD22 LEU 35 11.177 3.597 6.465 1020 3HD2 LEU 35 HD21 LEU 35 10.520 1.963 6.378 1021 H ILE 36 HN ILE 36 15.335 5.056 6.367 1022 HA ILE 36 HA ILE 36 14.659 4.891 3.591 1023 HB ILE 36 HB ILE 36 16.212 7.031 5.071 1024 1HG1 ILE 36 HG12 ILE 36 13.293 6.931 4.244 1025 2HG1 ILE 36 HG11 ILE 36 13.862 6.494 5.855 1026 1HG2 ILE 36 HG22 ILE 36 14.992 6.906 2.303 1027 2HG2 ILE 36 HG21 ILE 36 15.325 8.438 3.112 1028 3HG2 ILE 36 HG23 ILE 36 16.648 7.331 2.742 1029 1HD1 ILE 36 HD12 ILE 36 14.893 8.767 6.055 1030 2HD1 ILE 36 HD11 ILE 36 14.166 9.190 4.506 1031 3HD1 ILE 36 HD13 ILE 36 13.137 8.814 5.888 1032 H ASN 37 HN ASN 37 17.800 4.869 5.257 1033 HA ASN 37 HA ASN 37 19.375 4.959 2.846 1034 1HB ASN 37 HB2 ASN 37 19.962 4.024 5.658 1035 2HB ASN 37 HB1 ASN 37 21.177 3.988 4.381 1036 1HD2 ASN 37 HD22 ASN 37 21.989 7.332 5.087 1037 2HD2 ASN 37 HD21 ASN 37 22.527 5.748 4.802 1038 H ASN 38 HN ASN 38 17.613 2.411 4.387 1039 HA ASN 38 HA ASN 38 18.990 0.086 3.800 1040 1HB ASN 38 HB2 ASN 38 16.045 0.668 3.423 1041 2HB ASN 38 HB1 ASN 38 16.736 -0.953 3.346 1042 1HD2 ASN 38 HD22 ASN 38 17.864 0.274 6.944 1043 2HD2 ASN 38 HD21 ASN 38 18.663 0.662 5.498 1044 H GLU 39 HN GLU 39 16.346 0.271 1.605 1045 HA GLU 39 HA GLU 39 18.239 -0.002 -0.707 1046 1HB GLU 39 HB2 GLU 39 15.386 -0.990 -0.399 1047 2HB GLU 39 HB1 GLU 39 16.445 -1.285 -1.777 1048 1HG GLU 39 HG2 GLU 39 17.032 -2.161 1.066 1049 2HG GLU 39 HG1 GLU 39 16.396 -3.213 -0.199 1050 H LEU 40 HN LEU 40 16.149 2.184 0.714 1051 HA LEU 40 HA LEU 40 15.094 3.268 -1.843 1052 1HB LEU 40 HB2 LEU 40 14.635 3.896 1.076 1053 2HB LEU 40 HB1 LEU 40 14.118 5.023 -0.177 1054 HG LEU 40 HG LEU 40 12.843 3.152 -1.259 1055 1HD1 LEU 40 HD12 LEU 40 13.880 1.697 1.177 1056 2HD1 LEU 40 HD11 LEU 40 12.383 1.205 0.396 1057 3HD1 LEU 40 HD13 LEU 40 13.892 1.180 -0.508 1058 1HD2 LEU 40 HD21 LEU 40 12.244 4.043 1.569 1059 2HD2 LEU 40 HD23 LEU 40 11.530 4.615 0.060 1060 3HD2 LEU 40 HD22 LEU 40 11.121 3.015 0.680 1061 H SER 41 HN SER 41 16.260 4.737 -2.941 1062 HA SER 41 HA SER 41 17.770 6.821 -1.502 1063 1HB SER 41 HB2 SER 41 19.568 5.309 -1.595 1064 2HB SER 41 HB1 SER 41 19.048 4.637 -3.136 1065 HG SER 41 HG SER 41 19.732 6.483 -4.155 1066 H HIS 42 HN HIS 42 17.334 5.333 -4.720 1067 HA HIS 42 HA HIS 42 17.583 7.818 -6.153 1068 1HB HIS 42 HB2 HIS 42 16.276 5.201 -6.958 1069 2HB HIS 42 HB1 HIS 42 16.673 6.519 -8.060 1070 HD1 HIS 42 HD1 HIS 42 19.214 6.977 -8.514 1071 HD2 HIS 42 HD2 HIS 42 18.476 3.630 -6.138 1072 HE1 HIS 42 HE1 HIS 42 21.377 5.656 -8.442 1073 HE2 HIS 42 HE2 HIS 42 20.940 3.623 -6.992 1074 H PHE 43 HN PHE 43 14.771 5.949 -5.002 1075 HA PHE 43 HA PHE 43 12.855 7.674 -6.293 1076 1HB PHE 43 HB2 PHE 43 12.672 5.212 -5.244 1077 2HB PHE 43 HB1 PHE 43 12.090 6.109 -3.846 1078 HD1 PHE 43 HD2 PHE 43 11.491 5.333 -7.408 1079 HD2 PHE 43 HD1 PHE 43 9.938 7.251 -3.896 1080 HE1 PHE 43 HE2 PHE 43 9.278 5.548 -8.502 1081 HE2 PHE 43 HE1 PHE 43 7.727 7.467 -4.988 1082 HZ PHE 43 HZ PHE 43 7.395 6.608 -7.294 1083 H LEU 44 HN LEU 44 14.107 7.541 -2.939 1084 HA LEU 44 HA LEU 44 12.535 9.958 -2.252 1085 1HB LEU 44 HB2 LEU 44 14.218 7.998 -0.711 1086 2HB LEU 44 HB1 LEU 44 13.872 9.570 -0.002 1087 HG LEU 44 HG LEU 44 12.255 7.749 0.648 1088 1HD1 LEU 44 HD13 LEU 44 11.735 10.327 0.427 1089 2HD1 LEU 44 HD12 LEU 44 10.701 9.804 -0.904 1090 3HD1 LEU 44 HD11 LEU 44 10.430 9.181 0.720 1091 1HD2 LEU 44 HD23 LEU 44 12.231 6.599 -1.553 1092 2HD2 LEU 44 HD22 LEU 44 10.608 6.994 -0.990 1093 3HD2 LEU 44 HD21 LEU 44 11.364 7.969 -2.241 1094 H GLU 45 HN GLU 45 15.905 9.229 -1.394 1095 HA GLU 45 HA GLU 45 17.823 10.562 -1.521 1096 1HB GLU 45 HB2 GLU 45 17.127 10.549 -4.010 1097 2HB GLU 45 HB1 GLU 45 16.454 12.150 -3.706 1098 1HG GLU 45 HG2 GLU 45 18.679 12.880 -2.834 1099 2HG GLU 45 HG1 GLU 45 19.332 11.305 -3.278 1100 H GLU 46 HN GLU 46 16.901 13.506 -2.632 1101 HA GLU 46 HA GLU 46 16.848 15.541 -1.426 1102 1HB GLU 46 HB2 GLU 46 14.610 15.883 -0.416 1103 2HB GLU 46 HB1 GLU 46 14.516 15.117 -1.996 1104 1HG GLU 46 HG2 GLU 46 14.117 12.961 -1.019 1105 2HG GLU 46 HG1 GLU 46 14.489 13.551 0.593 1106 H ILE 47 HN ILE 47 15.361 15.801 1.180 1107 HA ILE 47 HA ILE 47 15.968 15.928 3.432 1108 HB ILE 47 HB ILE 47 16.828 13.114 2.712 1109 1HG1 ILE 47 HG12 ILE 47 14.645 14.029 4.597 1110 2HG1 ILE 47 HG11 ILE 47 14.365 13.915 2.863 1111 1HG2 ILE 47 HG22 ILE 47 17.171 14.610 5.305 1112 2HG2 ILE 47 HG21 ILE 47 16.794 12.889 5.345 1113 3HG2 ILE 47 HG23 ILE 47 18.256 13.449 4.541 1114 1HD1 ILE 47 HD12 ILE 47 15.441 11.622 4.523 1115 2HD1 ILE 47 HD11 ILE 47 13.727 11.842 4.168 1116 3HD1 ILE 47 HD13 ILE 47 14.870 11.559 2.855 1117 H LYS 48 HN LYS 48 17.473 17.642 2.981 1118 HA LYS 48 HA LYS 48 20.321 16.907 2.603 1119 1HB LYS 48 HB2 LYS 48 18.973 19.618 2.820 1120 2HB LYS 48 HB1 LYS 48 20.660 19.341 2.385 1121 1HG LYS 48 HG2 LYS 48 19.941 18.045 0.411 1122 2HG LYS 48 HG1 LYS 48 18.255 18.325 0.843 1123 1HD LYS 48 HD2 LYS 48 18.859 20.845 0.774 1124 2HD LYS 48 HD1 LYS 48 20.310 20.330 -0.087 1125 1HE LYS 48 HE2 LYS 48 17.450 20.238 -0.972 1126 2HE LYS 48 HE1 LYS 48 18.894 20.642 -1.899 1127 1HZ LYS 48 HZ3 LYS 48 19.511 18.219 -1.619 1128 2HZ LYS 48 HZ2 LYS 48 17.913 17.967 -1.100 1129 3HZ LYS 48 HZ1 LYS 48 18.218 18.552 -2.664 1130 H GLU 49 HN GLU 49 18.144 17.574 5.159 1131 HA GLU 49 HA GLU 49 20.428 17.760 7.069 1132 1HB GLU 49 HB2 GLU 49 18.062 19.645 6.949 1133 2HB GLU 49 HB1 GLU 49 19.115 19.499 8.356 1134 1HG GLU 49 HG2 GLU 49 21.064 20.089 6.963 1135 2HG GLU 49 HG1 GLU 49 20.012 20.240 5.554 1136 H GLN 50 HN GLN 50 19.853 17.083 9.235 1137 HA GLN 50 HA GLN 50 17.991 14.875 9.279 1138 1HB GLN 50 HB2 GLN 50 19.433 16.305 11.536 1139 2HB GLN 50 HB1 GLN 50 18.533 14.801 11.716 1140 1HG GLN 50 HG2 GLN 50 20.694 13.978 11.398 1141 2HG GLN 50 HG1 GLN 50 20.094 13.969 9.742 1142 1HE2 GLN 50 HE22 GLN 50 23.303 16.199 10.619 1143 2HE2 GLN 50 HE21 GLN 50 22.673 15.017 11.662 1144 H GLU 51 HN GLU 51 17.783 18.255 10.183 1145 HA GLU 51 HA GLU 51 15.526 18.127 11.900 1146 1HB GLU 51 HB2 GLU 51 16.916 20.166 11.555 1147 2HB GLU 51 HB1 GLU 51 16.240 20.329 9.937 1148 1HG GLU 51 HG2 GLU 51 15.005 21.798 11.415 1149 2HG GLU 51 HG1 GLU 51 13.947 20.456 10.990 1150 H VAL 52 HN VAL 52 15.735 18.167 8.350 1151 HA VAL 52 HA VAL 52 12.963 18.579 7.833 1152 HB VAL 52 HB VAL 52 14.999 16.954 6.271 1153 1HG1 VAL 52 HG12 VAL 52 12.186 17.861 5.619 1154 2HG1 VAL 52 HG11 VAL 52 13.354 17.442 4.366 1155 3HG1 VAL 52 HG13 VAL 52 12.846 16.227 5.540 1156 1HG2 VAL 52 HG23 VAL 52 15.395 19.452 6.653 1157 2HG2 VAL 52 HG22 VAL 52 15.321 18.935 4.968 1158 3HG2 VAL 52 HG21 VAL 52 13.932 19.732 5.709 1159 H VAL 53 HN VAL 53 14.787 15.583 8.531 1160 HA VAL 53 HA VAL 53 12.608 13.784 8.086 1161 HB VAL 53 HB VAL 53 14.965 13.575 9.992 1162 1HG1 VAL 53 HG13 VAL 53 12.899 11.529 9.126 1163 2HG1 VAL 53 HG12 VAL 53 14.435 11.100 9.875 1164 3HG1 VAL 53 HG11 VAL 53 13.254 12.053 10.772 1165 1HG2 VAL 53 HG22 VAL 53 14.432 12.452 7.223 1166 2HG2 VAL 53 HG21 VAL 53 15.612 13.697 7.637 1167 3HG2 VAL 53 HG23 VAL 53 15.829 12.046 8.220 1168 H ASP 54 HN ASP 54 13.632 15.602 10.971 1169 HA ASP 54 HA ASP 54 11.734 14.497 12.790 1170 1HB ASP 54 HB2 ASP 54 13.082 17.204 12.658 1171 2HB ASP 54 HB1 ASP 54 12.019 16.739 13.986 1172 H LYS 55 HN LYS 55 11.490 17.219 10.516 1173 HA LYS 55 HA LYS 55 8.887 18.091 11.340 1174 1HB LYS 55 HB2 LYS 55 10.191 18.259 8.604 1175 2HB LYS 55 HB1 LYS 55 8.778 19.174 9.113 1176 1HG LYS 55 HG2 LYS 55 11.355 19.322 10.681 1177 2HG LYS 55 HG1 LYS 55 11.126 20.314 9.246 1178 1HD LYS 55 HD2 LYS 55 9.309 20.314 11.684 1179 2HD LYS 55 HD1 LYS 55 10.513 21.537 11.309 1180 1HE LYS 55 HE2 LYS 55 8.720 22.598 10.335 1181 2HE LYS 55 HE1 LYS 55 9.090 21.538 8.974 1182 1HZ LYS 55 HZ2 LYS 55 7.589 19.933 10.481 1183 2HZ LYS 55 HZ1 LYS 55 6.895 21.436 10.863 1184 3HZ LYS 55 HZ3 LYS 55 6.964 20.922 9.249 1185 H VAL 56 HN VAL 56 9.976 15.692 8.967 1186 HA VAL 56 HA VAL 56 7.429 15.091 7.844 1187 HB VAL 56 HB VAL 56 9.911 13.397 8.248 1188 1HG1 VAL 56 HG11 VAL 56 7.303 12.764 6.852 1189 2HG1 VAL 56 HG13 VAL 56 8.813 11.962 6.417 1190 3HG1 VAL 56 HG12 VAL 56 8.163 11.793 8.047 1191 1HG2 VAL 56 HG21 VAL 56 8.708 14.862 5.881 1192 2HG2 VAL 56 HG23 VAL 56 10.209 15.262 6.718 1193 3HG2 VAL 56 HG22 VAL 56 10.094 13.777 5.771 1194 H MET 57 HN MET 57 9.110 13.751 10.685 1195 HA MET 57 HA MET 57 7.137 11.806 11.365 1196 1HB MET 57 HB2 MET 57 9.109 13.365 13.048 1197 2HB MET 57 HB1 MET 57 8.084 12.094 13.710 1198 1HG MET 57 HG2 MET 57 9.920 11.679 11.336 1199 2HG MET 57 HG1 MET 57 10.396 11.331 12.998 1200 1HE MET 57 HE1 MET 57 8.698 10.062 14.604 1201 2HE MET 57 HE3 MET 57 8.410 8.384 14.131 1202 3HE MET 57 HE2 MET 57 10.040 9.049 14.084 1203 H GLU 58 HN GLU 58 7.506 15.205 12.394 1204 HA GLU 58 HA GLU 58 5.157 15.185 14.067 1205 1HB GLU 58 HB2 GLU 58 6.792 17.393 12.811 1206 2HB GLU 58 HB1 GLU 58 5.377 17.731 13.806 1207 1HG GLU 58 HG2 GLU 58 6.369 16.544 15.691 1208 2HG GLU 58 HG1 GLU 58 7.754 16.076 14.703 1209 H THR 59 HN THR 59 5.722 16.176 10.693 1210 HA THR 59 HA THR 59 3.032 17.145 10.301 1211 HB THR 59 HB THR 59 5.061 16.187 8.264 1212 HG1 THR 59 HG1 THR 59 5.725 17.954 9.571 1213 1HG2 THR 59 HG23 THR 59 2.467 17.721 8.035 1214 2HG2 THR 59 HG22 THR 59 3.698 17.740 6.771 1215 3HG2 THR 59 HG21 THR 59 2.915 16.223 7.218 1216 H LEU 60 HN LEU 60 4.627 14.044 9.523 1217 HA LEU 60 HA LEU 60 2.379 12.851 8.263 1218 1HB LEU 60 HB2 LEU 60 4.576 11.824 8.112 1219 2HB LEU 60 HB1 LEU 60 4.630 11.594 9.857 1220 HG LEU 60 HG LEU 60 2.707 10.040 9.717 1221 1HD1 LEU 60 HD12 LEU 60 2.851 10.799 6.797 1222 2HD1 LEU 60 HD11 LEU 60 2.156 9.259 7.301 1223 3HD1 LEU 60 HD13 LEU 60 1.442 10.770 7.859 1224 1HD2 LEU 60 HD21 LEU 60 5.013 9.444 7.846 1225 2HD2 LEU 60 HD23 LEU 60 4.924 9.074 9.568 1226 3HD2 LEU 60 HD22 LEU 60 3.872 8.232 8.430 1227 H ASP 61 HN ASP 61 3.423 12.676 11.682 1228 HA ASP 61 HA ASP 61 0.934 11.312 12.420 1229 1HB ASP 61 HB2 ASP 61 3.256 12.382 14.042 1230 2HB ASP 61 HB1 ASP 61 1.849 11.600 14.765 1231 H GLU 62 HN GLU 62 -0.894 12.505 12.423 1232 HA GLU 62 HA GLU 62 -0.999 15.342 12.741 1233 1HB GLU 62 HB2 GLU 62 -3.091 13.180 13.044 1234 2HB GLU 62 HB1 GLU 62 -3.467 14.894 13.224 1235 1HG GLU 62 HG2 GLU 62 -3.895 14.151 10.913 1236 2HG GLU 62 HG1 GLU 62 -2.580 15.325 10.959 1237 H ASP 63 HN ASP 63 -1.361 12.668 15.051 1238 HA ASP 63 HA ASP 63 -1.952 14.460 17.272 1239 1HB ASP 63 HB2 ASP 63 -1.701 12.445 18.667 1240 2HB ASP 63 HB1 ASP 63 -2.718 12.104 17.267 1241 H GLY 64 HN GLY 64 0.848 13.665 15.559 1242 1HA GLY 64 HA2 GLY 64 3.125 14.047 15.967 1243 2HA GLY 64 HA1 GLY 64 2.564 15.317 17.050 1244 H ASP 65 HN ASP 65 2.369 11.733 17.207 1245 HA ASP 65 HA ASP 65 2.987 11.832 20.067 1246 1HB ASP 65 HB2 ASP 65 2.768 9.400 19.983 1247 2HB ASP 65 HB1 ASP 65 1.431 10.144 19.106 1248 H GLY 66 HN GLY 66 4.842 11.758 17.208 1249 1HA GLY 66 HA2 GLY 66 7.212 11.848 17.076 1250 2HA GLY 66 HA1 GLY 66 7.297 11.420 18.782 1251 H GLU 67 HN GLU 67 5.219 9.271 17.267 1252 HA GLU 67 HA GLU 67 7.404 7.382 16.495 1253 1HB GLU 67 HB2 GLU 67 5.116 6.722 18.378 1254 2HB GLU 67 HB1 GLU 67 6.271 5.560 17.730 1255 1HG GLU 67 HG2 GLU 67 7.176 6.079 19.839 1256 2HG GLU 67 HG1 GLU 67 8.090 7.121 18.750 1257 H CYS 68 HN CYS 68 6.689 5.719 15.035 1258 HA CYS 68 HA CYS 68 4.049 6.295 13.716 1259 1HB CYS 68 HB2 CYS 68 5.402 5.181 11.697 1260 2HB CYS 68 HB1 CYS 68 5.558 6.900 12.057 1261 HG CYS 68 HG CYS 68 7.608 4.954 13.360 1262 H ASP 69 HN ASP 69 2.646 4.648 13.883 1263 HA ASP 69 HA ASP 69 3.594 1.962 14.692 1264 1HB ASP 69 HB2 ASP 69 0.844 3.199 14.399 1265 2HB ASP 69 HB1 ASP 69 1.083 1.488 14.745 1266 H PHE 70 HN PHE 70 2.200 0.140 13.533 1267 HA PHE 70 HA PHE 70 3.104 -0.037 10.844 1268 1HB PHE 70 HB2 PHE 70 2.609 -2.042 12.084 1269 2HB PHE 70 HB1 PHE 70 0.942 -1.537 12.345 1270 HD1 PHE 70 HD1 PHE 70 3.368 -2.789 9.852 1271 HD2 PHE 70 HD2 PHE 70 -0.728 -1.740 10.604 1272 HE1 PHE 70 HE1 PHE 70 2.696 -3.919 7.752 1273 HE2 PHE 70 HE2 PHE 70 -1.401 -2.868 8.501 1274 HZ PHE 70 HZ PHE 70 0.310 -3.959 7.075 1275 H GLN 71 HN GLN 71 -0.172 0.683 12.106 1276 HA GLN 71 HA GLN 71 -1.409 0.997 9.561 1277 1HB GLN 71 HB2 GLN 71 -2.019 2.259 12.248 1278 2HB GLN 71 HB1 GLN 71 -3.063 2.427 10.835 1279 1HG GLN 71 HG2 GLN 71 -2.189 -0.261 11.907 1280 2HG GLN 71 HG1 GLN 71 -3.678 0.532 12.420 1281 1HE2 GLN 71 HE22 GLN 71 -5.077 0.316 9.023 1282 2HE2 GLN 71 HE21 GLN 71 -4.848 1.507 10.211 1283 H GLU 72 HN GLU 72 0.335 3.321 11.611 1284 HA GLU 72 HA GLU 72 -0.158 5.600 9.905 1285 1HB GLU 72 HB2 GLU 72 1.981 5.036 11.978 1286 2HB GLU 72 HB1 GLU 72 1.825 6.581 11.141 1287 1HG GLU 72 HG2 GLU 72 -0.485 6.809 11.971 1288 2HG GLU 72 HG1 GLU 72 -0.340 5.262 12.804 1289 H PHE 73 HN PHE 73 2.424 3.188 10.126 1290 HA PHE 73 HA PHE 73 4.209 4.337 8.237 1291 1HB PHE 73 HB2 PHE 73 4.852 2.447 9.662 1292 2HB PHE 73 HB1 PHE 73 3.674 1.415 8.849 1293 HD1 PHE 73 HD1 PHE 73 6.738 3.465 8.283 1294 HD2 PHE 73 HD2 PHE 73 4.198 0.333 6.804 1295 HE1 PHE 73 HE1 PHE 73 8.402 2.947 6.519 1296 HE2 PHE 73 HE2 PHE 73 5.864 -0.189 5.043 1297 HZ PHE 73 HZ PHE 73 7.966 1.120 4.899 1298 H MET 74 HN MET 74 1.445 2.148 7.789 1299 HA MET 74 HA MET 74 1.785 1.711 4.998 1300 1HB MET 74 HB2 MET 74 -0.705 1.784 6.725 1301 2HB MET 74 HB1 MET 74 -0.717 1.289 5.031 1302 1HG MET 74 HG2 MET 74 1.049 0.015 7.138 1303 2HG MET 74 HG1 MET 74 -0.523 -0.627 6.667 1304 1HE MET 74 HE3 MET 74 -1.264 -1.043 4.516 1305 2HE MET 74 HE2 MET 74 -0.437 -0.210 3.203 1306 3HE MET 74 HE1 MET 74 -0.335 -1.965 3.326 1307 H ALA 75 HN ALA 75 0.132 4.303 6.778 1308 HA ALA 75 HA ALA 75 -1.064 5.606 4.553 1309 1HB ALA 75 HB1 ALA 75 -0.090 6.587 7.237 1310 2HB ALA 75 HB3 ALA 75 -0.805 7.695 6.063 1311 3HB ALA 75 HB2 ALA 75 -1.751 6.348 6.694 1312 H PHE 76 HN PHE 76 2.186 5.934 5.946 1313 HA PHE 76 HA PHE 76 3.030 8.151 4.395 1314 1HB PHE 76 HB2 PHE 76 4.316 7.363 6.300 1315 2HB PHE 76 HB1 PHE 76 4.632 5.829 5.493 1316 HD1 PHE 76 HD2 PHE 76 5.393 9.442 5.534 1317 HD2 PHE 76 HD1 PHE 76 6.208 5.665 3.659 1318 HE1 PHE 76 HE2 PHE 76 7.374 10.426 4.412 1319 HE2 PHE 76 HE1 PHE 76 8.186 6.648 2.536 1320 HZ PHE 76 HZ PHE 76 8.773 9.027 2.912 1321 H VAL 77 HN VAL 77 3.119 4.665 3.621 1322 HA VAL 77 HA VAL 77 4.621 4.912 1.210 1323 HB VAL 77 HB VAL 77 2.512 2.909 2.054 1324 1HG1 VAL 77 HG11 VAL 77 4.241 3.039 -0.423 1325 2HG1 VAL 77 HG13 VAL 77 3.621 1.507 0.194 1326 3HG1 VAL 77 HG12 VAL 77 2.501 2.769 -0.318 1327 1HG2 VAL 77 HG23 VAL 77 4.626 2.984 3.362 1328 2HG2 VAL 77 HG22 VAL 77 4.465 1.477 2.460 1329 3HG2 VAL 77 HG21 VAL 77 5.538 2.748 1.872 1330 H SER 78 HN SER 78 1.116 5.133 1.803 1331 HA SER 78 HA SER 78 0.384 5.425 -0.960 1332 1HB SER 78 HB2 SER 78 -1.750 6.330 -0.055 1333 2HB SER 78 HB1 SER 78 -1.279 4.823 0.724 1334 HG SER 78 HG SER 78 -1.935 6.583 2.155 1335 H MET 79 HN MET 79 1.184 7.796 1.571 1336 HA MET 79 HA MET 79 0.475 10.125 0.110 1337 1HB MET 79 HB2 MET 79 2.615 9.669 2.202 1338 2HB MET 79 HB1 MET 79 2.202 11.264 1.574 1339 1HG MET 79 HG2 MET 79 -0.138 10.943 2.306 1340 2HG MET 79 HG1 MET 79 0.281 9.354 2.937 1341 1HE MET 79 HE2 MET 79 0.873 12.964 2.810 1342 2HE MET 79 HE1 MET 79 1.299 13.496 4.432 1343 3HE MET 79 HE3 MET 79 2.544 12.854 3.354 1344 H VAL 80 HN VAL 80 3.558 8.327 0.199 1345 HA VAL 80 HA VAL 80 4.894 10.143 -1.609 1346 HB VAL 80 HB VAL 80 5.473 7.276 -0.816 1347 1HG1 VAL 80 HG11 VAL 80 7.069 9.211 -2.518 1348 2HG1 VAL 80 HG13 VAL 80 7.760 7.769 -1.776 1349 3HG1 VAL 80 HG12 VAL 80 6.488 7.613 -2.985 1350 1HG2 VAL 80 HG23 VAL 80 5.647 9.052 0.938 1351 2HG2 VAL 80 HG22 VAL 80 7.198 8.297 0.572 1352 3HG2 VAL 80 HG21 VAL 80 6.817 9.892 -0.077 1353 H THR 81 HN THR 81 3.126 7.089 -2.047 1354 HA THR 81 HA THR 81 3.694 6.736 -4.811 1355 HB THR 81 HB THR 81 1.181 5.968 -3.290 1356 HG1 THR 81 HG1 THR 81 2.969 5.046 -2.351 1357 1HG2 THR 81 HG21 THR 81 2.309 5.199 -5.981 1358 2HG2 THR 81 HG23 THR 81 1.240 4.110 -5.097 1359 3HG2 THR 81 HG22 THR 81 0.668 5.707 -5.578 1360 H THR 82 HN THR 82 1.115 8.596 -3.195 1361 HA THR 82 HA THR 82 -0.368 9.232 -5.534 1362 HB THR 82 HB THR 82 0.012 10.942 -3.056 1363 HG1 THR 82 HG1 THR 82 -0.935 8.582 -3.199 1364 1HG2 THR 82 HG21 THR 82 -1.883 11.021 -5.395 1365 2HG2 THR 82 HG23 THR 82 -2.438 11.549 -3.806 1366 3HG2 THR 82 HG22 THR 82 -1.070 12.355 -4.574 1367 H ALA 83 HN ALA 83 2.411 10.934 -4.056 1368 HA ALA 83 HA ALA 83 2.380 13.148 -5.869 1369 1HB ALA 83 HB3 ALA 83 4.571 11.856 -4.237 1370 2HB ALA 83 HB2 ALA 83 4.894 13.236 -5.286 1371 3HB ALA 83 HB1 ALA 83 3.754 13.392 -3.949 1372 H CYS 84 HN CYS 84 3.985 9.986 -6.013 1373 HA CYS 84 HA CYS 84 5.167 10.554 -8.631 1374 1HB CYS 84 HB2 CYS 84 5.050 8.167 -6.801 1375 2HB CYS 84 HB1 CYS 84 5.590 7.969 -8.468 1376 HG CYS 84 HG CYS 84 7.194 9.283 -6.241 1377 H HIS 85 HN HIS 85 4.229 10.085 -10.593 1378 HA HIS 85 HA HIS 85 2.063 8.119 -10.797 1379 1HB HIS 85 HB2 HIS 85 0.397 9.721 -11.652 1380 2HB HIS 85 HB1 HIS 85 0.849 10.114 -9.992 1381 HD1 HIS 85 HD1 HIS 85 2.601 12.118 -9.698 1382 HD2 HIS 85 HD2 HIS 85 0.966 11.731 -13.516 1383 HE1 HIS 85 HE1 HIS 85 3.080 14.292 -10.906 1384 HE2 HIS 85 HE2 HIS 85 2.090 14.068 -13.231 1385 H GLU 86 HN GLU 86 1.019 8.878 -13.243 1386 HA GLU 86 HA GLU 86 1.487 9.054 -15.538 1387 1HB GLU 86 HB2 GLU 86 3.406 10.681 -14.502 1388 2HB GLU 86 HB1 GLU 86 4.438 9.415 -15.160 1389 1HG GLU 86 HG2 GLU 86 2.318 10.950 -16.701 1390 2HG GLU 86 HG1 GLU 86 4.059 11.206 -16.817 1391 H PHE 87 HN PHE 87 1.904 6.669 -13.668 1392 HA PHE 87 HA PHE 87 2.847 4.503 -13.734 1393 1HB PHE 87 HB2 PHE 87 2.607 3.756 -16.386 1394 2HB PHE 87 HB1 PHE 87 1.282 3.751 -15.229 1395 HD1 PHE 87 HD2 PHE 87 -0.136 5.850 -14.984 1396 HD2 PHE 87 HD1 PHE 87 2.570 5.219 -18.259 1397 HE1 PHE 87 HE2 PHE 87 -1.322 7.587 -16.297 1398 HE2 PHE 87 HE1 PHE 87 1.385 6.958 -19.573 1399 HZ PHE 87 HZ PHE 87 -0.561 8.141 -18.592 1400 H PHE 88 HN PHE 88 5.029 4.910 -13.254 1401 HA PHE 88 HA PHE 88 6.982 5.948 -14.977 1402 1HB PHE 88 HB2 PHE 88 7.234 5.344 -12.517 1403 2HB PHE 88 HB1 PHE 88 7.469 3.675 -13.040 1404 HD1 PHE 88 HD1 PHE 88 9.407 3.068 -14.481 1405 HD2 PHE 88 HD2 PHE 88 8.928 7.011 -12.846 1406 HE1 PHE 88 HE1 PHE 88 11.785 3.566 -14.983 1407 HE2 PHE 88 HE2 PHE 88 11.303 7.510 -13.349 1408 HZ PHE 88 HZ PHE 88 12.732 5.788 -14.417 1409 H GLU 89 HN GLU 89 7.646 5.235 -16.929 1410 HA GLU 89 HA GLU 89 7.188 2.397 -17.678 1411 1HB GLU 89 HB2 GLU 89 7.820 3.181 -19.974 1412 2HB GLU 89 HB1 GLU 89 6.410 4.003 -19.316 1413 1HG GLU 89 HG2 GLU 89 9.182 5.166 -18.997 1414 2HG GLU 89 HG1 GLU 89 8.238 5.449 -20.455 1415 H HIS 90 HN HIS 90 9.039 1.478 -19.110 1416 HA HIS 90 HA HIS 90 11.347 1.164 -17.484 1417 1HB HIS 90 HB2 HIS 90 10.540 -0.403 -19.292 1418 2HB HIS 90 HB1 HIS 90 11.185 0.731 -20.478 1419 HD1 HIS 90 HD1 HIS 90 13.355 0.894 -17.648 1420 HD2 HIS 90 HD2 HIS 90 12.919 -1.779 -20.821 1421 HE1 HIS 90 HE1 HIS 90 15.529 -0.402 -17.799 1422 HE2 HIS 90 HE2 HIS 90 15.273 -2.031 -19.727 1423 H GLU 91 HN GLU 91 13.331 2.184 -17.484 1424 HA GLU 91 HA GLU 91 14.059 4.103 -19.580 1425 1HB GLU 91 HB2 GLU 91 12.512 5.407 -18.119 1426 2HB GLU 91 HB1 GLU 91 13.561 5.066 -16.744 1427 1HG GLU 91 HG2 GLU 91 15.432 6.203 -17.883 1428 2HG GLU 91 HG1 GLU 91 14.382 6.549 -19.259 No H/Q in entry = 1428 Start of MODEL 19 1 1H MET 0 HT3 MET 0 16.586 -6.696 -7.692 2 2H MET 0 HT2 MET 0 16.331 -5.850 -9.144 3 3H MET 0 HT1 MET 0 17.882 -6.420 -8.750 4 HA MET 0 HA MET 0 18.363 -4.656 -7.522 5 1HB MET 0 HB2 MET 0 16.738 -3.886 -9.569 6 2HB MET 0 HB1 MET 0 15.803 -3.260 -8.218 7 1HG MET 0 HG2 MET 0 18.657 -2.592 -8.972 8 2HG MET 0 HG1 MET 0 17.281 -1.496 -8.865 9 1HE MET 0 HE3 MET 0 19.815 -0.634 -7.653 10 2HE MET 0 HE2 MET 0 18.329 0.254 -7.324 11 3HE MET 0 HE1 MET 0 19.417 -0.150 -5.998 12 H SER 1 HN SER 1 16.077 -2.836 -6.437 13 HA SER 1 HA SER 1 15.940 -4.155 -3.836 14 1HB SER 1 HB2 SER 1 14.538 -1.646 -4.802 15 2HB SER 1 HB1 SER 1 14.718 -2.154 -3.126 16 HG SER 1 HG SER 1 16.401 -0.832 -3.411 17 H GLU 2 HN GLU 2 14.390 -5.577 -3.255 18 HA GLU 2 HA GLU 2 12.253 -6.306 -5.021 19 1HB GLU 2 HB2 GLU 2 11.503 -7.759 -3.187 20 2HB GLU 2 HB1 GLU 2 13.250 -7.874 -3.398 21 1HG GLU 2 HG2 GLU 2 13.491 -6.125 -1.583 22 2HG GLU 2 HG1 GLU 2 11.761 -6.299 -1.284 23 H LEU 3 HN LEU 3 12.332 -4.258 -2.104 24 HA LEU 3 HA LEU 3 9.517 -3.943 -1.833 25 1HB LEU 3 HB2 LEU 3 11.167 -3.172 -0.132 26 2HB LEU 3 HB1 LEU 3 11.696 -1.908 -1.235 27 HG LEU 3 HG LEU 3 9.251 -1.098 -1.251 28 1HD1 LEU 3 HD11 LEU 3 9.171 -3.103 1.012 29 2HD1 LEU 3 HD13 LEU 3 8.062 -1.737 0.936 30 3HD1 LEU 3 HD12 LEU 3 8.057 -2.942 -0.346 31 1HD2 LEU 3 HD23 LEU 3 11.105 -0.948 1.122 32 2HD2 LEU 3 HD22 LEU 3 10.729 0.289 -0.079 33 3HD2 LEU 3 HD21 LEU 3 9.547 -0.121 1.160 34 H GLU 4 HN GLU 4 11.891 -2.064 -3.717 35 HA GLU 4 HA GLU 4 10.085 -0.119 -4.729 36 1HB GLU 4 HB2 GLU 4 12.564 -1.311 -6.010 37 2HB GLU 4 HB1 GLU 4 11.742 0.142 -6.578 38 1HG GLU 4 HG2 GLU 4 12.833 -0.186 -3.770 39 2HG GLU 4 HG1 GLU 4 13.704 0.616 -5.077 40 H LYS 5 HN LYS 5 10.928 -3.347 -5.954 41 HA LYS 5 HA LYS 5 9.478 -3.154 -8.402 42 1HB LYS 5 HB2 LYS 5 11.131 -4.967 -7.764 43 2HB LYS 5 HB1 LYS 5 9.858 -5.673 -6.769 44 1HG LYS 5 HG2 LYS 5 8.405 -5.882 -8.735 45 2HG LYS 5 HG1 LYS 5 9.643 -5.133 -9.745 46 1HD LYS 5 HD2 LYS 5 11.206 -6.994 -9.073 47 2HD LYS 5 HD1 LYS 5 9.840 -7.780 -8.281 48 1HE LYS 5 HE2 LYS 5 10.038 -7.068 -11.223 49 2HE LYS 5 HE1 LYS 5 10.115 -8.691 -10.535 50 1HZ LYS 5 HZ3 LYS 5 7.829 -7.766 -9.494 51 2HZ LYS 5 HZ2 LYS 5 7.827 -6.989 -11.004 52 3HZ LYS 5 HZ1 LYS 5 7.924 -8.682 -10.917 53 H ALA 6 HN ALA 6 8.468 -4.160 -5.144 54 HA ALA 6 HA ALA 6 5.805 -4.934 -5.944 55 1HB ALA 6 HB2 ALA 6 6.910 -4.074 -3.254 56 2HB ALA 6 HB1 ALA 6 5.299 -4.752 -3.498 57 3HB ALA 6 HB3 ALA 6 6.727 -5.730 -3.833 58 H MET 7 HN MET 7 7.219 -1.908 -4.712 59 HA MET 7 HA MET 7 4.714 -0.507 -4.517 60 1HB MET 7 HB2 MET 7 7.198 0.062 -3.662 61 2HB MET 7 HB1 MET 7 7.246 0.983 -5.161 62 1HG MET 7 HG2 MET 7 5.255 2.241 -4.491 63 2HG MET 7 HG1 MET 7 5.091 1.255 -3.040 64 1HE MET 7 HE2 MET 7 7.075 3.504 -5.136 65 2HE MET 7 HE1 MET 7 6.520 4.799 -4.078 66 3HE MET 7 HE3 MET 7 8.230 4.351 -4.112 67 H VAL 8 HN VAL 8 7.114 -0.863 -7.108 68 HA VAL 8 HA VAL 8 5.828 0.936 -8.953 69 HB VAL 8 HB VAL 8 7.744 -1.376 -9.374 70 1HG1 VAL 8 HG11 VAL 8 6.502 0.556 -11.344 71 2HG1 VAL 8 HG13 VAL 8 8.045 -0.239 -11.666 72 3HG1 VAL 8 HG12 VAL 8 6.585 -1.203 -11.447 73 1HG2 VAL 8 HG21 VAL 8 8.610 0.637 -8.188 74 2HG2 VAL 8 HG23 VAL 8 9.365 0.426 -9.766 75 3HG2 VAL 8 HG22 VAL 8 8.100 1.636 -9.547 76 H ALA 9 HN ALA 9 5.561 -2.560 -8.360 77 HA ALA 9 HA ALA 9 3.951 -3.242 -10.576 78 1HB ALA 9 HB3 ALA 9 4.961 -4.818 -8.850 79 2HB ALA 9 HB2 ALA 9 3.609 -4.397 -7.800 80 3HB ALA 9 HB1 ALA 9 3.311 -5.196 -9.343 81 H LEU 10 HN LEU 10 2.987 -1.896 -7.414 82 HA LEU 10 HA LEU 10 0.171 -2.104 -7.828 83 1HB LEU 10 HB2 LEU 10 1.782 -0.035 -6.302 84 2HB LEU 10 HB1 LEU 10 0.030 -0.189 -6.201 85 HG LEU 10 HG LEU 10 1.984 -2.420 -5.547 86 1HD1 LEU 10 HD12 LEU 10 2.057 -0.401 -4.003 87 2HD1 LEU 10 HD11 LEU 10 0.376 -0.747 -3.602 88 3HD1 LEU 10 HD13 LEU 10 1.633 -1.926 -3.226 89 1HD2 LEU 10 HD22 LEU 10 -1.017 -2.150 -5.512 90 2HD2 LEU 10 HD21 LEU 10 -0.022 -3.515 -6.015 91 3HD2 LEU 10 HD23 LEU 10 -0.244 -3.174 -4.303 92 H ILE 11 HN ILE 11 2.506 0.426 -8.709 93 HA ILE 11 HA ILE 11 0.505 2.129 -9.949 94 HB ILE 11 HB ILE 11 3.519 2.062 -10.267 95 1HG1 ILE 11 HG12 ILE 11 1.791 3.928 -8.617 96 2HG1 ILE 11 HG11 ILE 11 2.573 2.495 -7.949 97 1HG2 ILE 11 HG21 ILE 11 1.386 3.999 -11.180 98 2HG2 ILE 11 HG23 ILE 11 3.062 4.499 -10.967 99 3HG2 ILE 11 HG22 ILE 11 2.660 3.247 -12.139 100 1HD1 ILE 11 HD13 ILE 11 4.080 4.669 -9.422 101 2HD1 ILE 11 HD12 ILE 11 3.888 4.643 -7.669 102 3HD1 ILE 11 HD11 ILE 11 4.761 3.343 -8.479 103 H ASP 12 HN ASP 12 2.871 -0.242 -11.166 104 HA ASP 12 HA ASP 12 2.241 0.191 -13.947 105 1HB ASP 12 HB2 ASP 12 4.339 -0.901 -13.020 106 2HB ASP 12 HB1 ASP 12 3.364 -2.340 -12.723 107 H VAL 13 HN VAL 13 1.080 -2.143 -11.526 108 HA VAL 13 HA VAL 13 -0.521 -3.680 -13.343 109 HB VAL 13 HB VAL 13 -0.721 -3.245 -10.348 110 1HG1 VAL 13 HG13 VAL 13 -2.335 -5.013 -12.200 111 2HG1 VAL 13 HG12 VAL 13 -2.171 -5.355 -10.478 112 3HG1 VAL 13 HG11 VAL 13 -2.933 -3.857 -11.011 113 1HG2 VAL 13 HG23 VAL 13 1.262 -4.471 -11.382 114 2HG2 VAL 13 HG22 VAL 13 0.333 -5.396 -10.203 115 3HG2 VAL 13 HG21 VAL 13 0.113 -5.689 -11.928 116 H PHE 14 HN PHE 14 -1.229 -0.808 -11.371 117 HA PHE 14 HA PHE 14 -4.031 -0.708 -11.836 118 1HB PHE 14 HB2 PHE 14 -2.813 0.716 -10.196 119 2HB PHE 14 HB1 PHE 14 -2.105 1.618 -11.534 120 HD1 PHE 14 HD2 PHE 14 -3.569 2.980 -13.043 121 HD2 PHE 14 HD1 PHE 14 -5.084 1.077 -9.500 122 HE1 PHE 14 HE2 PHE 14 -5.577 4.435 -13.117 123 HE2 PHE 14 HE1 PHE 14 -7.089 2.540 -9.573 124 HZ PHE 14 HZ PHE 14 -7.336 4.217 -11.380 125 H HIS 15 HN HIS 15 -1.335 0.695 -13.718 126 HA HIS 15 HA HIS 15 -2.953 2.008 -15.666 127 1HB HIS 15 HB2 HIS 15 -0.227 0.749 -16.089 128 2HB HIS 15 HB1 HIS 15 -0.951 2.033 -17.055 129 HD1 HIS 15 HD1 HIS 15 -2.094 3.173 -14.072 130 HD2 HIS 15 HD2 HIS 15 1.813 2.817 -15.488 131 HE1 HIS 15 HE1 HIS 15 -0.686 4.775 -12.702 132 HE2 HIS 15 HE2 HIS 15 1.692 4.574 -13.564 133 H GLN 16 HN GLN 16 -1.453 -1.240 -15.720 134 HA GLN 16 HA GLN 16 -2.635 -1.975 -18.247 135 1HB GLN 16 HB2 GLN 16 -0.608 -3.061 -17.235 136 2HB GLN 16 HB1 GLN 16 -1.658 -3.799 -16.028 137 1HG GLN 16 HG2 GLN 16 -1.346 -5.436 -17.756 138 2HG GLN 16 HG1 GLN 16 -2.980 -4.807 -17.959 139 1HE2 GLN 16 HE22 GLN 16 -0.209 -4.208 -20.870 140 2HE2 GLN 16 HE21 GLN 16 0.189 -5.017 -19.432 141 H TYR 17 HN TYR 17 -3.568 -2.546 -14.857 142 HA TYR 17 HA TYR 17 -5.831 -4.203 -15.536 143 1HB TYR 17 HB2 TYR 17 -4.588 -3.910 -13.243 144 2HB TYR 17 HB1 TYR 17 -5.697 -2.562 -13.005 145 HD1 TYR 17 HD2 TYR 17 -8.194 -2.985 -13.063 146 HD2 TYR 17 HD1 TYR 17 -5.309 -6.167 -13.073 147 HE1 TYR 17 HE2 TYR 17 -9.963 -4.595 -12.396 148 HE2 TYR 17 HE1 TYR 17 -7.074 -7.773 -12.408 149 HH TYR 17 HH TYR 17 -10.221 -6.730 -11.398 150 H SER 18 HN SER 18 -5.443 -0.725 -14.910 151 HA SER 18 HA SER 18 -8.270 -0.137 -15.091 152 1HB SER 18 HB2 SER 18 -7.614 2.166 -15.062 153 2HB SER 18 HB1 SER 18 -6.486 1.320 -14.007 154 HG SER 18 HG SER 18 -6.036 1.881 -16.756 155 H GLY 19 HN GLY 19 -5.600 -0.177 -17.416 156 1HA GLY 19 HA2 GLY 19 -7.060 1.034 -19.579 157 2HA GLY 19 HA1 GLY 19 -5.592 0.074 -19.750 158 H ARG 20 HN ARG 20 -8.120 -1.512 -18.069 159 HA ARG 20 HA ARG 20 -8.290 -3.633 -19.953 160 1HB ARG 20 HB2 ARG 20 -9.037 -3.481 -17.434 161 2HB ARG 20 HB1 ARG 20 -10.574 -2.951 -18.100 162 1HG ARG 20 HG2 ARG 20 -10.920 -5.247 -18.013 163 2HG ARG 20 HG1 ARG 20 -10.284 -5.092 -19.648 164 1HD ARG 20 HD2 ARG 20 -7.968 -5.491 -18.619 165 2HD ARG 20 HD1 ARG 20 -8.804 -5.969 -17.149 166 HE ARG 20 HE ARG 20 -8.407 -7.570 -19.511 167 1HH1 ARG 20 HH21 ARG 20 -10.800 -6.777 -17.159 168 2HH1 ARG 20 HH22 ARG 20 -11.788 -8.151 -17.519 169 1HH2 ARG 20 HH11 ARG 20 -9.668 -9.367 -19.976 170 2HH2 ARG 20 HH12 ARG 20 -11.144 -9.621 -19.107 171 H GLU 21 HN GLU 21 -10.303 -0.748 -19.488 172 HA GLU 21 HA GLU 21 -11.486 -1.196 -22.199 173 1HB GLU 21 HB2 GLU 21 -12.952 -0.495 -19.642 174 2HB GLU 21 HB1 GLU 21 -13.657 -0.301 -21.248 175 1HG GLU 21 HG2 GLU 21 -13.418 -2.675 -21.699 176 2HG GLU 21 HG1 GLU 21 -12.553 -2.915 -20.180 177 H GLY 22 HN GLY 22 -13.066 1.080 -22.265 178 1HA GLY 22 HA2 GLY 22 -11.210 3.105 -22.959 179 2HA GLY 22 HA1 GLY 22 -12.934 3.374 -22.709 180 H ASP 23 HN ASP 23 -12.760 2.406 -19.872 181 HA ASP 23 HA ASP 23 -12.173 4.970 -18.667 182 1HB ASP 23 HB2 ASP 23 -12.728 2.238 -17.480 183 2HB ASP 23 HB1 ASP 23 -12.512 3.692 -16.504 184 H LYS 24 HN LYS 24 -10.056 5.614 -18.757 185 HA LYS 24 HA LYS 24 -7.914 3.675 -17.989 186 1HB LYS 24 HB2 LYS 24 -7.697 4.898 -20.145 187 2HB LYS 24 HB1 LYS 24 -7.708 6.423 -19.262 188 1HG LYS 24 HG2 LYS 24 -5.673 5.725 -18.038 189 2HG LYS 24 HG1 LYS 24 -5.662 4.204 -18.933 190 1HD LYS 24 HD2 LYS 24 -5.455 5.452 -21.055 191 2HD LYS 24 HD1 LYS 24 -5.457 6.968 -20.159 192 1HE LYS 24 HE2 LYS 24 -3.167 6.561 -20.492 193 2HE LYS 24 HE1 LYS 24 -3.439 5.944 -18.863 194 1HZ LYS 24 HZ3 LYS 24 -3.673 4.209 -21.247 195 2HZ LYS 24 HZ2 LYS 24 -2.182 4.464 -20.472 196 3HZ LYS 24 HZ1 LYS 24 -3.471 3.752 -19.626 197 H HIS 25 HN HIS 25 -9.301 6.826 -17.074 198 HA HIS 25 HA HIS 25 -7.281 7.118 -14.919 199 1HB HIS 25 HB2 HIS 25 -9.489 8.917 -15.933 200 2HB HIS 25 HB1 HIS 25 -8.502 9.302 -14.523 201 HD1 HIS 25 HD1 HIS 25 -5.849 9.452 -14.973 202 HD2 HIS 25 HD2 HIS 25 -8.265 9.504 -18.374 203 HE1 HIS 25 HE1 HIS 25 -4.405 10.321 -16.866 204 HE2 HIS 25 HE2 HIS 25 -5.866 10.361 -18.939 205 H LYS 26 HN LYS 26 -10.211 5.506 -15.153 206 HA LYS 26 HA LYS 26 -10.486 5.580 -12.203 207 1HB LYS 26 HB2 LYS 26 -12.885 6.096 -12.284 208 2HB LYS 26 HB1 LYS 26 -11.941 7.413 -12.981 209 1HG LYS 26 HG2 LYS 26 -12.364 6.444 -15.251 210 2HG LYS 26 HG1 LYS 26 -13.426 5.251 -14.499 211 1HD LYS 26 HD2 LYS 26 -14.793 7.109 -13.554 212 2HD LYS 26 HD1 LYS 26 -13.774 8.261 -14.419 213 1HE LYS 26 HE2 LYS 26 -14.369 7.059 -16.553 214 2HE LYS 26 HE1 LYS 26 -15.537 6.116 -15.627 215 1HZ LYS 26 HZ2 LYS 26 -16.305 8.464 -14.853 216 2HZ LYS 26 HZ1 LYS 26 -15.562 8.973 -16.294 217 3HZ LYS 26 HZ3 LYS 26 -16.826 7.844 -16.348 218 H LEU 27 HN LEU 27 -11.965 3.904 -11.400 219 HA LEU 27 HA LEU 27 -12.166 1.567 -13.281 220 1HB LEU 27 HB2 LEU 27 -11.849 1.579 -10.263 221 2HB LEU 27 HB1 LEU 27 -11.912 0.150 -11.289 222 HG LEU 27 HG LEU 27 -9.804 2.326 -11.466 223 1HD1 LEU 27 HD12 LEU 27 -9.712 0.939 -9.381 224 2HD1 LEU 27 HD11 LEU 27 -9.585 -0.502 -10.389 225 3HD1 LEU 27 HD13 LEU 27 -8.308 0.714 -10.423 226 1HD2 LEU 27 HD21 LEU 27 -10.337 -0.228 -12.988 227 2HD2 LEU 27 HD23 LEU 27 -9.878 1.358 -13.607 228 3HD2 LEU 27 HD22 LEU 27 -8.681 0.351 -12.800 229 H LYS 28 HN LYS 28 -14.185 0.612 -13.470 230 HA LYS 28 HA LYS 28 -16.430 1.934 -12.032 231 1HB LYS 28 HB2 LYS 28 -16.399 0.009 -14.372 232 2HB LYS 28 HB1 LYS 28 -17.863 0.664 -13.647 233 1HG LYS 28 HG2 LYS 28 -16.937 2.972 -14.094 234 2HG LYS 28 HG1 LYS 28 -15.651 2.203 -15.025 235 1HD LYS 28 HD2 LYS 28 -18.627 1.956 -15.575 236 2HD LYS 28 HD1 LYS 28 -17.483 2.924 -16.506 237 1HE LYS 28 HE2 LYS 28 -17.531 0.990 -17.795 238 2HE LYS 28 HE1 LYS 28 -16.197 0.595 -16.710 239 1HZ LYS 28 HZ2 LYS 28 -18.940 -0.062 -15.895 240 2HZ LYS 28 HZ1 LYS 28 -18.171 -1.050 -17.042 241 3HZ LYS 28 HZ3 LYS 28 -17.483 -0.843 -15.506 242 H LYS 29 HN LYS 29 -18.308 0.185 -11.636 243 HA LYS 29 HA LYS 29 -17.482 -1.404 -9.432 244 1HB LYS 29 HB2 LYS 29 -19.818 -0.582 -9.918 245 2HB LYS 29 HB1 LYS 29 -19.953 -1.858 -11.126 246 1HG LYS 29 HG2 LYS 29 -19.318 -3.494 -9.256 247 2HG LYS 29 HG1 LYS 29 -19.591 -2.158 -8.138 248 1HD LYS 29 HD2 LYS 29 -21.631 -3.201 -10.124 249 2HD LYS 29 HD1 LYS 29 -21.614 -3.580 -8.403 250 1HE LYS 29 HE2 LYS 29 -21.670 -1.030 -8.023 251 2HE LYS 29 HE1 LYS 29 -22.114 -0.910 -9.725 252 1HZ LYS 29 HZ2 LYS 29 -23.561 -2.524 -7.695 253 2HZ LYS 29 HZ1 LYS 29 -24.056 -1.003 -8.269 254 3HZ LYS 29 HZ3 LYS 29 -24.000 -2.330 -9.325 255 H SER 30 HN SER 30 -18.041 -2.331 -12.837 256 HA SER 30 HA SER 30 -17.825 -5.140 -12.476 257 1HB SER 30 HB2 SER 30 -17.362 -5.260 -14.854 258 2HB SER 30 HB1 SER 30 -18.573 -4.011 -14.578 259 HG SER 30 HG SER 30 -16.001 -3.821 -15.515 260 H GLU 31 HN GLU 31 -15.279 -2.707 -12.994 261 HA GLU 31 HA GLU 31 -13.146 -4.626 -13.202 262 1HB GLU 31 HB2 GLU 31 -13.148 -1.706 -12.379 263 2HB GLU 31 HB1 GLU 31 -11.678 -2.660 -12.544 264 1HG GLU 31 HG2 GLU 31 -11.806 -1.698 -14.665 265 2HG GLU 31 HG1 GLU 31 -12.659 -3.210 -14.950 266 H LEU 32 HN LEU 32 -14.628 -2.954 -10.465 267 HA LEU 32 HA LEU 32 -12.720 -3.618 -8.496 268 1HB LEU 32 HB2 LEU 32 -14.570 -2.000 -8.173 269 2HB LEU 32 HB1 LEU 32 -15.719 -3.329 -8.170 270 HG LEU 32 HG LEU 32 -14.425 -4.293 -6.183 271 1HD1 LEU 32 HD13 LEU 32 -13.122 -1.570 -6.415 272 2HD1 LEU 32 HD12 LEU 32 -13.171 -2.460 -4.895 273 3HD1 LEU 32 HD11 LEU 32 -12.335 -3.142 -6.285 274 1HD2 LEU 32 HD22 LEU 32 -15.829 -1.618 -6.004 275 2HD2 LEU 32 HD21 LEU 32 -16.542 -3.219 -5.805 276 3HD2 LEU 32 HD23 LEU 32 -15.423 -2.594 -4.593 277 H LYS 33 HN LYS 33 -15.667 -5.486 -9.415 278 HA LYS 33 HA LYS 33 -15.097 -7.539 -7.475 279 1HB LYS 33 HB2 LYS 33 -16.859 -8.821 -8.480 280 2HB LYS 33 HB1 LYS 33 -17.362 -7.135 -8.503 281 1HG LYS 33 HG2 LYS 33 -16.480 -7.005 -10.866 282 2HG LYS 33 HG1 LYS 33 -16.268 -8.755 -10.811 283 1HD LYS 33 HD2 LYS 33 -18.721 -8.906 -10.138 284 2HD LYS 33 HD1 LYS 33 -18.850 -7.196 -10.552 285 1HE LYS 33 HE2 LYS 33 -18.142 -7.656 -12.844 286 2HE LYS 33 HE1 LYS 33 -17.882 -9.355 -12.448 287 1HZ LYS 33 HZ2 LYS 33 -20.508 -8.090 -12.002 288 2HZ LYS 33 HZ1 LYS 33 -20.084 -8.679 -13.537 289 3HZ LYS 33 HZ3 LYS 33 -20.137 -9.735 -12.209 290 H GLU 34 HN GLU 34 -14.186 -7.141 -10.879 291 HA GLU 34 HA GLU 34 -13.199 -9.790 -11.291 292 1HB GLU 34 HB2 GLU 34 -12.668 -7.116 -12.549 293 2HB GLU 34 HB1 GLU 34 -11.583 -8.447 -12.942 294 1HG GLU 34 HG2 GLU 34 -14.592 -8.703 -13.147 295 2HG GLU 34 HG1 GLU 34 -13.597 -8.136 -14.489 296 H LEU 35 HN LEU 35 -11.606 -6.908 -9.938 297 HA LEU 35 HA LEU 35 -8.986 -7.994 -9.787 298 1HB LEU 35 HB2 LEU 35 -9.609 -5.588 -9.359 299 2HB LEU 35 HB1 LEU 35 -10.296 -6.090 -7.817 300 HG LEU 35 HG LEU 35 -7.900 -7.150 -7.418 301 1HD1 LEU 35 HD12 LEU 35 -7.162 -6.600 -9.779 302 2HD1 LEU 35 HD11 LEU 35 -7.219 -4.898 -9.326 303 3HD1 LEU 35 HD13 LEU 35 -6.095 -5.990 -8.518 304 1HD2 LEU 35 HD23 LEU 35 -8.461 -4.169 -7.310 305 2HD2 LEU 35 HD22 LEU 35 -8.799 -5.349 -6.042 306 3HD2 LEU 35 HD21 LEU 35 -7.131 -4.966 -6.470 307 H ILE 36 HN ILE 36 -11.650 -8.086 -7.433 308 HA ILE 36 HA ILE 36 -10.260 -9.459 -5.382 309 HB ILE 36 HB ILE 36 -13.202 -9.412 -6.087 310 1HG1 ILE 36 HG12 ILE 36 -11.643 -7.971 -3.917 311 2HG1 ILE 36 HG11 ILE 36 -12.038 -7.255 -5.478 312 1HG2 ILE 36 HG23 ILE 36 -11.753 -10.515 -3.666 313 2HG2 ILE 36 HG22 ILE 36 -13.464 -10.104 -3.647 314 3HG2 ILE 36 HG21 ILE 36 -12.876 -11.368 -4.724 315 1HD1 ILE 36 HD13 ILE 36 -14.490 -7.860 -4.930 316 2HD1 ILE 36 HD12 ILE 36 -13.925 -8.089 -3.276 317 3HD1 ILE 36 HD11 ILE 36 -13.770 -6.512 -4.048 318 H ASN 37 HN ASN 37 -12.108 -10.780 -8.126 319 HA ASN 37 HA ASN 37 -12.087 -13.481 -7.218 320 1HB ASN 37 HB2 ASN 37 -12.289 -12.370 -10.021 321 2HB ASN 37 HB1 ASN 37 -12.653 -14.036 -9.570 322 1HD2 ASN 37 HD22 ASN 37 -15.593 -11.437 -9.258 323 2HD2 ASN 37 HD21 ASN 37 -14.272 -11.330 -10.319 324 H ASN 38 HN ASN 38 -10.107 -12.216 -9.952 325 HA ASN 38 HA ASN 38 -8.490 -14.638 -9.869 326 1HB ASN 38 HB2 ASN 38 -7.264 -13.602 -11.751 327 2HB ASN 38 HB1 ASN 38 -9.011 -13.620 -11.997 328 1HD2 ASN 38 HD22 ASN 38 -7.692 -10.184 -12.769 329 2HD2 ASN 38 HD21 ASN 38 -7.333 -11.736 -13.354 330 H GLU 39 HN GLU 39 -7.995 -11.456 -8.428 331 HA GLU 39 HA GLU 39 -5.074 -11.975 -8.235 332 1HB GLU 39 HB2 GLU 39 -6.705 -9.651 -7.185 333 2HB GLU 39 HB1 GLU 39 -4.950 -9.765 -7.191 334 1HG GLU 39 HG2 GLU 39 -6.690 -9.856 -9.672 335 2HG GLU 39 HG1 GLU 39 -5.794 -8.441 -9.118 336 H LEU 40 HN LEU 40 -7.707 -12.969 -6.460 337 HA LEU 40 HA LEU 40 -6.254 -12.826 -3.847 338 1HB LEU 40 HB2 LEU 40 -9.109 -13.455 -4.616 339 2HB LEU 40 HB1 LEU 40 -8.484 -13.875 -3.028 340 HG LEU 40 HG LEU 40 -9.717 -11.602 -3.328 341 1HD1 LEU 40 HD11 LEU 40 -7.103 -12.021 -1.893 342 2HD1 LEU 40 HD13 LEU 40 -7.966 -10.491 -1.765 343 3HD1 LEU 40 HD12 LEU 40 -8.736 -11.987 -1.241 344 1HD2 LEU 40 HD23 LEU 40 -8.372 -10.931 -5.352 345 2HD2 LEU 40 HD22 LEU 40 -8.381 -9.730 -4.063 346 3HD2 LEU 40 HD21 LEU 40 -6.969 -10.744 -4.301 347 H SER 41 HN SER 41 -5.020 -14.520 -3.327 348 HA SER 41 HA SER 41 -5.152 -16.988 -4.860 349 1HB SER 41 HB2 SER 41 -3.364 -17.720 -3.212 350 2HB SER 41 HB1 SER 41 -2.982 -16.271 -4.137 351 HG SER 41 HG SER 41 -4.038 -16.395 -1.499 352 H HIS 42 HN HIS 42 -5.425 -16.424 -1.315 353 HA HIS 42 HA HIS 42 -7.610 -18.457 -1.250 354 1HB HIS 42 HB2 HIS 42 -5.092 -18.540 0.435 355 2HB HIS 42 HB1 HIS 42 -6.512 -19.551 0.707 356 HD1 HIS 42 HD1 HIS 42 -3.453 -19.303 -1.326 357 HD2 HIS 42 HD2 HIS 42 -7.075 -21.360 -1.555 358 HE1 HIS 42 HE1 HIS 42 -3.127 -21.144 -3.038 359 HE2 HIS 42 HE2 HIS 42 -5.322 -22.408 -3.177 360 H PHE 43 HN PHE 43 -6.438 -15.457 -0.267 361 HA PHE 43 HA PHE 43 -7.391 -15.271 2.409 362 1HB PHE 43 HB2 PHE 43 -7.043 -13.249 0.193 363 2HB PHE 43 HB1 PHE 43 -7.742 -12.770 1.739 364 HD1 PHE 43 HD1 PHE 43 -6.420 -12.964 3.835 365 HD2 PHE 43 HD2 PHE 43 -4.705 -13.791 -0.014 366 HE1 PHE 43 HE1 PHE 43 -4.147 -12.797 4.813 367 HE2 PHE 43 HE2 PHE 43 -2.433 -13.628 0.963 368 HZ PHE 43 HZ PHE 43 -2.152 -13.128 3.375 369 H LEU 44 HN LEU 44 -9.094 -14.790 -0.695 370 HA LEU 44 HA LEU 44 -11.672 -15.150 0.762 371 1HB LEU 44 HB2 LEU 44 -10.974 -12.849 -1.085 372 2HB LEU 44 HB1 LEU 44 -12.636 -13.287 -0.704 373 HG LEU 44 HG LEU 44 -10.676 -12.783 1.535 374 1HD1 LEU 44 HD13 LEU 44 -12.231 -10.692 -0.011 375 2HD1 LEU 44 HD12 LEU 44 -11.443 -10.406 1.540 376 3HD1 LEU 44 HD11 LEU 44 -10.477 -10.808 0.121 377 1HD2 LEU 44 HD21 LEU 44 -13.006 -13.730 1.928 378 2HD2 LEU 44 HD23 LEU 44 -12.674 -12.220 2.772 379 3HD2 LEU 44 HD22 LEU 44 -13.644 -12.213 1.302 380 H GLU 45 HN GLU 45 -11.230 -14.053 -2.556 381 HA GLU 45 HA GLU 45 -11.767 -15.077 -4.583 382 1HB GLU 45 HB2 GLU 45 -10.022 -16.755 -3.357 383 2HB GLU 45 HB1 GLU 45 -11.410 -17.832 -3.459 384 1HG GLU 45 HG2 GLU 45 -10.209 -16.319 -5.805 385 2HG GLU 45 HG1 GLU 45 -9.922 -18.022 -5.446 386 H GLU 46 HN GLU 46 -13.761 -14.819 -2.261 387 HA GLU 46 HA GLU 46 -15.718 -16.942 -3.004 388 1HB GLU 46 HB2 GLU 46 -15.106 -16.084 -0.557 389 2HB GLU 46 HB1 GLU 46 -16.269 -14.817 -0.936 390 1HG GLU 46 HG2 GLU 46 -17.520 -16.561 0.117 391 2HG GLU 46 HG1 GLU 46 -17.878 -16.692 -1.606 392 H ILE 47 HN ILE 47 -17.794 -14.845 -2.055 393 HA ILE 47 HA ILE 47 -19.310 -13.385 -3.068 394 HB ILE 47 HB ILE 47 -16.847 -12.433 -4.562 395 1HG1 ILE 47 HG12 ILE 47 -18.051 -11.477 -1.945 396 2HG1 ILE 47 HG11 ILE 47 -16.603 -12.474 -2.071 397 1HG2 ILE 47 HG21 ILE 47 -19.481 -11.079 -3.916 398 2HG2 ILE 47 HG23 ILE 47 -18.100 -10.311 -4.698 399 3HG2 ILE 47 HG22 ILE 47 -18.963 -11.609 -5.516 400 1HD1 ILE 47 HD11 ILE 47 -15.731 -10.593 -3.656 401 2HD1 ILE 47 HD13 ILE 47 -17.000 -9.613 -2.922 402 3HD1 ILE 47 HD12 ILE 47 -15.725 -10.300 -1.918 403 H LYS 48 HN LYS 48 -20.784 -14.260 -4.413 404 HA LYS 48 HA LYS 48 -19.970 -14.872 -7.231 405 1HB LYS 48 HB2 LYS 48 -21.451 -16.614 -5.273 406 2HB LYS 48 HB1 LYS 48 -21.865 -16.718 -6.984 407 1HG LYS 48 HG2 LYS 48 -19.487 -17.157 -7.523 408 2HG LYS 48 HG1 LYS 48 -19.094 -17.092 -5.806 409 1HD LYS 48 HD2 LYS 48 -20.207 -19.097 -5.330 410 2HD LYS 48 HD1 LYS 48 -21.250 -18.976 -6.746 411 1HE LYS 48 HE2 LYS 48 -18.275 -19.299 -7.102 412 2HE LYS 48 HE1 LYS 48 -19.286 -20.705 -6.767 413 1HZ LYS 48 HZ3 LYS 48 -20.680 -19.392 -8.674 414 2HZ LYS 48 HZ2 LYS 48 -19.074 -19.130 -9.163 415 3HZ LYS 48 HZ1 LYS 48 -19.653 -20.714 -8.952 416 H GLU 49 HN GLU 49 -22.519 -13.894 -4.973 417 HA GLU 49 HA GLU 49 -24.374 -13.291 -7.187 418 1HB GLU 49 HB2 GLU 49 -24.541 -12.961 -4.183 419 2HB GLU 49 HB1 GLU 49 -25.795 -12.371 -5.273 420 1HG GLU 49 HG2 GLU 49 -26.465 -14.567 -4.552 421 2HG GLU 49 HG1 GLU 49 -25.935 -14.716 -6.227 422 H GLN 50 HN GLN 50 -24.973 -11.223 -7.840 423 HA GLN 50 HA GLN 50 -22.963 -9.166 -7.648 424 1HB GLN 50 HB2 GLN 50 -25.826 -9.070 -8.650 425 2HB GLN 50 HB1 GLN 50 -24.661 -7.761 -8.840 426 1HG GLN 50 HG2 GLN 50 -24.500 -8.935 -10.880 427 2HG GLN 50 HG1 GLN 50 -23.138 -9.551 -9.947 428 1HE2 GLN 50 HE22 GLN 50 -24.305 -12.842 -10.361 429 2HE2 GLN 50 HE21 GLN 50 -22.988 -11.771 -10.320 430 H GLU 51 HN GLU 51 -25.959 -9.813 -5.923 431 HA GLU 51 HA GLU 51 -26.358 -7.257 -4.754 432 1HB GLU 51 HB2 GLU 51 -26.958 -10.040 -3.715 433 2HB GLU 51 HB1 GLU 51 -27.513 -8.565 -2.922 434 1HG GLU 51 HG2 GLU 51 -28.710 -7.896 -4.957 435 2HG GLU 51 HG1 GLU 51 -28.122 -9.335 -5.791 436 H VAL 52 HN VAL 52 -24.326 -9.986 -3.725 437 HA VAL 52 HA VAL 52 -23.534 -8.914 -1.207 438 HB VAL 52 HB VAL 52 -22.113 -10.765 -3.138 439 1HG1 VAL 52 HG12 VAL 52 -21.355 -9.863 -0.353 440 2HG1 VAL 52 HG11 VAL 52 -20.761 -11.368 -1.051 441 3HG1 VAL 52 HG13 VAL 52 -20.363 -9.827 -1.811 442 1HG2 VAL 52 HG21 VAL 52 -24.244 -11.549 -2.106 443 2HG2 VAL 52 HG23 VAL 52 -22.854 -12.495 -1.578 444 3HG2 VAL 52 HG22 VAL 52 -23.544 -11.271 -0.512 445 H VAL 53 HN VAL 53 -22.106 -8.515 -4.456 446 HA VAL 53 HA VAL 53 -19.868 -6.943 -3.582 447 HB VAL 53 HB VAL 53 -21.301 -7.126 -6.245 448 1HG1 VAL 53 HG13 VAL 53 -18.801 -5.623 -5.443 449 2HG1 VAL 53 HG12 VAL 53 -19.118 -6.103 -7.110 450 3HG1 VAL 53 HG11 VAL 53 -20.219 -4.999 -6.287 451 1HG2 VAL 53 HG21 VAL 53 -20.041 -9.124 -5.257 452 2HG2 VAL 53 HG23 VAL 53 -19.532 -8.601 -6.862 453 3HG2 VAL 53 HG22 VAL 53 -18.575 -8.162 -5.448 454 H ASP 54 HN ASP 54 -23.106 -6.034 -4.761 455 HA ASP 54 HA ASP 54 -22.691 -3.224 -4.790 456 1HB ASP 54 HB2 ASP 54 -24.681 -4.318 -5.772 457 2HB ASP 54 HB1 ASP 54 -25.237 -4.748 -4.155 458 H LYS 55 HN LYS 55 -23.820 -5.356 -2.162 459 HA LYS 55 HA LYS 55 -24.217 -3.211 -0.286 460 1HB LYS 55 HB2 LYS 55 -25.159 -5.573 -0.132 461 2HB LYS 55 HB1 LYS 55 -23.554 -6.091 0.371 462 1HG LYS 55 HG2 LYS 55 -24.583 -5.710 2.437 463 2HG LYS 55 HG1 LYS 55 -23.776 -4.169 2.158 464 1HD LYS 55 HD2 LYS 55 -25.844 -3.170 1.352 465 2HD LYS 55 HD1 LYS 55 -26.668 -4.727 1.414 466 1HE LYS 55 HE2 LYS 55 -25.412 -3.522 3.880 467 2HE LYS 55 HE1 LYS 55 -27.050 -3.098 3.382 468 1HZ LYS 55 HZ2 LYS 55 -26.927 -5.834 3.204 469 2HZ LYS 55 HZ1 LYS 55 -26.113 -5.466 4.648 470 3HZ LYS 55 HZ3 LYS 55 -27.705 -4.931 4.415 471 H VAL 56 HN VAL 56 -21.469 -5.367 -0.959 472 HA VAL 56 HA VAL 56 -19.838 -4.368 1.203 473 HB VAL 56 HB VAL 56 -19.166 -5.857 -1.347 474 1HG1 VAL 56 HG12 VAL 56 -17.395 -4.925 0.921 475 2HG1 VAL 56 HG11 VAL 56 -16.963 -6.298 -0.098 476 3HG1 VAL 56 HG13 VAL 56 -17.156 -4.696 -0.811 477 1HG2 VAL 56 HG21 VAL 56 -20.505 -6.944 0.548 478 2HG2 VAL 56 HG23 VAL 56 -19.022 -7.773 0.073 479 3HG2 VAL 56 HG22 VAL 56 -19.050 -6.782 1.532 480 H MET 57 HN MET 57 -19.891 -3.638 -2.301 481 HA MET 57 HA MET 57 -17.783 -1.734 -2.245 482 1HB MET 57 HB2 MET 57 -18.970 -2.771 -4.283 483 2HB MET 57 HB1 MET 57 -20.198 -1.529 -4.058 484 1HG MET 57 HG2 MET 57 -17.272 -0.793 -4.256 485 2HG MET 57 HG1 MET 57 -18.251 -1.035 -5.699 486 1HE MET 57 HE3 MET 57 -19.197 0.771 -6.849 487 2HE MET 57 HE2 MET 57 -19.143 2.441 -6.289 488 3HE MET 57 HE1 MET 57 -17.657 1.501 -6.379 489 H GLU 58 HN GLU 58 -21.270 -1.340 -1.689 490 HA GLU 58 HA GLU 58 -21.263 1.510 -1.510 491 1HB GLU 58 HB2 GLU 58 -23.337 0.184 -1.700 492 2HB GLU 58 HB1 GLU 58 -23.055 -0.485 -0.093 493 1HG GLU 58 HG2 GLU 58 -23.256 1.710 0.922 494 2HG GLU 58 HG1 GLU 58 -23.358 2.477 -0.664 495 H THR 59 HN THR 59 -20.717 -1.002 0.936 496 HA THR 59 HA THR 59 -20.556 0.829 3.154 497 HB THR 59 HB THR 59 -19.394 -1.952 2.839 498 HG1 THR 59 HG1 THR 59 -21.901 -0.926 3.349 499 1HG2 THR 59 HG23 THR 59 -19.770 -0.119 5.209 500 2HG2 THR 59 HG22 THR 59 -19.673 -1.869 5.400 501 3HG2 THR 59 HG21 THR 59 -18.315 -0.982 4.711 502 H LEU 60 HN LEU 60 -18.084 -0.594 1.011 503 HA LEU 60 HA LEU 60 -15.838 0.410 2.461 504 1HB LEU 60 HB2 LEU 60 -15.614 -1.329 0.727 505 2HB LEU 60 HB1 LEU 60 -16.075 -0.162 -0.509 506 HG LEU 60 HG LEU 60 -14.086 1.212 0.049 507 1HD1 LEU 60 HD11 LEU 60 -13.749 -0.914 2.156 508 2HD1 LEU 60 HD13 LEU 60 -12.325 -0.107 1.496 509 3HD1 LEU 60 HD12 LEU 60 -13.575 0.835 2.302 510 1HD2 LEU 60 HD22 LEU 60 -13.539 -1.710 -0.537 511 2HD2 LEU 60 HD21 LEU 60 -13.846 -0.434 -1.718 512 3HD2 LEU 60 HD23 LEU 60 -12.365 -0.412 -0.759 513 H ASP 61 HN ASP 61 -17.774 1.856 -0.155 514 HA ASP 61 HA ASP 61 -16.056 4.182 -0.357 515 1HB ASP 61 HB2 ASP 61 -18.832 3.528 -1.349 516 2HB ASP 61 HB1 ASP 61 -18.159 5.148 -1.540 517 H GLU 62 HN GLU 62 -15.802 5.238 1.573 518 HA GLU 62 HA GLU 62 -17.860 5.647 3.512 519 1HB GLU 62 HB2 GLU 62 -15.370 5.856 3.896 520 2HB GLU 62 HB1 GLU 62 -15.435 7.399 3.046 521 1HG GLU 62 HG2 GLU 62 -15.603 7.868 5.406 522 2HG GLU 62 HG1 GLU 62 -17.195 8.140 4.696 523 H ASP 63 HN ASP 63 -16.710 7.646 0.800 524 HA ASP 63 HA ASP 63 -18.637 9.779 1.451 525 1HB ASP 63 HB2 ASP 63 -17.697 10.907 -0.522 526 2HB ASP 63 HB1 ASP 63 -16.406 10.336 0.535 527 H GLY 64 HN GLY 64 -18.794 6.826 -0.141 528 1HA GLY 64 HA2 GLY 64 -20.376 5.896 -1.608 529 2HA GLY 64 HA1 GLY 64 -21.464 7.142 -0.998 530 H ASP 65 HN ASP 65 -18.453 7.496 -2.899 531 HA ASP 65 HA ASP 65 -19.722 9.452 -4.625 532 1HB ASP 65 HB2 ASP 65 -17.605 9.488 -5.825 533 2HB ASP 65 HB1 ASP 65 -17.271 9.443 -4.095 534 H GLY 66 HN GLY 66 -19.792 6.082 -4.529 535 1HA GLY 66 HA2 GLY 66 -20.876 4.573 -5.971 536 2HA GLY 66 HA1 GLY 66 -21.305 5.940 -6.996 537 H GLU 67 HN GLU 67 -17.995 6.005 -6.450 538 HA GLU 67 HA GLU 67 -17.321 4.139 -8.648 539 1HB GLU 67 HB2 GLU 67 -16.302 5.842 -10.032 540 2HB GLU 67 HB1 GLU 67 -17.961 6.338 -9.702 541 1HG GLU 67 HG2 GLU 67 -17.055 7.706 -7.764 542 2HG GLU 67 HG1 GLU 67 -15.437 7.369 -8.383 543 H CYS 68 HN CYS 68 -14.972 3.854 -8.847 544 HA CYS 68 HA CYS 68 -13.563 4.435 -6.267 545 1HB CYS 68 HB2 CYS 68 -12.987 2.351 -8.393 546 2HB CYS 68 HB1 CYS 68 -12.100 2.549 -6.883 547 HG CYS 68 HG CYS 68 -14.399 1.986 -5.624 548 H ASP 69 HN ASP 69 -12.326 6.223 -6.472 549 HA ASP 69 HA ASP 69 -11.137 6.944 -9.082 550 1HB ASP 69 HB2 ASP 69 -12.214 8.599 -7.417 551 2HB ASP 69 HB1 ASP 69 -10.749 8.399 -6.457 552 H PHE 70 HN PHE 70 -8.746 7.863 -8.755 553 HA PHE 70 HA PHE 70 -7.069 5.617 -8.305 554 1HB PHE 70 HB2 PHE 70 -6.418 7.534 -9.713 555 2HB PHE 70 HB1 PHE 70 -6.354 8.568 -8.285 556 HD1 PHE 70 HD1 PHE 70 -4.760 5.757 -10.065 557 HD2 PHE 70 HD2 PHE 70 -4.539 8.387 -6.676 558 HE1 PHE 70 HE1 PHE 70 -2.421 5.039 -9.659 559 HE2 PHE 70 HE2 PHE 70 -2.201 7.667 -6.270 560 HZ PHE 70 HZ PHE 70 -1.142 5.992 -7.761 561 H GLN 71 HN GLN 71 -7.740 8.442 -6.207 562 HA GLN 71 HA GLN 71 -6.036 7.609 -4.063 563 1HB GLN 71 HB2 GLN 71 -7.014 9.886 -4.199 564 2HB GLN 71 HB1 GLN 71 -8.617 9.205 -3.916 565 1HG GLN 71 HG2 GLN 71 -7.886 8.353 -1.724 566 2HG GLN 71 HG1 GLN 71 -6.267 8.993 -2.006 567 1HE2 GLN 71 HE22 GLN 71 -7.311 11.950 -0.387 568 2HE2 GLN 71 HE21 GLN 71 -6.222 10.650 -0.413 569 H GLU 72 HN GLU 72 -9.416 6.906 -4.847 570 HA GLU 72 HA GLU 72 -10.108 5.463 -2.496 571 1HB GLU 72 HB2 GLU 72 -11.063 5.197 -5.352 572 2HB GLU 72 HB1 GLU 72 -11.792 4.326 -4.007 573 1HG GLU 72 HG2 GLU 72 -11.492 7.339 -4.057 574 2HG GLU 72 HG1 GLU 72 -12.942 6.503 -4.613 575 H PHE 73 HN PHE 73 -8.473 4.421 -5.468 576 HA PHE 73 HA PHE 73 -8.550 1.621 -4.994 577 1HB PHE 73 HB2 PHE 73 -7.793 2.621 -7.125 578 2HB PHE 73 HB1 PHE 73 -6.361 3.258 -6.316 579 HD1 PHE 73 HD2 PHE 73 -4.561 1.781 -5.575 580 HD2 PHE 73 HD1 PHE 73 -8.038 0.226 -7.559 581 HE1 PHE 73 HE2 PHE 73 -3.393 -0.378 -5.925 582 HE2 PHE 73 HE1 PHE 73 -6.869 -1.935 -7.908 583 HZ PHE 73 HZ PHE 73 -4.546 -2.234 -7.093 584 H MET 74 HN MET 74 -6.167 4.064 -3.963 585 HA MET 74 HA MET 74 -4.390 2.274 -2.632 586 1HB MET 74 HB2 MET 74 -3.951 4.712 -3.127 587 2HB MET 74 HB1 MET 74 -5.066 5.122 -1.825 588 1HG MET 74 HG2 MET 74 -2.917 5.185 -0.820 589 2HG MET 74 HG1 MET 74 -3.593 3.635 -0.324 590 1HE MET 74 HE3 MET 74 -1.076 3.429 0.335 591 2HE MET 74 HE2 MET 74 -1.787 1.867 -0.060 592 3HE MET 74 HE1 MET 74 -0.164 2.256 -0.625 593 H ALA 75 HN ALA 75 -7.323 3.950 -1.575 594 HA ALA 75 HA ALA 75 -7.243 3.211 1.171 595 1HB ALA 75 HB1 ALA 75 -8.796 4.897 0.057 596 2HB ALA 75 HB3 ALA 75 -9.764 3.519 -0.468 597 3HB ALA 75 HB2 ALA 75 -9.546 3.839 1.253 598 H PHE 76 HN PHE 76 -8.474 1.472 -1.668 599 HA PHE 76 HA PHE 76 -9.879 -0.577 -0.291 600 1HB PHE 76 HB2 PHE 76 -9.887 -0.163 -2.789 601 2HB PHE 76 HB1 PHE 76 -8.297 -0.922 -2.854 602 HD1 PHE 76 HD2 PHE 76 -8.051 -3.316 -1.978 603 HD2 PHE 76 HD1 PHE 76 -11.858 -1.482 -2.741 604 HE1 PHE 76 HE2 PHE 76 -9.122 -5.551 -2.020 605 HE2 PHE 76 HE1 PHE 76 -12.929 -3.715 -2.778 606 HZ PHE 76 HZ PHE 76 -11.564 -5.751 -2.419 607 H VAL 77 HN VAL 77 -6.479 -0.533 -1.417 608 HA VAL 77 HA VAL 77 -5.793 -3.089 -0.349 609 HB VAL 77 HB VAL 77 -4.064 -0.641 -0.805 610 1HG1 VAL 77 HG13 VAL 77 -3.402 -3.536 -0.237 611 2HG1 VAL 77 HG12 VAL 77 -2.247 -2.421 -0.969 612 3HG1 VAL 77 HG11 VAL 77 -2.868 -2.110 0.652 613 1HG2 VAL 77 HG21 VAL 77 -4.690 -3.065 -2.520 614 2HG2 VAL 77 HG23 VAL 77 -5.176 -1.399 -2.844 615 3HG2 VAL 77 HG22 VAL 77 -3.471 -1.851 -2.909 616 H SER 78 HN SER 78 -5.651 0.169 1.081 617 HA SER 78 HA SER 78 -4.313 -0.585 3.485 618 1HB SER 78 HB2 SER 78 -5.019 1.547 4.355 619 2HB SER 78 HB1 SER 78 -4.652 1.763 2.646 620 HG SER 78 HG SER 78 -6.731 2.628 3.527 621 H MET 79 HN MET 79 -7.792 -0.478 2.698 622 HA MET 79 HA MET 79 -8.745 -0.981 5.331 623 1HB MET 79 HB2 MET 79 -10.158 -0.343 3.342 624 2HB MET 79 HB1 MET 79 -9.982 -1.995 2.755 625 1HG MET 79 HG2 MET 79 -12.037 -2.001 3.934 626 2HG MET 79 HG1 MET 79 -10.892 -2.722 5.061 627 1HE MET 79 HE3 MET 79 -13.784 -0.881 5.006 628 2HE MET 79 HE2 MET 79 -13.392 -1.871 6.409 629 3HE MET 79 HE1 MET 79 -13.734 -0.155 6.619 630 H VAL 80 HN VAL 80 -7.799 -3.245 2.748 631 HA VAL 80 HA VAL 80 -8.428 -5.605 4.284 632 HB VAL 80 HB VAL 80 -6.620 -5.158 1.894 633 1HG1 VAL 80 HG12 VAL 80 -7.439 -7.698 3.323 634 2HG1 VAL 80 HG11 VAL 80 -6.866 -7.687 1.655 635 3HG1 VAL 80 HG13 VAL 80 -5.806 -7.143 2.954 636 1HG2 VAL 80 HG21 VAL 80 -9.444 -6.201 2.255 637 2HG2 VAL 80 HG23 VAL 80 -8.935 -4.766 1.363 638 3HG2 VAL 80 HG22 VAL 80 -8.534 -6.371 0.753 639 H THR 81 HN THR 81 -5.450 -3.719 3.791 640 HA THR 81 HA THR 81 -3.740 -5.528 5.229 641 HB THR 81 HB THR 81 -3.447 -2.542 4.788 642 HG1 THR 81 HG1 THR 81 -2.400 -4.764 3.371 643 1HG2 THR 81 HG23 THR 81 -1.511 -4.699 5.658 644 2HG2 THR 81 HG22 THR 81 -0.993 -3.124 5.058 645 3HG2 THR 81 HG21 THR 81 -1.949 -3.234 6.536 646 H THR 82 HN THR 82 -5.633 -2.681 6.254 647 HA THR 82 HA THR 82 -4.617 -2.628 8.941 648 HB THR 82 HB THR 82 -6.738 -1.346 9.424 649 HG1 THR 82 HG1 THR 82 -7.796 -0.833 7.267 650 1HG2 THR 82 HG21 THR 82 -4.965 -0.637 7.088 651 2HG2 THR 82 HG23 THR 82 -6.208 0.469 7.671 652 3HG2 THR 82 HG22 THR 82 -4.896 -0.027 8.741 653 H ALA 83 HN ALA 83 -7.365 -4.278 7.429 654 HA ALA 83 HA ALA 83 -8.496 -5.353 9.821 655 1HB ALA 83 HB1 ALA 83 -8.493 -6.433 6.986 656 2HB ALA 83 HB3 ALA 83 -9.508 -7.054 8.290 657 3HB ALA 83 HB2 ALA 83 -9.724 -5.400 7.714 658 H CYS 84 HN CYS 84 -5.948 -6.536 7.650 659 HA CYS 84 HA CYS 84 -5.595 -9.024 9.126 660 1HB CYS 84 HB2 CYS 84 -4.978 -8.995 6.790 661 2HB CYS 84 HB1 CYS 84 -3.906 -7.616 7.040 662 HG CYS 84 HG CYS 84 -2.766 -10.179 7.114 663 H HIS 85 HN HIS 85 -4.358 -9.320 10.906 664 HA HIS 85 HA HIS 85 -2.577 -7.076 11.810 665 1HB HIS 85 HB2 HIS 85 -3.857 -9.232 13.512 666 2HB HIS 85 HB1 HIS 85 -3.022 -7.783 14.072 667 HD1 HIS 85 HD1 HIS 85 -6.242 -8.814 14.179 668 HD2 HIS 85 HD2 HIS 85 -4.557 -5.508 12.271 669 HE1 HIS 85 HE1 HIS 85 -8.118 -7.141 13.854 670 HE2 HIS 85 HE2 HIS 85 -7.104 -5.129 12.687 671 H GLU 86 HN GLU 86 -0.807 -8.018 13.364 672 HA GLU 86 HA GLU 86 1.005 -9.597 11.920 673 1HB GLU 86 HB2 GLU 86 1.481 -8.272 14.033 674 2HB GLU 86 HB1 GLU 86 0.753 -9.593 14.945 675 1HG GLU 86 HG2 GLU 86 3.127 -9.974 14.938 676 2HG GLU 86 HG1 GLU 86 2.417 -11.148 13.833 677 H PHE 87 HN PHE 87 -1.831 -10.528 13.627 678 HA PHE 87 HA PHE 87 -1.428 -13.166 14.412 679 1HB PHE 87 HB2 PHE 87 -3.577 -11.886 14.580 680 2HB PHE 87 HB1 PHE 87 -3.825 -12.152 12.855 681 HD1 PHE 87 HD2 PHE 87 -4.226 -14.422 11.970 682 HD2 PHE 87 HD1 PHE 87 -3.849 -13.683 16.185 683 HE1 PHE 87 HE2 PHE 87 -5.205 -16.650 12.448 684 HE2 PHE 87 HE1 PHE 87 -4.824 -15.912 16.662 685 HZ PHE 87 HZ PHE 87 -5.504 -17.395 14.794 686 H PHE 88 HN PHE 88 -1.023 -11.897 11.277 687 HA PHE 88 HA PHE 88 -1.704 -14.294 9.788 688 1HB PHE 88 HB2 PHE 88 -1.769 -12.122 8.695 689 2HB PHE 88 HB1 PHE 88 -0.060 -11.862 9.041 690 HD1 PHE 88 HD1 PHE 88 -2.485 -13.727 6.987 691 HD2 PHE 88 HD2 PHE 88 1.677 -13.073 7.825 692 HE1 PHE 88 HE1 PHE 88 -1.876 -14.894 4.885 693 HE2 PHE 88 HE2 PHE 88 2.284 -14.240 5.723 694 HZ PHE 88 HZ PHE 88 0.507 -15.151 4.254 695 H GLU 89 HN GLU 89 0.926 -13.525 11.797 696 HA GLU 89 HA GLU 89 3.079 -14.761 10.371 697 1HB GLU 89 HB2 GLU 89 3.380 -13.415 12.449 698 2HB GLU 89 HB1 GLU 89 2.592 -14.693 13.371 699 1HG GLU 89 HG2 GLU 89 5.000 -14.953 13.578 700 2HG GLU 89 HG1 GLU 89 4.378 -16.279 12.600 701 H HIS 90 HN HIS 90 3.186 -16.856 9.712 702 HA HIS 90 HA HIS 90 1.551 -18.911 11.169 703 1HB HIS 90 HB2 HIS 90 1.092 -18.426 8.704 704 2HB HIS 90 HB1 HIS 90 2.672 -19.128 8.366 705 HD1 HIS 90 HD1 HIS 90 -0.386 -20.141 10.436 706 HD2 HIS 90 HD2 HIS 90 2.431 -21.825 7.860 707 HE1 HIS 90 HE1 HIS 90 -0.991 -22.592 10.215 708 HE2 HIS 90 HE2 HIS 90 0.715 -23.626 8.647 709 H GLU 91 HN GLU 91 4.345 -19.251 8.987 710 HA GLU 91 HA GLU 91 6.319 -20.485 9.253 711 1HB GLU 91 HB2 GLU 91 6.725 -18.615 10.884 712 2HB GLU 91 HB1 GLU 91 6.061 -19.644 12.154 713 1HG GLU 91 HG2 GLU 91 7.788 -21.332 11.724 714 2HG GLU 91 HG1 GLU 91 8.438 -20.352 10.410 715 1H MET 0 HT3 MET 0 3.136 -16.508 -9.060 716 2H MET 0 HT2 MET 0 3.209 -18.007 -8.263 717 3H MET 0 HT1 MET 0 2.869 -17.942 -9.926 718 HA MET 0 HA MET 0 0.744 -18.092 -9.321 719 1HB MET 0 HB2 MET 0 1.881 -18.300 -6.862 720 2HB MET 0 HB1 MET 0 1.029 -16.779 -6.638 721 1HG MET 0 HG2 MET 0 -0.132 -19.476 -7.371 722 2HG MET 0 HG1 MET 0 -0.493 -18.488 -5.957 723 1HE MET 0 HE1 MET 0 -2.699 -19.676 -7.258 724 2HE MET 0 HE3 MET 0 -3.107 -18.327 -6.188 725 3HE MET 0 HE2 MET 0 -3.848 -18.448 -7.782 726 H SER 1 HN SER 1 -0.375 -15.862 -7.441 727 HA SER 1 HA SER 1 -0.761 -13.924 -9.590 728 1HB SER 1 HB2 SER 1 -1.583 -13.741 -6.679 729 2HB SER 1 HB1 SER 1 -2.200 -12.755 -8.000 730 HG SER 1 HG SER 1 -3.461 -14.342 -8.559 731 H GLU 2 HN GLU 2 0.552 -12.214 -9.972 732 HA GLU 2 HA GLU 2 2.870 -11.700 -8.361 733 1HB GLU 2 HB2 GLU 2 3.218 -9.772 -9.851 734 2HB GLU 2 HB1 GLU 2 2.792 -11.212 -10.775 735 1HG GLU 2 HG2 GLU 2 0.388 -10.416 -10.717 736 2HG GLU 2 HG1 GLU 2 0.981 -8.899 -10.041 737 H LEU 3 HN LEU 3 -0.293 -10.072 -8.586 738 HA LEU 3 HA LEU 3 0.361 -7.814 -6.985 739 1HB LEU 3 HB2 LEU 3 -1.768 -8.050 -8.271 740 2HB LEU 3 HB1 LEU 3 -2.290 -9.293 -7.143 741 HG LEU 3 HG LEU 3 -2.009 -7.554 -5.282 742 1HD1 LEU 3 HD11 LEU 3 -1.649 -5.810 -7.723 743 2HD1 LEU 3 HD13 LEU 3 -2.269 -5.160 -6.208 744 3HD1 LEU 3 HD12 LEU 3 -0.661 -5.872 -6.264 745 1HD2 LEU 3 HD23 LEU 3 -4.077 -7.393 -7.471 746 2HD2 LEU 3 HD22 LEU 3 -4.235 -8.031 -5.834 747 3HD2 LEU 3 HD21 LEU 3 -4.155 -6.292 -6.092 748 H GLU 4 HN GLU 4 -0.886 -11.034 -6.065 749 HA GLU 4 HA GLU 4 -1.118 -10.535 -3.277 750 1HB GLU 4 HB2 GLU 4 -0.444 -13.102 -4.744 751 2HB GLU 4 HB1 GLU 4 -0.914 -13.016 -3.047 752 1HG GLU 4 HG2 GLU 4 -2.613 -11.966 -5.326 753 2HG GLU 4 HG1 GLU 4 -2.824 -13.555 -4.589 754 H LYS 5 HN LYS 5 1.656 -11.629 -5.209 755 HA LYS 5 HA LYS 5 3.398 -12.152 -3.014 756 1HB LYS 5 HB2 LYS 5 3.792 -12.796 -5.427 757 2HB LYS 5 HB1 LYS 5 4.230 -11.114 -5.733 758 1HG LYS 5 HG2 LYS 5 6.022 -11.250 -4.068 759 2HG LYS 5 HG1 LYS 5 5.565 -12.910 -3.685 760 1HD LYS 5 HD2 LYS 5 5.988 -13.494 -6.107 761 2HD LYS 5 HD1 LYS 5 6.655 -11.874 -6.314 762 1HE LYS 5 HE2 LYS 5 7.665 -14.000 -4.401 763 2HE LYS 5 HE1 LYS 5 8.473 -13.439 -5.865 764 1HZ LYS 5 HZ1 LYS 5 7.782 -11.667 -3.591 765 2HZ LYS 5 HZ3 LYS 5 9.295 -12.414 -3.771 766 3HZ LYS 5 HZ2 LYS 5 8.758 -11.294 -4.930 767 H ALA 6 HN ALA 6 2.735 -9.161 -4.821 768 HA ALA 6 HA ALA 6 4.748 -7.604 -3.455 769 1HB ALA 6 HB3 ALA 6 2.348 -6.968 -5.154 770 2HB ALA 6 HB2 ALA 6 3.154 -5.667 -4.276 771 3HB ALA 6 HB1 ALA 6 4.048 -6.620 -5.459 772 H MET 7 HN MET 7 1.285 -8.180 -2.893 773 HA MET 7 HA MET 7 1.055 -6.316 -0.718 774 1HB MET 7 HB2 MET 7 -0.771 -7.633 -2.147 775 2HB MET 7 HB1 MET 7 -0.636 -8.808 -0.843 776 1HG MET 7 HG2 MET 7 -1.215 -7.115 0.809 777 2HG MET 7 HG1 MET 7 -1.197 -5.855 -0.425 778 1HE MET 7 HE3 MET 7 -2.651 -9.175 0.711 779 2HE MET 7 HE2 MET 7 -3.481 -7.932 1.643 780 3HE MET 7 HE1 MET 7 -4.393 -8.935 0.519 781 H VAL 8 HN VAL 8 1.854 -9.763 -0.900 782 HA VAL 8 HA VAL 8 1.991 -10.202 1.944 783 HB VAL 8 HB VAL 8 3.250 -11.653 -0.403 784 1HG1 VAL 8 HG12 VAL 8 3.312 -12.258 2.562 785 2HG1 VAL 8 HG11 VAL 8 3.561 -13.504 1.340 786 3HG1 VAL 8 HG13 VAL 8 4.678 -12.144 1.451 787 1HG2 VAL 8 HG22 VAL 8 0.750 -11.706 -0.129 788 2HG2 VAL 8 HG21 VAL 8 1.507 -13.292 0.010 789 3HG2 VAL 8 HG23 VAL 8 0.987 -12.432 1.459 790 H ALA 9 HN ALA 9 4.377 -9.245 -0.506 791 HA ALA 9 HA ALA 9 6.702 -9.413 1.085 792 1HB ALA 9 HB1 ALA 9 6.667 -8.935 -1.369 793 2HB ALA 9 HB3 ALA 9 6.100 -7.304 -1.010 794 3HB ALA 9 HB2 ALA 9 7.697 -7.822 -0.471 795 H LEU 10 HN LEU 10 4.323 -6.765 0.838 796 HA LEU 10 HA LEU 10 5.757 -4.904 2.458 797 1HB LEU 10 HB2 LEU 10 2.767 -5.325 2.139 798 2HB LEU 10 HB1 LEU 10 3.489 -3.930 2.937 799 HG LEU 10 HG LEU 10 4.092 -4.741 0.076 800 1HD1 LEU 10 HD11 LEU 10 1.697 -4.064 0.468 801 2HD1 LEU 10 HD13 LEU 10 2.290 -2.504 1.040 802 3HD1 LEU 10 HD12 LEU 10 2.576 -2.998 -0.628 803 1HD2 LEU 10 HD22 LEU 10 4.895 -2.438 1.853 804 2HD2 LEU 10 HD21 LEU 10 5.886 -3.386 0.745 805 3HD2 LEU 10 HD23 LEU 10 4.766 -2.183 0.114 806 H ILE 11 HN ILE 11 3.467 -7.489 3.302 807 HA ILE 11 HA ILE 11 3.620 -6.979 6.154 808 HB ILE 11 HB ILE 11 2.735 -9.448 4.635 809 1HG1 ILE 11 HG12 ILE 11 1.068 -7.260 5.907 810 2HG1 ILE 11 HG11 ILE 11 1.484 -7.288 4.193 811 1HG2 ILE 11 HG21 ILE 11 2.538 -8.623 7.536 812 2HG2 ILE 11 HG23 ILE 11 1.461 -9.827 6.830 813 3HG2 ILE 11 HG22 ILE 11 3.198 -10.118 6.872 814 1HD1 ILE 11 HD13 ILE 11 0.090 -9.574 5.609 815 2HD1 ILE 11 HD12 ILE 11 -0.766 -8.304 4.734 816 3HD1 ILE 11 HD11 ILE 11 0.332 -9.382 3.872 817 H ASP 12 HN ASP 12 5.183 -9.303 3.950 818 HA ASP 12 HA ASP 12 6.624 -10.683 6.028 819 1HB ASP 12 HB2 ASP 12 6.147 -11.538 3.685 820 2HB ASP 12 HB1 ASP 12 7.424 -10.462 3.118 821 H VAL 13 HN VAL 13 7.475 -7.988 3.867 822 HA VAL 13 HA VAL 13 10.216 -7.808 4.685 823 HB VAL 13 HB VAL 13 8.311 -5.758 3.524 824 1HG1 VAL 13 HG12 VAL 13 11.251 -5.558 4.211 825 2HG1 VAL 13 HG11 VAL 13 10.502 -4.529 2.991 826 3HG1 VAL 13 HG13 VAL 13 9.954 -4.455 4.666 827 1HG2 VAL 13 HG23 VAL 13 9.105 -7.824 2.201 828 2HG2 VAL 13 HG22 VAL 13 9.369 -6.251 1.452 829 3HG2 VAL 13 HG21 VAL 13 10.706 -7.088 2.240 830 H PHE 14 HN PHE 14 7.247 -6.294 5.924 831 HA PHE 14 HA PHE 14 8.469 -4.506 7.763 832 1HB PHE 14 HB2 PHE 14 6.051 -4.501 7.174 833 2HB PHE 14 HB1 PHE 14 5.847 -6.000 8.076 834 HD1 PHE 14 HD2 PHE 14 6.197 -6.030 10.553 835 HD2 PHE 14 HD1 PHE 14 6.251 -2.381 8.285 836 HE1 PHE 14 HE2 PHE 14 5.892 -4.725 12.640 837 HE2 PHE 14 HE1 PHE 14 5.944 -1.078 10.376 838 HZ PHE 14 HZ PHE 14 5.764 -2.249 12.552 839 H HIS 15 HN HIS 15 7.444 -7.905 8.194 840 HA HIS 15 HA HIS 15 8.138 -8.101 10.955 841 1HB HIS 15 HB2 HIS 15 8.295 -10.295 8.865 842 2HB HIS 15 HB1 HIS 15 8.135 -10.514 10.607 843 HD1 HIS 15 HD1 HIS 15 6.067 -7.830 10.408 844 HD2 HIS 15 HD2 HIS 15 5.655 -11.658 8.803 845 HE1 HIS 15 HE1 HIS 15 3.592 -8.162 9.969 846 HE2 HIS 15 HE2 HIS 15 3.330 -10.491 9.000 847 H GLN 16 HN GLN 16 10.038 -8.918 8.034 848 HA GLN 16 HA GLN 16 12.416 -9.597 9.522 849 1HB GLN 16 HB2 GLN 16 11.931 -10.355 7.181 850 2HB GLN 16 HB1 GLN 16 12.207 -8.704 6.630 851 1HG GLN 16 HG2 GLN 16 14.271 -9.878 6.306 852 2HG GLN 16 HG1 GLN 16 14.509 -8.852 7.719 853 1HE2 GLN 16 HE22 GLN 16 14.637 -12.895 8.116 854 2HE2 GLN 16 HE21 GLN 16 14.300 -12.174 6.617 855 H TYR 17 HN TYR 17 11.327 -6.627 7.887 856 HA TYR 17 HA TYR 17 13.781 -5.198 8.390 857 1HB TYR 17 HB2 TYR 17 11.840 -4.664 6.706 858 2HB TYR 17 HB1 TYR 17 11.115 -3.818 8.071 859 HD1 TYR 17 HD2 TYR 17 12.389 -1.940 9.186 860 HD2 TYR 17 HD1 TYR 17 13.710 -3.771 5.531 861 HE1 TYR 17 HE2 TYR 17 13.881 -0.005 8.752 862 HE2 TYR 17 HE1 TYR 17 15.200 -1.837 5.098 863 HH TYR 17 HH TYR 17 15.988 0.082 5.875 864 H SER 18 HN SER 18 10.692 -5.451 10.125 865 HA SER 18 HA SER 18 11.402 -3.512 12.150 866 1HB SER 18 HB2 SER 18 9.424 -4.232 13.290 867 2HB SER 18 HB1 SER 18 9.054 -4.293 11.569 868 HG SER 18 HG SER 18 8.402 -6.209 12.541 869 H GLY 19 HN GLY 19 11.719 -7.030 11.882 870 1HA GLY 19 HA2 GLY 19 12.544 -7.474 14.601 871 2HA GLY 19 HA1 GLY 19 12.813 -8.583 13.259 872 H ARG 20 HN ARG 20 14.013 -5.420 12.727 873 HA ARG 20 HA ARG 20 16.700 -6.293 12.418 874 1HB ARG 20 HB2 ARG 20 15.481 -4.101 11.609 875 2HB ARG 20 HB1 ARG 20 16.026 -3.441 13.143 876 1HG ARG 20 HG2 ARG 20 17.824 -2.886 11.778 877 2HG ARG 20 HG1 ARG 20 18.368 -4.444 12.391 878 1HD ARG 20 HD2 ARG 20 17.244 -5.477 10.330 879 2HD ARG 20 HD1 ARG 20 17.099 -3.843 9.700 880 HE ARG 20 HE ARG 20 19.449 -5.503 9.662 881 1HH1 ARG 20 HH21 ARG 20 18.458 -2.255 10.266 882 2HH1 ARG 20 HH22 ARG 20 20.053 -1.606 10.105 883 1HH2 ARG 20 HH11 ARG 20 21.518 -4.671 9.423 884 2HH2 ARG 20 HH12 ARG 20 21.782 -2.970 9.615 885 H GLU 21 HN GLU 21 15.026 -4.782 15.160 886 HA GLU 21 HA GLU 21 17.290 -5.620 16.928 887 1HB GLU 21 HB2 GLU 21 15.903 -2.928 16.858 888 2HB GLU 21 HB1 GLU 21 16.905 -3.470 18.204 889 1HG GLU 21 HG2 GLU 21 18.838 -3.687 16.751 890 2HG GLU 21 HG1 GLU 21 17.859 -3.321 15.330 891 H GLY 22 HN GLY 22 16.199 -4.705 19.316 892 1HA GLY 22 HA2 GLY 22 14.386 -6.778 19.997 893 2HA GLY 22 HA1 GLY 22 14.687 -5.348 20.982 894 H ASP 23 HN ASP 23 13.789 -3.534 18.761 895 HA ASP 23 HA ASP 23 10.991 -3.460 19.496 896 1HB ASP 23 HB2 ASP 23 12.588 -1.974 17.393 897 2HB ASP 23 HB1 ASP 23 10.882 -1.658 17.714 898 H LYS 24 HN LYS 24 9.764 -5.158 18.801 899 HA LYS 24 HA LYS 24 10.007 -6.068 15.964 900 1HB LYS 24 HB2 LYS 24 10.205 -7.765 17.764 901 2HB LYS 24 HB1 LYS 24 8.586 -7.346 18.319 902 1HG LYS 24 HG2 LYS 24 7.664 -8.000 16.115 903 2HG LYS 24 HG1 LYS 24 9.288 -8.423 15.570 904 1HD LYS 24 HD2 LYS 24 9.458 -10.105 17.370 905 2HD LYS 24 HD1 LYS 24 7.836 -9.682 17.916 906 1HE LYS 24 HE2 LYS 24 7.434 -11.554 16.567 907 2HE LYS 24 HE1 LYS 24 7.138 -10.225 15.448 908 1HZ LYS 24 HZ3 LYS 24 9.498 -10.442 14.751 909 2HZ LYS 24 HZ2 LYS 24 9.612 -11.844 15.703 910 3HZ LYS 24 HZ1 LYS 24 8.546 -11.797 14.381 911 H HIS 25 HN HIS 25 7.664 -4.759 18.307 912 HA HIS 25 HA HIS 25 5.509 -4.909 16.270 913 1HB HIS 25 HB2 HIS 25 5.538 -4.107 19.185 914 2HB HIS 25 HB1 HIS 25 4.108 -3.965 18.163 915 HD1 HIS 25 HD1 HIS 25 3.262 -6.275 17.038 916 HD2 HIS 25 HD2 HIS 25 5.975 -6.672 20.182 917 HE1 HIS 25 HE1 HIS 25 3.112 -8.684 17.814 918 HE2 HIS 25 HE2 HIS 25 4.761 -8.937 19.726 919 H LYS 26 HN LYS 26 7.930 -2.690 16.936 920 HA LYS 26 HA LYS 26 6.358 -0.570 15.591 921 1HB LYS 26 HB2 LYS 26 6.899 1.129 17.274 922 2HB LYS 26 HB1 LYS 26 5.960 -0.177 17.997 923 1HG LYS 26 HG2 LYS 26 8.116 -1.219 18.758 924 2HG LYS 26 HG1 LYS 26 8.960 0.218 18.176 925 1HD LYS 26 HD2 LYS 26 7.542 1.620 19.668 926 2HD LYS 26 HD1 LYS 26 6.794 0.152 20.297 927 1HE LYS 26 HE2 LYS 26 9.084 -0.646 20.967 928 2HE LYS 26 HE1 LYS 26 9.714 0.934 20.498 929 1HZ LYS 26 HZ1 LYS 26 7.498 0.613 22.436 930 2HZ LYS 26 HZ3 LYS 26 9.125 0.646 22.913 931 3HZ LYS 26 HZ2 LYS 26 8.440 1.995 22.141 932 H LEU 27 HN LEU 27 7.728 1.246 14.887 933 HA LEU 27 HA LEU 27 10.584 0.415 14.453 934 1HB LEU 27 HB2 LEU 27 8.810 2.148 12.703 935 2HB LEU 27 HB1 LEU 27 10.464 1.664 12.343 936 HG LEU 27 HG LEU 27 8.143 -0.252 12.714 937 1HD1 LEU 27 HD12 LEU 27 7.959 1.158 10.671 938 2HD1 LEU 27 HD11 LEU 27 9.565 0.619 10.179 939 3HD1 LEU 27 HD13 LEU 27 8.238 -0.540 10.286 940 1HD2 LEU 27 HD22 LEU 27 11.081 -0.585 12.107 941 2HD2 LEU 27 HD21 LEU 27 10.071 -1.492 13.232 942 3HD2 LEU 27 HD23 LEU 27 9.921 -1.764 11.498 943 H LYS 28 HN LYS 28 12.149 1.910 15.024 944 HA LYS 28 HA LYS 28 11.201 4.393 16.363 945 1HB LYS 28 HB2 LYS 28 13.914 3.045 16.308 946 2HB LYS 28 HB1 LYS 28 13.568 4.546 17.162 947 1HG LYS 28 HG2 LYS 28 11.741 3.307 18.398 948 2HG LYS 28 HG1 LYS 28 12.354 1.820 17.672 949 1HD LYS 28 HD2 LYS 28 13.943 3.720 19.427 950 2HD LYS 28 HD1 LYS 28 13.314 2.148 19.915 951 1HE LYS 28 HE2 LYS 28 15.470 1.527 19.329 952 2HE LYS 28 HE1 LYS 28 14.692 1.338 17.758 953 1HZ LYS 28 HZ3 LYS 28 15.907 3.900 18.604 954 2HZ LYS 28 HZ2 LYS 28 16.821 2.685 17.846 955 3HZ LYS 28 HZ1 LYS 28 15.507 3.393 17.037 956 H LYS 29 HN LYS 29 12.987 6.245 16.037 957 HA LYS 29 HA LYS 29 12.664 7.237 13.397 958 1HB LYS 29 HB2 LYS 29 13.182 8.578 15.463 959 2HB LYS 29 HB1 LYS 29 14.848 8.013 15.345 960 1HG LYS 29 HG2 LYS 29 14.845 8.936 12.958 961 2HG LYS 29 HG1 LYS 29 13.328 9.730 13.372 962 1HD LYS 29 HD2 LYS 29 15.922 10.070 14.904 963 2HD LYS 29 HD1 LYS 29 15.308 11.211 13.708 964 1HE LYS 29 HE2 LYS 29 13.169 11.297 15.126 965 2HE LYS 29 HE1 LYS 29 14.104 10.489 16.384 966 1HZ LYS 29 HZ1 LYS 29 15.252 12.853 15.093 967 2HZ LYS 29 HZ3 LYS 29 14.018 13.082 16.232 968 3HZ LYS 29 HZ2 LYS 29 15.447 12.281 16.681 969 H SER 30 HN SER 30 15.434 5.529 14.876 970 HA SER 30 HA SER 30 17.261 5.904 12.736 971 1HB SER 30 HB2 SER 30 18.482 4.011 13.646 972 2HB SER 30 HB1 SER 30 17.850 4.974 14.978 973 HG SER 30 HG SER 30 17.251 2.414 14.192 974 H GLU 31 HN GLU 31 14.778 3.392 13.196 975 HA GLU 31 HA GLU 31 15.539 1.858 10.882 976 1HB GLU 31 HB2 GLU 31 12.898 2.081 12.361 977 2HB GLU 31 HB1 GLU 31 13.165 0.970 11.022 978 1HG GLU 31 HG2 GLU 31 13.647 -0.413 12.835 979 2HG GLU 31 HG1 GLU 31 15.254 0.199 12.460 980 H LEU 32 HN LEU 32 13.339 4.580 11.360 981 HA LEU 32 HA LEU 32 12.030 4.510 8.856 982 1HB LEU 32 HB2 LEU 32 11.357 5.944 10.770 983 2HB LEU 32 HB1 LEU 32 12.779 6.943 10.501 984 HG LEU 32 HG LEU 32 11.916 7.383 8.151 985 1HD1 LEU 32 HD13 LEU 32 9.593 5.820 9.282 986 2HD1 LEU 32 HD12 LEU 32 9.334 7.041 8.038 987 3HD1 LEU 32 HD11 LEU 32 10.372 5.657 7.709 988 1HD2 LEU 32 HD22 LEU 32 11.655 9.000 9.995 989 2HD2 LEU 32 HD21 LEU 32 10.262 9.042 8.914 990 3HD2 LEU 32 HD23 LEU 32 10.147 8.217 10.469 991 H LYS 33 HN LYS 33 15.040 6.306 9.724 992 HA LYS 33 HA LYS 33 15.304 7.362 7.053 993 1HB LYS 33 HB2 LYS 33 17.474 8.158 7.701 994 2HB LYS 33 HB1 LYS 33 16.406 8.357 9.087 995 1HG LYS 33 HG2 LYS 33 17.270 6.153 9.953 996 2HG LYS 33 HG1 LYS 33 18.467 6.185 8.659 997 1HD LYS 33 HD2 LYS 33 19.154 8.481 9.513 998 2HD LYS 33 HD1 LYS 33 18.142 8.169 10.923 999 1HE LYS 33 HE2 LYS 33 19.450 6.173 11.462 1000 2HE LYS 33 HE1 LYS 33 20.423 6.393 10.006 1001 1HZ LYS 33 HZ1 LYS 33 20.221 8.380 12.204 1002 2HZ LYS 33 HZ3 LYS 33 21.485 7.261 12.040 1003 3HZ LYS 33 HZ2 LYS 33 21.250 8.455 10.855 1004 H GLU 34 HN GLU 34 16.524 4.416 8.594 1005 HA GLU 34 HA GLU 34 18.376 3.686 6.541 1006 1HB GLU 34 HB2 GLU 34 16.862 2.195 8.661 1007 2HB GLU 34 HB1 GLU 34 17.666 1.256 7.405 1008 1HG GLU 34 HG2 GLU 34 19.099 3.411 8.975 1009 2HG GLU 34 HG1 GLU 34 19.037 1.732 9.514 1010 H LEU 35 HN LEU 35 14.883 3.067 6.843 1011 HA LEU 35 HA LEU 35 14.641 1.317 4.617 1012 1HB LEU 35 HB2 LEU 35 12.843 1.807 6.312 1013 2HB LEU 35 HB1 LEU 35 12.623 3.382 5.556 1014 HG LEU 35 HG LEU 35 12.304 1.954 3.344 1015 1HD1 LEU 35 HD12 LEU 35 12.912 -0.202 4.491 1016 2HD1 LEU 35 HD11 LEU 35 11.456 -0.036 5.468 1017 3HD1 LEU 35 HD13 LEU 35 11.327 -0.236 3.722 1018 1HD2 LEU 35 HD22 LEU 35 10.238 2.154 5.557 1019 2HD2 LEU 35 HD21 LEU 35 10.536 3.335 4.281 1020 3HD2 LEU 35 HD23 LEU 35 9.859 1.756 3.881 1021 H ILE 36 HN ILE 36 14.391 4.863 4.786 1022 HA ILE 36 HA ILE 36 13.787 5.322 2.058 1023 HB ILE 36 HB ILE 36 15.204 7.025 4.117 1024 1HG1 ILE 36 HG12 ILE 36 12.409 7.207 2.955 1025 2HG1 ILE 36 HG11 ILE 36 12.787 6.338 4.442 1026 1HG2 ILE 36 HG21 ILE 36 14.456 7.610 1.255 1027 2HG2 ILE 36 HG23 ILE 36 14.426 8.902 2.452 1028 3HG2 ILE 36 HG22 ILE 36 15.926 8.040 2.126 1029 1HD1 ILE 36 HD11 ILE 36 13.436 9.263 3.985 1030 2HD1 ILE 36 HD13 ILE 36 11.993 8.695 4.823 1031 3HD1 ILE 36 HD12 ILE 36 13.590 8.367 5.496 1032 H ASN 37 HN ASN 37 16.971 5.037 3.634 1033 HA ASN 37 HA ASN 37 18.492 5.897 1.380 1034 1HB ASN 37 HB2 ASN 37 19.263 4.103 3.686 1035 2HB ASN 37 HB1 ASN 37 20.401 4.844 2.560 1036 1HD2 ASN 37 HD22 ASN 37 19.379 6.987 5.697 1037 2HD2 ASN 37 HD21 ASN 37 19.393 5.293 5.605 1038 H ASN 38 HN ASN 38 18.305 2.496 2.561 1039 HA ASN 38 HA ASN 38 19.477 1.590 0.053 1040 1HB ASN 38 HB2 ASN 38 19.283 -0.665 1.045 1041 2HB ASN 38 HB1 ASN 38 20.070 0.489 2.122 1042 1HD2 ASN 38 HD22 ASN 38 17.430 -1.373 4.045 1043 2HD2 ASN 38 HD21 ASN 38 18.790 -1.853 3.151 1044 H GLU 39 HN GLU 39 16.119 1.814 1.116 1045 HA GLU 39 HA GLU 39 15.316 -0.187 -0.928 1046 1HB GLU 39 HB2 GLU 39 13.612 1.473 0.943 1047 2HB GLU 39 HB1 GLU 39 13.043 0.170 -0.091 1048 1HG GLU 39 HG2 GLU 39 15.129 -0.146 2.087 1049 2HG GLU 39 HG1 GLU 39 13.432 -0.601 2.242 1050 H LEU 40 HN LEU 40 16.065 3.053 -1.063 1051 HA LEU 40 HA LEU 40 13.985 3.649 -3.132 1052 1HB LEU 40 HB2 LEU 40 15.931 5.365 -1.583 1053 2HB LEU 40 HB1 LEU 40 15.143 5.970 -3.033 1054 HG LEU 40 HG LEU 40 14.057 6.460 -0.717 1055 1HD1 LEU 40 HD12 LEU 40 12.490 5.369 -3.064 1056 2HD1 LEU 40 HD11 LEU 40 11.757 6.214 -1.704 1057 3HD1 LEU 40 HD13 LEU 40 12.915 7.047 -2.737 1058 1HD2 LEU 40 HD22 LEU 40 14.168 4.058 0.044 1059 2HD2 LEU 40 HD21 LEU 40 12.567 4.783 0.164 1060 3HD2 LEU 40 HD23 LEU 40 12.931 3.676 -1.150 1061 H SER 41 HN SER 41 14.507 3.239 -5.181 1062 HA SER 41 HA SER 41 17.243 2.602 -5.929 1063 1HB SER 41 HB2 SER 41 16.216 2.414 -8.244 1064 2HB SER 41 HB1 SER 41 15.502 1.369 -7.018 1065 HG SER 41 HG SER 41 14.092 2.769 -8.452 1066 H HIS 42 HN HIS 42 14.977 5.057 -7.262 1067 HA HIS 42 HA HIS 42 17.274 6.958 -7.429 1068 1HB HIS 42 HB2 HIS 42 15.480 6.176 -9.746 1069 2HB HIS 42 HB1 HIS 42 16.616 7.524 -9.769 1070 HD1 HIS 42 HD1 HIS 42 16.412 3.870 -10.210 1071 HD2 HIS 42 HD2 HIS 42 19.418 6.668 -9.476 1072 HE1 HIS 42 HE1 HIS 42 18.611 2.707 -10.699 1073 HE2 HIS 42 HE2 HIS 42 20.446 4.403 -10.259 1074 H PHE 43 HN PHE 43 14.052 6.401 -6.620 1075 HA PHE 43 HA PHE 43 12.797 8.841 -7.382 1076 1HB PHE 43 HB2 PHE 43 12.364 6.925 -5.090 1077 2HB PHE 43 HB1 PHE 43 11.417 8.407 -5.208 1078 HD1 PHE 43 HD1 PHE 43 9.924 8.799 -7.150 1079 HD2 PHE 43 HD2 PHE 43 12.019 5.087 -6.617 1080 HE1 PHE 43 HE1 PHE 43 8.421 7.713 -8.797 1081 HE2 PHE 43 HE2 PHE 43 10.516 4.002 -8.266 1082 HZ PHE 43 HZ PHE 43 8.718 5.316 -9.354 1083 H LEU 44 HN LEU 44 14.768 8.048 -4.512 1084 HA LEU 44 HA LEU 44 15.193 10.974 -4.095 1085 1HB LEU 44 HB2 LEU 44 14.231 8.988 -2.018 1086 2HB LEU 44 HB1 LEU 44 14.966 10.529 -1.588 1087 HG LEU 44 HG LEU 44 12.627 10.458 -3.497 1088 1HD1 LEU 44 HD12 LEU 44 12.523 10.385 -0.472 1089 2HD1 LEU 44 HD11 LEU 44 11.158 10.838 -1.493 1090 3HD1 LEU 44 HD13 LEU 44 11.826 9.208 -1.585 1091 1HD2 LEU 44 HD21 LEU 44 13.676 12.478 -1.488 1092 2HD2 LEU 44 HD23 LEU 44 13.813 12.590 -3.242 1093 3HD2 LEU 44 HD22 LEU 44 12.233 12.702 -2.475 1094 H GLU 45 HN GLU 45 16.036 8.364 -1.888 1095 HA GLU 45 HA GLU 45 18.116 7.549 -1.209 1096 1HB GLU 45 HB2 GLU 45 18.048 7.224 -3.903 1097 2HB GLU 45 HB1 GLU 45 19.428 8.310 -3.794 1098 1HG GLU 45 HG2 GLU 45 19.132 5.716 -2.241 1099 2HG GLU 45 HG1 GLU 45 20.101 5.916 -3.701 1100 H GLU 46 HN GLU 46 17.388 10.531 -1.159 1101 HA GLU 46 HA GLU 46 20.114 11.738 -1.093 1102 1HB GLU 46 HB2 GLU 46 17.906 12.783 -2.154 1103 2HB GLU 46 HB1 GLU 46 17.593 13.281 -0.495 1104 1HG GLU 46 HG2 GLU 46 18.789 15.086 -1.502 1105 2HG GLU 46 HG1 GLU 46 19.965 14.245 -0.491 1106 H ILE 47 HN ILE 47 18.800 13.701 0.914 1107 HA ILE 47 HA ILE 47 18.819 14.021 3.230 1108 HB ILE 47 HB ILE 47 18.023 11.096 3.288 1109 1HG1 ILE 47 HG12 ILE 47 16.303 13.595 3.193 1110 2HG1 ILE 47 HG11 ILE 47 16.589 12.528 1.821 1111 1HG2 ILE 47 HG21 ILE 47 17.641 13.355 5.272 1112 2HG2 ILE 47 HG23 ILE 47 16.952 11.739 5.424 1113 3HG2 ILE 47 HG22 ILE 47 18.698 11.959 5.481 1114 1HD1 ILE 47 HD11 ILE 47 15.752 10.699 3.662 1115 2HD1 ILE 47 HD13 ILE 47 14.864 12.124 4.203 1116 3HD1 ILE 47 HD12 ILE 47 14.664 11.533 2.556 1117 H LYS 48 HN LYS 48 20.766 14.343 4.165 1118 HA LYS 48 HA LYS 48 22.466 11.957 4.795 1119 1HB LYS 48 HB2 LYS 48 23.260 14.535 3.452 1120 2HB LYS 48 HB1 LYS 48 24.424 13.722 4.498 1121 1HG LYS 48 HG2 LYS 48 24.153 11.645 3.177 1122 2HG LYS 48 HG1 LYS 48 23.018 12.477 2.114 1123 1HD LYS 48 HD2 LYS 48 24.676 13.822 1.158 1124 2HD LYS 48 HD1 LYS 48 25.748 13.672 2.549 1125 1HE LYS 48 HE2 LYS 48 25.082 11.241 0.897 1126 2HE LYS 48 HE1 LYS 48 26.333 12.363 0.363 1127 1HZ LYS 48 HZ2 LYS 48 26.869 12.003 3.004 1128 2HZ LYS 48 HZ1 LYS 48 26.395 10.452 2.495 1129 3HZ LYS 48 HZ3 LYS 48 27.676 11.244 1.717 1130 H GLU 49 HN GLU 49 21.447 15.244 5.640 1131 HA GLU 49 HA GLU 49 22.894 15.131 8.209 1132 1HB GLU 49 HB2 GLU 49 21.065 17.181 6.940 1133 2HB GLU 49 HB1 GLU 49 21.684 17.351 8.582 1134 1HG GLU 49 HG2 GLU 49 23.188 18.552 7.136 1135 2HG GLU 49 HG1 GLU 49 24.017 17.075 7.622 1136 H GLN 50 HN GLN 50 21.923 14.932 10.229 1137 HA GLN 50 HA GLN 50 19.534 13.327 10.371 1138 1HB GLN 50 HB2 GLN 50 21.071 14.817 12.523 1139 2HB GLN 50 HB1 GLN 50 19.760 13.683 12.844 1140 1HG GLN 50 HG2 GLN 50 21.695 12.352 13.060 1141 2HG GLN 50 HG1 GLN 50 21.145 12.002 11.421 1142 1HE2 GLN 50 HE22 GLN 50 24.271 12.971 10.130 1143 2HE2 GLN 50 HE21 GLN 50 22.963 11.890 10.083 1144 H GLU 51 HN GLU 51 20.186 16.766 10.686 1145 HA GLU 51 HA GLU 51 17.780 17.564 11.966 1146 1HB GLU 51 HB2 GLU 51 19.524 18.975 9.928 1147 2HB GLU 51 HB1 GLU 51 18.189 19.761 10.772 1148 1HG GLU 51 HG2 GLU 51 19.237 19.266 12.936 1149 2HG GLU 51 HG1 GLU 51 20.559 18.432 12.118 1150 H VAL 52 HN VAL 52 18.502 17.000 8.529 1151 HA VAL 52 HA VAL 52 16.019 17.931 7.486 1152 HB VAL 52 HB VAL 52 17.942 15.804 6.507 1153 1HG1 VAL 52 HG12 VAL 52 15.428 16.926 5.261 1154 2HG1 VAL 52 HG11 VAL 52 16.729 16.258 4.275 1155 3HG1 VAL 52 HG13 VAL 52 15.896 15.235 5.447 1156 1HG2 VAL 52 HG21 VAL 52 17.432 18.693 5.728 1157 2HG2 VAL 52 HG23 VAL 52 18.855 18.069 6.559 1158 3HG2 VAL 52 HG22 VAL 52 18.540 17.612 4.885 1159 H VAL 53 HN VAL 53 16.974 14.698 8.670 1160 HA VAL 53 HA VAL 53 14.481 13.428 8.017 1161 HB VAL 53 HB VAL 53 16.624 12.778 10.055 1162 1HG1 VAL 53 HG11 VAL 53 14.091 11.309 9.313 1163 2HG1 VAL 53 HG13 VAL 53 15.494 10.460 9.964 1164 3HG1 VAL 53 HG12 VAL 53 14.694 11.706 10.921 1165 1HG2 VAL 53 HG21 VAL 53 17.081 12.688 7.539 1166 2HG2 VAL 53 HG23 VAL 53 17.390 11.201 8.436 1167 3HG2 VAL 53 HG22 VAL 53 15.917 11.363 7.479 1168 H ASP 54 HN ASP 54 15.663 14.989 10.995 1169 HA ASP 54 HA ASP 54 13.424 14.365 12.627 1170 1HB ASP 54 HB2 ASP 54 15.520 15.335 13.512 1171 2HB ASP 54 HB1 ASP 54 15.158 16.852 12.689 1172 H LYS 55 HN LYS 55 13.992 17.141 10.462 1173 HA LYS 55 HA LYS 55 11.506 18.439 11.111 1174 1HB LYS 55 HB2 LYS 55 13.536 19.502 10.000 1175 2HB LYS 55 HB1 LYS 55 13.056 18.680 8.520 1176 1HG LYS 55 HG2 LYS 55 12.019 20.759 8.250 1177 2HG LYS 55 HG1 LYS 55 10.717 19.807 8.960 1178 1HD LYS 55 HD2 LYS 55 11.177 20.727 11.168 1179 2HD LYS 55 HD1 LYS 55 12.611 21.554 10.567 1180 1HE LYS 55 HE2 LYS 55 9.889 22.087 9.379 1181 2HE LYS 55 HE1 LYS 55 10.449 22.947 10.813 1182 1HZ LYS 55 HZ2 LYS 55 12.531 23.404 9.430 1183 2HZ LYS 55 HZ1 LYS 55 11.581 22.975 8.088 1184 3HZ LYS 55 HZ3 LYS 55 11.124 24.285 9.063 1185 H VAL 56 HN VAL 56 12.465 16.162 8.551 1186 HA VAL 56 HA VAL 56 9.923 16.249 7.189 1187 HB VAL 56 HB VAL 56 12.183 14.236 7.173 1188 1HG1 VAL 56 HG11 VAL 56 9.570 14.281 5.649 1189 2HG1 VAL 56 HG13 VAL 56 10.996 13.456 5.019 1190 3HG1 VAL 56 HG12 VAL 56 10.284 12.943 6.549 1191 1HG2 VAL 56 HG21 VAL 56 12.607 16.490 6.207 1192 2HG2 VAL 56 HG23 VAL 56 12.644 15.224 4.980 1193 3HG2 VAL 56 HG22 VAL 56 11.228 16.265 5.130 1194 H MET 57 HN MET 57 11.320 13.931 9.527 1195 HA MET 57 HA MET 57 9.081 12.185 9.589 1196 1HB MET 57 HB2 MET 57 11.416 11.854 10.629 1197 2HB MET 57 HB1 MET 57 10.811 12.785 11.996 1198 1HG MET 57 HG2 MET 57 9.290 10.385 10.964 1199 2HG MET 57 HG1 MET 57 10.618 10.204 12.104 1200 1HE MET 57 HE2 MET 57 9.223 9.059 13.695 1201 2HE MET 57 HE1 MET 57 10.160 10.190 14.667 1202 3HE MET 57 HE3 MET 57 8.446 9.927 15.018 1203 H GLU 58 HN GLU 58 9.773 15.120 11.467 1204 HA GLU 58 HA GLU 58 7.535 14.927 13.229 1205 1HB GLU 58 HB2 GLU 58 9.400 16.501 13.596 1206 2HB GLU 58 HB1 GLU 58 8.918 17.407 12.162 1207 1HG GLU 58 HG2 GLU 58 6.792 17.992 13.170 1208 2HG GLU 58 HG1 GLU 58 7.116 16.950 14.556 1209 H THR 59 HN THR 59 7.876 16.374 10.004 1210 HA THR 59 HA THR 59 5.227 17.505 9.953 1211 HB THR 59 HB THR 59 7.046 16.717 7.660 1212 HG1 THR 59 HG1 THR 59 7.404 18.477 9.490 1213 1HG2 THR 59 HG21 THR 59 4.492 18.313 7.839 1214 2HG2 THR 59 HG23 THR 59 5.669 18.630 6.566 1215 3HG2 THR 59 HG22 THR 59 4.919 17.040 6.696 1216 H LEU 60 HN LEU 60 6.552 14.403 8.797 1217 HA LEU 60 HA LEU 60 4.173 13.560 7.464 1218 1HB LEU 60 HB2 LEU 60 6.344 12.441 7.117 1219 2HB LEU 60 HB1 LEU 60 6.314 11.858 8.780 1220 HG LEU 60 HG LEU 60 4.241 10.584 8.295 1221 1HD1 LEU 60 HD12 LEU 60 4.561 11.932 5.618 1222 2HD1 LEU 60 HD11 LEU 60 3.786 10.351 5.710 1223 3HD1 LEU 60 HD13 LEU 60 3.104 11.716 6.589 1224 1HD2 LEU 60 HD23 LEU 60 6.637 10.130 6.507 1225 2HD2 LEU 60 HD22 LEU 60 6.250 9.335 8.033 1226 3HD2 LEU 60 HD21 LEU 60 5.291 8.994 6.593 1227 H ASP 61 HN ASP 61 5.233 13.150 10.840 1228 HA ASP 61 HA ASP 61 2.961 11.482 11.530 1229 1HB ASP 61 HB2 ASP 61 5.023 12.990 13.142 1230 2HB ASP 61 HB1 ASP 61 3.666 12.183 13.930 1231 H GLU 62 HN GLU 62 1.025 12.448 11.057 1232 HA GLU 62 HA GLU 62 0.412 15.209 11.443 1233 1HB GLU 62 HB2 GLU 62 -0.882 13.572 10.017 1234 2HB GLU 62 HB1 GLU 62 -1.542 12.893 11.505 1235 1HG GLU 62 HG2 GLU 62 -3.132 14.512 10.682 1236 2HG GLU 62 HG1 GLU 62 -2.350 15.214 12.099 1237 H ASP 63 HN ASP 63 -0.017 12.365 13.542 1238 HA ASP 63 HA ASP 63 -1.259 14.012 15.646 1239 1HB ASP 63 HB2 ASP 63 -1.367 11.909 16.908 1240 2HB ASP 63 HB1 ASP 63 -2.001 11.681 15.278 1241 H GLY 64 HN GLY 64 1.886 13.410 14.636 1242 1HA GLY 64 HA2 GLY 64 3.970 13.752 15.660 1243 2HA GLY 64 HA1 GLY 64 3.098 14.822 16.758 1244 H ASP 65 HN ASP 65 2.756 11.284 16.334 1245 HA ASP 65 HA ASP 65 2.727 10.905 19.206 1246 1HB ASP 65 HB2 ASP 65 2.569 8.533 18.709 1247 2HB ASP 65 HB1 ASP 65 1.534 9.412 17.583 1248 H GLY 66 HN GLY 66 5.226 11.379 16.989 1249 1HA GLY 66 HA2 GLY 66 7.548 11.413 17.357 1250 2HA GLY 66 HA1 GLY 66 7.241 10.917 19.019 1251 H GLU 67 HN GLU 67 5.672 8.775 16.975 1252 HA GLU 67 HA GLU 67 8.030 7.040 16.532 1253 1HB GLU 67 HB2 GLU 67 7.144 5.195 17.819 1254 2HB GLU 67 HB1 GLU 67 7.193 6.607 18.873 1255 1HG GLU 67 HG2 GLU 67 4.768 7.028 18.254 1256 2HG GLU 67 HG1 GLU 67 4.772 5.447 17.472 1257 H CYS 68 HN CYS 68 7.477 5.170 15.166 1258 HA CYS 68 HA CYS 68 5.101 5.737 13.429 1259 1HB CYS 68 HB2 CYS 68 7.613 4.140 12.848 1260 2HB CYS 68 HB1 CYS 68 6.304 4.449 11.708 1261 HG CYS 68 HG CYS 68 7.034 6.854 11.476 1262 H ASP 69 HN ASP 69 3.417 4.484 14.021 1263 HA ASP 69 HA ASP 69 3.867 1.815 15.210 1264 1HB ASP 69 HB2 ASP 69 2.117 3.533 16.009 1265 2HB ASP 69 HB1 ASP 69 1.195 3.083 14.575 1266 H PHE 70 HN PHE 70 2.110 0.133 14.336 1267 HA PHE 70 HA PHE 70 2.922 -0.602 11.717 1268 1HB PHE 70 HB2 PHE 70 2.006 -2.210 13.353 1269 2HB PHE 70 HB1 PHE 70 0.429 -1.431 13.236 1270 HD1 PHE 70 HD1 PHE 70 2.925 -3.489 11.466 1271 HD2 PHE 70 HD2 PHE 70 -0.988 -1.727 11.287 1272 HE1 PHE 70 HE1 PHE 70 2.379 -4.904 9.504 1273 HE2 PHE 70 HE2 PHE 70 -1.534 -3.140 9.324 1274 HZ PHE 70 HZ PHE 70 0.150 -4.729 8.432 1275 H GLN 71 HN GLN 71 -0.094 0.978 12.829 1276 HA GLN 71 HA GLN 71 -1.279 1.181 10.231 1277 1HB GLN 71 HB2 GLN 71 -2.539 1.591 12.337 1278 2HB GLN 71 HB1 GLN 71 -1.592 3.055 12.601 1279 1HG GLN 71 HG2 GLN 71 -2.442 4.008 10.498 1280 2HG GLN 71 HG1 GLN 71 -3.367 2.536 10.196 1281 1HE2 GLN 71 HE22 GLN 71 -6.074 4.083 11.854 1282 2HE2 GLN 71 HE21 GLN 71 -5.494 3.390 10.418 1283 H GLU 72 HN GLU 72 0.934 3.283 12.026 1284 HA GLU 72 HA GLU 72 0.977 5.491 10.234 1285 1HB GLU 72 HB2 GLU 72 3.103 4.379 12.074 1286 2HB GLU 72 HB1 GLU 72 3.284 5.893 11.196 1287 1HG GLU 72 HG2 GLU 72 0.945 5.318 13.033 1288 2HG GLU 72 HG1 GLU 72 2.415 6.134 13.568 1289 H PHE 73 HN PHE 73 2.781 2.437 10.210 1290 HA PHE 73 HA PHE 73 4.646 3.101 8.171 1291 1HB PHE 73 HB2 PHE 73 4.785 1.039 9.528 1292 2HB PHE 73 HB1 PHE 73 3.333 0.422 8.740 1293 HD1 PHE 73 HD2 PHE 73 3.364 -0.290 6.405 1294 HD2 PHE 73 HD1 PHE 73 6.910 1.189 8.324 1295 HE1 PHE 73 HE2 PHE 73 4.739 -1.170 4.538 1296 HE2 PHE 73 HE1 PHE 73 8.286 0.310 6.458 1297 HZ PHE 73 HZ PHE 73 7.201 -0.869 4.564 1298 H MET 74 HN MET 74 1.365 1.723 7.935 1299 HA MET 74 HA MET 74 1.311 1.444 5.096 1300 1HB MET 74 HB2 MET 74 -0.404 0.535 6.707 1301 2HB MET 74 HB1 MET 74 -1.011 2.177 6.907 1302 1HG MET 74 HG2 MET 74 -2.409 1.213 5.249 1303 2HG MET 74 HG1 MET 74 -1.275 2.216 4.346 1304 1HE MET 74 HE1 MET 74 -2.243 1.077 2.520 1305 2HE MET 74 HE3 MET 74 -0.587 0.949 1.909 1306 3HE MET 74 HE2 MET 74 -1.672 -0.437 1.823 1307 H ALA 75 HN ALA 75 0.567 4.159 7.240 1308 HA ALA 75 HA ALA 75 -0.417 5.967 5.276 1309 1HB ALA 75 HB3 ALA 75 -0.449 6.197 7.838 1310 2HB ALA 75 HB2 ALA 75 1.197 6.812 7.684 1311 3HB ALA 75 HB1 ALA 75 -0.140 7.663 6.908 1312 H PHE 76 HN PHE 76 2.906 5.229 6.296 1313 HA PHE 76 HA PHE 76 4.209 7.398 5.002 1314 1HB PHE 76 HB2 PHE 76 5.274 5.719 6.574 1315 2HB PHE 76 HB1 PHE 76 5.284 4.572 5.235 1316 HD1 PHE 76 HD2 PHE 76 6.517 5.199 3.091 1317 HD2 PHE 76 HD1 PHE 76 6.952 7.394 6.760 1318 HE1 PHE 76 HE2 PHE 76 8.615 6.210 2.239 1319 HE2 PHE 76 HE1 PHE 76 9.045 8.408 5.905 1320 HZ PHE 76 HZ PHE 76 9.879 7.816 3.645 1321 H VAL 77 HN VAL 77 3.530 4.108 3.763 1322 HA VAL 77 HA VAL 77 4.597 4.557 1.154 1323 HB VAL 77 HB VAL 77 2.376 2.703 2.057 1324 1HG1 VAL 77 HG13 VAL 77 3.967 2.898 -0.506 1325 2HG1 VAL 77 HG12 VAL 77 3.138 1.420 -0.019 1326 3HG1 VAL 77 HG11 VAL 77 2.214 2.892 -0.314 1327 1HG2 VAL 77 HG22 VAL 77 5.369 2.340 1.724 1328 2HG2 VAL 77 HG21 VAL 77 4.455 2.261 3.233 1329 3HG2 VAL 77 HG23 VAL 77 4.238 1.016 2.003 1330 H SER 78 HN SER 78 1.323 5.045 2.470 1331 HA SER 78 HA SER 78 0.067 5.682 -0.016 1332 1HB SER 78 HB2 SER 78 -1.741 6.558 1.307 1333 2HB SER 78 HB1 SER 78 -1.102 5.152 2.151 1334 HG SER 78 HG SER 78 -0.018 6.506 3.540 1335 H MET 79 HN MET 79 1.711 7.765 2.364 1336 HA MET 79 HA MET 79 0.999 10.255 1.183 1337 1HB MET 79 HB2 MET 79 2.146 9.940 3.410 1338 2HB MET 79 HB1 MET 79 3.637 9.607 2.530 1339 1HG MET 79 HG2 MET 79 3.752 11.920 3.041 1340 2HG MET 79 HG1 MET 79 3.245 11.871 1.355 1341 1HE MET 79 HE3 MET 79 2.971 13.812 4.170 1342 2HE MET 79 HE2 MET 79 2.799 14.533 2.572 1343 3HE MET 79 HE1 MET 79 1.525 14.749 3.770 1344 H VAL 80 HN VAL 80 3.762 8.098 0.536 1345 HA VAL 80 HA VAL 80 4.920 9.819 -1.469 1346 HB VAL 80 HB VAL 80 5.229 6.857 -0.913 1347 1HG1 VAL 80 HG12 VAL 80 6.620 8.667 -2.896 1348 2HG1 VAL 80 HG11 VAL 80 7.357 7.178 -2.306 1349 3HG1 VAL 80 HG13 VAL 80 5.839 7.116 -3.202 1350 1HG2 VAL 80 HG21 VAL 80 6.928 9.295 -0.299 1351 2HG2 VAL 80 HG23 VAL 80 6.054 8.304 0.869 1352 3HG2 VAL 80 HG22 VAL 80 7.429 7.630 -0.005 1353 H THR 81 HN THR 81 2.670 7.062 -1.607 1354 HA THR 81 HA THR 81 2.602 6.916 -4.476 1355 HB THR 81 HB THR 81 0.506 6.078 -2.449 1356 HG1 THR 81 HG1 THR 81 2.622 5.129 -2.271 1357 1HG2 THR 81 HG22 THR 81 0.788 5.695 -5.417 1358 2HG2 THR 81 HG21 THR 81 0.105 4.388 -4.452 1359 3HG2 THR 81 HG23 THR 81 -0.666 5.973 -4.458 1360 H THR 82 HN THR 82 0.594 8.690 -2.116 1361 HA THR 82 HA THR 82 -1.290 9.680 -4.043 1362 HB THR 82 HB THR 82 -1.732 11.451 -2.305 1363 HG1 THR 82 HG1 THR 82 0.668 11.009 -1.619 1364 1HG2 THR 82 HG22 THR 82 -1.609 8.536 -1.531 1365 2HG2 THR 82 HG21 THR 82 -2.359 9.752 -0.498 1366 3HG2 THR 82 HG23 THR 82 -3.001 9.448 -2.112 1367 H ALA 83 HN ALA 83 1.800 10.933 -2.828 1368 HA ALA 83 HA ALA 83 1.708 13.455 -4.164 1369 1HB ALA 83 HB1 ALA 83 4.079 11.723 -3.400 1370 2HB ALA 83 HB3 ALA 83 4.196 13.403 -3.924 1371 3HB ALA 83 HB2 ALA 83 3.360 13.003 -2.423 1372 H CYS 84 HN CYS 84 2.850 10.256 -5.196 1373 HA CYS 84 HA CYS 84 3.772 11.221 -7.785 1374 1HB CYS 84 HB2 CYS 84 4.810 9.234 -6.883 1375 2HB CYS 84 HB1 CYS 84 3.246 8.439 -6.701 1376 HG CYS 84 HG CYS 84 3.127 8.036 -9.199 1377 H HIS 85 HN HIS 85 2.557 11.469 -9.594 1378 HA HIS 85 HA HIS 85 -0.283 10.487 -9.563 1379 1HB HIS 85 HB2 HIS 85 0.871 12.786 -11.166 1380 2HB HIS 85 HB1 HIS 85 -0.831 12.370 -10.971 1381 HD1 HIS 85 HD1 HIS 85 1.073 14.968 -9.939 1382 HD2 HIS 85 HD2 HIS 85 -0.980 12.108 -7.703 1383 HE1 HIS 85 HE1 HIS 85 0.709 15.978 -7.643 1384 HE2 HIS 85 HE2 HIS 85 -0.539 14.247 -6.275 1385 H GLU 86 HN GLU 86 -1.092 10.268 -11.958 1386 HA GLU 86 HA GLU 86 0.214 8.136 -13.228 1387 1HB GLU 86 HB2 GLU 86 -2.115 9.004 -13.722 1388 2HB GLU 86 HB1 GLU 86 -1.368 10.294 -14.662 1389 1HG GLU 86 HG2 GLU 86 -1.949 8.554 -16.212 1390 2HG GLU 86 HG1 GLU 86 -0.200 8.491 -16.011 1391 H PHE 87 HN PHE 87 1.018 11.479 -13.180 1392 HA PHE 87 HA PHE 87 2.416 11.967 -15.535 1393 1HB PHE 87 HB2 PHE 87 2.164 13.556 -13.610 1394 2HB PHE 87 HB1 PHE 87 3.403 12.645 -12.748 1395 HD1 PHE 87 HD2 PHE 87 5.738 12.608 -13.557 1396 HD2 PHE 87 HD1 PHE 87 2.727 14.995 -15.478 1397 HE1 PHE 87 HE2 PHE 87 7.506 13.889 -14.732 1398 HE2 PHE 87 HE1 PHE 87 4.495 16.278 -16.651 1399 HZ PHE 87 HZ PHE 87 6.885 15.726 -16.279 1400 H PHE 88 HN PHE 88 3.035 9.481 -13.288 1401 HA PHE 88 HA PHE 88 5.902 9.278 -13.702 1402 1HB PHE 88 HB2 PHE 88 4.897 8.380 -11.676 1403 2HB PHE 88 HB1 PHE 88 3.880 7.295 -12.622 1404 HD1 PHE 88 HD1 PHE 88 7.301 7.982 -11.448 1405 HD2 PHE 88 HD2 PHE 88 4.807 5.328 -13.725 1406 HE1 PHE 88 HE1 PHE 88 9.109 6.285 -11.449 1407 HE2 PHE 88 HE2 PHE 88 6.615 3.631 -13.727 1408 HZ PHE 88 HZ PHE 88 8.765 4.108 -12.588 1409 H GLU 89 HN GLU 89 3.253 8.542 -15.695 1410 HA GLU 89 HA GLU 89 4.162 6.124 -16.929 1411 1HB GLU 89 HB2 GLU 89 1.899 7.102 -17.300 1412 2HB GLU 89 HB1 GLU 89 2.636 8.431 -18.191 1413 1HG GLU 89 HG2 GLU 89 1.830 6.783 -19.783 1414 2HG GLU 89 HG1 GLU 89 3.591 6.749 -19.796 1415 H HIS 90 HN HIS 90 6.043 5.838 -18.008 1416 HA HIS 90 HA HIS 90 7.399 8.220 -19.225 1417 1HB HIS 90 HB2 HIS 90 8.561 6.901 -17.367 1418 2HB HIS 90 HB1 HIS 90 8.687 5.572 -18.516 1419 HD1 HIS 90 HD1 HIS 90 9.441 9.330 -18.585 1420 HD2 HIS 90 HD2 HIS 90 11.066 5.715 -19.890 1421 HE1 HIS 90 HE1 HIS 90 11.624 9.898 -19.746 1422 HE2 HIS 90 HE2 HIS 90 12.622 7.704 -20.535 1423 H GLU 91 HN GLU 91 7.868 4.752 -19.857 1424 HA GLU 91 HA GLU 91 7.873 3.575 -21.877 1425 1HB GLU 91 HB2 GLU 91 5.425 4.128 -21.700 1426 2HB GLU 91 HB1 GLU 91 5.725 5.558 -22.687 1427 1HG GLU 91 HG2 GLU 91 6.586 4.142 -24.504 1428 2HG GLU 91 HG1 GLU 91 6.324 2.704 -23.518 No H/Q in entry = 1428 Start of MODEL 20 1 1H MET 0 HT2 MET 0 16.839 -0.283 -2.919 2 2H MET 0 HT1 MET 0 18.465 -0.032 -3.348 3 3H MET 0 HT3 MET 0 17.236 0.835 -4.135 4 HA MET 0 HA MET 0 16.549 -0.948 -5.384 5 1HB MET 0 HB2 MET 0 19.518 -1.309 -4.880 6 2HB MET 0 HB1 MET 0 18.641 -2.056 -6.217 7 1HG MET 0 HG2 MET 0 17.963 0.188 -7.016 8 2HG MET 0 HG1 MET 0 18.859 0.923 -5.688 9 1HE MET 0 HE2 MET 0 18.776 -1.349 -8.561 10 2HE MET 0 HE1 MET 0 20.317 -1.218 -9.401 11 3HE MET 0 HE3 MET 0 20.157 -2.287 -8.002 12 H SER 1 HN SER 1 15.185 -2.280 -4.104 13 HA SER 1 HA SER 1 16.417 -4.860 -3.312 14 1HB SER 1 HB2 SER 1 14.582 -3.373 -1.416 15 2HB SER 1 HB1 SER 1 15.479 -4.857 -1.105 16 HG SER 1 HG SER 1 17.013 -3.589 -0.447 17 H GLU 2 HN GLU 2 14.434 -6.329 -2.510 18 HA GLU 2 HA GLU 2 12.710 -6.673 -4.744 19 1HB GLU 2 HB2 GLU 2 12.443 -7.648 -1.887 20 2HB GLU 2 HB1 GLU 2 11.396 -8.173 -3.206 21 1HG GLU 2 HG2 GLU 2 13.363 -9.009 -4.439 22 2HG GLU 2 HG1 GLU 2 14.409 -8.486 -3.117 23 H LEU 3 HN LEU 3 12.265 -4.904 -1.717 24 HA LEU 3 HA LEU 3 9.460 -4.504 -1.881 25 1HB LEU 3 HB2 LEU 3 10.850 -3.951 0.100 26 2HB LEU 3 HB1 LEU 3 11.570 -2.612 -0.787 27 HG LEU 3 HG LEU 3 8.582 -2.621 -0.739 28 1HD1 LEU 3 HD11 LEU 3 9.120 -3.379 1.568 29 2HD1 LEU 3 HD13 LEU 3 10.153 -1.963 1.773 30 3HD1 LEU 3 HD12 LEU 3 8.416 -1.762 1.540 31 1HD2 LEU 3 HD21 LEU 3 10.298 -0.803 -1.598 32 2HD2 LEU 3 HD23 LEU 3 8.835 -0.294 -0.756 33 3HD2 LEU 3 HD22 LEU 3 10.376 -0.346 0.100 34 H GLU 4 HN GLU 4 12.134 -2.550 -3.232 35 HA GLU 4 HA GLU 4 10.485 -0.508 -4.345 36 1HB GLU 4 HB2 GLU 4 12.941 -0.317 -4.146 37 2HB GLU 4 HB1 GLU 4 13.134 -1.571 -5.370 38 1HG GLU 4 HG2 GLU 4 11.991 -0.170 -7.025 39 2HG GLU 4 HG1 GLU 4 11.713 1.073 -5.805 40 H LYS 5 HN LYS 5 11.605 -3.605 -5.704 41 HA LYS 5 HA LYS 5 10.500 -3.245 -8.311 42 1HB LYS 5 HB2 LYS 5 10.994 -5.774 -6.714 43 2HB LYS 5 HB1 LYS 5 10.559 -5.754 -8.423 44 1HG LYS 5 HG2 LYS 5 12.561 -4.397 -8.919 45 2HG LYS 5 HG1 LYS 5 12.998 -4.420 -7.211 46 1HD LYS 5 HD2 LYS 5 13.135 -6.899 -7.296 47 2HD LYS 5 HD1 LYS 5 12.752 -6.847 -9.015 48 1HE LYS 5 HE2 LYS 5 14.804 -5.205 -9.153 49 2HE LYS 5 HE1 LYS 5 15.250 -5.936 -7.610 50 1HZ LYS 5 HZ2 LYS 5 14.917 -8.137 -8.779 51 2HZ LYS 5 HZ1 LYS 5 14.910 -7.258 -10.233 52 3HZ LYS 5 HZ3 LYS 5 16.282 -7.234 -9.235 53 H ALA 6 HN ALA 6 9.099 -4.564 -5.328 54 HA ALA 6 HA ALA 6 6.658 -5.504 -6.440 55 1HB ALA 6 HB2 ALA 6 7.370 -4.467 -3.690 56 2HB ALA 6 HB1 ALA 6 5.759 -5.069 -4.078 57 3HB ALA 6 HB3 ALA 6 7.153 -6.140 -4.199 58 H MET 7 HN MET 7 7.569 -2.262 -5.265 59 HA MET 7 HA MET 7 4.986 -1.079 -5.472 60 1HB MET 7 HB2 MET 7 7.756 0.099 -5.829 61 2HB MET 7 HB1 MET 7 6.287 1.074 -5.806 62 1HG MET 7 HG2 MET 7 5.760 0.307 -3.555 63 2HG MET 7 HG1 MET 7 7.134 -0.801 -3.575 64 1HE MET 7 HE2 MET 7 5.839 2.627 -3.988 65 2HE MET 7 HE1 MET 7 7.056 3.745 -3.375 66 3HE MET 7 HE3 MET 7 7.207 3.075 -5.004 67 H VAL 8 HN VAL 8 7.558 -1.537 -7.887 68 HA VAL 8 HA VAL 8 6.160 -0.130 -9.990 69 HB VAL 8 HB VAL 8 8.394 -2.180 -10.025 70 1HG1 VAL 8 HG11 VAL 8 6.988 -0.747 -12.281 71 2HG1 VAL 8 HG13 VAL 8 8.678 -1.231 -12.434 72 3HG1 VAL 8 HG12 VAL 8 7.433 -2.449 -12.163 73 1HG2 VAL 8 HG23 VAL 8 8.301 0.823 -10.468 74 2HG2 VAL 8 HG22 VAL 8 8.976 -0.001 -9.062 75 3HG2 VAL 8 HG21 VAL 8 9.743 -0.176 -10.639 76 H ALA 9 HN ALA 9 6.339 -3.542 -8.996 77 HA ALA 9 HA ALA 9 4.884 -4.625 -11.195 78 1HB ALA 9 HB3 ALA 9 5.260 -5.544 -8.342 79 2HB ALA 9 HB2 ALA 9 4.333 -6.482 -9.513 80 3HB ALA 9 HB1 ALA 9 6.043 -6.160 -9.796 81 H LEU 10 HN LEU 10 3.757 -3.321 -8.086 82 HA LEU 10 HA LEU 10 1.027 -4.064 -8.337 83 1HB LEU 10 HB2 LEU 10 1.994 -3.210 -6.249 84 2HB LEU 10 HB1 LEU 10 2.244 -1.634 -6.989 85 HG LEU 10 HG LEU 10 -0.197 -1.381 -7.289 86 1HD1 LEU 10 HD11 LEU 10 -0.192 -4.180 -6.164 87 2HD1 LEU 10 HD13 LEU 10 -1.582 -3.128 -5.891 88 3HD1 LEU 10 HD12 LEU 10 -1.094 -3.535 -7.536 89 1HD2 LEU 10 HD23 LEU 10 0.930 -0.623 -5.199 90 2HD2 LEU 10 HD22 LEU 10 -0.748 -1.092 -4.920 91 3HD2 LEU 10 HD21 LEU 10 0.560 -2.182 -4.460 92 H ILE 11 HN ILE 11 2.696 -1.113 -9.463 93 HA ILE 11 HA ILE 11 0.331 0.174 -10.444 94 HB ILE 11 HB ILE 11 3.236 0.471 -11.265 95 1HG1 ILE 11 HG12 ILE 11 1.534 2.286 -9.539 96 2HG1 ILE 11 HG11 ILE 11 2.496 0.975 -8.857 97 1HG2 ILE 11 HG21 ILE 11 0.791 2.151 -11.901 98 2HG2 ILE 11 HG23 ILE 11 2.448 2.716 -12.114 99 3HG2 ILE 11 HG22 ILE 11 1.856 1.348 -13.054 100 1HD1 ILE 11 HD11 ILE 11 4.526 1.946 -9.919 101 2HD1 ILE 11 HD13 ILE 11 3.548 3.287 -10.517 102 3HD1 ILE 11 HD12 ILE 11 3.773 3.062 -8.780 103 H ASP 12 HN ASP 12 2.654 -2.022 -12.047 104 HA ASP 12 HA ASP 12 1.596 -1.740 -14.683 105 1HB ASP 12 HB2 ASP 12 3.038 -4.027 -13.329 106 2HB ASP 12 HB1 ASP 12 2.617 -4.039 -15.040 107 H VAL 13 HN VAL 13 0.707 -4.011 -12.079 108 HA VAL 13 HA VAL 13 -1.144 -5.540 -13.632 109 HB VAL 13 HB VAL 13 -0.958 -4.997 -10.657 110 1HG1 VAL 13 HG13 VAL 13 -2.781 -6.892 -12.174 111 2HG1 VAL 13 HG12 VAL 13 -2.463 -7.009 -10.444 112 3HG1 VAL 13 HG11 VAL 13 -3.272 -5.586 -11.095 113 1HG2 VAL 13 HG23 VAL 13 0.846 -6.305 -11.928 114 2HG2 VAL 13 HG22 VAL 13 0.103 -7.135 -10.561 115 3HG2 VAL 13 HG21 VAL 13 -0.388 -7.534 -12.207 116 H PHE 14 HN PHE 14 -1.557 -2.600 -11.698 117 HA PHE 14 HA PHE 14 -4.387 -2.421 -11.812 118 1HB PHE 14 HB2 PHE 14 -2.908 -1.020 -10.380 119 2HB PHE 14 HB1 PHE 14 -2.367 -0.159 -11.820 120 HD1 PHE 14 HD1 PHE 14 -5.175 -0.741 -9.520 121 HD2 PHE 14 HD2 PHE 14 -3.843 1.390 -13.003 122 HE1 PHE 14 HE1 PHE 14 -7.123 0.780 -9.332 123 HE2 PHE 14 HE2 PHE 14 -5.795 2.910 -12.818 124 HZ PHE 14 HZ PHE 14 -7.435 2.604 -10.982 125 H HIS 15 HN HIS 15 -1.928 -1.185 -14.082 126 HA HIS 15 HA HIS 15 -3.754 0.182 -15.803 127 1HB HIS 15 HB2 HIS 15 -1.199 0.364 -15.714 128 2HB HIS 15 HB1 HIS 15 -1.167 -1.096 -16.704 129 HD1 HIS 15 HD1 HIS 15 -3.120 2.202 -16.836 130 HD2 HIS 15 HD2 HIS 15 -1.029 -0.379 -19.362 131 HE1 HIS 15 HE1 HIS 15 -3.217 3.228 -19.153 132 HE2 HIS 15 HE2 HIS 15 -1.949 1.665 -20.697 133 H GLN 16 HN GLN 16 -2.564 -3.192 -15.887 134 HA GLN 16 HA GLN 16 -3.642 -3.892 -18.419 135 1HB GLN 16 HB2 GLN 16 -3.157 -5.543 -15.934 136 2HB GLN 16 HB1 GLN 16 -3.689 -6.248 -17.461 137 1HG GLN 16 HG2 GLN 16 -1.238 -4.488 -17.255 138 2HG GLN 16 HG1 GLN 16 -1.166 -6.240 -17.055 139 1HE2 GLN 16 HE22 GLN 16 -0.672 -5.271 -20.697 140 2HE2 GLN 16 HE21 GLN 16 0.064 -4.724 -19.268 141 H TYR 17 HN TYR 17 -5.209 -3.951 -15.212 142 HA TYR 17 HA TYR 17 -7.623 -5.195 -16.186 143 1HB TYR 17 HB2 TYR 17 -6.786 -3.804 -13.672 144 2HB TYR 17 HB1 TYR 17 -8.520 -3.903 -13.976 145 HD1 TYR 17 HD1 TYR 17 -9.519 -6.190 -14.529 146 HD2 TYR 17 HD2 TYR 17 -5.603 -5.693 -12.836 147 HE1 TYR 17 HE1 TYR 17 -9.548 -8.551 -13.775 148 HE2 TYR 17 HE2 TYR 17 -5.632 -8.057 -12.081 149 HH TYR 17 HH TYR 17 -8.189 -10.261 -13.051 150 H SER 18 HN SER 18 -6.590 -1.828 -15.905 151 HA SER 18 HA SER 18 -9.110 -0.614 -16.389 152 1HB SER 18 HB2 SER 18 -6.851 0.479 -15.752 153 2HB SER 18 HB1 SER 18 -6.527 0.496 -17.481 154 HG SER 18 HG SER 18 -7.545 2.395 -17.031 155 H GLY 19 HN GLY 19 -6.691 -1.886 -18.663 156 1HA GLY 19 HA2 GLY 19 -8.098 -0.932 -21.013 157 2HA GLY 19 HA1 GLY 19 -6.776 -2.094 -21.005 158 H ARG 20 HN ARG 20 -9.212 -3.147 -18.883 159 HA ARG 20 HA ARG 20 -9.822 -5.435 -20.471 160 1HB ARG 20 HB2 ARG 20 -10.931 -4.209 -17.984 161 2HB ARG 20 HB1 ARG 20 -12.004 -5.322 -18.821 162 1HG ARG 20 HG2 ARG 20 -9.145 -6.114 -18.265 163 2HG ARG 20 HG1 ARG 20 -10.370 -6.260 -17.002 164 1HD ARG 20 HD2 ARG 20 -10.600 -7.491 -19.771 165 2HD ARG 20 HD1 ARG 20 -10.113 -8.363 -18.319 166 HE ARG 20 HE ARG 20 -12.529 -7.262 -17.593 167 1HH1 ARG 20 HH21 ARG 20 -11.378 -9.064 -20.297 168 2HH1 ARG 20 HH22 ARG 20 -12.875 -9.899 -20.548 169 1HH2 ARG 20 HH11 ARG 20 -14.489 -8.353 -17.896 170 2HH2 ARG 20 HH12 ARG 20 -14.634 -9.501 -19.188 171 H GLU 21 HN GLU 21 -11.769 -2.491 -19.896 172 HA GLU 21 HA GLU 21 -13.513 -3.256 -22.199 173 1HB GLU 21 HB2 GLU 21 -13.861 -1.240 -19.963 174 2HB GLU 21 HB1 GLU 21 -14.996 -1.436 -21.300 175 1HG GLU 21 HG2 GLU 21 -14.170 -3.705 -19.470 176 2HG GLU 21 HG1 GLU 21 -15.612 -2.724 -19.208 177 H GLY 22 HN GLY 22 -10.718 -1.729 -21.872 178 1HA GLY 22 HA2 GLY 22 -9.663 -0.322 -23.482 179 2HA GLY 22 HA1 GLY 22 -11.251 0.078 -24.145 180 H ASP 23 HN ASP 23 -11.512 0.312 -20.859 181 HA ASP 23 HA ASP 23 -11.426 3.255 -20.974 182 1HB ASP 23 HB2 ASP 23 -12.177 1.321 -18.757 183 2HB ASP 23 HB1 ASP 23 -12.306 3.077 -18.639 184 H LYS 24 HN LYS 24 -9.073 3.421 -21.246 185 HA LYS 24 HA LYS 24 -7.371 2.476 -19.032 186 1HB LYS 24 HB2 LYS 24 -6.821 4.066 -21.553 187 2HB LYS 24 HB1 LYS 24 -5.574 3.650 -20.376 188 1HG LYS 24 HG2 LYS 24 -6.080 1.259 -20.664 189 2HG LYS 24 HG1 LYS 24 -7.329 1.657 -21.839 190 1HD LYS 24 HD2 LYS 24 -4.452 2.537 -22.181 191 2HD LYS 24 HD1 LYS 24 -5.031 0.986 -22.782 192 1HE LYS 24 HE2 LYS 24 -5.313 2.349 -24.659 193 2HE LYS 24 HE1 LYS 24 -6.911 2.453 -23.928 194 1HZ LYS 24 HZ1 LYS 24 -5.081 4.380 -22.863 195 2HZ LYS 24 HZ3 LYS 24 -5.282 4.547 -24.539 196 3HZ LYS 24 HZ2 LYS 24 -6.635 4.605 -23.512 197 H HIS 25 HN HIS 25 -8.171 3.698 -17.256 198 HA HIS 25 HA HIS 25 -6.978 6.285 -16.904 199 1HB HIS 25 HB2 HIS 25 -9.113 6.657 -18.422 200 2HB HIS 25 HB1 HIS 25 -9.995 6.457 -16.912 201 HD1 HIS 25 HD1 HIS 25 -9.724 9.200 -18.529 202 HD2 HIS 25 HD2 HIS 25 -7.503 8.122 -15.166 203 HE1 HIS 25 HE1 HIS 25 -8.890 11.360 -17.497 204 HE2 HIS 25 HE2 HIS 25 -7.542 10.714 -15.447 205 H LYS 26 HN LYS 26 -9.971 4.633 -15.848 206 HA LYS 26 HA LYS 26 -8.796 4.229 -13.161 207 1HB LYS 26 HB2 LYS 26 -10.767 5.276 -12.062 208 2HB LYS 26 HB1 LYS 26 -9.830 6.444 -12.994 209 1HG LYS 26 HG2 LYS 26 -11.441 5.987 -14.928 210 2HG LYS 26 HG1 LYS 26 -12.453 5.145 -13.752 211 1HD LYS 26 HD2 LYS 26 -12.410 7.232 -12.338 212 2HD LYS 26 HD1 LYS 26 -11.594 8.049 -13.673 213 1HE LYS 26 HE2 LYS 26 -13.498 7.536 -15.155 214 2HE LYS 26 HE1 LYS 26 -14.315 6.714 -13.825 215 1HZ LYS 26 HZ3 LYS 26 -13.842 9.001 -12.648 216 2HZ LYS 26 HZ2 LYS 26 -13.854 9.572 -14.250 217 3HZ LYS 26 HZ1 LYS 26 -15.215 8.774 -13.618 218 H LEU 27 HN LEU 27 -10.153 2.733 -11.858 219 HA LEU 27 HA LEU 27 -11.586 0.816 -13.640 220 1HB LEU 27 HB2 LEU 27 -10.228 0.618 -10.955 221 2HB LEU 27 HB1 LEU 27 -11.420 -0.596 -11.421 222 HG LEU 27 HG LEU 27 -10.151 -1.196 -13.383 223 1HD1 LEU 27 HD12 LEU 27 -8.515 1.240 -12.662 224 2HD1 LEU 27 HD11 LEU 27 -7.866 -0.030 -13.695 225 3HD1 LEU 27 HD13 LEU 27 -9.303 0.862 -14.193 226 1HD2 LEU 27 HD23 LEU 27 -9.435 -2.102 -11.144 227 2HD2 LEU 27 HD22 LEU 27 -8.145 -2.077 -12.344 228 3HD2 LEU 27 HD21 LEU 27 -8.200 -0.843 -11.085 229 H LYS 28 HN LYS 28 -13.738 0.405 -13.408 230 HA LYS 28 HA LYS 28 -15.252 2.072 -11.469 231 1HB LYS 28 HB2 LYS 28 -17.242 1.122 -12.834 232 2HB LYS 28 HB1 LYS 28 -16.185 2.292 -13.621 233 1HG LYS 28 HG2 LYS 28 -14.940 0.454 -14.699 234 2HG LYS 28 HG1 LYS 28 -15.995 -0.723 -13.912 235 1HD LYS 28 HD2 LYS 28 -17.924 0.102 -15.100 236 2HD LYS 28 HD1 LYS 28 -17.014 1.474 -15.732 237 1HE LYS 28 HE2 LYS 28 -17.131 -0.128 -17.508 238 2HE LYS 28 HE1 LYS 28 -15.488 -0.214 -16.874 239 1HZ LYS 28 HZ1 LYS 28 -16.725 -1.989 -15.325 240 2HZ LYS 28 HZ3 LYS 28 -17.627 -2.166 -16.750 241 3HZ LYS 28 HZ2 LYS 28 -15.944 -2.395 -16.778 242 H LYS 29 HN LYS 29 -17.214 0.929 -10.469 243 HA LYS 29 HA LYS 29 -16.311 -1.170 -8.791 244 1HB LYS 29 HB2 LYS 29 -18.656 -1.366 -8.071 245 2HB LYS 29 HB1 LYS 29 -18.168 0.325 -8.189 246 1HG LYS 29 HG2 LYS 29 -19.211 0.466 -10.428 247 2HG LYS 29 HG1 LYS 29 -19.726 -1.217 -10.288 248 1HD LYS 29 HD2 LYS 29 -21.027 -0.641 -8.260 249 2HD LYS 29 HD1 LYS 29 -20.546 1.047 -8.445 250 1HE LYS 29 HE2 LYS 29 -21.921 -0.445 -10.684 251 2HE LYS 29 HE1 LYS 29 -22.843 0.353 -9.410 252 1HZ LYS 29 HZ3 LYS 29 -21.344 2.353 -9.969 253 2HZ LYS 29 HZ2 LYS 29 -21.066 1.542 -11.436 254 3HZ LYS 29 HZ1 LYS 29 -22.643 1.993 -10.995 255 H SER 30 HN SER 30 -18.101 -1.322 -11.860 256 HA SER 30 HA SER 30 -18.839 -4.070 -11.691 257 1HB SER 30 HB2 SER 30 -19.602 -2.427 -13.457 258 2HB SER 30 HB1 SER 30 -18.019 -2.594 -14.211 259 HG SER 30 HG SER 30 -18.461 -4.668 -14.695 260 H GLU 31 HN GLU 31 -15.860 -2.511 -12.859 261 HA GLU 31 HA GLU 31 -14.575 -4.999 -13.591 262 1HB GLU 31 HB2 GLU 31 -13.476 -2.242 -12.987 263 2HB GLU 31 HB1 GLU 31 -12.463 -3.594 -13.494 264 1HG GLU 31 HG2 GLU 31 -13.815 -3.823 -15.555 265 2HG GLU 31 HG1 GLU 31 -14.804 -2.454 -15.048 266 H LEU 32 HN LEU 32 -14.820 -3.097 -10.642 267 HA LEU 32 HA LEU 32 -12.727 -4.321 -9.164 268 1HB LEU 32 HB2 LEU 32 -13.998 -2.286 -8.444 269 2HB LEU 32 HB1 LEU 32 -15.385 -3.313 -8.102 270 HG LEU 32 HG LEU 32 -13.695 -4.653 -6.586 271 1HD1 LEU 32 HD13 LEU 32 -12.341 -1.947 -6.802 272 2HD1 LEU 32 HD12 LEU 32 -11.953 -3.180 -5.603 273 3HD1 LEU 32 HD11 LEU 32 -11.657 -3.491 -7.310 274 1HD2 LEU 32 HD22 LEU 32 -14.859 -1.937 -5.943 275 2HD2 LEU 32 HD21 LEU 32 -15.541 -3.521 -5.578 276 3HD2 LEU 32 HD23 LEU 32 -14.108 -2.957 -4.718 277 H LYS 33 HN LYS 33 -16.113 -5.320 -9.650 278 HA LYS 33 HA LYS 33 -16.135 -7.480 -7.810 279 1HB LYS 33 HB2 LYS 33 -18.196 -6.776 -8.839 280 2HB LYS 33 HB1 LYS 33 -17.559 -7.061 -10.453 281 1HG LYS 33 HG2 LYS 33 -19.110 -8.853 -9.785 282 2HG LYS 33 HG1 LYS 33 -17.491 -9.496 -10.005 283 1HD LYS 33 HD2 LYS 33 -17.119 -9.562 -7.619 284 2HD LYS 33 HD1 LYS 33 -18.616 -8.677 -7.316 285 1HE LYS 33 HE2 LYS 33 -18.403 -11.428 -8.571 286 2HE LYS 33 HE1 LYS 33 -18.946 -11.086 -6.930 287 1HZ LYS 33 HZ3 LYS 33 -20.715 -9.677 -7.947 288 2HZ LYS 33 HZ2 LYS 33 -20.258 -10.290 -9.466 289 3HZ LYS 33 HZ1 LYS 33 -20.864 -11.336 -8.272 290 H GLU 34 HN GLU 34 -15.177 -7.418 -11.258 291 HA GLU 34 HA GLU 34 -14.502 -10.209 -11.348 292 1HB GLU 34 HB2 GLU 34 -14.880 -8.839 -13.383 293 2HB GLU 34 HB1 GLU 34 -13.420 -7.920 -13.022 294 1HG GLU 34 HG2 GLU 34 -12.938 -9.652 -14.692 295 2HG GLU 34 HG1 GLU 34 -12.077 -10.002 -13.197 296 H LEU 35 HN LEU 35 -12.550 -7.289 -10.756 297 HA LEU 35 HA LEU 35 -10.037 -8.589 -10.567 298 1HB LEU 35 HB2 LEU 35 -10.189 -6.188 -10.731 299 2HB LEU 35 HB1 LEU 35 -11.066 -6.088 -9.208 300 HG LEU 35 HG LEU 35 -8.444 -7.499 -9.014 301 1HD1 LEU 35 HD11 LEU 35 -8.597 -4.555 -9.714 302 2HD1 LEU 35 HD13 LEU 35 -7.185 -5.316 -8.977 303 3HD1 LEU 35 HD12 LEU 35 -7.721 -5.816 -10.582 304 1HD2 LEU 35 HD21 LEU 35 -9.725 -5.217 -7.468 305 2HD2 LEU 35 HD23 LEU 35 -9.794 -6.922 -7.028 306 3HD2 LEU 35 HD22 LEU 35 -8.255 -6.067 -6.995 307 H ILE 36 HN ILE 36 -12.322 -7.776 -7.913 308 HA ILE 36 HA ILE 36 -10.723 -8.922 -5.855 309 HB ILE 36 HB ILE 36 -13.729 -8.566 -6.036 310 1HG1 ILE 36 HG12 ILE 36 -11.636 -7.029 -4.465 311 2HG1 ILE 36 HG11 ILE 36 -12.212 -6.533 -6.055 312 1HG2 ILE 36 HG23 ILE 36 -11.953 -9.469 -3.755 313 2HG2 ILE 36 HG22 ILE 36 -13.558 -8.783 -3.492 314 3HG2 ILE 36 HG21 ILE 36 -13.378 -10.282 -4.403 315 1HD1 ILE 36 HD11 ILE 36 -13.955 -6.926 -3.606 316 2HD1 ILE 36 HD13 ILE 36 -13.447 -5.368 -4.258 317 3HD1 ILE 36 HD12 ILE 36 -14.517 -6.409 -5.196 318 H ASN 37 HN ASN 37 -13.326 -10.395 -7.816 319 HA ASN 37 HA ASN 37 -13.153 -12.968 -6.543 320 1HB ASN 37 HB2 ASN 37 -15.078 -12.193 -7.959 321 2HB ASN 37 HB1 ASN 37 -14.043 -12.362 -9.376 322 1HD2 ASN 37 HD22 ASN 37 -15.864 -15.624 -7.919 323 2HD2 ASN 37 HD21 ASN 37 -16.259 -14.046 -7.430 324 H ASN 38 HN ASN 38 -11.679 -11.652 -9.503 325 HA ASN 38 HA ASN 38 -10.343 -14.078 -10.245 326 1HB ASN 38 HB2 ASN 38 -10.772 -12.188 -11.799 327 2HB ASN 38 HB1 ASN 38 -9.586 -11.224 -10.917 328 1HD2 ASN 38 HD22 ASN 38 -6.784 -13.150 -12.129 329 2HD2 ASN 38 HD21 ASN 38 -7.319 -12.273 -10.776 330 H GLU 39 HN GLU 39 -9.277 -11.273 -8.312 331 HA GLU 39 HA GLU 39 -6.575 -12.350 -8.028 332 1HB GLU 39 HB2 GLU 39 -7.164 -9.890 -7.959 333 2HB GLU 39 HB1 GLU 39 -7.885 -10.179 -6.375 334 1HG GLU 39 HG2 GLU 39 -5.633 -9.427 -5.991 335 2HG GLU 39 HG1 GLU 39 -5.661 -11.157 -5.649 336 H LEU 40 HN LEU 40 -8.874 -11.471 -5.437 337 HA LEU 40 HA LEU 40 -7.817 -13.753 -3.829 338 1HB LEU 40 HB2 LEU 40 -9.576 -11.435 -2.979 339 2HB LEU 40 HB1 LEU 40 -8.798 -12.602 -1.912 340 HG LEU 40 HG LEU 40 -7.158 -10.913 -3.810 341 1HD1 LEU 40 HD12 LEU 40 -8.064 -10.191 -1.005 342 2HD1 LEU 40 HD11 LEU 40 -6.829 -9.327 -1.921 343 3HD1 LEU 40 HD13 LEU 40 -8.497 -9.343 -2.489 344 1HD2 LEU 40 HD22 LEU 40 -6.602 -12.273 -1.150 345 2HD2 LEU 40 HD21 LEU 40 -6.025 -12.806 -2.730 346 3HD2 LEU 40 HD23 LEU 40 -5.436 -11.294 -2.041 347 H SER 41 HN SER 41 -9.042 -15.526 -3.554 348 HA SER 41 HA SER 41 -12.012 -15.304 -3.698 349 1HB SER 41 HB2 SER 41 -11.759 -16.151 -5.850 350 2HB SER 41 HB1 SER 41 -10.228 -16.937 -5.471 351 HG SER 41 HG SER 41 -11.378 -18.667 -5.203 352 H HIS 42 HN HIS 42 -9.212 -17.415 -3.055 353 HA HIS 42 HA HIS 42 -10.599 -19.275 -1.402 354 1HB HIS 42 HB2 HIS 42 -8.083 -19.383 -0.364 355 2HB HIS 42 HB1 HIS 42 -8.516 -20.131 -1.899 356 HD1 HIS 42 HD1 HIS 42 -7.531 -16.570 -0.862 357 HD2 HIS 42 HD2 HIS 42 -6.686 -19.402 -3.807 358 HE1 HIS 42 HE1 HIS 42 -5.818 -15.513 -2.407 359 HE2 HIS 42 HE2 HIS 42 -5.291 -17.233 -4.195 360 H PHE 43 HN PHE 43 -8.936 -16.218 -0.590 361 HA PHE 43 HA PHE 43 -9.390 -16.482 2.255 362 1HB PHE 43 HB2 PHE 43 -8.817 -14.071 0.505 363 2HB PHE 43 HB1 PHE 43 -8.938 -13.990 2.262 364 HD1 PHE 43 HD1 PHE 43 -7.489 -15.774 3.579 365 HD2 PHE 43 HD2 PHE 43 -6.716 -14.494 -0.446 366 HE1 PHE 43 HE1 PHE 43 -5.131 -16.523 3.789 367 HE2 PHE 43 HE2 PHE 43 -4.361 -15.239 -0.235 368 HZ PHE 43 HZ PHE 43 -3.568 -16.251 1.885 369 H LEU 44 HN LEU 44 -11.149 -14.913 -0.400 370 HA LEU 44 HA LEU 44 -13.534 -14.649 1.408 371 1HB LEU 44 HB2 LEU 44 -12.571 -12.714 -0.725 372 2HB LEU 44 HB1 LEU 44 -14.109 -12.582 0.122 373 HG LEU 44 HG LEU 44 -11.491 -12.716 1.632 374 1HD1 LEU 44 HD13 LEU 44 -12.884 -10.262 0.518 375 2HD1 LEU 44 HD12 LEU 44 -11.606 -10.213 1.731 376 3HD1 LEU 44 HD11 LEU 44 -11.264 -10.829 0.115 377 1HD2 LEU 44 HD23 LEU 44 -14.294 -11.731 2.253 378 2HD2 LEU 44 HD22 LEU 44 -13.410 -13.034 3.046 379 3HD2 LEU 44 HD21 LEU 44 -12.908 -11.363 3.273 380 H GLU 45 HN GLU 45 -15.248 -15.774 0.607 381 HA GLU 45 HA GLU 45 -15.617 -15.974 -2.327 382 1HB GLU 45 HB2 GLU 45 -15.770 -18.374 -2.344 383 2HB GLU 45 HB1 GLU 45 -14.250 -17.966 -1.553 384 1HG GLU 45 HG2 GLU 45 -15.460 -18.154 0.664 385 2HG GLU 45 HG1 GLU 45 -16.835 -18.814 -0.224 386 H GLU 46 HN GLU 46 -16.905 -14.954 0.343 387 HA GLU 46 HA GLU 46 -19.503 -16.347 0.287 388 1HB GLU 46 HB2 GLU 46 -18.443 -15.532 2.413 389 2HB GLU 46 HB1 GLU 46 -18.677 -13.881 1.845 390 1HG GLU 46 HG2 GLU 46 -21.086 -14.185 1.783 391 2HG GLU 46 HG1 GLU 46 -20.916 -15.897 2.174 392 H ILE 47 HN ILE 47 -18.049 -13.739 -1.366 393 HA ILE 47 HA ILE 47 -20.428 -12.103 -1.689 394 HB ILE 47 HB ILE 47 -17.909 -12.251 -3.375 395 1HG1 ILE 47 HG12 ILE 47 -18.675 -10.214 -1.267 396 2HG1 ILE 47 HG11 ILE 47 -17.675 -11.623 -0.910 397 1HG2 ILE 47 HG22 ILE 47 -20.248 -10.335 -3.294 398 2HG2 ILE 47 HG21 ILE 47 -18.681 -9.869 -3.958 399 3HG2 ILE 47 HG23 ILE 47 -19.589 -11.193 -4.686 400 1HD1 ILE 47 HD13 ILE 47 -17.015 -9.651 -3.112 401 2HD1 ILE 47 HD12 ILE 47 -16.387 -9.504 -1.470 402 3HD1 ILE 47 HD11 ILE 47 -15.975 -10.912 -2.450 403 H LYS 48 HN LYS 48 -22.102 -12.460 -3.069 404 HA LYS 48 HA LYS 48 -21.680 -14.015 -5.549 405 1HB LYS 48 HB2 LYS 48 -22.250 -15.718 -3.820 406 2HB LYS 48 HB1 LYS 48 -23.742 -14.839 -3.477 407 1HG LYS 48 HG2 LYS 48 -24.475 -15.162 -5.815 408 2HG LYS 48 HG1 LYS 48 -22.984 -16.037 -6.162 409 1HD LYS 48 HD2 LYS 48 -23.597 -17.712 -4.430 410 2HD LYS 48 HD1 LYS 48 -25.114 -16.853 -4.164 411 1HE LYS 48 HE2 LYS 48 -25.829 -17.276 -6.437 412 2HE LYS 48 HE1 LYS 48 -24.255 -17.957 -6.850 413 1HZ LYS 48 HZ1 LYS 48 -25.669 -19.142 -4.591 414 2HZ LYS 48 HZ3 LYS 48 -26.295 -19.455 -6.138 415 3HZ LYS 48 HZ2 LYS 48 -24.691 -19.878 -5.770 416 H GLU 49 HN GLU 49 -24.058 -12.385 -3.443 417 HA GLU 49 HA GLU 49 -25.732 -11.703 -5.765 418 1HB GLU 49 HB2 GLU 49 -25.914 -11.052 -2.814 419 2HB GLU 49 HB1 GLU 49 -27.076 -10.470 -4.008 420 1HG GLU 49 HG2 GLU 49 -27.612 -12.773 -4.651 421 2HG GLU 49 HG1 GLU 49 -26.403 -13.388 -3.524 422 H GLN 50 HN GLN 50 -26.046 -9.604 -6.561 423 HA GLN 50 HA GLN 50 -23.742 -7.876 -6.503 424 1HB GLN 50 HB2 GLN 50 -24.983 -6.465 -8.012 425 2HB GLN 50 HB1 GLN 50 -25.337 -8.135 -8.441 426 1HG GLN 50 HG2 GLN 50 -27.109 -6.305 -6.778 427 2HG GLN 50 HG1 GLN 50 -27.404 -6.826 -8.433 428 1HE2 GLN 50 HE22 GLN 50 -28.033 -10.284 -7.368 429 2HE2 GLN 50 HE21 GLN 50 -27.111 -9.472 -8.538 430 H GLU 51 HN GLU 51 -26.731 -7.978 -4.701 431 HA GLU 51 HA GLU 51 -26.823 -5.292 -3.778 432 1HB GLU 51 HB2 GLU 51 -28.654 -6.911 -3.440 433 2HB GLU 51 HB1 GLU 51 -27.638 -7.831 -2.331 434 1HG GLU 51 HG2 GLU 51 -27.536 -5.956 -0.787 435 2HG GLU 51 HG1 GLU 51 -28.410 -4.927 -1.925 436 H VAL 52 HN VAL 52 -25.043 -8.106 -2.520 437 HA VAL 52 HA VAL 52 -24.066 -6.864 -0.144 438 HB VAL 52 HB VAL 52 -22.920 -9.064 -1.885 439 1HG1 VAL 52 HG11 VAL 52 -21.965 -7.939 0.756 440 2HG1 VAL 52 HG13 VAL 52 -21.571 -9.578 0.235 441 3HG1 VAL 52 HG12 VAL 52 -21.029 -8.197 -0.716 442 1HG2 VAL 52 HG21 VAL 52 -24.432 -9.021 0.745 443 2HG2 VAL 52 HG23 VAL 52 -25.023 -9.632 -0.803 444 3HG2 VAL 52 HG22 VAL 52 -23.715 -10.468 0.035 445 H VAL 53 HN VAL 53 -22.699 -6.991 -3.440 446 HA VAL 53 HA VAL 53 -20.257 -5.663 -2.846 447 HB VAL 53 HB VAL 53 -21.908 -5.743 -5.384 448 1HG1 VAL 53 HG13 VAL 53 -19.186 -4.550 -4.826 449 2HG1 VAL 53 HG12 VAL 53 -19.669 -5.060 -6.444 450 3HG1 VAL 53 HG11 VAL 53 -20.567 -3.788 -5.616 451 1HG2 VAL 53 HG23 VAL 53 -19.483 -7.248 -4.361 452 2HG2 VAL 53 HG22 VAL 53 -21.058 -7.911 -4.804 453 3HG2 VAL 53 HG21 VAL 53 -19.987 -7.275 -6.052 454 H ASP 54 HN ASP 54 -23.455 -4.350 -3.684 455 HA ASP 54 HA ASP 54 -22.664 -1.631 -3.937 456 1HB ASP 54 HB2 ASP 54 -24.892 -2.387 -4.597 457 2HB ASP 54 HB1 ASP 54 -25.279 -2.783 -2.922 458 H LYS 55 HN LYS 55 -23.720 -3.454 -1.055 459 HA LYS 55 HA LYS 55 -23.601 -1.270 0.768 460 1HB LYS 55 HB2 LYS 55 -24.612 -3.445 1.344 461 2HB LYS 55 HB1 LYS 55 -23.019 -4.200 1.279 462 1HG LYS 55 HG2 LYS 55 -22.232 -2.883 3.136 463 2HG LYS 55 HG1 LYS 55 -23.683 -1.881 3.109 464 1HD LYS 55 HD2 LYS 55 -23.921 -3.487 4.906 465 2HD LYS 55 HD1 LYS 55 -25.036 -3.939 3.619 466 1HE LYS 55 HE2 LYS 55 -23.657 -5.731 2.899 467 2HE LYS 55 HE1 LYS 55 -22.259 -5.121 3.785 468 1HZ LYS 55 HZ2 LYS 55 -23.552 -5.510 5.852 469 2HZ LYS 55 HZ1 LYS 55 -24.737 -6.290 4.917 470 3HZ LYS 55 HZ3 LYS 55 -23.169 -6.928 4.999 471 H VAL 56 HN VAL 56 -21.103 -3.676 -0.103 472 HA VAL 56 HA VAL 56 -19.079 -2.465 1.563 473 HB VAL 56 HB VAL 56 -18.909 -4.352 -0.805 474 1HG1 VAL 56 HG11 VAL 56 -16.754 -3.234 0.999 475 2HG1 VAL 56 HG13 VAL 56 -16.550 -4.747 0.113 476 3HG1 VAL 56 HG12 VAL 56 -16.800 -3.238 -0.765 477 1HG2 VAL 56 HG22 VAL 56 -18.707 -4.698 2.200 478 2HG2 VAL 56 HG21 VAL 56 -19.933 -5.374 1.128 479 3HG2 VAL 56 HG23 VAL 56 -18.269 -5.956 1.043 480 H MET 57 HN MET 57 -19.935 -2.175 -1.877 481 HA MET 57 HA MET 57 -17.753 -0.533 -2.664 482 1HB MET 57 HB2 MET 57 -19.395 -1.608 -4.226 483 2HB MET 57 HB1 MET 57 -20.591 -0.412 -3.725 484 1HG MET 57 HG2 MET 57 -19.556 0.362 -5.779 485 2HG MET 57 HG1 MET 57 -19.000 1.394 -4.463 486 1HE MET 57 HE3 MET 57 -17.606 1.991 -6.473 487 2HE MET 57 HE2 MET 57 -16.425 2.206 -5.185 488 3HE MET 57 HE1 MET 57 -15.956 1.389 -6.672 489 H GLU 58 HN GLU 58 -20.981 0.379 -1.449 490 HA GLU 58 HA GLU 58 -20.614 3.189 -1.624 491 1HB GLU 58 HB2 GLU 58 -22.802 2.105 -1.191 492 2HB GLU 58 HB1 GLU 58 -22.240 1.644 0.416 493 1HG GLU 58 HG2 GLU 58 -21.957 4.003 1.023 494 2HG GLU 58 HG1 GLU 58 -22.441 4.495 -0.601 495 H THR 59 HN THR 59 -19.793 0.909 0.972 496 HA THR 59 HA THR 59 -19.001 2.866 2.895 497 HB THR 59 HB THR 59 -17.941 0.049 2.504 498 HG1 THR 59 HG1 THR 59 -19.828 -0.499 3.198 499 1HG2 THR 59 HG21 THR 59 -17.943 1.900 4.904 500 2HG2 THR 59 HG23 THR 59 -17.451 0.206 4.936 501 3HG2 THR 59 HG22 THR 59 -16.523 1.377 3.997 502 H LEU 60 HN LEU 60 -17.185 1.233 0.308 503 HA LEU 60 HA LEU 60 -14.688 2.584 1.031 504 1HB LEU 60 HB2 LEU 60 -14.933 0.271 -0.094 505 2HB LEU 60 HB1 LEU 60 -15.269 1.166 -1.575 506 HG LEU 60 HG LEU 60 -13.034 2.460 -0.927 507 1HD1 LEU 60 HD11 LEU 60 -12.869 1.178 1.267 508 2HD1 LEU 60 HD13 LEU 60 -12.496 -0.250 0.304 509 3HD1 LEU 60 HD12 LEU 60 -11.423 1.147 0.263 510 1HD2 LEU 60 HD23 LEU 60 -13.219 -0.306 -2.142 511 2HD2 LEU 60 HD22 LEU 60 -13.186 1.245 -2.984 512 3HD2 LEU 60 HD21 LEU 60 -11.738 0.651 -2.171 513 H ASP 61 HN ASP 61 -17.463 3.403 -0.808 514 HA ASP 61 HA ASP 61 -16.082 5.154 -2.696 515 1HB ASP 61 HB2 ASP 61 -18.335 4.083 -3.113 516 2HB ASP 61 HB1 ASP 61 -19.010 5.197 -1.921 517 H GLU 62 HN GLU 62 -14.891 6.695 -1.557 518 HA GLU 62 HA GLU 62 -16.110 8.202 0.646 519 1HB GLU 62 HB2 GLU 62 -13.658 7.644 0.552 520 2HB GLU 62 HB1 GLU 62 -13.510 8.751 -0.813 521 1HG GLU 62 HG2 GLU 62 -14.366 10.596 0.585 522 2HG GLU 62 HG1 GLU 62 -14.511 9.492 1.953 523 H ASP 63 HN ASP 63 -15.560 8.597 -2.794 524 HA ASP 63 HA ASP 63 -16.276 11.457 -2.739 525 1HB ASP 63 HB2 ASP 63 -15.670 9.520 -4.989 526 2HB ASP 63 HB1 ASP 63 -16.057 11.222 -5.239 527 H GLY 64 HN GLY 64 -17.943 8.513 -2.780 528 1HA GLY 64 HA2 GLY 64 -20.210 8.013 -3.126 529 2HA GLY 64 HA1 GLY 64 -20.504 9.750 -3.026 530 H ASP 65 HN ASP 65 -18.211 8.826 -5.405 531 HA ASP 65 HA ASP 65 -20.124 9.592 -7.528 532 1HB ASP 65 HB2 ASP 65 -18.128 9.651 -8.977 533 2HB ASP 65 HB1 ASP 65 -17.888 10.617 -7.521 534 H GLY 66 HN GLY 66 -19.209 6.744 -6.049 535 1HA GLY 66 HA2 GLY 66 -19.682 4.516 -6.619 536 2HA GLY 66 HA1 GLY 66 -20.526 5.125 -8.041 537 H GLU 67 HN GLU 67 -17.149 5.870 -7.370 538 HA GLU 67 HA GLU 67 -16.294 3.964 -9.521 539 1HB GLU 67 HB2 GLU 67 -15.542 6.894 -9.279 540 2HB GLU 67 HB1 GLU 67 -14.819 5.758 -10.417 541 1HG GLU 67 HG2 GLU 67 -17.018 5.359 -11.441 542 2HG GLU 67 HG1 GLU 67 -17.766 6.466 -10.288 543 H CYS 68 HN CYS 68 -14.164 3.166 -9.250 544 HA CYS 68 HA CYS 68 -12.975 3.672 -6.549 545 1HB CYS 68 HB2 CYS 68 -13.648 1.306 -7.352 546 2HB CYS 68 HB1 CYS 68 -12.233 1.406 -8.401 547 HG CYS 68 HG CYS 68 -12.160 1.299 -5.296 548 H ASP 69 HN ASP 69 -11.335 5.101 -6.590 549 HA ASP 69 HA ASP 69 -9.767 5.526 -9.060 550 1HB ASP 69 HB2 ASP 69 -9.779 6.893 -6.355 551 2HB ASP 69 HB1 ASP 69 -8.668 7.325 -7.655 552 H PHE 70 HN PHE 70 -7.326 5.673 -8.789 553 HA PHE 70 HA PHE 70 -6.265 3.186 -7.896 554 1HB PHE 70 HB2 PHE 70 -5.136 4.605 -9.566 555 2HB PHE 70 HB1 PHE 70 -4.842 5.832 -8.332 556 HD1 PHE 70 HD1 PHE 70 -3.270 5.423 -6.491 557 HD2 PHE 70 HD2 PHE 70 -3.851 2.541 -9.623 558 HE1 PHE 70 HE1 PHE 70 -1.189 4.263 -5.807 559 HE2 PHE 70 HE2 PHE 70 -1.769 1.378 -8.938 560 HZ PHE 70 HZ PHE 70 -0.438 2.240 -7.029 561 H GLN 71 HN GLN 71 -6.214 6.413 -6.372 562 HA GLN 71 HA GLN 71 -4.750 5.670 -4.035 563 1HB GLN 71 HB2 GLN 71 -5.253 8.017 -4.674 564 2HB GLN 71 HB1 GLN 71 -6.958 7.737 -4.331 565 1HG GLN 71 HG2 GLN 71 -6.386 7.215 -1.973 566 2HG GLN 71 HG1 GLN 71 -4.687 7.540 -2.328 567 1HE2 GLN 71 HE22 GLN 71 -6.411 10.994 -3.244 568 2HE2 GLN 71 HE21 GLN 71 -6.332 9.648 -4.274 569 H GLU 72 HN GLU 72 -8.232 5.744 -4.708 570 HA GLU 72 HA GLU 72 -9.133 4.815 -2.171 571 1HB GLU 72 HB2 GLU 72 -10.332 4.619 -4.948 572 2HB GLU 72 HB1 GLU 72 -11.193 4.136 -3.484 573 1HG GLU 72 HG2 GLU 72 -10.917 6.400 -2.559 574 2HG GLU 72 HG1 GLU 72 -10.030 6.892 -4.002 575 H PHE 73 HN PHE 73 -8.172 3.096 -5.115 576 HA PHE 73 HA PHE 73 -8.940 0.478 -4.326 577 1HB PHE 73 HB2 PHE 73 -8.277 0.934 -6.609 578 2HB PHE 73 HB1 PHE 73 -6.673 1.445 -6.089 579 HD1 PHE 73 HD2 PHE 73 -8.986 -1.501 -5.865 580 HD2 PHE 73 HD1 PHE 73 -4.927 -0.118 -6.117 581 HE1 PHE 73 HE2 PHE 73 -8.194 -3.846 -6.009 582 HE2 PHE 73 HE1 PHE 73 -4.136 -2.462 -6.261 583 HZ PHE 73 HZ PHE 73 -5.769 -4.327 -6.207 584 H MET 74 HN MET 74 -5.944 2.294 -3.717 585 HA MET 74 HA MET 74 -4.486 0.190 -2.470 586 1HB MET 74 HB2 MET 74 -3.382 2.267 -3.090 587 2HB MET 74 HB1 MET 74 -4.403 3.180 -1.978 588 1HG MET 74 HG2 MET 74 -3.412 2.160 -0.066 589 2HG MET 74 HG1 MET 74 -2.627 0.918 -1.042 590 1HE MET 74 HE2 MET 74 -0.283 0.946 -1.289 591 2HE MET 74 HE1 MET 74 -0.775 1.486 -2.892 592 3HE MET 74 HE3 MET 74 0.606 2.242 -2.085 593 H ALA 75 HN ALA 75 -6.862 2.477 -1.174 594 HA ALA 75 HA ALA 75 -6.526 1.912 1.582 595 1HB ALA 75 HB3 ALA 75 -9.058 2.616 0.065 596 2HB ALA 75 HB2 ALA 75 -8.871 2.702 1.818 597 3HB ALA 75 HB1 ALA 75 -7.920 3.761 0.775 598 H PHE 76 HN PHE 76 -8.486 0.230 -0.876 599 HA PHE 76 HA PHE 76 -9.806 -1.561 0.909 600 1HB PHE 76 HB2 PHE 76 -10.431 -1.344 -1.472 601 2HB PHE 76 HB1 PHE 76 -8.887 -2.054 -1.942 602 HD1 PHE 76 HD1 PHE 76 -12.166 -2.701 -0.397 603 HD2 PHE 76 HD2 PHE 76 -8.421 -4.419 -1.610 604 HE1 PHE 76 HE1 PHE 76 -13.123 -4.973 -0.130 605 HE2 PHE 76 HE2 PHE 76 -9.377 -6.692 -1.341 606 HZ PHE 76 HZ PHE 76 -11.728 -6.969 -0.600 607 H VAL 77 HN VAL 77 -6.759 -1.904 -0.887 608 HA VAL 77 HA VAL 77 -6.041 -4.468 0.120 609 HB VAL 77 HB VAL 77 -4.263 -2.178 -0.767 610 1HG1 VAL 77 HG12 VAL 77 -3.744 -5.124 -0.313 611 2HG1 VAL 77 HG11 VAL 77 -2.670 -4.093 -1.257 612 3HG1 VAL 77 HG13 VAL 77 -2.931 -3.762 0.456 613 1HG2 VAL 77 HG21 VAL 77 -5.597 -4.478 -2.212 614 2HG2 VAL 77 HG23 VAL 77 -5.727 -2.754 -2.566 615 3HG2 VAL 77 HG22 VAL 77 -4.218 -3.611 -2.892 616 H SER 78 HN SER 78 -5.473 -1.202 1.377 617 HA SER 78 HA SER 78 -3.664 -1.854 3.456 618 1HB SER 78 HB2 SER 78 -4.298 0.467 2.737 619 2HB SER 78 HB1 SER 78 -5.837 0.254 3.568 620 HG SER 78 HG SER 78 -4.737 0.034 5.493 621 H MET 79 HN MET 79 -7.230 -1.946 3.441 622 HA MET 79 HA MET 79 -7.568 -2.473 6.216 623 1HB MET 79 HB2 MET 79 -9.213 -3.300 3.814 624 2HB MET 79 HB1 MET 79 -9.721 -3.599 5.476 625 1HG MET 79 HG2 MET 79 -9.629 -1.200 5.961 626 2HG MET 79 HG1 MET 79 -9.055 -0.873 4.327 627 1HE MET 79 HE3 MET 79 -11.060 0.891 4.514 628 2HE MET 79 HE2 MET 79 -12.763 0.457 4.619 629 3HE MET 79 HE1 MET 79 -11.711 0.210 6.010 630 H VAL 80 HN VAL 80 -6.953 -4.695 3.503 631 HA VAL 80 HA VAL 80 -7.222 -7.086 5.089 632 HB VAL 80 HB VAL 80 -5.711 -6.580 2.509 633 1HG1 VAL 80 HG12 VAL 80 -6.355 -9.111 4.034 634 2HG1 VAL 80 HG11 VAL 80 -6.028 -9.125 2.301 635 3HG1 VAL 80 HG13 VAL 80 -4.788 -8.572 3.428 636 1HG2 VAL 80 HG21 VAL 80 -8.230 -6.218 2.566 637 2HG2 VAL 80 HG23 VAL 80 -7.673 -7.435 1.419 638 3HG2 VAL 80 HG22 VAL 80 -8.385 -7.932 2.954 639 H THR 81 HN THR 81 -4.437 -5.034 4.240 640 HA THR 81 HA THR 81 -2.467 -6.751 5.441 641 HB THR 81 HB THR 81 -1.015 -4.737 5.359 642 HG1 THR 81 HG1 THR 81 -2.189 -3.007 5.699 643 1HG2 THR 81 HG21 THR 81 -2.722 -5.425 2.969 644 2HG2 THR 81 HG23 THR 81 -1.361 -4.309 2.851 645 3HG2 THR 81 HG22 THR 81 -1.090 -5.983 3.340 646 H THR 82 HN THR 82 -4.342 -3.999 6.721 647 HA THR 82 HA THR 82 -2.987 -3.787 9.215 648 HB THR 82 HB THR 82 -5.171 -2.827 10.047 649 HG1 THR 82 HG1 THR 82 -5.930 -3.801 7.530 650 1HG2 THR 82 HG22 THR 82 -4.012 -1.873 7.420 651 2HG2 THR 82 HG21 THR 82 -5.157 -0.930 8.377 652 3HG2 THR 82 HG23 THR 82 -3.575 -1.337 9.043 653 H ALA 83 HN ALA 83 -5.673 -5.859 8.194 654 HA ALA 83 HA ALA 83 -6.264 -6.987 10.740 655 1HB ALA 83 HB3 ALA 83 -7.699 -7.263 8.737 656 2HB ALA 83 HB2 ALA 83 -6.467 -8.294 8.011 657 3HB ALA 83 HB1 ALA 83 -7.304 -8.815 9.473 658 H CYS 84 HN CYS 84 -3.702 -7.656 8.431 659 HA CYS 84 HA CYS 84 -2.938 -10.215 9.482 660 1HB CYS 84 HB2 CYS 84 -1.121 -10.089 8.030 661 2HB CYS 84 HB1 CYS 84 -2.235 -8.961 7.269 662 HG CYS 84 HG CYS 84 -0.818 -6.998 8.048 663 H HIS 85 HN HIS 85 -1.583 -10.765 11.158 664 HA HIS 85 HA HIS 85 -0.624 -8.536 12.920 665 1HB HIS 85 HB2 HIS 85 -2.290 -10.337 13.763 666 2HB HIS 85 HB1 HIS 85 -0.909 -11.431 13.744 667 HD1 HIS 85 HD1 HIS 85 1.326 -10.221 15.034 668 HD2 HIS 85 HD2 HIS 85 -2.512 -9.067 16.190 669 HE1 HIS 85 HE1 HIS 85 1.552 -9.169 17.329 670 HE2 HIS 85 HE2 HIS 85 -0.777 -8.459 18.038 671 H GLU 86 HN GLU 86 0.733 -9.765 10.506 672 HA GLU 86 HA GLU 86 2.987 -10.118 9.959 673 1HB GLU 86 HB2 GLU 86 3.296 -8.846 12.287 674 2HB GLU 86 HB1 GLU 86 3.788 -10.442 12.846 675 1HG GLU 86 HG2 GLU 86 4.984 -9.063 10.422 676 2HG GLU 86 HG1 GLU 86 5.698 -9.033 12.034 677 H PHE 87 HN PHE 87 1.339 -12.091 12.322 678 HA PHE 87 HA PHE 87 3.047 -14.434 11.760 679 1HB PHE 87 HB2 PHE 87 2.187 -14.181 14.038 680 2HB PHE 87 HB1 PHE 87 0.530 -14.132 13.430 681 HD1 PHE 87 HD1 PHE 87 3.471 -16.268 14.032 682 HD2 PHE 87 HD2 PHE 87 -0.565 -16.133 12.569 683 HE1 PHE 87 HE1 PHE 87 3.373 -18.747 14.073 684 HE2 PHE 87 HE2 PHE 87 -0.664 -18.611 12.610 685 HZ PHE 87 HZ PHE 87 1.306 -19.918 13.361 686 H PHE 88 HN PHE 88 0.450 -12.852 10.344 687 HA PHE 88 HA PHE 88 -1.058 -15.131 9.383 688 1HB PHE 88 HB2 PHE 88 -1.836 -12.695 9.516 689 2HB PHE 88 HB1 PHE 88 -0.855 -12.407 8.082 690 HD1 PHE 88 HD1 PHE 88 -1.435 -13.426 5.921 691 HD2 PHE 88 HD2 PHE 88 -3.856 -14.037 9.416 692 HE1 PHE 88 HE1 PHE 88 -3.278 -14.279 4.495 693 HE2 PHE 88 HE2 PHE 88 -5.697 -14.890 7.992 694 HZ PHE 88 HZ PHE 88 -5.411 -15.008 5.535 695 H GLU 89 HN GLU 89 0.562 -16.544 8.538 696 HA GLU 89 HA GLU 89 1.467 -15.827 5.798 697 1HB GLU 89 HB2 GLU 89 3.374 -15.292 7.280 698 2HB GLU 89 HB1 GLU 89 3.310 -16.918 7.956 699 1HG GLU 89 HG2 GLU 89 3.780 -17.868 5.723 700 2HG GLU 89 HG1 GLU 89 3.838 -16.244 5.043 701 H HIS 90 HN HIS 90 2.671 -18.563 7.636 702 HA HIS 90 HA HIS 90 1.713 -20.462 5.720 703 1HB HIS 90 HB2 HIS 90 2.499 -20.920 8.617 704 2HB HIS 90 HB1 HIS 90 2.383 -22.162 7.370 705 HD1 HIS 90 HD1 HIS 90 4.116 -21.924 5.323 706 HD2 HIS 90 HD2 HIS 90 4.921 -19.540 8.651 707 HE1 HIS 90 HE1 HIS 90 6.524 -21.162 5.097 708 HE2 HIS 90 HE2 HIS 90 7.020 -19.702 7.112 709 H GLU 91 HN GLU 91 -0.195 -21.637 5.666 710 HA GLU 91 HA GLU 91 -2.055 -21.500 7.982 711 1HB GLU 91 HB2 GLU 91 -2.686 -20.520 5.182 712 2HB GLU 91 HB1 GLU 91 -3.930 -20.916 6.369 713 1HG GLU 91 HG2 GLU 91 -3.025 -19.239 7.914 714 2HG GLU 91 HG1 GLU 91 -1.729 -18.865 6.778 715 1H MET 0 HT3 MET 0 -4.526 -15.172 -7.748 716 2H MET 0 HT2 MET 0 -5.063 -16.696 -7.229 717 3H MET 0 HT1 MET 0 -4.606 -15.521 -6.090 718 HA MET 0 HA MET 0 -2.519 -16.200 -6.133 719 1HB MET 0 HB2 MET 0 -3.607 -18.167 -8.167 720 2HB MET 0 HB1 MET 0 -2.008 -18.291 -7.427 721 1HG MET 0 HG2 MET 0 -3.062 -18.367 -5.186 722 2HG MET 0 HG1 MET 0 -4.652 -18.276 -5.941 723 1HE MET 0 HE1 MET 0 -1.386 -19.898 -5.625 724 2HE MET 0 HE3 MET 0 -1.618 -21.634 -5.857 725 3HE MET 0 HE2 MET 0 -1.430 -20.574 -7.252 726 H SER 1 HN SER 1 -1.649 -14.273 -7.014 727 HA SER 1 HA SER 1 -0.508 -14.590 -9.730 728 1HB SER 1 HB2 SER 1 -2.011 -12.081 -8.939 729 2HB SER 1 HB1 SER 1 -1.294 -12.444 -10.507 730 HG SER 1 HG SER 1 -3.031 -14.360 -9.590 731 H GLU 2 HN GLU 2 0.935 -12.466 -10.102 732 HA GLU 2 HA GLU 2 2.974 -12.493 -8.118 733 1HB GLU 2 HB2 GLU 2 2.357 -10.479 -10.294 734 2HB GLU 2 HB1 GLU 2 3.804 -10.408 -9.290 735 1HG GLU 2 HG2 GLU 2 4.463 -12.647 -10.054 736 2HG GLU 2 HG1 GLU 2 3.003 -12.755 -11.040 737 H LEU 3 HN LEU 3 0.206 -10.349 -8.580 738 HA LEU 3 HA LEU 3 0.969 -8.283 -6.793 739 1HB LEU 3 HB2 LEU 3 -0.978 -8.205 -8.344 740 2HB LEU 3 HB1 LEU 3 -1.818 -9.365 -7.320 741 HG LEU 3 HG LEU 3 -0.758 -6.960 -5.892 742 1HD1 LEU 3 HD12 LEU 3 -1.576 -5.973 -8.030 743 2HD1 LEU 3 HD11 LEU 3 -3.152 -6.714 -7.740 744 3HD1 LEU 3 HD13 LEU 3 -2.541 -5.476 -6.639 745 1HD2 LEU 3 HD23 LEU 3 -3.401 -8.465 -5.899 746 2HD2 LEU 3 HD22 LEU 3 -2.128 -8.560 -4.681 747 3HD2 LEU 3 HD21 LEU 3 -3.060 -7.074 -4.870 748 H GLU 4 HN GLU 4 -0.809 -11.319 -6.151 749 HA GLU 4 HA GLU 4 -1.251 -10.836 -3.377 750 1HB GLU 4 HB2 GLU 4 -2.339 -12.657 -4.689 751 2HB GLU 4 HB1 GLU 4 -0.792 -13.505 -4.743 752 1HG GLU 4 HG2 GLU 4 -0.751 -13.610 -2.283 753 2HG GLU 4 HG1 GLU 4 -2.286 -12.742 -2.215 754 H LYS 5 HN LYS 5 1.467 -12.388 -5.072 755 HA LYS 5 HA LYS 5 2.926 -13.170 -2.748 756 1HB LYS 5 HB2 LYS 5 3.871 -12.428 -5.532 757 2HB LYS 5 HB1 LYS 5 4.913 -13.137 -4.295 758 1HG LYS 5 HG2 LYS 5 3.416 -15.091 -4.147 759 2HG LYS 5 HG1 LYS 5 2.373 -14.387 -5.385 760 1HD LYS 5 HD2 LYS 5 4.257 -14.424 -6.988 761 2HD LYS 5 HD1 LYS 5 5.287 -15.147 -5.752 762 1HE LYS 5 HE2 LYS 5 3.419 -16.972 -5.604 763 2HE LYS 5 HE1 LYS 5 2.930 -16.356 -7.182 764 1HZ LYS 5 HZ2 LYS 5 5.765 -16.820 -6.890 765 2HZ LYS 5 HZ1 LYS 5 4.812 -18.224 -6.794 766 3HZ LYS 5 HZ3 LYS 5 4.720 -17.230 -8.165 767 H ALA 6 HN ALA 6 2.916 -10.152 -4.613 768 HA ALA 6 HA ALA 6 5.093 -8.885 -3.300 769 1HB ALA 6 HB1 ALA 6 2.586 -7.727 -4.546 770 2HB ALA 6 HB3 ALA 6 3.949 -6.748 -4.002 771 3HB ALA 6 HB2 ALA 6 4.167 -7.914 -5.308 772 H MET 7 HN MET 7 1.638 -9.036 -2.429 773 HA MET 7 HA MET 7 1.750 -7.204 -0.250 774 1HB MET 7 HB2 MET 7 0.028 -9.657 -0.701 775 2HB MET 7 HB1 MET 7 -0.213 -8.531 0.634 776 1HG MET 7 HG2 MET 7 -0.587 -6.694 -0.919 777 2HG MET 7 HG1 MET 7 -0.215 -7.738 -2.291 778 1HE MET 7 HE1 MET 7 -2.232 -7.093 0.740 779 2HE MET 7 HE3 MET 7 -3.838 -7.784 0.475 780 3HE MET 7 HE2 MET 7 -2.501 -8.819 0.962 781 H VAL 8 HN VAL 8 2.413 -10.694 -0.416 782 HA VAL 8 HA VAL 8 2.904 -10.980 2.414 783 HB VAL 8 HB VAL 8 3.717 -12.650 0.017 784 1HG1 VAL 8 HG13 VAL 8 4.192 -13.075 2.974 785 2HG1 VAL 8 HG12 VAL 8 4.143 -14.420 1.833 786 3HG1 VAL 8 HG11 VAL 8 5.365 -13.161 1.659 787 1HG2 VAL 8 HG22 VAL 8 1.606 -12.928 2.180 788 2HG2 VAL 8 HG21 VAL 8 1.328 -12.654 0.460 789 3HG2 VAL 8 HG23 VAL 8 1.991 -14.192 1.010 790 H ALA 9 HN ALA 9 4.987 -10.333 -0.392 791 HA ALA 9 HA ALA 9 7.484 -10.513 0.971 792 1HB ALA 9 HB3 ALA 9 6.697 -8.818 -1.414 793 2HB ALA 9 HB2 ALA 9 8.355 -9.139 -0.905 794 3HB ALA 9 HB1 ALA 9 7.335 -10.461 -1.468 795 H LEU 10 HN LEU 10 5.283 -7.753 0.523 796 HA LEU 10 HA LEU 10 6.978 -5.748 1.600 797 1HB LEU 10 HB2 LEU 10 4.894 -5.233 0.411 798 2HB LEU 10 HB1 LEU 10 3.953 -5.968 1.705 799 HG LEU 10 HG LEU 10 4.803 -4.264 3.287 800 1HD1 LEU 10 HD11 LEU 10 6.381 -3.415 0.862 801 2HD1 LEU 10 HD13 LEU 10 5.949 -2.231 2.096 802 3HD1 LEU 10 HD12 LEU 10 6.932 -3.628 2.523 803 1HD2 LEU 10 HD22 LEU 10 2.733 -3.898 1.883 804 2HD2 LEU 10 HD21 LEU 10 3.510 -2.412 2.430 805 3HD2 LEU 10 HD23 LEU 10 3.730 -2.962 0.768 806 H ILE 11 HN ILE 11 4.665 -7.906 3.247 807 HA ILE 11 HA ILE 11 4.993 -6.744 5.845 808 HB ILE 11 HB ILE 11 4.174 -9.542 5.019 809 1HG1 ILE 11 HG12 ILE 11 2.487 -7.191 5.924 810 2HG1 ILE 11 HG11 ILE 11 2.791 -7.567 4.227 811 1HG2 ILE 11 HG23 ILE 11 4.073 -8.105 7.683 812 2HG2 ILE 11 HG22 ILE 11 3.092 -9.524 7.322 813 3HG2 ILE 11 HG21 ILE 11 4.849 -9.645 7.322 814 1HD1 ILE 11 HD11 ILE 11 1.601 -9.543 6.190 815 2HD1 ILE 11 HD13 ILE 11 0.635 -8.524 5.123 816 3HD1 ILE 11 HD12 ILE 11 1.731 -9.725 4.440 817 H ASP 12 HN ASP 12 6.699 -9.437 4.236 818 HA ASP 12 HA ASP 12 8.206 -10.269 6.512 819 1HB ASP 12 HB2 ASP 12 8.773 -10.435 3.546 820 2HB ASP 12 HB1 ASP 12 9.818 -11.169 4.763 821 H VAL 13 HN VAL 13 8.963 -7.839 4.012 822 HA VAL 13 HA VAL 13 11.612 -7.279 4.928 823 HB VAL 13 HB VAL 13 9.592 -5.606 3.414 824 1HG1 VAL 13 HG12 VAL 13 12.481 -5.016 4.108 825 2HG1 VAL 13 HG11 VAL 13 11.620 -4.212 2.797 826 3HG1 VAL 13 HG13 VAL 13 11.071 -4.017 4.461 827 1HG2 VAL 13 HG23 VAL 13 10.514 -7.665 2.331 828 2HG2 VAL 13 HG22 VAL 13 10.981 -6.184 1.494 829 3HG2 VAL 13 HG21 VAL 13 12.137 -7.006 2.544 830 H PHE 14 HN PHE 14 8.471 -5.901 5.827 831 HA PHE 14 HA PHE 14 9.403 -3.775 7.456 832 1HB PHE 14 HB2 PHE 14 7.052 -4.094 6.723 833 2HB PHE 14 HB1 PHE 14 6.915 -5.466 7.819 834 HD1 PHE 14 HD1 PHE 14 7.203 -1.814 7.557 835 HD2 PHE 14 HD2 PHE 14 6.834 -5.140 10.250 836 HE1 PHE 14 HE1 PHE 14 6.611 -0.260 9.394 837 HE2 PHE 14 HE2 PHE 14 6.244 -3.583 12.090 838 HZ PHE 14 HZ PHE 14 6.131 -1.143 11.660 839 H HIS 15 HN HIS 15 8.746 -7.176 8.298 840 HA HIS 15 HA HIS 15 9.202 -6.893 11.106 841 1HB HIS 15 HB2 HIS 15 8.119 -8.852 9.846 842 2HB HIS 15 HB1 HIS 15 9.761 -9.407 9.531 843 HD1 HIS 15 HD1 HIS 15 7.931 -8.118 12.638 844 HD2 HIS 15 HD2 HIS 15 10.489 -11.206 11.487 845 HE1 HIS 15 HE1 HIS 15 8.343 -9.518 14.710 846 HE2 HIS 15 HE2 HIS 15 9.893 -11.403 14.019 847 H GLN 16 HN GLN 16 11.456 -7.694 8.448 848 HA GLN 16 HA GLN 16 13.688 -8.390 10.058 849 1HB GLN 16 HB2 GLN 16 13.529 -7.128 7.318 850 2HB GLN 16 HB1 GLN 16 15.051 -7.633 8.052 851 1HG GLN 16 HG2 GLN 16 12.692 -9.502 7.754 852 2HG GLN 16 HG1 GLN 16 13.941 -9.343 6.519 853 1HE2 GLN 16 HE22 GLN 16 14.839 -12.053 9.031 854 2HE2 GLN 16 HE21 GLN 16 13.422 -11.755 8.147 855 H TYR 17 HN TYR 17 12.646 -5.166 8.933 856 HA TYR 17 HA TYR 17 14.979 -3.826 9.970 857 1HB TYR 17 HB2 TYR 17 12.304 -2.980 8.932 858 2HB TYR 17 HB1 TYR 17 13.163 -1.815 9.935 859 HD1 TYR 17 HD1 TYR 17 15.577 -1.247 9.337 860 HD2 TYR 17 HD2 TYR 17 12.929 -3.311 6.657 861 HE1 TYR 17 HE1 TYR 17 17.039 -0.640 7.430 862 HE2 TYR 17 HE2 TYR 17 14.393 -2.703 4.747 863 HH TYR 17 HH TYR 17 17.514 -1.167 5.245 864 H SER 18 HN SER 18 11.838 -4.628 11.378 865 HA SER 18 HA SER 18 12.047 -3.026 13.714 866 1HB SER 18 HB2 SER 18 10.054 -4.442 12.857 867 2HB SER 18 HB1 SER 18 10.807 -5.778 13.723 868 HG SER 18 HG SER 18 10.689 -3.451 15.162 869 H GLY 19 HN GLY 19 13.342 -6.255 13.007 870 1HA GLY 19 HA2 GLY 19 14.303 -6.696 15.707 871 2HA GLY 19 HA1 GLY 19 14.734 -7.649 14.291 872 H ARG 20 HN ARG 20 15.339 -4.372 13.647 873 HA ARG 20 HA ARG 20 18.159 -4.770 13.484 874 1HB ARG 20 HB2 ARG 20 16.326 -2.415 13.348 875 2HB ARG 20 HB1 ARG 20 18.014 -2.052 13.684 876 1HG ARG 20 HG2 ARG 20 17.309 -3.912 11.416 877 2HG ARG 20 HG1 ARG 20 17.193 -2.168 11.188 878 1HD ARG 20 HD2 ARG 20 19.678 -3.630 12.152 879 2HD ARG 20 HD1 ARG 20 19.419 -3.042 10.509 880 HE ARG 20 HE ARG 20 19.057 -0.777 12.020 881 1HH1 ARG 20 HH21 ARG 20 21.452 -3.254 11.882 882 2HH1 ARG 20 HH22 ARG 20 22.762 -2.194 12.282 883 1HH2 ARG 20 HH11 ARG 20 20.757 0.624 12.527 884 2HH2 ARG 20 HH12 ARG 20 22.369 0.001 12.645 885 H GLU 21 HN GLU 21 16.257 -3.043 15.976 886 HA GLU 21 HA GLU 21 18.661 -3.086 17.755 887 1HB GLU 21 HB2 GLU 21 16.067 -1.520 17.894 888 2HB GLU 21 HB1 GLU 21 17.329 -1.465 19.127 889 1HG GLU 21 HG2 GLU 21 17.829 -0.833 16.206 890 2HG GLU 21 HG1 GLU 21 17.455 0.396 17.415 891 H GLY 22 HN GLY 22 16.295 -5.141 17.081 892 1HA GLY 22 HA2 GLY 22 15.649 -7.037 18.375 893 2HA GLY 22 HA1 GLY 22 16.239 -6.225 19.828 894 H ASP 23 HN ASP 23 14.484 -3.983 18.174 895 HA ASP 23 HA ASP 23 12.207 -4.262 20.016 896 1HB ASP 23 HB2 ASP 23 12.875 -2.216 17.877 897 2HB ASP 23 HB1 ASP 23 11.474 -2.118 18.942 898 H LYS 24 HN LYS 24 11.371 -6.287 19.082 899 HA LYS 24 HA LYS 24 10.364 -6.190 16.311 900 1HB LYS 24 HB2 LYS 24 10.211 -8.268 18.504 901 2HB LYS 24 HB1 LYS 24 9.484 -8.486 16.913 902 1HG LYS 24 HG2 LYS 24 11.686 -8.158 15.855 903 2HG LYS 24 HG1 LYS 24 12.424 -7.943 17.440 904 1HD LYS 24 HD2 LYS 24 10.880 -10.440 16.700 905 2HD LYS 24 HD1 LYS 24 12.607 -10.284 16.398 906 1HE LYS 24 HE2 LYS 24 12.556 -11.333 18.493 907 2HE LYS 24 HE1 LYS 24 12.737 -9.639 18.940 908 1HZ LYS 24 HZ3 LYS 24 10.013 -10.174 18.629 909 2HZ LYS 24 HZ2 LYS 24 10.668 -11.403 19.601 910 3HZ LYS 24 HZ1 LYS 24 10.847 -9.775 20.050 911 H HIS 25 HN HIS 25 8.781 -4.524 16.431 912 HA HIS 25 HA HIS 25 6.157 -5.372 17.226 913 1HB HIS 25 HB2 HIS 25 7.409 -4.664 19.447 914 2HB HIS 25 HB1 HIS 25 7.098 -3.027 18.879 915 HD1 HIS 25 HD1 HIS 25 5.701 -4.389 21.409 916 HD2 HIS 25 HD2 HIS 25 4.015 -3.992 17.614 917 HE1 HIS 25 HE1 HIS 25 3.189 -4.521 21.722 918 HE2 HIS 25 HE2 HIS 25 2.154 -4.277 19.419 919 H LYS 26 HN LYS 26 7.976 -2.299 17.102 920 HA LYS 26 HA LYS 26 6.491 -1.515 14.665 921 1HB LYS 26 HB2 LYS 26 5.819 0.651 15.680 922 2HB LYS 26 HB1 LYS 26 5.055 -0.719 16.486 923 1HG LYS 26 HG2 LYS 26 7.022 -0.631 18.141 924 2HG LYS 26 HG1 LYS 26 7.380 0.952 17.452 925 1HD LYS 26 HD2 LYS 26 4.982 1.602 17.938 926 2HD LYS 26 HD1 LYS 26 4.829 0.090 18.835 927 1HE LYS 26 HE2 LYS 26 6.676 0.762 20.312 928 2HE LYS 26 HE1 LYS 26 6.863 2.266 19.407 929 1HZ LYS 26 HZ2 LYS 26 4.363 2.543 19.949 930 2HZ LYS 26 HZ1 LYS 26 4.681 1.432 21.195 931 3HZ LYS 26 HZ3 LYS 26 5.520 2.907 21.139 932 H LEU 27 HN LEU 27 7.476 0.428 13.657 933 HA LEU 27 HA LEU 27 10.403 0.534 14.241 934 1HB LEU 27 HB2 LEU 27 8.684 1.155 11.840 935 2HB LEU 27 HB1 LEU 27 10.302 1.848 11.959 936 HG LEU 27 HG LEU 27 11.304 -0.351 12.111 937 1HD1 LEU 27 HD13 LEU 27 8.435 -1.253 12.364 938 2HD1 LEU 27 HD12 LEU 27 9.693 -2.365 11.829 939 3HD1 LEU 27 HD11 LEU 27 9.797 -1.615 13.421 940 1HD2 LEU 27 HD22 LEU 27 9.204 -0.102 9.938 941 2HD2 LEU 27 HD21 LEU 27 10.909 0.338 9.841 942 3HD2 LEU 27 HD23 LEU 27 10.440 -1.359 9.937 943 H LYS 28 HN LYS 28 11.371 2.380 14.963 944 HA LYS 28 HA LYS 28 9.615 4.684 15.625 945 1HB LYS 28 HB2 LYS 28 11.772 5.442 16.857 946 2HB LYS 28 HB1 LYS 28 10.881 4.071 17.513 947 1HG LYS 28 HG2 LYS 28 12.419 2.516 16.379 948 2HG LYS 28 HG1 LYS 28 13.311 3.881 15.705 949 1HD LYS 28 HD2 LYS 28 13.977 4.623 17.902 950 2HD LYS 28 HD1 LYS 28 12.903 3.461 18.679 951 1HE LYS 28 HE2 LYS 28 15.101 2.517 18.792 952 2HE LYS 28 HE1 LYS 28 14.254 1.630 17.527 953 1HZ LYS 28 HZ2 LYS 28 15.312 3.696 16.174 954 2HZ LYS 28 HZ1 LYS 28 16.518 3.404 17.334 955 3HZ LYS 28 HZ3 LYS 28 16.023 2.158 16.295 956 H LYS 29 HN LYS 29 10.697 6.905 15.330 957 HA LYS 29 HA LYS 29 11.151 7.357 12.567 958 1HB LYS 29 HB2 LYS 29 11.780 9.646 13.226 959 2HB LYS 29 HB1 LYS 29 10.343 9.108 14.093 960 1HG LYS 29 HG2 LYS 29 11.741 8.521 16.046 961 2HG LYS 29 HG1 LYS 29 13.174 9.079 15.184 962 1HD LYS 29 HD2 LYS 29 12.171 11.337 14.999 963 2HD LYS 29 HD1 LYS 29 10.771 10.776 15.914 964 1HE LYS 29 HE2 LYS 29 13.576 10.529 17.007 965 2HE LYS 29 HE1 LYS 29 12.617 11.991 17.238 966 1HZ LYS 29 HZ1 LYS 29 10.830 10.454 18.104 967 2HZ LYS 29 HZ3 LYS 29 12.020 9.247 18.169 968 3HZ LYS 29 HZ2 LYS 29 12.193 10.661 19.098 969 H SER 30 HN SER 30 13.487 6.853 15.201 970 HA SER 30 HA SER 30 15.807 7.674 13.766 971 1HB SER 30 HB2 SER 30 15.696 7.076 16.227 972 2HB SER 30 HB1 SER 30 15.668 5.383 15.746 973 HG SER 30 HG SER 30 17.628 6.264 14.413 974 H GLU 31 HN GLU 31 14.121 4.543 13.899 975 HA GLU 31 HA GLU 31 15.976 3.205 12.128 976 1HB GLU 31 HB2 GLU 31 13.126 2.595 12.946 977 2HB GLU 31 HB1 GLU 31 14.053 1.557 11.864 978 1HG GLU 31 HG2 GLU 31 15.795 1.308 13.602 979 2HG GLU 31 HG1 GLU 31 14.853 2.333 14.684 980 H LEU 32 HN LEU 32 13.075 5.139 11.695 981 HA LEU 32 HA LEU 32 12.505 4.495 8.986 982 1HB LEU 32 HB2 LEU 32 11.038 5.856 10.509 983 2HB LEU 32 HB1 LEU 32 12.172 7.193 10.333 984 HG LEU 32 HG LEU 32 11.801 6.887 7.766 985 1HD1 LEU 32 HD13 LEU 32 9.457 5.358 8.920 986 2HD1 LEU 32 HD12 LEU 32 9.429 6.075 7.312 987 3HD1 LEU 32 HD11 LEU 32 10.604 4.818 7.696 988 1HD2 LEU 32 HD21 LEU 32 10.997 8.813 9.116 989 2HD2 LEU 32 HD23 LEU 32 9.870 8.384 7.829 990 3HD2 LEU 32 HD22 LEU 32 9.530 7.909 9.493 991 H LYS 33 HN LYS 33 14.765 6.876 10.383 992 HA LYS 33 HA LYS 33 15.513 8.153 7.961 993 1HB LYS 33 HB2 LYS 33 16.234 9.077 10.067 994 2HB LYS 33 HB1 LYS 33 17.053 7.585 10.511 995 1HG LYS 33 HG2 LYS 33 18.666 9.305 9.798 996 2HG LYS 33 HG1 LYS 33 18.697 7.941 8.692 997 1HD LYS 33 HD2 LYS 33 17.394 9.153 7.058 998 2HD LYS 33 HD1 LYS 33 17.087 10.461 8.204 999 1HE LYS 33 HE2 LYS 33 19.822 9.650 7.170 1000 2HE LYS 33 HE1 LYS 33 18.901 11.047 6.612 1001 1HZ LYS 33 HZ3 LYS 33 18.904 11.865 8.919 1002 2HZ LYS 33 HZ2 LYS 33 19.909 10.568 9.364 1003 3HZ LYS 33 HZ1 LYS 33 20.465 11.742 8.268 1004 H GLU 34 HN GLU 34 16.897 5.257 9.547 1005 HA GLU 34 HA GLU 34 18.872 4.813 7.514 1006 1HB GLU 34 HB2 GLU 34 18.966 3.764 9.764 1007 2HB GLU 34 HB1 GLU 34 17.544 2.805 9.362 1008 1HG GLU 34 HG2 GLU 34 19.586 1.482 9.034 1009 2HG GLU 34 HG1 GLU 34 18.788 1.758 7.489 1010 H LEU 35 HN LEU 35 15.591 3.509 7.978 1011 HA LEU 35 HA LEU 35 15.603 1.731 5.772 1012 1HB LEU 35 HB2 LEU 35 13.874 1.639 7.457 1013 2HB LEU 35 HB1 LEU 35 13.323 3.261 7.049 1014 HG LEU 35 HG LEU 35 13.388 1.368 4.737 1015 1HD1 LEU 35 HD12 LEU 35 12.598 -0.104 6.622 1016 2HD1 LEU 35 HD11 LEU 35 11.269 1.026 6.880 1017 3HD1 LEU 35 HD13 LEU 35 11.396 0.145 5.357 1018 1HD2 LEU 35 HD21 LEU 35 11.278 3.249 5.863 1019 2HD2 LEU 35 HD23 LEU 35 12.417 3.638 4.574 1020 3HD2 LEU 35 HD22 LEU 35 11.177 2.414 4.312 1021 H ILE 36 HN ILE 36 14.428 5.126 5.875 1022 HA ILE 36 HA ILE 36 13.693 5.211 3.124 1023 HB ILE 36 HB ILE 36 14.563 7.435 4.996 1024 1HG1 ILE 36 HG12 ILE 36 11.821 6.675 3.952 1025 2HG1 ILE 36 HG11 ILE 36 12.461 6.097 5.489 1026 1HG2 ILE 36 HG21 ILE 36 13.335 7.554 2.220 1027 2HG2 ILE 36 HG23 ILE 36 13.422 8.926 3.323 1028 3HG2 ILE 36 HG22 ILE 36 14.904 8.204 2.702 1029 1HD1 ILE 36 HD12 ILE 36 12.095 9.008 4.719 1030 2HD1 ILE 36 HD11 ILE 36 11.054 8.099 5.814 1031 3HD1 ILE 36 HD13 ILE 36 12.729 8.426 6.258 1032 H ASN 37 HN ASN 37 16.774 6.090 4.709 1033 HA ASN 37 HA ASN 37 18.068 6.893 2.265 1034 1HB ASN 37 HB2 ASN 37 18.876 7.466 4.577 1035 2HB ASN 37 HB1 ASN 37 19.374 5.783 4.764 1036 1HD2 ASN 37 HD21 ASN 37 20.426 8.832 3.664 1037 2HD2 ASN 37 HD22 ASN 37 21.779 8.315 2.779 1038 H ASN 38 HN ASN 38 18.015 3.828 4.069 1039 HA ASN 38 HA ASN 38 19.818 2.448 2.314 1040 1HB ASN 38 HB2 ASN 38 19.276 1.726 4.635 1041 2HB ASN 38 HB1 ASN 38 17.656 1.286 4.089 1042 1HD2 ASN 38 HD22 ASN 38 18.814 -1.558 2.201 1043 2HD2 ASN 38 HD21 ASN 38 17.610 -0.362 2.218 1044 H GLU 39 HN GLU 39 16.258 2.678 2.378 1045 HA GLU 39 HA GLU 39 15.981 0.801 0.155 1046 1HB GLU 39 HB2 GLU 39 14.240 1.184 1.954 1047 2HB GLU 39 HB1 GLU 39 13.915 2.749 1.206 1048 1HG GLU 39 HG2 GLU 39 12.319 1.186 0.303 1049 2HG GLU 39 HG1 GLU 39 13.495 1.515 -0.967 1050 H LEU 40 HN LEU 40 14.798 4.162 0.355 1051 HA LEU 40 HA LEU 40 15.365 4.462 -2.559 1052 1HB LEU 40 HB2 LEU 40 13.756 6.231 -0.696 1053 2HB LEU 40 HB1 LEU 40 13.837 6.371 -2.448 1054 HG LEU 40 HG LEU 40 12.908 3.807 -1.142 1055 1HD1 LEU 40 HD12 LEU 40 11.523 5.753 -0.321 1056 2HD1 LEU 40 HD11 LEU 40 11.118 6.097 -2.004 1057 3HD1 LEU 40 HD13 LEU 40 10.617 4.575 -1.270 1058 1HD2 LEU 40 HD21 LEU 40 12.460 5.109 -3.844 1059 2HD2 LEU 40 HD23 LEU 40 13.420 3.668 -3.522 1060 3HD2 LEU 40 HD22 LEU 40 11.673 3.626 -3.320 1061 H SER 41 HN SER 41 17.051 5.680 -3.201 1062 HA SER 41 HA SER 41 18.017 7.899 -1.457 1063 1HB SER 41 HB2 SER 41 19.698 6.414 -0.845 1064 2HB SER 41 HB1 SER 41 19.558 5.483 -2.334 1065 HG SER 41 HG SER 41 20.966 7.835 -1.794 1066 H HIS 42 HN HIS 42 18.328 6.221 -4.584 1067 HA HIS 42 HA HIS 42 19.429 8.430 -6.006 1068 1HB HIS 42 HB2 HIS 42 18.090 7.117 -7.977 1069 2HB HIS 42 HB1 HIS 42 19.613 6.537 -7.309 1070 HD1 HIS 42 HD1 HIS 42 15.945 6.230 -6.218 1071 HD2 HIS 42 HD2 HIS 42 19.367 3.885 -6.675 1072 HE1 HIS 42 HE1 HIS 42 15.300 3.874 -5.537 1073 HE2 HIS 42 HE2 HIS 42 17.373 2.439 -5.817 1074 H PHE 43 HN PHE 43 16.030 7.478 -5.439 1075 HA PHE 43 HA PHE 43 14.944 9.620 -7.053 1076 1HB PHE 43 HB2 PHE 43 13.745 7.963 -4.816 1077 2HB PHE 43 HB1 PHE 43 12.831 9.149 -5.744 1078 HD1 PHE 43 HD1 PHE 43 13.012 8.924 -8.375 1079 HD2 PHE 43 HD2 PHE 43 13.836 5.754 -5.598 1080 HE1 PHE 43 HE1 PHE 43 12.650 7.251 -10.171 1081 HE2 PHE 43 HE2 PHE 43 13.467 4.083 -7.391 1082 HZ PHE 43 HZ PHE 43 12.872 4.833 -9.678 1083 H LEU 44 HN LEU 44 15.703 9.256 -3.607 1084 HA LEU 44 HA LEU 44 15.416 12.229 -3.280 1085 1HB LEU 44 HB2 LEU 44 14.670 10.030 -1.324 1086 2HB LEU 44 HB1 LEU 44 14.688 11.746 -0.931 1087 HG LEU 44 HG LEU 44 13.065 10.645 -3.238 1088 1HD1 LEU 44 HD11 LEU 44 12.364 10.834 -0.306 1089 2HD1 LEU 44 HD13 LEU 44 11.118 10.882 -1.555 1090 3HD1 LEU 44 HD12 LEU 44 12.156 9.465 -1.400 1091 1HD2 LEU 44 HD21 LEU 44 13.138 13.239 -1.679 1092 2HD2 LEU 44 HD23 LEU 44 13.225 12.998 -3.424 1093 3HD2 LEU 44 HD22 LEU 44 11.700 12.764 -2.576 1094 H GLU 45 HN GLU 45 17.323 13.131 -2.626 1095 HA GLU 45 HA GLU 45 19.122 11.602 -0.840 1096 1HB GLU 45 HB2 GLU 45 21.049 11.803 -2.254 1097 2HB GLU 45 HB1 GLU 45 19.769 11.119 -3.251 1098 1HG GLU 45 HG2 GLU 45 19.255 13.472 -4.039 1099 2HG GLU 45 HG1 GLU 45 20.726 13.992 -3.216 1100 H GLU 46 HN GLU 46 17.417 14.212 -1.108 1101 HA GLU 46 HA GLU 46 19.463 16.281 -0.627 1102 1HB GLU 46 HB2 GLU 46 17.346 16.728 -1.908 1103 2HB GLU 46 HB1 GLU 46 16.447 16.484 -0.411 1104 1HG GLU 46 HG2 GLU 46 17.594 18.345 0.647 1105 2HG GLU 46 HG1 GLU 46 18.655 18.532 -0.751 1106 H ILE 47 HN ILE 47 17.755 13.988 1.237 1107 HA ILE 47 HA ILE 47 17.505 15.558 3.667 1108 HB ILE 47 HB ILE 47 17.574 12.551 3.262 1109 1HG1 ILE 47 HG12 ILE 47 15.197 14.376 3.703 1110 2HG1 ILE 47 HG11 ILE 47 15.737 13.875 2.099 1111 1HG2 ILE 47 HG21 ILE 47 16.725 14.255 5.626 1112 2HG2 ILE 47 HG23 ILE 47 16.418 12.525 5.483 1113 3HG2 ILE 47 HG22 ILE 47 18.074 13.119 5.584 1114 1HD1 ILE 47 HD12 ILE 47 14.959 11.985 4.340 1115 2HD1 ILE 47 HD11 ILE 47 13.932 12.406 2.969 1116 3HD1 ILE 47 HD13 ILE 47 15.433 11.519 2.707 1117 H LYS 48 HN LYS 48 19.092 16.031 5.109 1118 HA LYS 48 HA LYS 48 21.435 14.242 5.379 1119 1HB LYS 48 HB2 LYS 48 22.058 15.881 3.599 1120 2HB LYS 48 HB1 LYS 48 21.752 17.192 4.738 1121 1HG LYS 48 HG2 LYS 48 23.470 16.279 6.260 1122 2HG LYS 48 HG1 LYS 48 23.779 14.969 5.124 1123 1HD LYS 48 HD2 LYS 48 24.434 16.626 3.404 1124 2HD LYS 48 HD1 LYS 48 24.152 17.926 4.565 1125 1HE LYS 48 HE2 LYS 48 25.897 17.095 6.018 1126 2HE LYS 48 HE1 LYS 48 26.093 15.646 5.034 1127 1HZ LYS 48 HZ2 LYS 48 26.450 17.522 3.198 1128 2HZ LYS 48 HZ1 LYS 48 27.032 18.354 4.559 1129 3HZ LYS 48 HZ3 LYS 48 27.723 16.871 4.114 1130 H GLU 49 HN GLU 49 19.928 17.321 6.387 1131 HA GLU 49 HA GLU 49 21.185 17.133 9.039 1132 1HB GLU 49 HB2 GLU 49 19.228 19.088 7.807 1133 2HB GLU 49 HB1 GLU 49 19.805 19.210 9.472 1134 1HG GLU 49 HG2 GLU 49 22.118 19.362 8.699 1135 2HG GLU 49 HG1 GLU 49 21.600 19.138 7.028 1136 H GLN 50 HN GLN 50 20.064 16.784 10.981 1137 HA GLN 50 HA GLN 50 17.866 14.922 10.850 1138 1HB GLN 50 HB2 GLN 50 17.980 14.894 13.258 1139 2HB GLN 50 HB1 GLN 50 19.632 14.993 12.657 1140 1HG GLN 50 HG2 GLN 50 17.972 17.318 13.699 1141 2HG GLN 50 HG1 GLN 50 19.329 16.554 14.516 1142 1HE2 GLN 50 HE22 GLN 50 21.709 17.871 12.046 1143 2HE2 GLN 50 HE21 GLN 50 21.343 16.380 12.770 1144 H GLU 51 HN GLU 51 18.088 18.383 11.245 1145 HA GLU 51 HA GLU 51 15.553 18.895 12.417 1146 1HB GLU 51 HB2 GLU 51 17.320 20.608 12.130 1147 2HB GLU 51 HB1 GLU 51 17.062 20.569 10.387 1148 1HG GLU 51 HG2 GLU 51 14.767 21.341 10.663 1149 2HG GLU 51 HG1 GLU 51 14.926 21.273 12.418 1150 H VAL 52 HN VAL 52 16.467 18.431 9.010 1151 HA VAL 52 HA VAL 52 13.931 19.090 7.881 1152 HB VAL 52 HB VAL 52 16.126 17.221 6.952 1153 1HG1 VAL 52 HG11 VAL 52 13.563 18.084 5.594 1154 2HG1 VAL 52 HG13 VAL 52 14.967 17.519 4.689 1155 3HG1 VAL 52 HG12 VAL 52 14.166 16.444 5.832 1156 1HG2 VAL 52 HG21 VAL 52 16.624 19.670 7.126 1157 2HG2 VAL 52 HG23 VAL 52 16.699 19.064 5.470 1158 3HG2 VAL 52 HG22 VAL 52 15.292 19.982 6.012 1159 H VAL 53 HN VAL 53 15.233 15.976 9.046 1160 HA VAL 53 HA VAL 53 13.024 14.363 8.270 1161 HB VAL 53 HB VAL 53 14.980 14.087 10.566 1162 1HG1 VAL 53 HG11 VAL 53 12.762 12.265 9.620 1163 2HG1 VAL 53 HG13 VAL 53 14.184 11.627 10.448 1164 3HG1 VAL 53 HG12 VAL 53 13.129 12.780 11.268 1165 1HG2 VAL 53 HG22 VAL 53 15.858 13.965 8.225 1166 2HG2 VAL 53 HG21 VAL 53 16.036 12.444 9.102 1167 3HG2 VAL 53 HG23 VAL 53 14.748 12.633 7.913 1168 H ASP 54 HN ASP 54 13.567 16.279 11.221 1169 HA ASP 54 HA ASP 54 11.298 15.368 12.672 1170 1HB ASP 54 HB2 ASP 54 13.033 16.760 13.708 1171 2HB ASP 54 HB1 ASP 54 12.584 18.115 12.671 1172 H LYS 55 HN LYS 55 11.610 18.082 10.374 1173 HA LYS 55 HA LYS 55 8.927 19.008 10.600 1174 1HB LYS 55 HB2 LYS 55 10.694 20.266 9.424 1175 2HB LYS 55 HB1 LYS 55 10.746 19.020 8.175 1176 1HG LYS 55 HG2 LYS 55 8.480 19.507 7.499 1177 2HG LYS 55 HG1 LYS 55 8.244 20.583 8.875 1178 1HD LYS 55 HD2 LYS 55 8.672 21.949 6.918 1179 2HD LYS 55 HD1 LYS 55 10.084 22.039 7.971 1180 1HE LYS 55 HE2 LYS 55 11.350 20.588 6.587 1181 2HE LYS 55 HE1 LYS 55 9.916 20.015 5.734 1182 1HZ LYS 55 HZ1 LYS 55 10.978 22.786 5.630 1183 2HZ LYS 55 HZ3 LYS 55 11.213 21.608 4.432 1184 3HZ LYS 55 HZ2 LYS 55 9.649 22.186 4.759 1185 H VAL 56 HN VAL 56 10.361 16.643 8.333 1186 HA VAL 56 HA VAL 56 7.842 16.032 7.062 1187 HB VAL 56 HB VAL 56 10.471 14.531 7.207 1188 1HG1 VAL 56 HG11 VAL 56 7.895 13.892 5.763 1189 2HG1 VAL 56 HG13 VAL 56 9.452 13.308 5.173 1190 3HG1 VAL 56 HG12 VAL 56 8.879 12.829 6.772 1191 1HG2 VAL 56 HG22 VAL 56 10.398 16.728 5.990 1192 2HG2 VAL 56 HG21 VAL 56 10.777 15.359 4.943 1193 3HG2 VAL 56 HG23 VAL 56 9.155 16.052 4.937 1194 H MET 57 HN MET 57 9.684 14.542 9.712 1195 HA MET 57 HA MET 57 8.028 12.262 10.081 1196 1HB MET 57 HB2 MET 57 10.256 12.628 11.169 1197 2HB MET 57 HB1 MET 57 9.501 13.816 12.228 1198 1HG MET 57 HG2 MET 57 9.587 11.693 13.401 1199 2HG MET 57 HG1 MET 57 7.906 12.032 12.997 1200 1HE MET 57 HE2 MET 57 7.984 9.647 13.852 1201 2HE MET 57 HE1 MET 57 6.703 9.565 12.647 1202 3HE MET 57 HE3 MET 57 7.914 8.279 12.743 1203 H GLU 58 HN GLU 58 7.851 15.495 11.585 1204 HA GLU 58 HA GLU 58 5.620 14.960 13.259 1205 1HB GLU 58 HB2 GLU 58 7.036 17.004 13.412 1206 2HB GLU 58 HB1 GLU 58 6.326 17.580 11.903 1207 1HG GLU 58 HG2 GLU 58 4.096 17.588 12.925 1208 2HG GLU 58 HG1 GLU 58 4.764 16.942 14.425 1209 H THR 59 HN THR 59 5.760 16.045 9.877 1210 HA THR 59 HA THR 59 2.962 16.522 9.567 1211 HB THR 59 HB THR 59 4.975 15.603 7.491 1212 HG1 THR 59 HG1 THR 59 5.054 17.875 7.081 1213 1HG2 THR 59 HG21 THR 59 2.222 16.840 7.312 1214 2HG2 THR 59 HG23 THR 59 3.362 16.847 5.964 1215 3HG2 THR 59 HG22 THR 59 2.769 15.317 6.608 1216 H LEU 60 HN LEU 60 4.914 13.583 9.135 1217 HA LEU 60 HA LEU 60 2.604 12.008 8.270 1218 1HB LEU 60 HB2 LEU 60 5.077 11.632 7.627 1219 2HB LEU 60 HB1 LEU 60 5.255 10.917 9.228 1220 HG LEU 60 HG LEU 60 3.109 9.514 8.488 1221 1HD1 LEU 60 HD13 LEU 60 2.813 10.717 6.343 1222 2HD1 LEU 60 HD12 LEU 60 4.417 10.194 5.836 1223 3HD1 LEU 60 HD11 LEU 60 3.138 9.004 6.082 1224 1HD2 LEU 60 HD22 LEU 60 5.926 8.989 7.487 1225 2HD2 LEU 60 HD21 LEU 60 5.262 8.508 9.048 1226 3HD2 LEU 60 HD23 LEU 60 4.648 7.776 7.566 1227 H ASP 61 HN ASP 61 3.897 12.986 11.294 1228 HA ASP 61 HA ASP 61 3.004 10.638 12.786 1229 1HB ASP 61 HB2 ASP 61 4.870 12.164 13.528 1230 2HB ASP 61 HB1 ASP 61 3.653 13.398 13.855 1231 H GLU 62 HN GLU 62 0.794 10.340 12.484 1232 HA GLU 62 HA GLU 62 -1.072 12.594 12.743 1233 1HB GLU 62 HB2 GLU 62 -1.469 10.654 11.189 1234 2HB GLU 62 HB1 GLU 62 -1.683 9.625 12.605 1235 1HG GLU 62 HG2 GLU 62 -3.534 11.072 13.374 1236 2HG GLU 62 HG1 GLU 62 -3.324 12.092 11.951 1237 H ASP 63 HN ASP 63 0.191 10.003 14.738 1238 HA ASP 63 HA ASP 63 -1.819 10.449 16.852 1239 1HB ASP 63 HB2 ASP 63 0.628 8.666 16.673 1240 2HB ASP 63 HB1 ASP 63 -0.442 8.729 18.074 1241 H GLY 64 HN GLY 64 1.092 11.872 15.893 1242 1HA GLY 64 HA2 GLY 64 2.479 13.444 16.946 1243 2HA GLY 64 HA1 GLY 64 1.178 13.654 18.119 1244 H ASP 65 HN ASP 65 2.296 10.428 17.777 1245 HA ASP 65 HA ASP 65 3.470 10.557 20.490 1246 1HB ASP 65 HB2 ASP 65 3.448 8.094 20.360 1247 2HB ASP 65 HB1 ASP 65 1.864 8.765 19.973 1248 H GLY 66 HN GLY 66 4.610 10.921 17.372 1249 1HA GLY 66 HA2 GLY 66 6.818 11.048 16.573 1250 2HA GLY 66 HA1 GLY 66 7.361 10.772 18.227 1251 H GLU 67 HN GLU 67 5.227 8.526 16.554 1252 HA GLU 67 HA GLU 67 7.514 6.622 16.188 1253 1HB GLU 67 HB2 GLU 67 4.834 6.015 17.472 1254 2HB GLU 67 HB1 GLU 67 6.072 4.818 17.092 1255 1HG GLU 67 HG2 GLU 67 7.658 5.973 18.583 1256 2HG GLU 67 HG1 GLU 67 6.426 7.179 18.964 1257 H CYS 68 HN CYS 68 7.232 5.163 14.447 1258 HA CYS 68 HA CYS 68 5.032 5.894 12.550 1259 1HB CYS 68 HB2 CYS 68 7.540 6.029 11.910 1260 2HB CYS 68 HB1 CYS 68 7.481 4.268 11.858 1261 HG CYS 68 HG CYS 68 6.606 5.921 9.619 1262 H ASP 69 HN ASP 69 3.348 4.509 12.629 1263 HA ASP 69 HA ASP 69 3.727 1.724 13.550 1264 1HB ASP 69 HB2 ASP 69 1.275 3.345 12.807 1265 2HB ASP 69 HB1 ASP 69 1.211 1.646 13.277 1266 H PHE 70 HN PHE 70 2.592 -0.020 12.228 1267 HA PHE 70 HA PHE 70 3.698 -0.166 9.608 1268 1HB PHE 70 HB2 PHE 70 3.030 -2.159 10.901 1269 2HB PHE 70 HB1 PHE 70 1.337 -1.676 10.775 1270 HD1 PHE 70 HD1 PHE 70 0.156 -1.748 8.629 1271 HD2 PHE 70 HD2 PHE 70 4.225 -3.077 8.986 1272 HE1 PHE 70 HE1 PHE 70 -0.026 -2.889 6.436 1273 HE2 PHE 70 HE2 PHE 70 4.045 -4.217 6.791 1274 HZ PHE 70 HZ PHE 70 1.918 -4.123 5.516 1275 H GLN 71 HN GLN 71 0.379 0.574 10.690 1276 HA GLN 71 HA GLN 71 -0.767 0.937 8.103 1277 1HB GLN 71 HB2 GLN 71 -2.090 0.806 10.198 1278 2HB GLN 71 HB1 GLN 71 -1.432 2.359 10.704 1279 1HG GLN 71 HG2 GLN 71 -2.438 3.431 8.710 1280 2HG GLN 71 HG1 GLN 71 -3.113 1.873 8.227 1281 1HE2 GLN 71 HE22 GLN 71 -4.747 2.424 11.801 1282 2HE2 GLN 71 HE21 GLN 71 -3.190 1.801 11.536 1283 H GLU 72 HN GLU 72 0.776 3.220 10.333 1284 HA GLU 72 HA GLU 72 0.514 5.553 8.719 1285 1HB GLU 72 HB2 GLU 72 2.528 4.775 10.845 1286 2HB GLU 72 HB1 GLU 72 2.447 6.384 10.125 1287 1HG GLU 72 HG2 GLU 72 0.102 6.603 10.847 1288 2HG GLU 72 HG1 GLU 72 0.169 4.993 11.563 1289 H PHE 73 HN PHE 73 3.025 3.058 8.886 1290 HA PHE 73 HA PHE 73 4.937 4.290 7.185 1291 1HB PHE 73 HB2 PHE 73 5.517 2.320 8.469 1292 2HB PHE 73 HB1 PHE 73 4.271 1.370 7.660 1293 HD1 PHE 73 HD2 PHE 73 7.249 3.499 6.834 1294 HD2 PHE 73 HD1 PHE 73 4.909 0.035 5.843 1295 HE1 PHE 73 HE2 PHE 73 8.867 2.914 5.049 1296 HE2 PHE 73 HE1 PHE 73 6.527 -0.549 4.058 1297 HZ PHE 73 HZ PHE 73 8.507 0.891 3.662 1298 H MET 74 HN MET 74 2.139 2.236 6.414 1299 HA MET 74 HA MET 74 2.621 1.993 3.619 1300 1HB MET 74 HB2 MET 74 0.935 0.620 4.693 1301 2HB MET 74 HB1 MET 74 0.013 2.049 5.162 1302 1HG MET 74 HG2 MET 74 -0.557 2.550 2.903 1303 2HG MET 74 HG1 MET 74 0.636 1.415 2.272 1304 1HE MET 74 HE2 MET 74 0.645 -0.994 2.588 1305 2HE MET 74 HE1 MET 74 -0.819 -1.939 2.338 1306 3HE MET 74 HE3 MET 74 -0.331 -0.725 1.146 1307 H ALA 75 HN ALA 75 1.013 4.534 5.502 1308 HA ALA 75 HA ALA 75 -0.081 6.013 3.343 1309 1HB ALA 75 HB3 ALA 75 -0.406 6.381 5.867 1310 2HB ALA 75 HB2 ALA 75 1.108 7.284 5.817 1311 3HB ALA 75 HB1 ALA 75 -0.275 7.830 4.869 1312 H PHE 76 HN PHE 76 3.193 6.106 4.756 1313 HA PHE 76 HA PHE 76 4.140 8.340 3.258 1314 1HB PHE 76 HB2 PHE 76 5.420 7.359 5.122 1315 2HB PHE 76 HB1 PHE 76 5.663 5.883 4.185 1316 HD1 PHE 76 HD1 PHE 76 6.563 9.438 4.519 1317 HD2 PHE 76 HD2 PHE 76 7.163 5.832 2.264 1318 HE1 PHE 76 HE1 PHE 76 8.543 10.453 3.424 1319 HE2 PHE 76 HE2 PHE 76 9.144 6.846 1.170 1320 HZ PHE 76 HZ PHE 76 9.833 9.156 1.749 1321 H VAL 77 HN VAL 77 4.238 4.861 2.549 1322 HA VAL 77 HA VAL 77 5.464 5.060 -0.013 1323 HB VAL 77 HB VAL 77 3.509 3.001 1.050 1324 1HG1 VAL 77 HG12 VAL 77 5.274 3.095 -1.400 1325 2HG1 VAL 77 HG11 VAL 77 4.756 1.563 -0.696 1326 3HG1 VAL 77 HG13 VAL 77 3.556 2.705 -1.301 1327 1HG2 VAL 77 HG21 VAL 77 6.527 3.247 1.086 1328 2HG2 VAL 77 HG23 VAL 77 5.441 3.068 2.464 1329 3HG2 VAL 77 HG22 VAL 77 5.697 1.715 1.362 1330 H SER 78 HN SER 78 2.067 5.232 0.995 1331 HA SER 78 HA SER 78 0.858 5.146 -1.565 1332 1HB SER 78 HB2 SER 78 -0.341 5.099 0.655 1333 2HB SER 78 HB1 SER 78 -0.071 6.836 0.771 1334 HG SER 78 HG SER 78 -1.747 5.372 -0.908 1335 H MET 79 HN MET 79 2.222 7.924 0.210 1336 HA MET 79 HA MET 79 1.337 9.947 -1.582 1337 1HB MET 79 HB2 MET 79 3.793 9.751 0.173 1338 2HB MET 79 HB1 MET 79 3.392 11.202 -0.747 1339 1HG MET 79 HG2 MET 79 1.238 11.371 0.400 1340 2HG MET 79 HG1 MET 79 1.566 9.876 1.279 1341 1HE MET 79 HE1 MET 79 0.872 11.432 3.337 1342 2HE MET 79 HE3 MET 79 1.782 12.855 3.861 1343 3HE MET 79 HE2 MET 79 0.854 12.901 2.364 1344 H VAL 80 HN VAL 80 4.237 7.881 -1.684 1345 HA VAL 80 HA VAL 80 5.386 9.205 -3.969 1346 HB VAL 80 HB VAL 80 5.776 6.385 -2.925 1347 1HG1 VAL 80 HG11 VAL 80 7.219 8.001 -5.038 1348 2HG1 VAL 80 HG13 VAL 80 7.959 6.614 -4.237 1349 3HG1 VAL 80 HG12 VAL 80 6.500 6.397 -5.205 1350 1HG2 VAL 80 HG22 VAL 80 6.380 8.285 -1.389 1351 2HG2 VAL 80 HG21 VAL 80 7.760 7.296 -1.863 1352 3HG2 VAL 80 HG23 VAL 80 7.498 8.864 -2.624 1353 H THR 81 HN THR 81 3.219 6.399 -3.624 1354 HA THR 81 HA THR 81 3.233 5.705 -6.414 1355 HB THR 81 HB THR 81 1.177 4.421 -5.860 1356 HG1 THR 81 HG1 THR 81 0.057 5.303 -4.327 1357 1HG2 THR 81 HG23 THR 81 3.439 4.228 -3.855 1358 2HG2 THR 81 HG22 THR 81 2.236 2.970 -4.140 1359 3HG2 THR 81 HG21 THR 81 3.361 3.423 -5.422 1360 H THR 82 HN THR 82 1.099 7.818 -4.486 1361 HA THR 82 HA THR 82 -0.826 8.299 -6.526 1362 HB THR 82 HB THR 82 -1.235 10.465 -5.298 1363 HG1 THR 82 HG1 THR 82 0.093 10.182 -3.159 1364 1HG2 THR 82 HG23 THR 82 -1.063 7.834 -3.833 1365 2HG2 THR 82 HG22 THR 82 -1.764 9.270 -3.087 1366 3HG2 THR 82 HG21 THR 82 -2.484 8.598 -4.549 1367 H ALA 83 HN ALA 83 2.276 9.857 -5.835 1368 HA ALA 83 HA ALA 83 2.062 11.967 -7.737 1369 1HB ALA 83 HB3 ALA 83 3.814 11.878 -6.000 1370 2HB ALA 83 HB2 ALA 83 4.541 10.486 -6.805 1371 3HB ALA 83 HB1 ALA 83 4.524 12.058 -7.605 1372 H CYS 84 HN CYS 84 2.846 8.559 -8.115 1373 HA CYS 84 HA CYS 84 4.032 8.766 -10.722 1374 1HB CYS 84 HB2 CYS 84 3.998 6.430 -10.760 1375 2HB CYS 84 HB1 CYS 84 3.968 6.754 -9.031 1376 HG CYS 84 HG CYS 84 2.050 5.050 -9.537 1377 H HIS 85 HN HIS 85 3.117 8.768 -12.749 1378 HA HIS 85 HA HIS 85 0.131 9.013 -12.890 1379 1HB HIS 85 HB2 HIS 85 1.713 10.926 -13.664 1380 2HB HIS 85 HB1 HIS 85 2.067 9.886 -15.043 1381 HD1 HIS 85 HD1 HIS 85 -0.352 8.881 -16.160 1382 HD2 HIS 85 HD2 HIS 85 -0.432 12.566 -14.206 1383 HE1 HIS 85 HE1 HIS 85 -2.439 10.074 -16.964 1384 HE2 HIS 85 HE2 HIS 85 -2.498 12.316 -15.780 1385 H GLU 86 HN GLU 86 1.839 6.511 -12.920 1386 HA GLU 86 HA GLU 86 1.593 4.427 -13.970 1387 1HB GLU 86 HB2 GLU 86 -0.708 5.565 -14.706 1388 2HB GLU 86 HB1 GLU 86 0.072 5.619 -16.285 1389 1HG GLU 86 HG2 GLU 86 -0.182 3.099 -14.610 1390 2HG GLU 86 HG1 GLU 86 -1.288 3.544 -15.909 1391 H PHE 87 HN PHE 87 2.512 7.289 -15.746 1392 HA PHE 87 HA PHE 87 4.011 5.729 -17.755 1393 1HB PHE 87 HB2 PHE 87 2.954 7.804 -18.502 1394 2HB PHE 87 HB1 PHE 87 3.820 8.718 -17.264 1395 HD1 PHE 87 HD1 PHE 87 4.127 6.905 -20.458 1396 HD2 PHE 87 HD2 PHE 87 6.213 9.142 -17.442 1397 HE1 PHE 87 HE1 PHE 87 6.074 7.140 -21.978 1398 HE2 PHE 87 HE2 PHE 87 8.158 9.376 -18.961 1399 HZ PHE 87 HZ PHE 87 8.090 8.374 -21.228 1400 H PHE 88 HN PHE 88 4.436 6.796 -14.606 1401 HA PHE 88 HA PHE 88 7.245 7.491 -14.676 1402 1HB PHE 88 HB2 PHE 88 5.551 8.046 -12.837 1403 2HB PHE 88 HB1 PHE 88 5.721 6.371 -12.317 1404 HD1 PHE 88 HD1 PHE 88 7.815 5.542 -11.359 1405 HD2 PHE 88 HD2 PHE 88 7.388 9.631 -12.606 1406 HE1 PHE 88 HE1 PHE 88 9.872 6.140 -10.108 1407 HE2 PHE 88 HE2 PHE 88 9.445 10.227 -11.357 1408 HZ PHE 88 HZ PHE 88 10.684 8.485 -10.107 1409 H GLU 89 HN GLU 89 8.162 5.751 -15.926 1410 HA GLU 89 HA GLU 89 8.715 3.313 -14.309 1411 1HB GLU 89 HB2 GLU 89 6.855 2.717 -15.831 1412 2HB GLU 89 HB1 GLU 89 7.808 3.267 -17.209 1413 1HG GLU 89 HG2 GLU 89 9.526 1.562 -16.708 1414 2HG GLU 89 HG1 GLU 89 8.577 1.014 -15.324 1415 H HIS 90 HN HIS 90 9.496 3.602 -17.715 1416 HA HIS 90 HA HIS 90 12.298 3.311 -17.256 1417 1HB HIS 90 HB2 HIS 90 10.942 4.530 -19.681 1418 2HB HIS 90 HB1 HIS 90 12.574 3.862 -19.621 1419 HD1 HIS 90 HD1 HIS 90 12.753 1.237 -19.162 1420 HD2 HIS 90 HD2 HIS 90 8.925 2.624 -20.068 1421 HE1 HIS 90 HE1 HIS 90 11.384 -0.800 -19.793 1422 HE2 HIS 90 HE2 HIS 90 9.051 0.033 -20.339 1423 H GLU 91 HN GLU 91 13.931 4.835 -17.031 1424 HA GLU 91 HA GLU 91 13.283 7.718 -17.322 1425 1HB GLU 91 HB2 GLU 91 14.200 6.420 -14.737 1426 2HB GLU 91 HB1 GLU 91 14.311 8.153 -15.044 1427 1HG GLU 91 HG2 GLU 91 11.875 8.261 -15.384 1428 2HG GLU 91 HG1 GLU 91 11.749 6.525 -15.102 No H/Q in entry = 1428
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