NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25875 | 2kct | 16096 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 43 1H MET 43 -32.057 11.532 18.096 2 H2 MET 43 2H MET 43 -31.254 11.169 16.655 3 H3 MET 43 3H MET 43 -32.144 12.598 16.785 4 HA MET 43 HA MET 43 -29.816 13.046 16.929 5 HB2 MET 43 2HB MET 43 -31.302 13.380 19.572 6 HB3 MET 43 1HB MET 43 -29.796 14.207 19.184 7 HG2 MET 43 2HG MET 43 -31.709 15.683 18.869 8 HG3 MET 43 1HG MET 43 -30.902 15.379 17.329 9 HE1 MET 43 3HE MET 43 -34.695 15.723 16.283 10 HE2 MET 43 1HE MET 43 -33.060 16.320 16.005 11 HE3 MET 43 2HE MET 43 -33.867 16.635 17.545 12 H ALA 44 H ALA 44 -28.007 11.885 17.060 13 HA ALA 44 HA ALA 44 -27.424 10.229 19.437 14 HB1 ALA 44 3HB ALA 44 -28.376 8.684 17.751 15 HB2 ALA 44 1HB ALA 44 -26.662 8.355 18.016 16 HB3 ALA 44 2HB ALA 44 -27.182 9.220 16.568 17 H THR 45 H THR 45 -25.116 9.628 19.569 18 HA THR 45 HA THR 45 -23.354 11.748 18.505 19 HB THR 45 HB THR 45 -21.789 11.106 20.337 20 HG1 THR 45 HG1 THR 45 -23.817 9.435 21.405 21 HG21 THR 45 3HG2 THR 45 -23.109 11.914 22.246 22 HG22 THR 45 1HG2 THR 45 -24.609 11.582 21.376 23 HG23 THR 45 2HG2 THR 45 -23.513 12.839 20.799 24 HA PRO 46 HA PRO 46 -22.043 8.232 15.845 25 HB2 PRO 46 2HB PRO 46 -21.042 9.634 13.786 26 HB3 PRO 46 1HB PRO 46 -22.783 9.641 14.109 27 HG2 PRO 46 2HG PRO 46 -20.711 11.703 14.876 28 HG3 PRO 46 1HG PRO 46 -22.295 11.958 14.110 29 HD2 PRO 46 2HD PRO 46 -21.881 12.238 16.816 30 HD3 PRO 46 1HD PRO 46 -23.447 11.758 16.123 31 H GLN 47 H GLN 47 -19.917 7.770 14.623 32 HA GLN 47 HA GLN 47 -17.634 7.851 16.261 33 HB2 GLN 47 2HB GLN 47 -16.389 6.937 14.343 34 HB3 GLN 47 1HB GLN 47 -17.931 6.117 14.523 35 HG2 GLN 47 2HG GLN 47 -17.406 8.314 12.487 36 HG3 GLN 47 1HG GLN 47 -17.230 6.593 12.150 37 HE21 GLN 47 1HE2 GLN 47 -19.045 8.651 11.002 38 HE22 GLN 47 2HE2 GLN 47 -20.633 7.983 11.170 39 H ASP 48 H ASP 48 -15.558 8.837 15.743 40 HA ASP 48 HA ASP 48 -15.651 11.645 15.667 41 HB2 ASP 48 2HB ASP 48 -13.891 10.323 16.809 42 HB3 ASP 48 1HB ASP 48 -13.287 9.759 15.258 43 H LYS 49 H LYS 49 -15.011 13.165 14.093 44 HA LYS 49 HA LYS 49 -15.791 12.670 11.429 45 HB2 LYS 49 2HB LYS 49 -14.156 14.983 12.546 46 HB3 LYS 49 1HB LYS 49 -14.923 14.965 10.957 47 HG2 LYS 49 2HG LYS 49 -17.149 14.829 12.037 48 HG3 LYS 49 1HG LYS 49 -16.374 14.848 13.626 49 HD2 LYS 49 2HD LYS 49 -15.389 17.080 13.077 50 HD3 LYS 49 1HD LYS 49 -16.268 17.067 11.545 51 HE2 LYS 49 2HE LYS 49 -18.408 17.045 12.774 52 HE3 LYS 49 1HE LYS 49 -17.542 17.011 14.310 53 HZ1 LYS 49 3HZ LYS 49 -16.556 19.157 13.733 54 HZ2 LYS 49 1HZ LYS 49 -18.244 19.234 13.794 55 HZ3 LYS 49 2HZ LYS 49 -17.456 19.187 12.303 56 H LEU 50 H LEU 50 -12.565 12.878 12.910 57 HA LEU 50 HA LEU 50 -11.182 12.565 10.342 58 HB2 LEU 50 2HB LEU 50 -10.121 12.927 13.179 59 HB3 LEU 50 1HB LEU 50 -9.110 12.859 11.740 60 HG LEU 50 HG LEU 50 -11.164 15.032 12.361 61 HD11 LEU 50 1HD1 LEU 50 -8.128 15.179 12.422 62 HD12 LEU 50 2HD1 LEU 50 -9.199 15.176 13.826 63 HD13 LEU 50 3HD1 LEU 50 -9.245 16.523 12.693 64 HD21 LEU 50 3HD2 LEU 50 -10.254 16.219 10.404 65 HD22 LEU 50 1HD2 LEU 50 -10.968 14.675 9.938 66 HD23 LEU 50 2HD2 LEU 50 -9.213 14.842 10.036 67 H HIS 51 H HIS 51 -12.828 10.312 11.576 68 HA HIS 51 HA HIS 51 -11.074 8.256 12.407 69 HB2 HIS 51 2HB HIS 51 -12.903 6.685 12.040 70 HB3 HIS 51 1HB HIS 51 -13.537 8.141 12.774 71 HD1 HIS 51 HD1 HIS 51 -14.550 5.752 10.475 72 HD2 HIS 51 HD2 HIS 51 -14.562 9.912 10.362 73 HE1 HIS 51 HE1 HIS 51 -16.275 6.380 8.751 74 HE2 HIS 51 HE2 HIS 51 -16.145 8.883 8.594 75 H THR 52 H THR 52 -9.292 8.059 11.176 76 HA THR 52 HA THR 52 -9.178 8.052 8.344 77 HB THR 52 HB THR 52 -7.048 6.909 10.208 78 HG1 THR 52 HG1 THR 52 -7.888 9.584 9.774 79 HG21 THR 52 3HG2 THR 52 -6.803 8.462 7.594 80 HG22 THR 52 1HG2 THR 52 -6.593 6.714 7.760 81 HG23 THR 52 2HG2 THR 52 -5.471 7.818 8.553 82 H VAL 53 H VAL 53 -8.485 6.147 6.977 83 HA VAL 53 HA VAL 53 -10.251 3.900 7.728 84 HB VAL 53 HB VAL 53 -9.254 4.711 4.956 85 HG11 VAL 53 1HG1 VAL 53 -10.979 3.135 4.098 86 HG12 VAL 53 2HG1 VAL 53 -11.337 2.634 5.753 87 HG13 VAL 53 3HG1 VAL 53 -9.747 2.306 5.057 88 HG21 VAL 53 3HG2 VAL 53 -10.775 6.424 5.870 89 HG22 VAL 53 1HG2 VAL 53 -11.985 5.186 6.226 90 HG23 VAL 53 2HG2 VAL 53 -11.552 5.542 4.551 91 H ARG 54 H ARG 54 -9.060 2.421 8.718 92 HA ARG 54 HA ARG 54 -6.392 1.636 7.843 93 HB2 ARG 54 2HB ARG 54 -7.063 1.816 10.285 94 HB3 ARG 54 1HB ARG 54 -8.148 0.454 10.049 95 HG2 ARG 54 2HG ARG 54 -6.152 -0.383 11.059 96 HG3 ARG 54 1HG ARG 54 -6.161 -0.934 9.391 97 HD2 ARG 54 2HD ARG 54 -3.946 -0.235 9.879 98 HD3 ARG 54 1HD ARG 54 -4.637 0.991 8.825 99 HE ARG 54 HE ARG 54 -5.053 2.225 11.057 100 HH11 ARG 54 1HH1 ARG 54 -2.275 0.166 10.432 101 HH12 ARG 54 2HH1 ARG 54 -1.200 1.098 11.419 102 HH21 ARG 54 1HH2 ARG 54 -3.602 3.456 12.329 103 HH22 ARG 54 2HH2 ARG 54 -1.950 2.944 12.497 104 H LEU 55 H LEU 55 -6.139 0.108 6.296 105 HA LEU 55 HA LEU 55 -8.330 -1.812 5.671 106 HB2 LEU 55 2HB LEU 55 -7.918 0.311 4.110 107 HB3 LEU 55 1HB LEU 55 -6.567 -0.614 3.501 108 HG LEU 55 HG LEU 55 -9.481 -1.523 3.375 109 HD11 LEU 55 1HD1 LEU 55 -9.417 -0.957 0.991 110 HD12 LEU 55 2HD1 LEU 55 -7.772 -0.331 1.164 111 HD13 LEU 55 3HD1 LEU 55 -9.113 0.470 1.985 112 HD21 LEU 55 3HD2 LEU 55 -7.924 -3.427 3.316 113 HD22 LEU 55 1HD2 LEU 55 -7.050 -2.684 1.974 114 HD23 LEU 55 2HD2 LEU 55 -8.723 -3.209 1.764 115 H PHE 56 H PHE 56 -7.620 -3.897 5.011 116 HA PHE 56 HA PHE 56 -4.797 -4.578 5.615 117 HB2 PHE 56 2HB PHE 56 -7.294 -6.211 6.308 118 HB3 PHE 56 1HB PHE 56 -5.634 -6.625 6.717 119 HD1 PHE 56 HD2 PHE 56 -8.440 -4.301 7.483 120 HD2 PHE 56 HD1 PHE 56 -4.571 -5.676 8.682 121 HE1 PHE 56 HE2 PHE 56 -8.690 -3.148 9.645 122 HE2 PHE 56 HE1 PHE 56 -4.836 -4.520 10.837 123 HZ PHE 56 HZ PHE 56 -6.890 -3.258 11.321 124 H GLY 57 H GLY 57 -3.850 -6.094 4.212 125 HA2 GLY 57 2HA GLY 57 -5.175 -7.987 2.603 126 HA3 GLY 57 1HA GLY 57 -4.898 -6.546 1.623 127 H THR 58 H THR 58 -3.526 -8.024 0.327 128 HA THR 58 HA THR 58 -0.767 -8.227 1.415 129 HB THR 58 HB THR 58 -2.015 -10.197 -0.566 130 HG1 THR 58 HG1 THR 58 -1.984 -10.167 2.255 131 HG21 THR 58 3HG2 THR 58 -0.098 -11.628 0.019 132 HG22 THR 58 1HG2 THR 58 0.503 -10.403 1.137 133 HG23 THR 58 2HG2 THR 58 0.479 -10.078 -0.599 134 H VAL 59 H VAL 59 0.920 -7.724 -0.029 135 HA VAL 59 HA VAL 59 0.273 -5.866 -2.164 136 HB VAL 59 HB VAL 59 3.004 -6.870 -1.211 137 HG11 VAL 59 1HG1 VAL 59 3.931 -4.849 -2.338 138 HG12 VAL 59 2HG1 VAL 59 2.330 -4.484 -2.986 139 HG13 VAL 59 3HG1 VAL 59 3.168 -5.955 -3.485 140 HG21 VAL 59 3HG2 VAL 59 3.157 -4.754 0.037 141 HG22 VAL 59 1HG2 VAL 59 1.782 -5.716 0.581 142 HG23 VAL 59 2HG2 VAL 59 1.523 -4.321 -0.471 143 H ALA 60 H ALA 60 0.284 -6.304 -4.298 144 HA ALA 60 HA ALA 60 0.936 -8.991 -5.282 145 HB1 ALA 60 3HB ALA 60 -0.314 -6.623 -6.718 146 HB2 ALA 60 1HB ALA 60 -1.189 -7.965 -5.981 147 HB3 ALA 60 2HB ALA 60 -0.141 -8.256 -7.367 148 H ALA 61 H ALA 61 2.336 -9.327 -7.071 149 HA ALA 61 HA ALA 61 4.578 -7.505 -7.441 150 HB1 ALA 61 3HB ALA 61 4.960 -9.944 -7.419 151 HB2 ALA 61 1HB ALA 61 5.443 -9.253 -8.971 152 HB3 ALA 61 2HB ALA 61 3.916 -10.134 -8.827 153 H ASP 62 H ASP 62 1.604 -8.409 -9.020 154 HA ASP 62 HA ASP 62 2.200 -7.274 -11.600 155 HB2 ASP 62 2HB ASP 62 0.661 -9.246 -11.253 156 HB3 ASP 62 1HB ASP 62 -0.469 -8.181 -10.424 157 H GLY 63 H GLY 63 2.391 -5.106 -11.700 158 HA2 GLY 63 2HA GLY 63 1.513 -2.959 -11.880 159 HA3 GLY 63 1HA GLY 63 0.185 -3.393 -10.819 160 H LEU 64 H LEU 64 3.226 -4.333 -9.522 161 HA LEU 64 HA LEU 64 3.195 -2.251 -7.524 162 HB2 LEU 64 2HB LEU 64 4.039 -4.689 -7.237 163 HB3 LEU 64 1HB LEU 64 5.520 -4.159 -8.013 164 HG LEU 64 HG LEU 64 4.455 -2.878 -5.445 165 HD11 LEU 64 1HD1 LEU 64 6.480 -5.133 -5.644 166 HD12 LEU 64 2HD1 LEU 64 4.841 -5.255 -4.999 167 HD13 LEU 64 3HD1 LEU 64 6.036 -4.261 -4.171 168 HD21 LEU 64 3HD2 LEU 64 7.249 -2.833 -6.655 169 HD22 LEU 64 1HD2 LEU 64 6.773 -2.090 -5.126 170 HD23 LEU 64 2HD2 LEU 64 6.102 -1.491 -6.639 171 H THR 65 H THR 65 3.372 -0.345 -8.530 172 HA THR 65 HA THR 65 5.679 0.258 -10.298 173 HB THR 65 HB THR 65 2.892 1.522 -10.291 174 HG1 THR 65 HG1 THR 65 2.900 -0.670 -10.999 175 HG21 THR 65 3HG2 THR 65 5.173 1.798 -12.288 176 HG22 THR 65 1HG2 THR 65 4.616 3.047 -11.160 177 HG23 THR 65 2HG2 THR 65 3.563 2.496 -12.461 178 H MET 66 H MET 66 7.084 1.709 -9.396 179 HA MET 66 HA MET 66 6.317 3.109 -6.915 180 HB2 MET 66 2HB MET 66 9.050 2.561 -8.153 181 HB3 MET 66 1HB MET 66 8.811 3.521 -6.695 182 HG2 MET 66 2HG MET 66 7.811 1.560 -5.583 183 HG3 MET 66 1HG MET 66 8.093 0.605 -7.039 184 HE1 MET 66 3HE MET 66 9.135 -0.097 -4.012 185 HE2 MET 66 1HE MET 66 10.737 -0.727 -4.376 186 HE3 MET 66 2HE MET 66 9.362 -1.183 -5.383 187 H LEU 67 H LEU 67 7.119 5.361 -6.640 188 HA LEU 67 HA LEU 67 6.141 7.020 -8.733 189 HB2 LEU 67 2HB LEU 67 7.675 7.751 -6.213 190 HB3 LEU 67 1HB LEU 67 6.905 8.917 -7.278 191 HG LEU 67 HG LEU 67 5.497 6.806 -5.596 192 HD11 LEU 67 1HD1 LEU 67 6.275 8.740 -4.294 193 HD12 LEU 67 2HD1 LEU 67 4.516 8.717 -4.406 194 HD13 LEU 67 3HD1 LEU 67 5.447 9.835 -5.405 195 HD21 LEU 67 3HD2 LEU 67 4.274 8.794 -7.541 196 HD22 LEU 67 1HD2 LEU 67 3.381 7.747 -6.435 197 HD23 LEU 67 2HD2 LEU 67 4.332 7.041 -7.738 198 H ASP 68 H ASP 68 7.150 7.703 -10.489 199 HA ASP 68 HA ASP 68 9.805 6.988 -11.166 200 HB2 ASP 68 2HB ASP 68 7.971 8.983 -12.567 201 HB3 ASP 68 1HB ASP 68 9.379 8.205 -13.280 202 H GLY 69 H GLY 69 11.361 7.893 -9.896 203 HA2 GLY 69 2HA GLY 69 13.013 9.432 -9.425 204 HA3 GLY 69 1HA GLY 69 12.166 10.618 -10.403 205 H ALA 70 H ALA 70 10.472 8.988 -7.815 206 HA ALA 70 HA ALA 70 10.802 11.233 -5.932 207 HB1 ALA 70 3HB ALA 70 8.089 10.347 -7.012 208 HB2 ALA 70 1HB ALA 70 8.884 11.887 -7.348 209 HB3 ALA 70 2HB ALA 70 8.341 11.515 -5.711 210 HA PRO 71 HA PRO 71 10.598 7.780 -3.026 211 HB2 PRO 71 2HB PRO 71 10.023 9.073 -0.678 212 HB3 PRO 71 1HB PRO 71 11.600 9.199 -1.470 213 HG2 PRO 71 2HG PRO 71 9.278 11.121 -1.540 214 HG3 PRO 71 1HG PRO 71 11.007 11.472 -1.333 215 HD2 PRO 71 2HD PRO 71 9.722 11.749 -3.737 216 HD3 PRO 71 1HD PRO 71 11.441 11.314 -3.613 217 H GLY 72 H GLY 72 8.929 6.411 -3.421 218 HA2 GLY 72 2HA GLY 72 6.869 5.972 -1.754 219 HA3 GLY 72 1HA GLY 72 6.143 7.083 -2.905 220 H VAL 73 H VAL 73 4.816 4.939 -2.929 221 HA VAL 73 HA VAL 73 5.526 3.381 -5.273 222 HB VAL 73 HB VAL 73 6.579 2.096 -3.425 223 HG11 VAL 73 1HG1 VAL 73 5.228 0.977 -1.669 224 HG12 VAL 73 2HG1 VAL 73 3.786 1.825 -2.238 225 HG13 VAL 73 3HG1 VAL 73 5.127 2.737 -1.544 226 HG21 VAL 73 3HG2 VAL 73 4.156 0.659 -4.585 227 HG22 VAL 73 1HG2 VAL 73 5.604 -0.118 -3.932 228 HG23 VAL 73 2HG2 VAL 73 5.712 0.870 -5.390 229 H ARG 74 H ARG 74 3.737 3.077 -6.452 230 HA ARG 74 HA ARG 74 1.083 2.825 -5.191 231 HB2 ARG 74 2HB ARG 74 1.242 4.409 -7.117 232 HB3 ARG 74 1HB ARG 74 1.837 3.105 -8.143 233 HG2 ARG 74 2HG ARG 74 -0.330 1.903 -7.827 234 HG3 ARG 74 1HG ARG 74 -0.923 3.263 -6.867 235 HD2 ARG 74 2HD ARG 74 -0.090 3.386 -9.796 236 HD3 ARG 74 1HD ARG 74 -1.752 3.333 -9.202 237 HE ARG 74 HE ARG 74 -0.085 5.521 -8.237 238 HH11 ARG 74 1HH1 ARG 74 -2.633 4.564 -10.453 239 HH12 ARG 74 2HH1 ARG 74 -3.061 6.198 -10.839 240 HH21 ARG 74 1HH2 ARG 74 -0.652 7.650 -8.758 241 HH22 ARG 74 2HH2 ARG 74 -1.951 7.944 -9.867 242 H PHE 75 H PHE 75 0.035 0.876 -5.265 243 HA PHE 75 HA PHE 75 0.917 -1.374 -6.869 244 HB2 PHE 75 2HB PHE 75 1.323 -2.883 -4.929 245 HB3 PHE 75 1HB PHE 75 2.477 -1.559 -4.944 246 HD1 PHE 75 HD2 PHE 75 2.070 0.427 -3.338 247 HD2 PHE 75 HD1 PHE 75 -0.019 -3.296 -2.978 248 HE1 PHE 75 HE2 PHE 75 1.490 0.969 -1.004 249 HE2 PHE 75 HE1 PHE 75 -0.596 -2.742 -0.653 250 HZ PHE 75 HZ PHE 75 0.156 -0.617 0.336 251 H ARG 76 H ARG 76 -0.642 -3.252 -6.545 252 HA ARG 76 HA ARG 76 -3.300 -2.226 -5.744 253 HB2 ARG 76 2HB ARG 76 -4.308 -4.013 -7.040 254 HB3 ARG 76 1HB ARG 76 -3.139 -3.178 -8.053 255 HG2 ARG 76 2HG ARG 76 -1.538 -5.025 -7.757 256 HG3 ARG 76 1HG ARG 76 -2.673 -5.843 -6.681 257 HD2 ARG 76 2HD ARG 76 -4.309 -5.775 -8.724 258 HD3 ARG 76 1HD ARG 76 -2.846 -5.460 -9.674 259 HE ARG 76 HE ARG 76 -2.491 -7.693 -7.929 260 HH11 ARG 76 1HH1 ARG 76 -3.976 -6.874 -11.010 261 HH12 ARG 76 2HH1 ARG 76 -3.974 -8.517 -11.558 262 HH21 ARG 76 1HH2 ARG 76 -2.505 -9.810 -8.659 263 HH22 ARG 76 2HH2 ARG 76 -3.137 -10.174 -10.237 264 H LEU 77 H LEU 77 -3.780 -2.633 -3.693 265 HA LEU 77 HA LEU 77 -2.687 -4.840 -2.198 266 HB2 LEU 77 2HB LEU 77 -3.284 -2.553 -1.216 267 HB3 LEU 77 1HB LEU 77 -4.977 -3.003 -1.373 268 HG LEU 77 HG LEU 77 -4.499 -5.005 0.126 269 HD11 LEU 77 1HD1 LEU 77 -2.439 -4.984 1.471 270 HD12 LEU 77 2HD1 LEU 77 -1.830 -3.616 0.535 271 HD13 LEU 77 3HD1 LEU 77 -2.092 -5.179 -0.246 272 HD21 LEU 77 3HD2 LEU 77 -4.519 -3.762 2.224 273 HD22 LEU 77 1HD2 LEU 77 -5.532 -2.947 1.035 274 HD23 LEU 77 2HD2 LEU 77 -3.930 -2.310 1.409 275 H GLU 78 H GLU 78 -3.381 -6.776 -2.666 276 HA GLU 78 HA GLU 78 -6.000 -7.396 -3.716 277 HB2 GLU 78 2HB GLU 78 -3.811 -9.288 -2.744 278 HB3 GLU 78 1HB GLU 78 -5.186 -9.706 -3.769 279 HG2 GLU 78 2HG GLU 78 -4.309 -8.212 -5.538 280 HG3 GLU 78 1HG GLU 78 -2.924 -7.828 -4.518 281 H ASP 79 H ASP 79 -7.660 -7.279 -2.391 282 HA ASP 79 HA ASP 79 -7.757 -7.560 0.401 283 HB2 ASP 79 2HB ASP 79 -9.507 -6.374 -0.731 284 HB3 ASP 79 1HB ASP 79 -9.834 -7.722 -1.812 285 H LYS 80 H LYS 80 -7.872 -9.339 1.709 286 HA LYS 80 HA LYS 80 -7.320 -11.923 0.597 287 HB2 LYS 80 2HB LYS 80 -7.860 -11.106 3.478 288 HB3 LYS 80 1HB LYS 80 -7.300 -12.700 2.980 289 HG2 LYS 80 2HG LYS 80 -5.254 -11.497 1.969 290 HG3 LYS 80 1HG LYS 80 -5.804 -10.063 2.837 291 HD2 LYS 80 2HD LYS 80 -4.095 -11.206 4.152 292 HD3 LYS 80 1HD LYS 80 -5.645 -11.331 4.983 293 HE2 LYS 80 2HE LYS 80 -5.917 -13.632 4.109 294 HE3 LYS 80 1HE LYS 80 -4.355 -13.508 3.298 295 HZ1 LYS 80 3HZ LYS 80 -3.333 -13.192 5.486 296 HZ2 LYS 80 1HZ LYS 80 -4.134 -14.675 5.359 297 HZ3 LYS 80 2HZ LYS 80 -4.844 -13.411 6.222 298 H ASP 81 H ASP 81 -10.223 -10.312 1.714 299 HA ASP 81 HA ASP 81 -11.871 -12.623 2.111 300 HB2 ASP 81 2HB ASP 81 -12.474 -10.454 3.093 301 HB3 ASP 81 1HB ASP 81 -12.587 -9.723 1.494 302 H ASN 82 H ASN 82 -11.433 -10.346 -0.559 303 HA ASN 82 HA ASN 82 -12.409 -12.318 -2.532 304 HB2 ASN 82 2HB ASN 82 -14.222 -10.651 -2.152 305 HB3 ASN 82 1HB ASN 82 -13.097 -9.329 -2.454 306 HD21 ASN 82 1HD2 ASN 82 -14.162 -8.494 -4.229 307 HD22 ASN 82 2HD2 ASN 82 -14.334 -9.328 -5.734 308 H THR 83 H THR 83 -10.536 -12.816 -3.497 309 HA THR 83 HA THR 83 -8.261 -11.073 -3.549 310 HB THR 83 HB THR 83 -7.131 -13.014 -4.696 311 HG1 THR 83 HG1 THR 83 -8.377 -14.967 -4.846 312 HG21 THR 83 3HG2 THR 83 -7.241 -14.560 -2.768 313 HG22 THR 83 1HG2 THR 83 -8.687 -13.740 -2.178 314 HG23 THR 83 2HG2 THR 83 -7.141 -12.885 -2.222 315 H SER 84 H SER 84 -10.878 -10.941 -5.500 316 HA SER 84 HA SER 84 -9.375 -10.155 -7.919 317 HB2 SER 84 2HB SER 84 -11.690 -10.088 -8.981 318 HB3 SER 84 1HB SER 84 -11.152 -11.685 -8.461 319 HG SER 84 HG SER 84 -12.516 -11.584 -6.739 320 H LYS 85 H LYS 85 -11.013 -8.974 -5.145 321 HA LYS 85 HA LYS 85 -11.422 -6.255 -6.036 322 HB2 LYS 85 2HB LYS 85 -12.764 -7.205 -4.145 323 HB3 LYS 85 1HB LYS 85 -11.294 -7.397 -3.198 324 HG2 LYS 85 2HG LYS 85 -10.999 -4.876 -3.310 325 HG3 LYS 85 1HG LYS 85 -12.602 -4.788 -4.048 326 HD2 LYS 85 2HD LYS 85 -13.591 -5.826 -2.030 327 HD3 LYS 85 1HD LYS 85 -11.990 -5.959 -1.305 328 HE2 LYS 85 2HE LYS 85 -13.068 -4.062 -0.319 329 HE3 LYS 85 1HE LYS 85 -11.835 -3.435 -1.412 330 HZ1 LYS 85 3HZ LYS 85 -13.616 -3.096 -3.070 331 HZ2 LYS 85 1HZ LYS 85 -13.858 -2.192 -1.659 332 HZ3 LYS 85 2HZ LYS 85 -14.757 -3.596 -1.926 333 H THR 86 H THR 86 -9.413 -5.761 -6.956 334 HA THR 86 HA THR 86 -7.074 -5.537 -5.146 335 HB THR 86 HB THR 86 -5.762 -5.313 -7.313 336 HG1 THR 86 HG1 THR 86 -7.903 -4.859 -8.503 337 HG21 THR 86 3HG2 THR 86 -5.815 -7.718 -7.870 338 HG22 THR 86 1HG2 THR 86 -7.336 -7.902 -7.002 339 HG23 THR 86 2HG2 THR 86 -5.863 -7.479 -6.121 340 H VAL 87 H VAL 87 -6.965 -3.600 -4.256 341 HA VAL 87 HA VAL 87 -8.128 -1.220 -5.585 342 HB VAL 87 HB VAL 87 -7.292 -1.609 -2.658 343 HG11 VAL 87 1HG1 VAL 87 -8.590 0.451 -2.190 344 HG12 VAL 87 2HG1 VAL 87 -8.924 0.639 -3.913 345 HG13 VAL 87 3HG1 VAL 87 -7.268 0.771 -3.318 346 HG21 VAL 87 3HG2 VAL 87 -9.167 -3.115 -3.229 347 HG22 VAL 87 1HG2 VAL 87 -10.094 -1.746 -3.852 348 HG23 VAL 87 2HG2 VAL 87 -9.699 -1.839 -2.133 349 H TRP 88 H TRP 88 -6.776 0.512 -6.180 350 HA TRP 88 HA TRP 88 -3.920 -0.072 -6.203 351 HB2 TRP 88 2HB TRP 88 -5.580 2.072 -7.589 352 HB3 TRP 88 1HB TRP 88 -3.820 1.997 -7.692 353 HD1 TRP 88 HD1 TRP 88 -6.919 0.473 -9.209 354 HE1 TRP 88 HE1 TRP 88 -6.239 -1.291 -10.952 355 HE3 TRP 88 HE3 TRP 88 -1.936 0.165 -8.153 356 HZ2 TRP 88 HZ2 TRP 88 -3.912 -2.645 -11.765 357 HZ3 TRP 88 HZ3 TRP 88 -0.552 -1.399 -9.450 358 HH2 TRP 88 HH2 TRP 88 -1.519 -2.778 -11.222 359 H VAL 89 H VAL 89 -3.105 0.322 -4.249 360 HA VAL 89 HA VAL 89 -3.777 2.694 -2.714 361 HB VAL 89 HB VAL 89 -1.859 0.408 -2.084 362 HG11 VAL 89 1HG1 VAL 89 -2.024 1.172 0.261 363 HG12 VAL 89 2HG1 VAL 89 -3.041 2.524 -0.245 364 HG13 VAL 89 3HG1 VAL 89 -1.360 2.441 -0.776 365 HG21 VAL 89 3HG2 VAL 89 -4.754 0.792 -1.234 366 HG22 VAL 89 1HG2 VAL 89 -3.682 -0.503 -0.692 367 HG23 VAL 89 2HG2 VAL 89 -4.163 -0.409 -2.387 368 H LEU 90 H LEU 90 -2.545 4.439 -2.619 369 HA LEU 90 HA LEU 90 0.146 4.484 -3.817 370 HB2 LEU 90 2HB LEU 90 -1.461 5.788 -5.161 371 HB3 LEU 90 1HB LEU 90 -1.949 6.699 -3.737 372 HG LEU 90 HG LEU 90 0.273 7.739 -3.595 373 HD11 LEU 90 1HD1 LEU 90 1.690 5.938 -4.400 374 HD12 LEU 90 2HD1 LEU 90 1.990 7.401 -5.331 375 HD13 LEU 90 3HD1 LEU 90 1.025 6.098 -6.029 376 HD21 LEU 90 3HD2 LEU 90 -1.399 8.877 -4.976 377 HD22 LEU 90 1HD2 LEU 90 -0.867 7.969 -6.396 378 HD23 LEU 90 2HD2 LEU 90 0.223 9.125 -5.621 379 H TYR 91 H TYR 91 1.576 4.617 -2.332 380 HA TYR 91 HA TYR 91 1.192 6.104 0.203 381 HB2 TYR 91 2HB TYR 91 1.543 3.733 0.708 382 HB3 TYR 91 1HB TYR 91 2.913 3.641 -0.396 383 HD1 TYR 91 HD1 TYR 91 1.802 5.356 2.770 384 HD2 TYR 91 HD2 TYR 91 5.115 3.932 0.474 385 HE1 TYR 91 HE1 TYR 91 3.326 5.906 4.618 386 HE2 TYR 91 HE2 TYR 91 6.638 4.480 2.322 387 HH TYR 91 HH TYR 91 6.730 5.935 4.255 388 H LYS 92 H LYS 92 2.462 7.888 0.377 389 HA LYS 92 HA LYS 92 4.873 8.176 -1.325 390 HB2 LYS 92 2HB LYS 92 3.113 10.281 0.017 391 HB3 LYS 92 1HB LYS 92 4.697 10.661 -0.645 392 HG2 LYS 92 2HG LYS 92 3.103 11.322 -2.276 393 HG3 LYS 92 1HG LYS 92 3.871 9.864 -2.890 394 HD2 LYS 92 2HD LYS 92 1.486 9.750 -3.354 395 HD3 LYS 92 1HD LYS 92 1.885 8.533 -2.141 396 HE2 LYS 92 2HE LYS 92 -0.218 9.679 -1.586 397 HE3 LYS 92 1HE LYS 92 1.010 10.010 -0.366 398 HZ1 LYS 92 3HZ LYS 92 -0.171 12.010 -0.949 399 HZ2 LYS 92 1HZ LYS 92 0.216 11.814 -2.583 400 HZ3 LYS 92 2HZ LYS 92 1.435 12.135 -1.455 401 H GLY 93 H GLY 93 6.824 8.784 -0.390 402 HA2 GLY 93 2HA GLY 93 8.112 9.580 1.538 403 HA3 GLY 93 1HA GLY 93 7.059 8.621 2.573 404 H ALA 94 H ALA 94 9.230 7.834 3.286 405 HA ALA 94 HA ALA 94 10.851 6.186 1.643 406 HB1 ALA 94 3HB ALA 94 10.622 6.229 4.676 407 HB2 ALA 94 1HB ALA 94 11.700 7.233 3.703 408 HB3 ALA 94 2HB ALA 94 11.927 5.486 3.746 409 H VAL 95 H VAL 95 10.151 4.383 0.753 410 HA VAL 95 HA VAL 95 8.117 2.649 1.914 411 HB VAL 95 HB VAL 95 9.715 2.361 -0.684 412 HG11 VAL 95 1HG1 VAL 95 7.205 0.888 0.204 413 HG12 VAL 95 2HG1 VAL 95 8.822 0.195 0.056 414 HG13 VAL 95 3HG1 VAL 95 7.965 0.756 -1.382 415 HG21 VAL 95 3HG2 VAL 95 7.697 3.224 -1.825 416 HG22 VAL 95 1HG2 VAL 95 8.360 4.411 -0.698 417 HG23 VAL 95 2HG2 VAL 95 6.921 3.486 -0.262 418 HA PRO 96 HA PRO 96 11.385 0.580 4.224 419 HB2 PRO 96 2HB PRO 96 9.913 -1.635 5.061 420 HB3 PRO 96 1HB PRO 96 9.850 -0.044 5.828 421 HG2 PRO 96 2HG PRO 96 7.988 -1.240 3.776 422 HG3 PRO 96 1HG PRO 96 7.590 -0.342 5.256 423 HD2 PRO 96 2HD PRO 96 7.513 0.864 2.872 424 HD3 PRO 96 1HD PRO 96 8.128 1.732 4.300 425 H ASP 97 H ASP 97 12.839 -1.134 3.997 426 HA ASP 97 HA ASP 97 13.129 -2.434 1.480 427 HB2 ASP 97 2HB ASP 97 14.499 -3.079 4.135 428 HB3 ASP 97 1HB ASP 97 15.042 -3.608 2.545 429 H THR 98 H THR 98 11.569 -3.247 4.427 430 HA THR 98 HA THR 98 11.263 -6.076 4.154 431 HB THR 98 HB THR 98 9.506 -5.723 5.952 432 HG1 THR 98 HG1 THR 98 8.755 -3.693 5.472 433 HG21 THR 98 3HG2 THR 98 11.038 -4.954 7.713 434 HG22 THR 98 1HG2 THR 98 12.139 -4.302 6.493 435 HG23 THR 98 2HG2 THR 98 11.879 -6.041 6.608 436 H PHE 99 H PHE 99 9.582 -3.306 2.871 437 HA PHE 99 HA PHE 99 7.116 -4.549 2.100 438 HB2 PHE 99 2HB PHE 99 7.332 -2.077 2.255 439 HB3 PHE 99 1HB PHE 99 8.494 -2.079 0.939 440 HD1 PHE 99 HD1 PHE 99 4.915 -2.467 1.804 441 HD2 PHE 99 HD2 PHE 99 7.740 -2.272 -1.392 442 HE1 PHE 99 HE1 PHE 99 3.084 -2.145 0.193 443 HE2 PHE 99 HE2 PHE 99 5.907 -1.953 -2.995 444 HZ PHE 99 HZ PHE 99 3.578 -1.888 -2.206 445 H LYS 100 H LYS 100 7.196 -6.313 0.886 446 HA LYS 100 HA LYS 100 8.613 -6.268 -1.710 447 HB2 LYS 100 2HB LYS 100 8.454 -8.664 0.177 448 HB3 LYS 100 1HB LYS 100 9.177 -8.668 -1.428 449 HG2 LYS 100 2HG LYS 100 10.913 -7.073 -0.610 450 HG3 LYS 100 1HG LYS 100 10.206 -7.162 1.010 451 HD2 LYS 100 2HD LYS 100 11.412 -9.491 -0.559 452 HD3 LYS 100 1HD LYS 100 12.186 -8.647 0.787 453 HE2 LYS 100 2HE LYS 100 10.542 -9.482 2.347 454 HE3 LYS 100 1HE LYS 100 9.540 -10.127 1.046 455 HZ1 LYS 100 3HZ LYS 100 12.278 -11.065 1.670 456 HZ2 LYS 100 1HZ LYS 100 11.207 -11.736 0.546 457 HZ3 LYS 100 2HZ LYS 100 10.860 -11.821 2.199 458 HA PRO 101 HA PRO 101 4.599 -7.753 -3.267 459 HB2 PRO 101 2HB PRO 101 5.394 -9.268 -5.427 460 HB3 PRO 101 1HB PRO 101 5.381 -7.500 -5.435 461 HG2 PRO 101 2HG PRO 101 7.690 -9.379 -4.973 462 HG3 PRO 101 1HG PRO 101 7.625 -7.912 -5.972 463 HD2 PRO 101 2HD PRO 101 8.718 -7.902 -3.493 464 HD3 PRO 101 1HD PRO 101 7.851 -6.491 -4.137 465 H GLY 102 H GLY 102 3.588 -9.149 -1.957 466 HA2 GLY 102 2HA GLY 102 2.903 -11.524 -1.729 467 HA3 GLY 102 1HA GLY 102 4.612 -11.927 -1.607 468 H VAL 103 H VAL 103 4.657 -9.182 -0.017 469 HA VAL 103 HA VAL 103 4.331 -10.333 2.629 470 HB VAL 103 HB VAL 103 5.202 -7.535 1.736 471 HG11 VAL 103 1HG1 VAL 103 5.189 -8.662 4.574 472 HG12 VAL 103 2HG1 VAL 103 4.147 -7.367 3.974 473 HG13 VAL 103 3HG1 VAL 103 5.891 -7.118 4.079 474 HG21 VAL 103 3HG2 VAL 103 7.450 -8.253 2.480 475 HG22 VAL 103 1HG2 VAL 103 6.835 -9.309 1.206 476 HG23 VAL 103 2HG2 VAL 103 6.812 -9.849 2.887 477 H GLU 104 H GLU 104 2.514 -10.268 3.736 478 HA GLU 104 HA GLU 104 0.162 -8.835 2.979 479 HB2 GLU 104 2HB GLU 104 0.269 -11.061 4.235 480 HB3 GLU 104 1HB GLU 104 0.773 -10.165 5.661 481 HG2 GLU 104 2HG GLU 104 -1.357 -8.902 5.593 482 HG3 GLU 104 1HG GLU 104 -1.865 -9.858 4.200 483 H VAL 105 H VAL 105 -0.210 -6.735 3.387 484 HA VAL 105 HA VAL 105 1.251 -5.378 5.593 485 HB VAL 105 HB VAL 105 1.472 -3.327 4.304 486 HG11 VAL 105 1HG1 VAL 105 3.298 -4.954 4.094 487 HG12 VAL 105 2HG1 VAL 105 3.118 -4.031 2.602 488 HG13 VAL 105 3HG1 VAL 105 2.512 -5.687 2.693 489 HG21 VAL 105 3HG2 VAL 105 -0.562 -3.415 2.921 490 HG22 VAL 105 1HG2 VAL 105 0.104 -4.756 1.987 491 HG23 VAL 105 2HG2 VAL 105 0.855 -3.160 1.901 492 H ILE 106 H ILE 106 0.275 -3.614 6.585 493 HA ILE 106 HA ILE 106 -2.647 -3.333 6.351 494 HB ILE 106 HB ILE 106 -0.844 -2.656 8.737 495 HG12 ILE 106 2HG1 ILE 106 -2.740 -5.033 8.419 496 HG13 ILE 106 1HG1 ILE 106 -0.982 -5.131 8.422 497 HG21 ILE 106 1HG2 ILE 106 -2.984 -2.360 9.947 498 HG22 ILE 106 2HG2 ILE 106 -3.874 -2.683 8.459 499 HG23 ILE 106 3HG2 ILE 106 -2.846 -1.252 8.585 500 HD11 ILE 106 3HD1 ILE 106 -1.917 -5.828 10.541 501 HD12 ILE 106 1HD1 ILE 106 -2.717 -4.272 10.743 502 HD13 ILE 106 2HD1 ILE 106 -0.953 -4.369 10.754 503 H ILE 107 H ILE 107 -3.063 -1.522 5.234 504 HA ILE 107 HA ILE 107 -1.240 0.814 5.330 505 HB ILE 107 HB ILE 107 -2.471 1.638 3.352 506 HG12 ILE 107 2HG1 ILE 107 -4.125 -0.923 3.569 507 HG13 ILE 107 1HG1 ILE 107 -4.712 0.691 3.946 508 HG21 ILE 107 1HG2 ILE 107 -1.596 -1.258 2.991 509 HG22 ILE 107 2HG2 ILE 107 -0.543 0.157 2.940 510 HG23 ILE 107 3HG2 ILE 107 -1.770 -0.071 1.693 511 HD11 ILE 107 3HD1 ILE 107 -5.529 -0.027 1.824 512 HD12 ILE 107 1HD1 ILE 107 -3.893 -0.344 1.248 513 HD13 ILE 107 2HD1 ILE 107 -4.404 1.309 1.591 514 H GLU 108 H GLU 108 -2.258 2.955 5.563 515 HA GLU 108 HA GLU 108 -5.013 3.081 6.533 516 HB2 GLU 108 2HB GLU 108 -3.692 2.799 8.614 517 HB3 GLU 108 1HB GLU 108 -2.640 4.124 8.141 518 HG2 GLU 108 2HG GLU 108 -4.678 5.634 8.193 519 HG3 GLU 108 1HG GLU 108 -5.558 4.282 8.921 520 H GLY 109 H GLY 109 -5.986 4.886 5.825 521 HA2 GLY 109 2HA GLY 109 -5.012 7.414 5.345 522 HA3 GLY 109 1HA GLY 109 -4.751 6.519 3.849 523 H GLY 110 H GLY 110 -6.387 6.810 2.408 524 HA2 GLY 110 2HA GLY 110 -9.010 5.933 3.007 525 HA3 GLY 110 1HA GLY 110 -8.984 7.693 3.012 526 H LEU 111 H LEU 111 -10.232 5.639 1.181 527 HA LEU 111 HA LEU 111 -9.155 6.461 -1.426 528 HB2 LEU 111 2HB LEU 111 -9.871 4.108 -1.117 529 HB3 LEU 111 1HB LEU 111 -11.481 4.638 -0.667 530 HG LEU 111 HG LEU 111 -11.852 5.492 -2.977 531 HD11 LEU 111 1HD1 LEU 111 -10.275 4.963 -4.782 532 HD12 LEU 111 2HD1 LEU 111 -9.122 4.326 -3.607 533 HD13 LEU 111 3HD1 LEU 111 -9.544 6.039 -3.593 534 HD21 LEU 111 3HD2 LEU 111 -10.966 2.582 -2.887 535 HD22 LEU 111 1HD2 LEU 111 -12.015 3.304 -4.113 536 HD23 LEU 111 2HD2 LEU 111 -12.560 3.199 -2.441 537 H ALA 112 H ALA 112 -9.814 8.336 -2.201 538 HA ALA 112 HA ALA 112 -12.009 9.818 -0.992 539 HB1 ALA 112 3HB ALA 112 -9.894 10.982 -1.475 540 HB2 ALA 112 1HB ALA 112 -11.227 11.720 -2.369 541 HB3 ALA 112 2HB ALA 112 -10.083 10.660 -3.195 542 HA PRO 113 HA PRO 113 -15.074 8.749 -4.240 543 HB2 PRO 113 2HB PRO 113 -16.267 11.389 -3.367 544 HB3 PRO 113 1HB PRO 113 -17.044 9.805 -3.545 545 HG2 PRO 113 2HG PRO 113 -16.475 10.747 -1.116 546 HG3 PRO 113 1HG PRO 113 -16.228 9.027 -1.493 547 HD2 PRO 113 2HD PRO 113 -14.183 11.243 -1.320 548 HD3 PRO 113 1HD PRO 113 -14.089 9.573 -0.715 549 H GLY 114 H GLY 114 -14.071 8.996 -6.174 550 HA2 GLY 114 2HA GLY 114 -14.227 10.395 -8.231 551 HA3 GLY 114 1HA GLY 114 -13.576 11.725 -7.273 552 H GLU 115 H GLU 115 -11.738 9.945 -5.812 553 HA GLU 115 HA GLU 115 -9.569 9.740 -7.764 554 HB2 GLU 115 2HB GLU 115 -9.150 10.902 -5.635 555 HB3 GLU 115 1HB GLU 115 -9.630 9.479 -4.720 556 HG2 GLU 115 2HG GLU 115 -7.202 9.755 -4.754 557 HG3 GLU 115 1HG GLU 115 -7.691 8.251 -5.526 558 H ASP 116 H ASP 116 -8.777 7.838 -8.508 559 HA ASP 116 HA ASP 116 -10.147 5.337 -7.849 560 HB2 ASP 116 2HB ASP 116 -8.013 5.916 -9.952 561 HB3 ASP 116 1HB ASP 116 -8.869 4.388 -9.776 562 H THR 117 H THR 117 -7.390 6.880 -6.613 563 HA THR 117 HA THR 117 -6.196 4.295 -5.805 564 HB THR 117 HB THR 117 -4.096 5.601 -5.312 565 HG1 THR 117 HG1 THR 117 -5.312 7.637 -6.876 566 HG21 THR 117 3HG2 THR 117 -5.016 5.654 -8.204 567 HG22 THR 117 1HG2 THR 117 -4.277 4.278 -7.378 568 HG23 THR 117 2HG2 THR 117 -3.342 5.749 -7.653 569 H PHE 118 H PHE 118 -5.972 3.803 -3.709 570 HA PHE 118 HA PHE 118 -7.232 5.367 -1.633 571 HB2 PHE 118 2HB PHE 118 -7.316 2.834 -1.721 572 HB3 PHE 118 1HB PHE 118 -5.586 2.785 -1.429 573 HD1 PHE 118 HD1 PHE 118 -4.706 3.692 0.833 574 HD2 PHE 118 HD2 PHE 118 -8.855 2.973 0.092 575 HE1 PHE 118 HE1 PHE 118 -5.136 3.647 3.253 576 HE2 PHE 118 HE2 PHE 118 -9.271 2.926 2.509 577 HZ PHE 118 HZ PHE 118 -7.419 3.265 4.093 578 H LYS 119 H LYS 119 -6.133 7.026 -0.736 579 HA LYS 119 HA LYS 119 -3.248 7.321 -1.136 580 HB2 LYS 119 2HB LYS 119 -5.236 9.231 0.175 581 HB3 LYS 119 1HB LYS 119 -3.565 9.613 -0.250 582 HG2 LYS 119 2HG LYS 119 -4.132 9.258 -2.659 583 HG3 LYS 119 1HG LYS 119 -5.809 8.940 -2.195 584 HD2 LYS 119 2HD LYS 119 -5.971 11.240 -1.260 585 HD3 LYS 119 1HD LYS 119 -4.306 11.558 -1.759 586 HE2 LYS 119 2HE LYS 119 -5.000 11.161 -4.134 587 HE3 LYS 119 1HE LYS 119 -6.665 10.962 -3.582 588 HZ1 LYS 119 3HZ LYS 119 -5.002 13.414 -3.445 589 HZ2 LYS 119 1HZ LYS 119 -6.505 13.258 -2.685 590 HZ3 LYS 119 2HZ LYS 119 -6.397 13.162 -4.365 591 H ALA 120 H ALA 120 -2.320 5.829 0.214 592 HA ALA 120 HA ALA 120 -3.026 5.541 3.011 593 HB1 ALA 120 3HB ALA 120 -0.721 4.315 1.442 594 HB2 ALA 120 1HB ALA 120 -2.305 3.575 1.698 595 HB3 ALA 120 2HB ALA 120 -1.233 3.858 3.071 596 H ARG 121 H ARG 121 -2.451 7.181 4.323 597 HA ARG 121 HA ARG 121 -0.079 8.778 3.983 598 HB2 ARG 121 2HB ARG 121 -0.837 9.871 6.145 599 HB3 ARG 121 1HB ARG 121 -1.974 9.944 4.816 600 HG2 ARG 121 2HG ARG 121 -3.351 9.509 6.645 601 HG3 ARG 121 1HG ARG 121 -3.130 7.909 5.945 602 HD2 ARG 121 2HD ARG 121 -2.988 7.841 8.401 603 HD3 ARG 121 1HD ARG 121 -1.452 7.374 7.667 604 HE ARG 121 HE ARG 121 -0.862 9.863 8.089 605 HH11 ARG 121 1HH1 ARG 121 -2.727 7.850 10.285 606 HH12 ARG 121 2HH1 ARG 121 -2.246 8.745 11.696 607 HH21 ARG 121 1HH2 ARG 121 -0.224 11.010 9.958 608 HH22 ARG 121 2HH2 ARG 121 -0.834 10.517 11.510 609 H THR 122 H THR 122 -0.816 5.854 5.647 610 HA THR 122 HA THR 122 1.987 5.666 6.530 611 HB THR 122 HB THR 122 1.181 4.340 8.587 612 HG1 THR 122 HG1 THR 122 -1.034 5.226 9.226 613 HG21 THR 122 3HG2 THR 122 2.110 6.616 8.855 614 HG22 THR 122 1HG2 THR 122 0.805 6.316 10.007 615 HG23 THR 122 2HG2 THR 122 0.511 7.311 8.580 616 H LEU 123 H LEU 123 2.715 3.468 6.770 617 HA LEU 123 HA LEU 123 1.224 1.339 5.376 618 HB2 LEU 123 2HB LEU 123 2.662 2.495 3.702 619 HB3 LEU 123 1HB LEU 123 4.056 2.299 4.744 620 HG LEU 123 HG LEU 123 3.902 -0.191 4.416 621 HD11 LEU 123 1HD1 LEU 123 2.520 -1.089 2.589 622 HD12 LEU 123 2HD1 LEU 123 1.756 0.491 2.382 623 HD13 LEU 123 3HD1 LEU 123 1.532 -0.414 3.884 624 HD21 LEU 123 3HD2 LEU 123 4.829 -0.199 2.147 625 HD22 LEU 123 1HD2 LEU 123 5.449 1.165 3.075 626 HD23 LEU 123 2HD2 LEU 123 4.194 1.423 1.860 627 H MET 124 H MET 124 1.656 -0.696 6.274 628 HA MET 124 HA MET 124 3.852 -0.999 8.245 629 HB2 MET 124 2HB MET 124 1.775 -0.572 9.535 630 HB3 MET 124 1HB MET 124 0.945 -1.848 8.656 631 HG2 MET 124 2HG MET 124 2.573 -3.503 9.638 632 HG3 MET 124 1HG MET 124 3.229 -2.198 10.620 633 HE1 MET 124 3HE MET 124 1.693 -0.821 12.393 634 HE2 MET 124 1HE MET 124 0.036 -1.276 12.791 635 HE3 MET 124 2HE MET 124 0.407 -0.592 11.207 636 H THR 125 H THR 125 5.071 -2.628 7.554 637 HA THR 125 HA THR 125 3.950 -4.843 5.943 638 HB THR 125 HB THR 125 6.385 -5.328 5.469 639 HG1 THR 125 HG1 THR 125 7.319 -4.406 7.317 640 HG21 THR 125 3HG2 THR 125 5.499 -2.475 4.882 641 HG22 THR 125 1HG2 THR 125 5.150 -3.900 3.900 642 HG23 THR 125 2HG2 THR 125 6.809 -3.323 4.059 643 H LYS 126 H LYS 126 4.209 -7.032 6.600 644 HA LYS 126 HA LYS 126 4.693 -7.416 9.495 645 HB2 LYS 126 2HB LYS 126 3.190 -9.139 7.481 646 HB3 LYS 126 1HB LYS 126 3.415 -9.558 9.183 647 HG2 LYS 126 2HG LYS 126 2.148 -7.567 9.857 648 HG3 LYS 126 1HG LYS 126 1.981 -7.082 8.164 649 HD2 LYS 126 2HD LYS 126 0.647 -9.097 7.711 650 HD3 LYS 126 1HD LYS 126 0.828 -9.618 9.391 651 HE2 LYS 126 2HE LYS 126 -0.371 -7.611 10.147 652 HE3 LYS 126 1HE LYS 126 -0.516 -7.053 8.481 653 HZ1 LYS 126 3HZ LYS 126 -2.525 -8.096 9.297 654 HZ2 LYS 126 1HZ LYS 126 -1.697 -9.544 9.554 655 HZ3 LYS 126 2HZ LYS 126 -1.882 -8.945 7.986 656 H CYS 127 H CYS 127 5.388 -9.140 6.390 657 HA CYS 127 HA CYS 127 7.467 -10.726 7.637 658 HB2 CYS 127 2HB CYS 127 6.460 -10.558 4.780 659 HB3 CYS 127 1HB CYS 127 7.823 -11.577 5.244 660 HG CYS 127 HG CYS 127 6.460 -13.361 6.696 661 HA PRO 128 HA PRO 128 10.714 -7.685 6.571 662 HB2 PRO 128 2HB PRO 128 12.774 -8.881 7.867 663 HB3 PRO 128 1HB PRO 128 11.488 -8.044 8.750 664 HG2 PRO 128 2HG PRO 128 11.823 -10.999 8.227 665 HG3 PRO 128 1HG PRO 128 11.404 -10.177 9.747 666 HD2 PRO 128 2HD PRO 128 9.535 -11.326 8.106 667 HD3 PRO 128 1HD PRO 128 9.175 -9.931 9.144 668 H LEU 129 H LEU 129 13.373 -8.607 6.134 669 HA LEU 129 HA LEU 129 13.167 -9.472 3.390 670 HB2 LEU 129 2HB LEU 129 15.583 -8.856 5.143 671 HB3 LEU 129 1HB LEU 129 15.713 -9.339 3.461 672 HG LEU 129 HG LEU 129 14.414 -7.252 2.825 673 HD11 LEU 129 1HD1 LEU 129 14.225 -5.412 4.433 674 HD12 LEU 129 2HD1 LEU 129 14.824 -6.464 5.718 675 HD13 LEU 129 3HD1 LEU 129 13.275 -6.808 4.947 676 HD21 LEU 129 3HD2 LEU 129 16.311 -5.715 3.088 677 HD22 LEU 129 1HD2 LEU 129 16.872 -7.329 2.650 678 HD23 LEU 129 2HD2 LEU 129 17.015 -6.768 4.319 679 H GLU 130 H GLU 130 12.181 -11.528 3.755 680 HA GLU 130 HA GLU 130 14.087 -13.724 4.285 681 HB2 GLU 130 2HB GLU 130 11.151 -13.671 5.137 682 HB3 GLU 130 1HB GLU 130 12.242 -15.046 5.311 683 HG2 GLU 130 2HG GLU 130 13.637 -13.691 6.862 684 HG3 GLU 130 1HG GLU 130 12.482 -12.365 6.725 Start of MODEL 2 1 H1 MET 43 1H MET 43 -10.436 16.093 -6.095 2 H2 MET 43 2H MET 43 -10.572 16.728 -7.649 3 H3 MET 43 3H MET 43 -11.534 17.349 -6.407 4 HA MET 43 HA MET 43 -8.583 17.511 -6.615 5 HB2 MET 43 2HB MET 43 -10.711 19.673 -6.867 6 HB3 MET 43 1HB MET 43 -8.978 19.982 -6.838 7 HG2 MET 43 2HG MET 43 -8.698 18.753 -8.925 8 HG3 MET 43 1HG MET 43 -10.416 18.345 -8.947 9 HE1 MET 43 3HE MET 43 -12.047 21.902 -9.503 10 HE2 MET 43 1HE MET 43 -11.742 21.129 -7.948 11 HE3 MET 43 2HE MET 43 -12.354 20.174 -9.293 12 H ALA 44 H ALA 44 -11.471 18.529 -4.772 13 HA ALA 44 HA ALA 44 -9.946 18.255 -2.245 14 HB1 ALA 44 3HB ALA 44 -11.138 20.223 -1.331 15 HB2 ALA 44 1HB ALA 44 -11.914 20.492 -2.896 16 HB3 ALA 44 2HB ALA 44 -10.165 20.668 -2.732 17 H THR 45 H THR 45 -11.228 16.158 -3.190 18 HA THR 45 HA THR 45 -14.030 16.002 -2.568 19 HB THR 45 HB THR 45 -13.777 13.585 -3.154 20 HG1 THR 45 HG1 THR 45 -11.715 12.810 -3.756 21 HG21 THR 45 3HG2 THR 45 -12.291 15.394 -5.108 22 HG22 THR 45 1HG2 THR 45 -14.047 15.236 -4.998 23 HG23 THR 45 2HG2 THR 45 -13.068 13.858 -5.503 24 HA PRO 46 HA PRO 46 -14.232 15.246 1.828 25 HB2 PRO 46 2HB PRO 46 -15.722 12.726 1.045 26 HB3 PRO 46 1HB PRO 46 -16.115 13.908 2.309 27 HG2 PRO 46 2HG PRO 46 -17.392 14.010 -0.014 28 HG3 PRO 46 1HG PRO 46 -16.829 15.521 0.739 29 HD2 PRO 46 2HD PRO 46 -15.682 14.021 -1.602 30 HD3 PRO 46 1HD PRO 46 -15.755 15.772 -1.314 31 H GLN 47 H GLN 47 -12.071 14.851 2.262 32 HA GLN 47 HA GLN 47 -11.460 12.182 3.249 33 HB2 GLN 47 2HB GLN 47 -10.531 12.206 0.892 34 HB3 GLN 47 1HB GLN 47 -9.536 13.592 1.326 35 HG2 GLN 47 2HG GLN 47 -8.454 12.117 3.106 36 HG3 GLN 47 1HG GLN 47 -9.324 10.757 2.392 37 HE21 GLN 47 1HE2 GLN 47 -6.439 11.151 2.605 38 HE22 GLN 47 2HE2 GLN 47 -5.817 11.132 0.997 39 H ASP 48 H ASP 48 -11.837 13.394 5.218 40 HA ASP 48 HA ASP 48 -10.106 15.631 5.870 41 HB2 ASP 48 2HB ASP 48 -11.273 15.724 8.016 42 HB3 ASP 48 1HB ASP 48 -12.424 15.626 6.692 43 H LYS 49 H LYS 49 -8.970 15.600 8.053 44 HA LYS 49 HA LYS 49 -6.765 13.835 7.568 45 HB2 LYS 49 2HB LYS 49 -7.163 15.912 9.755 46 HB3 LYS 49 1HB LYS 49 -5.628 15.147 9.339 47 HG2 LYS 49 2HG LYS 49 -5.627 16.207 7.150 48 HG3 LYS 49 1HG LYS 49 -7.254 16.844 7.418 49 HD2 LYS 49 2HD LYS 49 -6.397 18.229 9.283 50 HD3 LYS 49 1HD LYS 49 -4.769 17.605 9.001 51 HE2 LYS 49 2HE LYS 49 -4.758 18.632 6.761 52 HE3 LYS 49 1HE LYS 49 -6.410 19.210 7.003 53 HZ1 LYS 49 3HZ LYS 49 -5.632 20.574 8.826 54 HZ2 LYS 49 1HZ LYS 49 -4.776 20.941 7.413 55 HZ3 LYS 49 2HZ LYS 49 -4.051 20.009 8.620 56 H LEU 50 H LEU 50 -9.125 14.158 10.252 57 HA LEU 50 HA LEU 50 -7.821 12.199 11.908 58 HB2 LEU 50 2HB LEU 50 -9.736 12.409 13.423 59 HB3 LEU 50 1HB LEU 50 -9.138 13.976 12.935 60 HG LEU 50 HG LEU 50 -11.137 13.895 11.195 61 HD11 LEU 50 1HD1 LEU 50 -12.203 11.963 13.273 62 HD12 LEU 50 2HD1 LEU 50 -11.869 11.605 11.577 63 HD13 LEU 50 3HD1 LEU 50 -13.141 12.744 11.996 64 HD21 LEU 50 3HD2 LEU 50 -12.614 15.022 12.811 65 HD22 LEU 50 1HD2 LEU 50 -10.945 15.566 12.959 66 HD23 LEU 50 2HD2 LEU 50 -11.611 14.438 14.141 67 H HIS 51 H HIS 51 -10.092 12.030 9.301 68 HA HIS 51 HA HIS 51 -11.155 9.415 9.846 69 HB2 HIS 51 2HB HIS 51 -12.291 11.127 8.377 70 HB3 HIS 51 1HB HIS 51 -11.032 10.888 7.172 71 HD1 HIS 51 HD1 HIS 51 -14.005 9.199 8.735 72 HD2 HIS 51 HD2 HIS 51 -11.366 8.612 5.580 73 HE1 HIS 51 HE1 HIS 51 -14.997 7.334 7.371 74 HE2 HIS 51 HE2 HIS 51 -13.428 7.067 5.414 75 H THR 52 H THR 52 -9.347 8.170 10.301 76 HA THR 52 HA THR 52 -7.468 7.541 8.116 77 HB THR 52 HB THR 52 -7.354 6.567 11.016 78 HG1 THR 52 HG1 THR 52 -7.230 8.878 10.893 79 HG21 THR 52 3HG2 THR 52 -5.173 6.748 8.887 80 HG22 THR 52 1HG2 THR 52 -6.002 5.260 9.365 81 HG23 THR 52 2HG2 THR 52 -4.988 6.119 10.525 82 H VAL 53 H VAL 53 -7.904 5.815 6.917 83 HA VAL 53 HA VAL 53 -9.798 3.741 7.861 84 HB VAL 53 HB VAL 53 -8.942 4.279 4.979 85 HG11 VAL 53 1HG1 VAL 53 -11.274 2.652 6.079 86 HG12 VAL 53 2HG1 VAL 53 -9.797 1.993 5.369 87 HG13 VAL 53 3HG1 VAL 53 -10.915 2.924 4.372 88 HG21 VAL 53 3HG2 VAL 53 -10.090 6.265 5.834 89 HG22 VAL 53 1HG2 VAL 53 -11.446 5.275 6.385 90 HG23 VAL 53 2HG2 VAL 53 -11.101 5.425 4.661 91 H ARG 54 H ARG 54 -9.186 1.586 7.649 92 HA ARG 54 HA ARG 54 -6.317 0.996 7.199 93 HB2 ARG 54 2HB ARG 54 -6.829 1.005 9.592 94 HB3 ARG 54 1HB ARG 54 -8.210 -0.060 9.350 95 HG2 ARG 54 2HG ARG 54 -6.800 -1.926 8.850 96 HG3 ARG 54 1HG ARG 54 -5.371 -0.892 8.703 97 HD2 ARG 54 2HD ARG 54 -6.940 -1.383 11.265 98 HD3 ARG 54 1HD ARG 54 -5.401 -2.148 10.837 99 HE ARG 54 HE ARG 54 -4.924 0.544 10.642 100 HH11 ARG 54 1HH1 ARG 54 -5.971 -1.563 13.254 101 HH12 ARG 54 2HH1 ARG 54 -5.251 -0.577 14.484 102 HH21 ARG 54 1HH2 ARG 54 -3.994 1.791 12.232 103 HH22 ARG 54 2HH2 ARG 54 -4.122 1.337 13.903 104 H LEU 55 H LEU 55 -6.172 -0.234 5.427 105 HA LEU 55 HA LEU 55 -8.261 -2.269 4.824 106 HB2 LEU 55 2HB LEU 55 -7.754 -0.200 3.225 107 HB3 LEU 55 1HB LEU 55 -6.352 -1.132 2.749 108 HG LEU 55 HG LEU 55 -9.251 -2.033 2.433 109 HD11 LEU 55 1HD1 LEU 55 -8.949 -1.608 0.033 110 HD12 LEU 55 2HD1 LEU 55 -7.324 -0.989 0.335 111 HD13 LEU 55 3HD1 LEU 55 -8.728 -0.135 0.980 112 HD21 LEU 55 3HD2 LEU 55 -8.384 -3.843 1.005 113 HD22 LEU 55 1HD2 LEU 55 -7.748 -3.977 2.645 114 HD23 LEU 55 2HD2 LEU 55 -6.727 -3.343 1.354 115 H PHE 56 H PHE 56 -7.572 -4.327 4.963 116 HA PHE 56 HA PHE 56 -4.715 -4.938 5.372 117 HB2 PHE 56 2HB PHE 56 -7.160 -6.725 5.801 118 HB3 PHE 56 1HB PHE 56 -5.508 -7.081 6.286 119 HD1 PHE 56 HD1 PHE 56 -4.473 -5.829 8.190 120 HD2 PHE 56 HD2 PHE 56 -8.603 -5.369 7.178 121 HE1 PHE 56 HE1 PHE 56 -4.920 -4.870 10.409 122 HE2 PHE 56 HE2 PHE 56 -9.036 -4.410 9.404 123 HZ PHE 56 HZ PHE 56 -7.194 -4.162 11.017 124 H GLY 57 H GLY 57 -3.638 -6.206 3.892 125 HA2 GLY 57 2HA GLY 57 -4.890 -7.906 1.974 126 HA3 GLY 57 1HA GLY 57 -4.409 -6.375 1.241 127 H THR 58 H THR 58 -3.192 -8.165 0.054 128 HA THR 58 HA THR 58 -0.472 -8.421 1.204 129 HB THR 58 HB THR 58 -1.867 -10.361 -0.697 130 HG1 THR 58 HG1 THR 58 -1.861 -10.139 2.049 131 HG21 THR 58 3HG2 THR 58 0.761 -10.641 0.806 132 HG22 THR 58 1HG2 THR 58 0.602 -10.373 -0.931 133 HG23 THR 58 2HG2 THR 58 0.016 -11.874 -0.211 134 H VAL 59 H VAL 59 1.202 -7.888 -0.194 135 HA VAL 59 HA VAL 59 0.613 -5.986 -2.261 136 HB VAL 59 HB VAL 59 3.334 -7.150 -1.478 137 HG11 VAL 59 1HG1 VAL 59 4.284 -5.078 -2.449 138 HG12 VAL 59 2HG1 VAL 59 2.672 -4.566 -2.955 139 HG13 VAL 59 3HG1 VAL 59 3.405 -6.011 -3.659 140 HG21 VAL 59 3HG2 VAL 59 1.946 -4.671 -0.388 141 HG22 VAL 59 1HG2 VAL 59 3.599 -5.162 -0.026 142 HG23 VAL 59 2HG2 VAL 59 2.248 -6.174 0.493 143 H ALA 60 H ALA 60 0.308 -6.440 -4.353 144 HA ALA 60 HA ALA 60 0.663 -9.063 -5.473 145 HB1 ALA 60 3HB ALA 60 -1.224 -7.628 -6.148 146 HB2 ALA 60 1HB ALA 60 -0.241 -8.074 -7.541 147 HB3 ALA 60 2HB ALA 60 -0.108 -6.455 -6.843 148 H ALA 61 H ALA 61 2.156 -9.740 -7.010 149 HA ALA 61 HA ALA 61 4.514 -8.141 -7.640 150 HB1 ALA 61 3HB ALA 61 4.770 -10.536 -7.158 151 HB2 ALA 61 1HB ALA 61 5.274 -10.186 -8.814 152 HB3 ALA 61 2HB ALA 61 3.706 -10.940 -8.507 153 H ASP 62 H ASP 62 1.838 -7.314 -8.557 154 HA ASP 62 HA ASP 62 2.430 -6.820 -11.362 155 HB2 ASP 62 2HB ASP 62 0.877 -8.749 -11.408 156 HB3 ASP 62 1HB ASP 62 -0.238 -7.910 -10.334 157 H GLY 63 H GLY 63 2.248 -4.714 -11.694 158 HA2 GLY 63 2HA GLY 63 1.298 -2.569 -11.708 159 HA3 GLY 63 1HA GLY 63 0.147 -3.074 -10.482 160 H LEU 64 H LEU 64 3.262 -3.938 -9.557 161 HA LEU 64 HA LEU 64 3.395 -1.959 -7.462 162 HB2 LEU 64 2HB LEU 64 4.104 -4.481 -7.415 163 HB3 LEU 64 1HB LEU 64 5.598 -3.938 -8.147 164 HG LEU 64 HG LEU 64 4.574 -2.961 -5.439 165 HD11 LEU 64 1HD1 LEU 64 5.029 -5.364 -5.331 166 HD12 LEU 64 2HD1 LEU 64 6.229 -4.464 -4.406 167 HD13 LEU 64 3HD1 LEU 64 6.647 -5.114 -5.997 168 HD21 LEU 64 3HD2 LEU 64 6.139 -1.372 -6.479 169 HD22 LEU 64 1HD2 LEU 64 7.328 -2.656 -6.707 170 HD23 LEU 64 2HD2 LEU 64 6.876 -2.142 -5.079 171 H THR 65 H THR 65 3.525 -0.068 -8.619 172 HA THR 65 HA THR 65 5.882 0.547 -10.290 173 HB THR 65 HB THR 65 3.249 2.083 -10.049 174 HG1 THR 65 HG1 THR 65 3.627 -0.269 -11.159 175 HG21 THR 65 3HG2 THR 65 3.899 3.100 -12.206 176 HG22 THR 65 1HG2 THR 65 5.415 2.210 -12.180 177 HG23 THR 65 2HG2 THR 65 5.104 3.448 -10.958 178 H MET 66 H MET 66 7.464 1.657 -9.187 179 HA MET 66 HA MET 66 6.781 3.002 -6.647 180 HB2 MET 66 2HB MET 66 9.511 2.284 -7.782 181 HB3 MET 66 1HB MET 66 9.211 2.969 -6.188 182 HG2 MET 66 2HG MET 66 7.841 0.906 -5.678 183 HG3 MET 66 1HG MET 66 8.440 0.221 -7.189 184 HE1 MET 66 3HE MET 66 11.054 1.209 -3.510 185 HE2 MET 66 1HE MET 66 9.292 1.293 -3.532 186 HE3 MET 66 2HE MET 66 10.246 2.458 -4.455 187 H LEU 67 H LEU 67 7.468 5.182 -6.225 188 HA LEU 67 HA LEU 67 6.930 6.863 -8.478 189 HB2 LEU 67 2HB LEU 67 7.716 7.652 -5.648 190 HB3 LEU 67 1HB LEU 67 7.033 8.724 -6.862 191 HG LEU 67 HG LEU 67 5.627 6.422 -5.448 192 HD11 LEU 67 1HD1 LEU 67 5.786 8.462 -4.109 193 HD12 LEU 67 2HD1 LEU 67 4.118 8.161 -4.589 194 HD13 LEU 67 3HD1 LEU 67 5.061 9.407 -5.413 195 HD21 LEU 67 3HD2 LEU 67 3.607 6.986 -6.755 196 HD22 LEU 67 1HD2 LEU 67 4.913 6.382 -7.774 197 HD23 LEU 67 2HD2 LEU 67 4.556 8.111 -7.734 198 H ASP 68 H ASP 68 8.274 7.926 -9.775 199 HA ASP 68 HA ASP 68 11.123 7.520 -9.684 200 HB2 ASP 68 2HB ASP 68 9.287 9.029 -11.583 201 HB3 ASP 68 1HB ASP 68 11.035 9.051 -11.781 202 H GLY 69 H GLY 69 12.465 8.730 -8.540 203 HA2 GLY 69 2HA GLY 69 13.554 10.501 -7.607 204 HA3 GLY 69 1HA GLY 69 12.645 11.550 -8.676 205 H ALA 70 H ALA 70 10.864 9.492 -6.518 206 HA ALA 70 HA ALA 70 10.467 11.575 -4.497 207 HB1 ALA 70 3HB ALA 70 8.181 10.468 -6.177 208 HB2 ALA 70 1HB ALA 70 8.814 12.109 -6.242 209 HB3 ALA 70 2HB ALA 70 8.009 11.538 -4.779 210 HA PRO 71 HA PRO 71 10.311 7.791 -2.017 211 HB2 PRO 71 2HB PRO 71 9.374 8.857 0.344 212 HB3 PRO 71 1HB PRO 71 11.047 9.030 -0.199 213 HG2 PRO 71 2HG PRO 71 8.763 10.979 -0.429 214 HG3 PRO 71 1HG PRO 71 10.450 11.283 0.044 215 HD2 PRO 71 2HD PRO 71 9.527 11.807 -2.463 216 HD3 PRO 71 1HD PRO 71 11.200 11.280 -2.166 217 H GLY 72 H GLY 72 8.754 6.382 -2.628 218 HA2 GLY 72 2HA GLY 72 6.507 5.814 -1.293 219 HA3 GLY 72 1HA GLY 72 5.905 6.993 -2.452 220 H VAL 73 H VAL 73 4.617 4.937 -2.847 221 HA VAL 73 HA VAL 73 5.525 3.677 -5.260 222 HB VAL 73 HB VAL 73 6.569 2.137 -3.678 223 HG11 VAL 73 1HG1 VAL 73 5.300 0.851 -1.981 224 HG12 VAL 73 2HG1 VAL 73 3.849 1.784 -2.365 225 HG13 VAL 73 3HG1 VAL 73 5.255 2.588 -1.664 226 HG21 VAL 73 3HG2 VAL 73 4.073 0.850 -4.868 227 HG22 VAL 73 1HG2 VAL 73 5.537 -0.004 -4.365 228 HG23 VAL 73 2HG2 VAL 73 5.598 1.130 -5.713 229 H ARG 74 H ARG 74 3.830 3.579 -6.555 230 HA ARG 74 HA ARG 74 1.060 3.339 -5.633 231 HB2 ARG 74 2HB ARG 74 1.703 4.857 -7.571 232 HB3 ARG 74 1HB ARG 74 2.227 3.438 -8.469 233 HG2 ARG 74 2HG ARG 74 0.087 3.901 -9.329 234 HG3 ARG 74 1HG ARG 74 -0.201 2.582 -8.191 235 HD2 ARG 74 2HD ARG 74 -1.937 4.239 -7.894 236 HD3 ARG 74 1HD ARG 74 -0.888 4.295 -6.474 237 HE ARG 74 HE ARG 74 0.237 6.198 -7.912 238 HH11 ARG 74 1HH1 ARG 74 -3.189 5.679 -7.354 239 HH12 ARG 74 2HH1 ARG 74 -3.592 7.350 -7.593 240 HH21 ARG 74 1HH2 ARG 74 -0.314 8.373 -8.203 241 HH22 ARG 74 2HH2 ARG 74 -1.972 8.861 -8.058 242 H PHE 75 H PHE 75 0.015 1.317 -5.653 243 HA PHE 75 HA PHE 75 0.933 -0.897 -7.279 244 HB2 PHE 75 2HB PHE 75 1.442 -2.454 -5.426 245 HB3 PHE 75 1HB PHE 75 2.547 -1.088 -5.399 246 HD1 PHE 75 HD2 PHE 75 2.056 0.819 -3.698 247 HD2 PHE 75 HD1 PHE 75 0.207 -3.038 -3.466 248 HE1 PHE 75 HE2 PHE 75 1.518 1.217 -1.329 249 HE2 PHE 75 HE1 PHE 75 -0.329 -2.625 -1.100 250 HZ PHE 75 HZ PHE 75 0.323 -0.506 -0.028 251 H ARG 76 H ARG 76 -0.503 -2.867 -6.921 252 HA ARG 76 HA ARG 76 -3.193 -1.962 -6.067 253 HB2 ARG 76 2HB ARG 76 -4.145 -3.752 -7.492 254 HB3 ARG 76 1HB ARG 76 -3.207 -2.594 -8.418 255 HG2 ARG 76 2HG ARG 76 -1.322 -4.223 -8.472 256 HG3 ARG 76 1HG ARG 76 -2.353 -5.395 -7.647 257 HD2 ARG 76 2HD ARG 76 -2.921 -4.154 -10.368 258 HD3 ARG 76 1HD ARG 76 -2.253 -5.768 -10.093 259 HE ARG 76 HE ARG 76 -4.843 -5.206 -8.862 260 HH11 ARG 76 1HH1 ARG 76 -3.159 -6.660 -11.580 261 HH12 ARG 76 2HH1 ARG 76 -4.533 -7.590 -12.079 262 HH21 ARG 76 1HH2 ARG 76 -6.635 -6.428 -9.536 263 HH22 ARG 76 2HH2 ARG 76 -6.495 -7.477 -10.911 264 H LEU 77 H LEU 77 -3.440 -2.488 -4.049 265 HA LEU 77 HA LEU 77 -2.181 -4.711 -2.743 266 HB2 LEU 77 2HB LEU 77 -2.744 -2.529 -1.596 267 HB3 LEU 77 1HB LEU 77 -4.446 -2.939 -1.720 268 HG LEU 77 HG LEU 77 -4.015 -5.001 -0.321 269 HD11 LEU 77 1HD1 LEU 77 -1.650 -5.307 -0.802 270 HD12 LEU 77 2HD1 LEU 77 -1.908 -5.163 0.931 271 HD13 LEU 77 3HD1 LEU 77 -1.249 -3.797 0.024 272 HD21 LEU 77 3HD2 LEU 77 -4.899 -2.955 0.725 273 HD22 LEU 77 1HD2 LEU 77 -3.255 -2.384 1.032 274 HD23 LEU 77 2HD2 LEU 77 -3.855 -3.842 1.830 275 H GLU 78 H GLU 78 -2.865 -6.728 -3.052 276 HA GLU 78 HA GLU 78 -5.482 -7.424 -3.999 277 HB2 GLU 78 2HB GLU 78 -3.284 -9.203 -2.839 278 HB3 GLU 78 1HB GLU 78 -4.724 -9.771 -3.686 279 HG2 GLU 78 2HG GLU 78 -3.948 -8.551 -5.726 280 HG3 GLU 78 1HG GLU 78 -2.472 -8.117 -4.866 281 H ASP 79 H ASP 79 -7.030 -6.785 -2.615 282 HA ASP 79 HA ASP 79 -7.211 -6.902 0.154 283 HB2 ASP 79 2HB ASP 79 -8.885 -5.698 -1.092 284 HB3 ASP 79 1HB ASP 79 -9.284 -7.101 -2.067 285 H LYS 80 H LYS 80 -6.676 -8.704 1.283 286 HA LYS 80 HA LYS 80 -6.483 -11.243 0.104 287 HB2 LYS 80 2HB LYS 80 -5.864 -12.011 2.466 288 HB3 LYS 80 1HB LYS 80 -4.893 -10.733 1.760 289 HG2 LYS 80 2HG LYS 80 -5.209 -10.162 4.040 290 HG3 LYS 80 1HG LYS 80 -6.224 -9.065 3.105 291 HD2 LYS 80 2HD LYS 80 -8.216 -10.383 3.678 292 HD3 LYS 80 1HD LYS 80 -7.218 -11.555 4.547 293 HE2 LYS 80 2HE LYS 80 -7.594 -8.632 5.273 294 HE3 LYS 80 1HE LYS 80 -8.328 -10.010 6.093 295 HZ1 LYS 80 3HZ LYS 80 -6.068 -10.782 6.645 296 HZ2 LYS 80 1HZ LYS 80 -6.437 -9.273 7.319 297 HZ3 LYS 80 2HZ LYS 80 -5.434 -9.371 5.961 298 H ASP 81 H ASP 81 -9.148 -9.825 1.775 299 HA ASP 81 HA ASP 81 -10.487 -12.163 2.673 300 HB2 ASP 81 2HB ASP 81 -11.019 -9.881 3.493 301 HB3 ASP 81 1HB ASP 81 -11.635 -9.446 1.904 302 H ASN 82 H ASN 82 -10.476 -10.431 -0.421 303 HA ASN 82 HA ASN 82 -12.187 -12.545 -1.642 304 HB2 ASN 82 2HB ASN 82 -12.078 -9.573 -2.379 305 HB3 ASN 82 1HB ASN 82 -12.943 -10.809 -3.299 306 HD21 ASN 82 1HD2 ASN 82 -12.839 -9.051 -0.273 307 HD22 ASN 82 2HD2 ASN 82 -14.461 -9.397 0.206 308 H THR 83 H THR 83 -9.881 -9.979 -2.598 309 HA THR 83 HA THR 83 -8.049 -9.876 -3.871 310 HB THR 83 HB THR 83 -8.061 -12.920 -4.122 311 HG1 THR 83 HG1 THR 83 -7.617 -11.309 -1.997 312 HG21 THR 83 3HG2 THR 83 -6.548 -11.841 -5.758 313 HG22 THR 83 1HG2 THR 83 -5.626 -12.667 -4.499 314 HG23 THR 83 2HG2 THR 83 -5.797 -10.911 -4.462 315 H SER 84 H SER 84 -10.816 -11.639 -5.031 316 HA SER 84 HA SER 84 -10.577 -11.280 -7.808 317 HB2 SER 84 2HB SER 84 -13.112 -11.414 -7.731 318 HB3 SER 84 1HB SER 84 -12.311 -12.722 -6.861 319 HG SER 84 HG SER 84 -13.945 -10.737 -5.924 320 H LYS 85 H LYS 85 -11.077 -9.069 -5.228 321 HA LYS 85 HA LYS 85 -11.261 -6.817 -7.136 322 HB2 LYS 85 2HB LYS 85 -12.553 -5.516 -5.467 323 HB3 LYS 85 1HB LYS 85 -13.433 -6.938 -6.013 324 HG2 LYS 85 2HG LYS 85 -12.932 -8.090 -3.907 325 HG3 LYS 85 1HG LYS 85 -11.956 -6.722 -3.356 326 HD2 LYS 85 2HD LYS 85 -14.014 -5.274 -3.500 327 HD3 LYS 85 1HD LYS 85 -14.956 -6.714 -3.892 328 HE2 LYS 85 2HE LYS 85 -15.176 -6.127 -1.519 329 HE3 LYS 85 1HE LYS 85 -14.370 -7.686 -1.698 330 HZ1 LYS 85 3HZ LYS 85 -13.366 -6.164 -0.042 331 HZ2 LYS 85 1HZ LYS 85 -12.923 -5.129 -1.297 332 HZ3 LYS 85 2HZ LYS 85 -12.282 -6.693 -1.223 333 H THR 86 H THR 86 -9.337 -5.885 -7.154 334 HA THR 86 HA THR 86 -7.714 -5.628 -4.680 335 HB THR 86 HB THR 86 -5.744 -5.347 -6.157 336 HG1 THR 86 HG1 THR 86 -7.598 -4.831 -8.032 337 HG21 THR 86 3HG2 THR 86 -6.346 -7.686 -5.582 338 HG22 THR 86 1HG2 THR 86 -5.620 -7.586 -7.187 339 HG23 THR 86 2HG2 THR 86 -7.364 -7.771 -7.020 340 H VAL 87 H VAL 87 -7.149 -3.581 -4.008 341 HA VAL 87 HA VAL 87 -8.209 -1.255 -5.532 342 HB VAL 87 HB VAL 87 -7.379 -1.369 -2.587 343 HG11 VAL 87 1HG1 VAL 87 -8.773 0.877 -4.112 344 HG12 VAL 87 2HG1 VAL 87 -7.115 0.902 -3.509 345 HG13 VAL 87 3HG1 VAL 87 -8.464 0.856 -2.373 346 HG21 VAL 87 3HG2 VAL 87 -9.395 -2.716 -2.952 347 HG22 VAL 87 1HG2 VAL 87 -10.178 -1.363 -3.776 348 HG23 VAL 87 2HG2 VAL 87 -9.795 -1.251 -2.057 349 H TRP 88 H TRP 88 -6.780 0.350 -6.207 350 HA TRP 88 HA TRP 88 -3.926 -0.164 -6.079 351 HB2 TRP 88 2HB TRP 88 -5.606 1.970 -7.463 352 HB3 TRP 88 1HB TRP 88 -3.846 2.044 -7.417 353 HD1 TRP 88 HD1 TRP 88 -6.683 -0.149 -8.892 354 HE1 TRP 88 HE1 TRP 88 -5.725 -1.412 -10.920 355 HE3 TRP 88 HE3 TRP 88 -1.764 1.181 -8.442 356 HZ2 TRP 88 HZ2 TRP 88 -3.229 -1.811 -12.155 357 HZ3 TRP 88 HZ3 TRP 88 -0.152 0.307 -10.084 358 HH2 TRP 88 HH2 TRP 88 -0.872 -1.158 -11.902 359 H VAL 89 H VAL 89 -2.474 1.370 -5.069 360 HA VAL 89 HA VAL 89 -3.659 2.979 -2.911 361 HB VAL 89 HB VAL 89 -1.466 0.894 -2.454 362 HG11 VAL 89 1HG1 VAL 89 -1.228 2.851 -0.995 363 HG12 VAL 89 2HG1 VAL 89 -1.730 1.445 -0.053 364 HG13 VAL 89 3HG1 VAL 89 -2.908 2.691 -0.475 365 HG21 VAL 89 3HG2 VAL 89 -3.595 -0.264 -2.800 366 HG22 VAL 89 1HG2 VAL 89 -4.383 0.764 -1.601 367 HG23 VAL 89 2HG2 VAL 89 -3.121 -0.366 -1.103 368 H LEU 90 H LEU 90 -2.775 4.925 -3.080 369 HA LEU 90 HA LEU 90 -0.062 5.288 -4.168 370 HB2 LEU 90 2HB LEU 90 -1.812 6.774 -5.082 371 HB3 LEU 90 1HB LEU 90 -2.206 7.334 -3.462 372 HG LEU 90 HG LEU 90 0.006 8.405 -3.245 373 HD11 LEU 90 1HD1 LEU 90 0.590 7.443 -6.069 374 HD12 LEU 90 2HD1 LEU 90 1.376 6.891 -4.586 375 HD13 LEU 90 3HD1 LEU 90 1.583 8.555 -5.120 376 HD21 LEU 90 3HD2 LEU 90 -0.287 10.229 -4.841 377 HD22 LEU 90 1HD2 LEU 90 -1.844 9.724 -4.184 378 HD23 LEU 90 2HD2 LEU 90 -1.374 9.235 -5.815 379 H TYR 91 H TYR 91 1.140 4.518 -2.479 380 HA TYR 91 HA TYR 91 1.079 5.875 0.122 381 HB2 TYR 91 2HB TYR 91 1.602 3.486 0.210 382 HB3 TYR 91 1HB TYR 91 2.866 3.669 -1.006 383 HD1 TYR 91 HD1 TYR 91 2.031 5.354 2.265 384 HD2 TYR 91 HD2 TYR 91 5.029 3.422 -0.087 385 HE1 TYR 91 HE1 TYR 91 3.687 5.751 4.034 386 HE2 TYR 91 HE2 TYR 91 6.678 3.812 1.684 387 HH TYR 91 HH TYR 91 7.080 5.174 3.570 388 H LYS 92 H LYS 92 2.132 7.805 0.339 389 HA LYS 92 HA LYS 92 4.617 8.294 -1.199 390 HB2 LYS 92 2HB LYS 92 2.683 10.269 0.090 391 HB3 LYS 92 1HB LYS 92 4.168 10.718 -0.751 392 HG2 LYS 92 2HG LYS 92 3.274 9.870 -2.866 393 HG3 LYS 92 1HG LYS 92 1.825 9.267 -2.057 394 HD2 LYS 92 2HD LYS 92 2.639 12.199 -2.272 395 HD3 LYS 92 1HD LYS 92 1.419 11.401 -3.269 396 HE2 LYS 92 2HE LYS 92 0.014 11.014 -1.301 397 HE3 LYS 92 1HE LYS 92 1.260 11.673 -0.241 398 HZ1 LYS 92 3HZ LYS 92 -0.502 13.264 -0.704 399 HZ2 LYS 92 1HZ LYS 92 -0.157 13.192 -2.357 400 HZ3 LYS 92 2HZ LYS 92 0.987 13.817 -1.283 401 H GLY 93 H GLY 93 6.311 7.771 0.017 402 HA2 GLY 93 2HA GLY 93 7.367 9.047 2.150 403 HA3 GLY 93 1HA GLY 93 6.328 7.855 2.935 404 H ALA 94 H ALA 94 8.636 7.331 3.760 405 HA ALA 94 HA ALA 94 10.560 6.122 2.099 406 HB1 ALA 94 3HB ALA 94 10.158 5.790 5.092 407 HB2 ALA 94 1HB ALA 94 11.086 7.069 4.306 408 HB3 ALA 94 2HB ALA 94 11.629 5.394 4.197 409 H VAL 95 H VAL 95 10.147 4.368 0.921 410 HA VAL 95 HA VAL 95 8.419 2.203 1.770 411 HB VAL 95 HB VAL 95 10.199 2.377 -0.709 412 HG11 VAL 95 1HG1 VAL 95 9.570 0.051 -0.179 413 HG12 VAL 95 2HG1 VAL 95 8.748 0.596 -1.639 414 HG13 VAL 95 3HG1 VAL 95 7.865 0.507 -0.113 415 HG21 VAL 95 3HG2 VAL 95 7.249 3.056 -0.422 416 HG22 VAL 95 1HG2 VAL 95 8.163 3.045 -1.934 417 HG23 VAL 95 2HG2 VAL 95 8.560 4.211 -0.671 418 HA PRO 96 HA PRO 96 12.002 0.127 3.719 419 HB2 PRO 96 2HB PRO 96 10.667 -1.861 4.995 420 HB3 PRO 96 1HB PRO 96 10.568 -0.184 5.540 421 HG2 PRO 96 2HG PRO 96 8.607 -1.737 3.857 422 HG3 PRO 96 1HG PRO 96 8.289 -0.679 5.250 423 HD2 PRO 96 2HD PRO 96 8.017 0.157 2.641 424 HD3 PRO 96 1HD PRO 96 8.435 1.265 3.967 425 H ASP 97 H ASP 97 13.086 -1.939 3.547 426 HA ASP 97 HA ASP 97 12.987 -3.289 1.049 427 HB2 ASP 97 2HB ASP 97 14.235 -4.327 3.636 428 HB3 ASP 97 1HB ASP 97 14.605 -4.885 2.010 429 H THR 98 H THR 98 11.198 -3.664 3.934 430 HA THR 98 HA THR 98 10.475 -6.451 3.617 431 HB THR 98 HB THR 98 8.965 -5.892 5.629 432 HG1 THR 98 HG1 THR 98 9.001 -3.913 6.417 433 HG21 THR 98 3HG2 THR 98 11.151 -7.013 5.875 434 HG22 THR 98 1HG2 THR 98 10.841 -5.900 7.208 435 HG23 THR 98 2HG2 THR 98 11.953 -5.438 5.919 436 H PHE 99 H PHE 99 9.231 -3.374 2.531 437 HA PHE 99 HA PHE 99 6.653 -4.392 1.755 438 HB2 PHE 99 2HB PHE 99 6.985 -1.956 1.907 439 HB3 PHE 99 1HB PHE 99 8.268 -2.018 0.701 440 HD1 PHE 99 HD1 PHE 99 4.606 -2.481 1.219 441 HD2 PHE 99 HD2 PHE 99 7.733 -1.985 -1.655 442 HE1 PHE 99 HE1 PHE 99 2.938 -2.181 -0.559 443 HE2 PHE 99 HE2 PHE 99 6.056 -1.681 -3.421 444 HZ PHE 99 HZ PHE 99 3.660 -1.782 -2.875 445 H LYS 100 H LYS 100 6.556 -6.077 0.456 446 HA LYS 100 HA LYS 100 8.159 -6.307 -1.960 447 HB2 LYS 100 2HB LYS 100 9.011 -8.594 -1.253 448 HB3 LYS 100 1HB LYS 100 9.717 -7.241 -0.375 449 HG2 LYS 100 2HG LYS 100 8.053 -7.685 1.478 450 HG3 LYS 100 1HG LYS 100 7.577 -9.148 0.613 451 HD2 LYS 100 2HD LYS 100 9.794 -10.090 0.879 452 HD3 LYS 100 1HD LYS 100 10.407 -8.584 1.573 453 HE2 LYS 100 2HE LYS 100 8.978 -8.860 3.533 454 HE3 LYS 100 1HE LYS 100 8.227 -10.292 2.824 455 HZ1 LYS 100 3HZ LYS 100 11.092 -10.040 3.527 456 HZ2 LYS 100 1HZ LYS 100 10.332 -11.424 2.918 457 HZ3 LYS 100 2HZ LYS 100 9.932 -10.836 4.453 458 HA PRO 101 HA PRO 101 4.432 -8.358 -3.374 459 HB2 PRO 101 2HB PRO 101 5.466 -10.027 -5.324 460 HB3 PRO 101 1HB PRO 101 5.239 -8.290 -5.541 461 HG2 PRO 101 2HG PRO 101 7.742 -9.798 -4.819 462 HG3 PRO 101 1HG PRO 101 7.527 -8.476 -5.990 463 HD2 PRO 101 2HD PRO 101 8.534 -8.027 -3.522 464 HD3 PRO 101 1HD PRO 101 7.486 -6.834 -4.321 465 H GLY 102 H GLY 102 3.429 -9.792 -2.086 466 HA2 GLY 102 2HA GLY 102 2.989 -12.184 -1.731 467 HA3 GLY 102 1HA GLY 102 4.710 -12.404 -1.455 468 H VAL 103 H VAL 103 4.484 -9.632 0.087 469 HA VAL 103 HA VAL 103 3.910 -10.900 2.680 470 HB VAL 103 HB VAL 103 5.999 -9.455 2.305 471 HG11 VAL 103 1HG1 VAL 103 5.846 -7.024 2.522 472 HG12 VAL 103 2HG1 VAL 103 4.084 -7.110 2.601 473 HG13 VAL 103 3HG1 VAL 103 4.918 -7.557 1.116 474 HG21 VAL 103 3HG2 VAL 103 5.306 -10.133 4.548 475 HG22 VAL 103 1HG2 VAL 103 4.190 -8.766 4.649 476 HG23 VAL 103 2HG2 VAL 103 5.930 -8.485 4.588 477 H GLU 104 H GLU 104 2.287 -10.248 4.067 478 HA GLU 104 HA GLU 104 0.080 -8.664 3.120 479 HB2 GLU 104 2HB GLU 104 0.729 -9.834 5.866 480 HB3 GLU 104 1HB GLU 104 -0.770 -8.980 5.493 481 HG2 GLU 104 2HG GLU 104 -1.372 -10.699 3.843 482 HG3 GLU 104 1HG GLU 104 0.153 -11.539 4.141 483 H VAL 105 H VAL 105 -0.144 -6.532 3.355 484 HA VAL 105 HA VAL 105 1.363 -5.096 5.470 485 HB VAL 105 HB VAL 105 1.526 -3.076 4.086 486 HG11 VAL 105 1HG1 VAL 105 3.425 -4.626 4.023 487 HG12 VAL 105 2HG1 VAL 105 3.246 -3.805 2.474 488 HG13 VAL 105 3HG1 VAL 105 2.714 -5.479 2.649 489 HG21 VAL 105 3HG2 VAL 105 0.334 -4.685 1.792 490 HG22 VAL 105 1HG2 VAL 105 0.972 -3.042 1.683 491 HG23 VAL 105 2HG2 VAL 105 -0.467 -3.367 2.653 492 H ILE 106 H ILE 106 0.341 -3.420 6.441 493 HA ILE 106 HA ILE 106 -2.583 -3.173 6.150 494 HB ILE 106 HB ILE 106 -0.811 -2.581 8.586 495 HG12 ILE 106 2HG1 ILE 106 -2.725 -4.918 8.102 496 HG13 ILE 106 1HG1 ILE 106 -0.971 -5.024 8.196 497 HG21 ILE 106 1HG2 ILE 106 -2.794 -1.119 8.488 498 HG22 ILE 106 2HG2 ILE 106 -2.912 -2.255 9.827 499 HG23 ILE 106 3HG2 ILE 106 -3.845 -2.534 8.356 500 HD11 ILE 106 3HD1 ILE 106 -1.086 -4.334 10.565 501 HD12 ILE 106 1HD1 ILE 106 -1.983 -5.814 10.230 502 HD13 ILE 106 2HD1 ILE 106 -2.848 -4.297 10.448 503 H ILE 107 H ILE 107 -3.130 -1.287 5.213 504 HA ILE 107 HA ILE 107 -1.174 0.961 5.127 505 HB ILE 107 HB ILE 107 -2.369 1.726 3.085 506 HG12 ILE 107 2HG1 ILE 107 -3.993 -0.856 3.338 507 HG13 ILE 107 1HG1 ILE 107 -4.622 0.768 3.576 508 HG21 ILE 107 1HG2 ILE 107 -1.408 -1.156 2.884 509 HG22 ILE 107 2HG2 ILE 107 -0.395 0.287 2.824 510 HG23 ILE 107 3HG2 ILE 107 -1.555 -0.024 1.534 511 HD11 ILE 107 3HD1 ILE 107 -5.285 -0.100 1.446 512 HD12 ILE 107 1HD1 ILE 107 -3.606 -0.397 0.993 513 HD13 ILE 107 2HD1 ILE 107 -4.185 1.257 1.212 514 H GLU 108 H GLU 108 -1.750 2.948 5.851 515 HA GLU 108 HA GLU 108 -4.495 3.397 6.888 516 HB2 GLU 108 2HB GLU 108 -1.984 4.867 7.805 517 HB3 GLU 108 1HB GLU 108 -3.588 4.919 8.528 518 HG2 GLU 108 2HG GLU 108 -1.666 2.596 8.541 519 HG3 GLU 108 1HG GLU 108 -2.041 3.655 9.896 520 H GLY 109 H GLY 109 -5.468 5.337 6.336 521 HA2 GLY 109 2HA GLY 109 -4.498 7.703 5.442 522 HA3 GLY 109 1HA GLY 109 -4.458 6.725 3.975 523 H GLY 110 H GLY 110 -6.184 7.201 2.718 524 HA2 GLY 110 2HA GLY 110 -8.845 6.689 3.652 525 HA3 GLY 110 1HA GLY 110 -8.558 8.413 3.437 526 H LEU 111 H LEU 111 -10.208 6.293 2.016 527 HA LEU 111 HA LEU 111 -9.337 6.559 -0.766 528 HB2 LEU 111 2HB LEU 111 -10.363 4.442 0.004 529 HB3 LEU 111 1HB LEU 111 -11.808 5.301 0.510 530 HG LEU 111 HG LEU 111 -12.182 5.927 -1.938 531 HD11 LEU 111 1HD1 LEU 111 -9.894 5.592 -2.757 532 HD12 LEU 111 2HD1 LEU 111 -11.049 4.629 -3.671 533 HD13 LEU 111 3HD1 LEU 111 -10.024 3.854 -2.458 534 HD21 LEU 111 3HD2 LEU 111 -13.454 4.138 -0.846 535 HD22 LEU 111 1HD2 LEU 111 -12.201 2.968 -1.267 536 HD23 LEU 111 2HD2 LEU 111 -13.148 3.751 -2.536 537 H ALA 112 H ALA 112 -9.818 8.411 -1.828 538 HA ALA 112 HA ALA 112 -11.802 10.270 -0.739 539 HB1 ALA 112 3HB ALA 112 -10.803 11.900 -2.278 540 HB2 ALA 112 1HB ALA 112 -9.792 10.637 -2.988 541 HB3 ALA 112 2HB ALA 112 -9.566 11.113 -1.305 542 HA PRO 113 HA PRO 113 -14.907 9.017 -3.797 543 HB2 PRO 113 2HB PRO 113 -16.176 11.689 -3.323 544 HB3 PRO 113 1HB PRO 113 -16.840 10.068 -3.065 545 HG2 PRO 113 2HG PRO 113 -16.126 11.624 -0.989 546 HG3 PRO 113 1HG PRO 113 -15.875 9.864 -0.951 547 HD2 PRO 113 2HD PRO 113 -13.866 12.051 -1.529 548 HD3 PRO 113 1HD PRO 113 -13.702 10.613 -0.492 549 H GLY 114 H GLY 114 -13.569 9.066 -5.610 550 HA2 GLY 114 2HA GLY 114 -13.998 10.447 -7.851 551 HA3 GLY 114 1HA GLY 114 -12.936 11.572 -7.000 552 H GLU 115 H GLU 115 -11.233 9.958 -5.708 553 HA GLU 115 HA GLU 115 -9.692 8.599 -7.790 554 HB2 GLU 115 2HB GLU 115 -9.012 9.212 -4.874 555 HB3 GLU 115 1HB GLU 115 -7.945 8.398 -6.004 556 HG2 GLU 115 2HG GLU 115 -7.134 10.571 -5.978 557 HG3 GLU 115 1HG GLU 115 -8.108 10.516 -7.446 558 H ASP 116 H ASP 116 -10.166 6.540 -8.137 559 HA ASP 116 HA ASP 116 -11.418 4.742 -6.292 560 HB2 ASP 116 2HB ASP 116 -9.821 4.069 -8.813 561 HB3 ASP 116 1HB ASP 116 -10.891 2.961 -7.954 562 H THR 117 H THR 117 -8.231 5.824 -6.660 563 HA THR 117 HA THR 117 -6.867 3.560 -5.488 564 HB THR 117 HB THR 117 -5.637 4.978 -7.070 565 HG1 THR 117 HG1 THR 117 -4.717 4.132 -4.813 566 HG21 THR 117 3HG2 THR 117 -5.855 7.221 -5.036 567 HG22 THR 117 1HG2 THR 117 -6.681 7.175 -6.594 568 HG23 THR 117 2HG2 THR 117 -4.919 7.267 -6.531 569 H PHE 118 H PHE 118 -6.543 3.222 -3.351 570 HA PHE 118 HA PHE 118 -7.569 4.912 -1.290 571 HB2 PHE 118 2HB PHE 118 -7.396 2.382 -1.142 572 HB3 PHE 118 1HB PHE 118 -5.646 2.530 -1.064 573 HD1 PHE 118 HD1 PHE 118 -4.602 3.715 0.961 574 HD2 PHE 118 HD2 PHE 118 -8.746 2.666 0.799 575 HE1 PHE 118 HE1 PHE 118 -4.758 3.938 3.408 576 HE2 PHE 118 HE2 PHE 118 -8.883 2.886 3.233 577 HZ PHE 118 HZ PHE 118 -6.901 3.522 4.542 578 H LYS 119 H LYS 119 -6.507 6.785 -0.870 579 HA LYS 119 HA LYS 119 -3.716 7.188 -1.603 580 HB2 LYS 119 2HB LYS 119 -5.773 9.083 -0.367 581 HB3 LYS 119 1HB LYS 119 -4.209 9.556 -1.047 582 HG2 LYS 119 2HG LYS 119 -4.907 8.999 -3.279 583 HG3 LYS 119 1HG LYS 119 -6.324 8.122 -2.706 584 HD2 LYS 119 2HD LYS 119 -7.048 10.229 -3.642 585 HD3 LYS 119 1HD LYS 119 -7.302 10.265 -1.894 586 HE2 LYS 119 2HE LYS 119 -5.180 11.577 -1.667 587 HE3 LYS 119 1HE LYS 119 -5.043 11.602 -3.430 588 HZ1 LYS 119 3HZ LYS 119 -6.057 13.609 -2.702 589 HZ2 LYS 119 1HZ LYS 119 -7.219 12.776 -1.796 590 HZ3 LYS 119 2HZ LYS 119 -7.241 12.688 -3.482 591 H ALA 120 H ALA 120 -2.467 6.052 -0.222 592 HA ALA 120 HA ALA 120 -2.988 5.783 2.589 593 HB1 ALA 120 3HB ALA 120 -0.593 4.860 0.962 594 HB2 ALA 120 1HB ALA 120 -2.046 3.923 1.306 595 HB3 ALA 120 2HB ALA 120 -0.966 4.380 2.622 596 H ARG 121 H ARG 121 -2.315 7.043 4.120 597 HA ARG 121 HA ARG 121 -0.451 9.206 3.777 598 HB2 ARG 121 2HB ARG 121 -2.565 9.364 5.141 599 HB3 ARG 121 1HB ARG 121 -1.864 8.235 6.298 600 HG2 ARG 121 2HG ARG 121 -0.130 9.832 6.892 601 HG3 ARG 121 1HG ARG 121 -0.655 10.944 5.620 602 HD2 ARG 121 2HD ARG 121 -1.474 11.715 7.771 603 HD3 ARG 121 1HD ARG 121 -2.843 11.197 6.784 604 HE ARG 121 HE ARG 121 -1.724 9.258 8.666 605 HH11 ARG 121 1HH1 ARG 121 -4.327 11.521 8.005 606 HH12 ARG 121 2HH1 ARG 121 -5.367 10.853 9.219 607 HH21 ARG 121 1HH2 ARG 121 -3.089 8.403 10.241 608 HH22 ARG 121 2HH2 ARG 121 -4.669 9.087 10.488 609 H THR 122 H THR 122 -0.561 6.058 5.474 610 HA THR 122 HA THR 122 2.381 6.031 5.698 611 HB THR 122 HB THR 122 2.234 4.992 7.998 612 HG1 THR 122 HG1 THR 122 0.334 4.511 8.753 613 HG21 THR 122 3HG2 THR 122 1.072 7.801 7.906 614 HG22 THR 122 1HG2 THR 122 2.792 7.407 7.819 615 HG23 THR 122 2HG2 THR 122 1.877 7.054 9.286 616 H LEU 123 H LEU 123 3.184 3.822 6.205 617 HA LEU 123 HA LEU 123 1.493 1.593 5.235 618 HB2 LEU 123 2HB LEU 123 2.856 2.414 3.339 619 HB3 LEU 123 1HB LEU 123 4.307 2.342 4.317 620 HG LEU 123 HG LEU 123 3.991 -0.201 4.412 621 HD11 LEU 123 1HD1 LEU 123 1.617 -0.295 3.838 622 HD12 LEU 123 2HD1 LEU 123 2.579 -1.251 2.713 623 HD13 LEU 123 3HD1 LEU 123 1.963 0.330 2.224 624 HD21 LEU 123 3HD2 LEU 123 5.662 0.885 2.945 625 HD22 LEU 123 1HD2 LEU 123 4.458 1.017 1.664 626 HD23 LEU 123 2HD2 LEU 123 4.999 -0.573 2.212 627 H MET 124 H MET 124 1.783 -0.254 6.452 628 HA MET 124 HA MET 124 4.284 -0.604 7.992 629 HB2 MET 124 2HB MET 124 2.568 0.209 9.592 630 HB3 MET 124 1HB MET 124 1.487 -1.092 9.116 631 HG2 MET 124 2HG MET 124 3.135 -2.743 9.984 632 HG3 MET 124 1HG MET 124 4.163 -1.409 10.505 633 HE1 MET 124 3HE MET 124 0.178 -1.584 10.707 634 HE2 MET 124 1HE MET 124 -0.015 -2.287 12.308 635 HE3 MET 124 2HE MET 124 0.709 -3.239 11.006 636 H THR 125 H THR 125 5.180 -2.372 7.290 637 HA THR 125 HA THR 125 3.761 -4.507 5.933 638 HB THR 125 HB THR 125 6.084 -5.447 5.669 639 HG1 THR 125 HG1 THR 125 6.911 -4.585 7.691 640 HG21 THR 125 3HG2 THR 125 5.845 -2.487 4.983 641 HG22 THR 125 1HG2 THR 125 5.289 -3.835 3.990 642 HG23 THR 125 2HG2 THR 125 7.014 -3.603 4.272 643 H LYS 126 H LYS 126 3.464 -6.635 6.747 644 HA LYS 126 HA LYS 126 3.279 -6.913 9.594 645 HB2 LYS 126 2HB LYS 126 2.746 -8.792 7.289 646 HB3 LYS 126 1HB LYS 126 2.698 -9.381 8.942 647 HG2 LYS 126 2HG LYS 126 0.987 -7.045 8.041 648 HG3 LYS 126 1HG LYS 126 0.478 -8.717 7.828 649 HD2 LYS 126 2HD LYS 126 -0.565 -8.039 9.842 650 HD3 LYS 126 1HD LYS 126 0.812 -9.003 10.363 651 HE2 LYS 126 2HE LYS 126 2.062 -6.918 10.858 652 HE3 LYS 126 1HE LYS 126 0.668 -5.965 10.348 653 HZ1 LYS 126 3HZ LYS 126 0.699 -6.166 12.718 654 HZ2 LYS 126 1HZ LYS 126 0.791 -7.852 12.633 655 HZ3 LYS 126 2HZ LYS 126 -0.608 -7.058 12.123 656 H CYS 127 H CYS 127 5.673 -7.838 7.225 657 HA CYS 127 HA CYS 127 7.291 -9.287 9.167 658 HB2 CYS 127 2HB CYS 127 8.976 -9.310 7.303 659 HB3 CYS 127 1HB CYS 127 7.426 -10.003 6.840 660 HG CYS 127 HG CYS 127 7.598 -6.763 6.144 661 HA PRO 128 HA PRO 128 8.922 -5.266 10.730 662 HB2 PRO 128 2HB PRO 128 10.778 -7.086 12.235 663 HB3 PRO 128 1HB PRO 128 9.715 -5.812 12.846 664 HG2 PRO 128 2HG PRO 128 9.108 -8.394 13.225 665 HG3 PRO 128 1HG PRO 128 7.836 -7.205 12.868 666 HD2 PRO 128 2HD PRO 128 9.147 -9.194 11.007 667 HD3 PRO 128 1HD PRO 128 7.426 -8.764 11.168 668 H LEU 129 H LEU 129 10.988 -4.137 10.548 669 HA LEU 129 HA LEU 129 12.238 -4.490 8.084 670 HB2 LEU 129 2HB LEU 129 12.964 -2.814 10.492 671 HB3 LEU 129 1HB LEU 129 14.047 -2.880 9.114 672 HG LEU 129 HG LEU 129 12.222 -2.009 7.650 673 HD11 LEU 129 1HD1 LEU 129 10.629 -1.630 10.193 674 HD12 LEU 129 2HD1 LEU 129 10.249 -2.756 8.888 675 HD13 LEU 129 3HD1 LEU 129 10.197 -1.020 8.593 676 HD21 LEU 129 3HD2 LEU 129 12.880 -0.229 10.017 677 HD22 LEU 129 1HD2 LEU 129 12.326 0.314 8.429 678 HD23 LEU 129 2HD2 LEU 129 13.888 -0.482 8.589 679 H GLU 130 H GLU 130 13.284 -6.240 7.543 680 HA GLU 130 HA GLU 130 14.634 -7.996 9.338 681 HB2 GLU 130 2HB GLU 130 14.487 -8.029 6.292 682 HB3 GLU 130 1HB GLU 130 15.057 -9.361 7.299 683 HG2 GLU 130 2HG GLU 130 12.838 -9.631 8.257 684 HG3 GLU 130 1HG GLU 130 12.246 -8.219 7.384 Start of MODEL 3 1 H1 MET 43 1H MET 43 -23.358 22.068 16.835 2 H2 MET 43 2H MET 43 -24.271 22.958 15.730 3 H3 MET 43 3H MET 43 -22.589 23.112 15.757 4 HA MET 43 HA MET 43 -24.069 20.660 15.063 5 HB2 MET 43 2HB MET 43 -24.310 22.436 13.339 6 HB3 MET 43 1HB MET 43 -22.563 22.639 13.278 7 HG2 MET 43 2HG MET 43 -23.323 21.361 11.358 8 HG3 MET 43 1HG MET 43 -22.335 20.337 12.399 9 HE1 MET 43 3HE MET 43 -25.977 21.151 11.125 10 HE2 MET 43 1HE MET 43 -26.170 21.387 12.860 11 HE3 MET 43 2HE MET 43 -26.952 20.022 12.068 12 H ALA 44 H ALA 44 -22.794 19.380 16.427 13 HA ALA 44 HA ALA 44 -19.888 19.291 16.151 14 HB1 ALA 44 3HB ALA 44 -20.896 18.938 18.379 15 HB2 ALA 44 1HB ALA 44 -20.020 17.496 17.860 16 HB3 ALA 44 2HB ALA 44 -21.783 17.539 17.776 17 H THR 45 H THR 45 -19.512 18.643 14.038 18 HA THR 45 HA THR 45 -20.952 16.529 12.751 19 HB THR 45 HB THR 45 -19.200 16.828 10.914 20 HG1 THR 45 HG1 THR 45 -17.545 17.634 12.364 21 HG21 THR 45 3HG2 THR 45 -19.993 19.073 10.223 22 HG22 THR 45 1HG2 THR 45 -20.631 19.354 11.845 23 HG23 THR 45 2HG2 THR 45 -21.328 18.089 10.828 24 HA PRO 46 HA PRO 46 -17.987 13.264 14.042 25 HB2 PRO 46 2HB PRO 46 -19.681 11.203 14.112 26 HB3 PRO 46 1HB PRO 46 -19.836 12.500 15.308 27 HG2 PRO 46 2HG PRO 46 -21.490 11.982 12.852 28 HG3 PRO 46 1HG PRO 46 -22.005 12.555 14.448 29 HD2 PRO 46 2HD PRO 46 -21.454 14.184 12.173 30 HD3 PRO 46 1HD PRO 46 -21.695 14.752 13.842 31 H GLN 47 H GLN 47 -18.691 14.286 11.213 32 HA GLN 47 HA GLN 47 -19.109 11.986 9.527 33 HB2 GLN 47 2HB GLN 47 -18.429 14.843 8.716 34 HB3 GLN 47 1HB GLN 47 -19.161 13.601 7.704 35 HG2 GLN 47 2HG GLN 47 -21.168 13.670 9.241 36 HG3 GLN 47 1HG GLN 47 -20.431 15.057 10.045 37 HE21 GLN 47 1HE2 GLN 47 -22.013 16.514 9.453 38 HE22 GLN 47 2HE2 GLN 47 -22.295 17.021 7.828 39 H ASP 48 H ASP 48 -17.646 12.255 7.324 40 HA ASP 48 HA ASP 48 -15.037 11.321 7.963 41 HB2 ASP 48 2HB ASP 48 -16.082 12.289 5.271 42 HB3 ASP 48 1HB ASP 48 -14.629 11.324 5.533 43 H LYS 49 H LYS 49 -14.122 12.964 9.233 44 HA LYS 49 HA LYS 49 -12.545 14.882 7.715 45 HB2 LYS 49 2HB LYS 49 -14.442 16.266 8.466 46 HB3 LYS 49 1HB LYS 49 -14.287 15.646 10.102 47 HG2 LYS 49 2HG LYS 49 -13.416 17.836 10.169 48 HG3 LYS 49 1HG LYS 49 -12.008 16.778 10.201 49 HD2 LYS 49 2HD LYS 49 -13.005 18.019 7.609 50 HD3 LYS 49 1HD LYS 49 -11.941 18.911 8.694 51 HE2 LYS 49 2HE LYS 49 -10.215 17.162 8.437 52 HE3 LYS 49 1HE LYS 49 -11.288 16.246 7.386 53 HZ1 LYS 49 3HZ LYS 49 -10.210 18.941 6.826 54 HZ2 LYS 49 1HZ LYS 49 -11.253 18.074 5.817 55 HZ3 LYS 49 2HZ LYS 49 -9.691 17.499 6.122 56 H LEU 50 H LEU 50 -13.405 13.615 10.905 57 HA LEU 50 HA LEU 50 -10.584 13.362 11.699 58 HB2 LEU 50 2HB LEU 50 -11.299 12.930 13.915 59 HB3 LEU 50 1HB LEU 50 -12.253 14.277 13.338 60 HG LEU 50 HG LEU 50 -13.316 11.423 13.506 61 HD11 LEU 50 1HD1 LEU 50 -12.728 12.185 15.756 62 HD12 LEU 50 2HD1 LEU 50 -14.476 12.101 15.572 63 HD13 LEU 50 3HD1 LEU 50 -13.661 13.667 15.527 64 HD21 LEU 50 3HD2 LEU 50 -15.553 12.499 13.386 65 HD22 LEU 50 1HD2 LEU 50 -14.597 12.771 11.933 66 HD23 LEU 50 2HD2 LEU 50 -14.775 14.064 13.122 67 H HIS 51 H HIS 51 -12.757 11.619 9.972 68 HA HIS 51 HA HIS 51 -12.286 8.944 10.836 69 HB2 HIS 51 2HB HIS 51 -13.363 10.109 8.231 70 HB3 HIS 51 1HB HIS 51 -13.103 8.381 8.438 71 HD1 HIS 51 HD1 HIS 51 -15.588 7.882 8.169 72 HD2 HIS 51 HD2 HIS 51 -14.752 10.399 11.363 73 HE1 HIS 51 HE1 HIS 51 -17.694 7.979 9.512 74 HE2 HIS 51 HE2 HIS 51 -17.215 9.622 11.346 75 H THR 52 H THR 52 -10.704 7.629 10.333 76 HA THR 52 HA THR 52 -8.754 8.233 8.193 77 HB THR 52 HB THR 52 -8.085 6.967 10.911 78 HG1 THR 52 HG1 THR 52 -8.186 9.606 10.091 79 HG21 THR 52 3HG2 THR 52 -6.598 6.206 9.071 80 HG22 THR 52 1HG2 THR 52 -5.727 7.244 10.208 81 HG23 THR 52 2HG2 THR 52 -6.255 7.882 8.650 82 H VAL 53 H VAL 53 -8.558 6.534 6.790 83 HA VAL 53 HA VAL 53 -10.269 4.167 7.275 84 HB VAL 53 HB VAL 53 -9.091 5.168 4.630 85 HG11 VAL 53 1HG1 VAL 53 -10.742 3.654 3.548 86 HG12 VAL 53 2HG1 VAL 53 -11.242 3.070 5.139 87 HG13 VAL 53 3HG1 VAL 53 -9.603 2.768 4.563 88 HG21 VAL 53 3HG2 VAL 53 -11.344 6.034 4.092 89 HG22 VAL 53 1HG2 VAL 53 -10.664 6.831 5.511 90 HG23 VAL 53 2HG2 VAL 53 -11.905 5.591 5.708 91 H ARG 54 H ARG 54 -9.390 2.131 7.222 92 HA ARG 54 HA ARG 54 -6.531 1.743 6.643 93 HB2 ARG 54 2HB ARG 54 -6.730 2.099 9.083 94 HB3 ARG 54 1HB ARG 54 -7.948 0.834 9.186 95 HG2 ARG 54 2HG ARG 54 -6.308 -0.864 8.591 96 HG3 ARG 54 1HG ARG 54 -5.074 0.368 8.312 97 HD2 ARG 54 2HD ARG 54 -4.789 -0.767 10.492 98 HD3 ARG 54 1HD ARG 54 -5.085 0.960 10.688 99 HE ARG 54 HE ARG 54 -7.007 -1.222 11.239 100 HH11 ARG 54 1HH1 ARG 54 -6.106 2.148 11.646 101 HH12 ARG 54 2HH1 ARG 54 -7.266 2.425 12.900 102 HH21 ARG 54 1HH2 ARG 54 -8.499 -0.845 12.910 103 HH22 ARG 54 2HH2 ARG 54 -8.633 0.737 13.603 104 H LEU 55 H LEU 55 -6.331 0.121 5.252 105 HA LEU 55 HA LEU 55 -8.422 -1.987 5.085 106 HB2 LEU 55 2HB LEU 55 -8.091 -0.051 3.218 107 HB3 LEU 55 1HB LEU 55 -6.863 -1.150 2.639 108 HG LEU 55 HG LEU 55 -9.776 -1.951 3.001 109 HD11 LEU 55 1HD1 LEU 55 -8.426 -0.984 0.459 110 HD12 LEU 55 2HD1 LEU 55 -9.656 -0.120 1.383 111 HD13 LEU 55 3HD1 LEU 55 -10.067 -1.632 0.584 112 HD21 LEU 55 3HD2 LEU 55 -7.561 -3.291 1.410 113 HD22 LEU 55 1HD2 LEU 55 -9.244 -3.815 1.493 114 HD23 LEU 55 2HD2 LEU 55 -8.235 -3.868 2.933 115 H PHE 56 H PHE 56 -7.648 -4.096 4.607 116 HA PHE 56 HA PHE 56 -4.770 -4.548 5.189 117 HB2 PHE 56 2HB PHE 56 -7.192 -6.232 6.027 118 HB3 PHE 56 1HB PHE 56 -5.508 -6.639 6.349 119 HD1 PHE 56 HD2 PHE 56 -8.121 -4.039 7.064 120 HD2 PHE 56 HD1 PHE 56 -4.472 -5.863 8.354 121 HE1 PHE 56 HE2 PHE 56 -8.248 -2.802 9.187 122 HE2 PHE 56 HE1 PHE 56 -4.612 -4.617 10.473 123 HZ PHE 56 HZ PHE 56 -6.492 -3.091 10.892 124 H GLY 57 H GLY 57 -3.717 -6.109 3.948 125 HA2 GLY 57 2HA GLY 57 -4.864 -8.128 2.398 126 HA3 GLY 57 1HA GLY 57 -4.685 -6.718 1.353 127 H THR 58 H THR 58 -3.273 -8.242 0.174 128 HA THR 58 HA THR 58 -0.495 -8.331 1.243 129 HB THR 58 HB THR 58 -1.837 -10.273 -0.706 130 HG1 THR 58 HG1 THR 58 -1.770 -11.710 1.057 131 HG21 THR 58 3HG2 THR 58 0.178 -11.670 -0.406 132 HG22 THR 58 1HG2 THR 58 0.914 -10.411 0.596 133 HG23 THR 58 2HG2 THR 58 0.594 -10.111 -1.113 134 H VAL 59 H VAL 59 1.153 -7.716 -0.202 135 HA VAL 59 HA VAL 59 0.509 -5.877 -2.297 136 HB VAL 59 HB VAL 59 3.221 -7.109 -1.599 137 HG11 VAL 59 1HG1 VAL 59 4.208 -5.130 -2.712 138 HG12 VAL 59 2HG1 VAL 59 2.594 -4.565 -3.150 139 HG13 VAL 59 3HG1 VAL 59 3.218 -6.066 -3.833 140 HG21 VAL 59 3HG2 VAL 59 3.620 -5.085 -0.247 141 HG22 VAL 59 1HG2 VAL 59 2.233 -5.999 0.352 142 HG23 VAL 59 2HG2 VAL 59 1.981 -4.526 -0.586 143 H ALA 60 H ALA 60 0.076 -6.413 -4.390 144 HA ALA 60 HA ALA 60 0.987 -8.953 -5.564 145 HB1 ALA 60 3HB ALA 60 -1.358 -8.251 -5.969 146 HB2 ALA 60 1HB ALA 60 -0.444 -8.365 -7.479 147 HB3 ALA 60 2HB ALA 60 -0.785 -6.787 -6.763 148 H ALA 61 H ALA 61 2.160 -8.973 -7.554 149 HA ALA 61 HA ALA 61 4.154 -6.873 -7.877 150 HB1 ALA 61 3HB ALA 61 3.735 -9.466 -9.413 151 HB2 ALA 61 1HB ALA 61 4.809 -9.244 -8.030 152 HB3 ALA 61 2HB ALA 61 5.143 -8.408 -9.543 153 H ASP 62 H ASP 62 1.032 -7.400 -9.014 154 HA ASP 62 HA ASP 62 1.233 -6.580 -11.746 155 HB2 ASP 62 2HB ASP 62 -0.628 -8.001 -10.817 156 HB3 ASP 62 1HB ASP 62 -1.208 -6.616 -9.903 157 H GLY 63 H GLY 63 1.880 -4.575 -12.242 158 HA2 GLY 63 2HA GLY 63 1.903 -2.292 -12.432 159 HA3 GLY 63 1HA GLY 63 0.443 -2.236 -11.459 160 H LEU 64 H LEU 64 3.056 -3.910 -9.981 161 HA LEU 64 HA LEU 64 3.466 -1.937 -7.943 162 HB2 LEU 64 2HB LEU 64 3.738 -4.534 -7.779 163 HB3 LEU 64 1HB LEU 64 5.335 -4.286 -8.457 164 HG LEU 64 HG LEU 64 4.341 -3.095 -5.821 165 HD11 LEU 64 1HD1 LEU 64 6.213 -5.438 -6.254 166 HD12 LEU 64 2HD1 LEU 64 4.558 -5.518 -5.651 167 HD13 LEU 64 3HD1 LEU 64 5.798 -4.713 -4.696 168 HD21 LEU 64 3HD2 LEU 64 6.087 -1.672 -6.795 169 HD22 LEU 64 1HD2 LEU 64 7.157 -3.065 -6.960 170 HD23 LEU 64 2HD2 LEU 64 6.682 -2.496 -5.355 171 H THR 65 H THR 65 4.430 -0.122 -8.446 172 HA THR 65 HA THR 65 6.865 0.033 -10.064 173 HB THR 65 HB THR 65 4.376 1.714 -10.673 174 HG1 THR 65 HG1 THR 65 3.998 -0.399 -11.345 175 HG21 THR 65 3HG2 THR 65 5.589 2.396 -12.701 176 HG22 THR 65 1HG2 THR 65 6.977 1.418 -12.220 177 HG23 THR 65 2HG2 THR 65 6.510 2.823 -11.258 178 H MET 66 H MET 66 8.164 1.736 -9.358 179 HA MET 66 HA MET 66 7.415 3.054 -6.848 180 HB2 MET 66 2HB MET 66 10.060 3.025 -8.382 181 HB3 MET 66 1HB MET 66 9.812 3.809 -6.818 182 HG2 MET 66 2HG MET 66 9.608 0.840 -7.404 183 HG3 MET 66 1HG MET 66 10.887 1.657 -6.494 184 HE1 MET 66 3HE MET 66 8.786 -0.429 -3.792 185 HE2 MET 66 1HE MET 66 10.390 -0.222 -4.495 186 HE3 MET 66 2HE MET 66 9.081 -0.895 -5.468 187 H LEU 67 H LEU 67 7.346 5.357 -6.627 188 HA LEU 67 HA LEU 67 6.046 6.597 -8.838 189 HB2 LEU 67 2HB LEU 67 6.976 7.880 -6.244 190 HB3 LEU 67 1HB LEU 67 5.803 8.552 -7.369 191 HG LEU 67 HG LEU 67 5.456 6.102 -5.597 192 HD11 LEU 67 1HD1 LEU 67 3.963 8.737 -5.618 193 HD12 LEU 67 2HD1 LEU 67 5.158 8.220 -4.427 194 HD13 LEU 67 3HD1 LEU 67 3.628 7.358 -4.564 195 HD21 LEU 67 3HD2 LEU 67 3.175 5.862 -6.523 196 HD22 LEU 67 1HD2 LEU 67 4.420 5.572 -7.736 197 HD23 LEU 67 2HD2 LEU 67 3.534 7.098 -7.730 198 H ASP 68 H ASP 68 6.704 8.186 -10.221 199 HA ASP 68 HA ASP 68 9.420 8.053 -11.052 200 HB2 ASP 68 2HB ASP 68 7.688 8.229 -12.729 201 HB3 ASP 68 1HB ASP 68 7.037 9.694 -12.003 202 H GLY 69 H GLY 69 11.018 9.062 -9.988 203 HA2 GLY 69 2HA GLY 69 12.335 10.705 -9.084 204 HA3 GLY 69 1HA GLY 69 11.299 11.870 -9.890 205 H ALA 70 H ALA 70 10.019 9.618 -7.541 206 HA ALA 70 HA ALA 70 9.877 11.652 -5.421 207 HB1 ALA 70 3HB ALA 70 7.415 10.323 -6.622 208 HB2 ALA 70 1HB ALA 70 7.861 12.022 -6.807 209 HB3 ALA 70 2HB ALA 70 7.422 11.393 -5.218 210 HA PRO 71 HA PRO 71 10.541 7.813 -2.990 211 HB2 PRO 71 2HB PRO 71 9.672 9.604 -0.731 212 HB3 PRO 71 1HB PRO 71 11.111 8.579 -0.862 213 HG2 PRO 71 2HG PRO 71 11.314 11.236 -1.104 214 HG3 PRO 71 1HG PRO 71 12.278 10.157 -2.139 215 HD2 PRO 71 2HD PRO 71 9.748 11.672 -2.814 216 HD3 PRO 71 1HD PRO 71 11.217 11.441 -3.789 217 H GLY 72 H GLY 72 8.954 6.360 -3.208 218 HA2 GLY 72 2HA GLY 72 6.818 5.931 -1.627 219 HA3 GLY 72 1HA GLY 72 6.138 7.000 -2.857 220 H VAL 73 H VAL 73 4.896 4.763 -2.853 221 HA VAL 73 HA VAL 73 5.856 3.257 -5.162 222 HB VAL 73 HB VAL 73 6.767 1.995 -3.211 223 HG11 VAL 73 1HG1 VAL 73 5.273 0.786 -1.651 224 HG12 VAL 73 2HG1 VAL 73 3.869 1.587 -2.362 225 HG13 VAL 73 3HG1 VAL 73 5.084 2.534 -1.502 226 HG21 VAL 73 3HG2 VAL 73 5.950 -0.232 -3.882 227 HG22 VAL 73 1HG2 VAL 73 6.204 0.798 -5.292 228 HG23 VAL 73 2HG2 VAL 73 4.570 0.500 -4.698 229 H ARG 74 H ARG 74 4.272 2.505 -6.396 230 HA ARG 74 HA ARG 74 1.447 2.553 -5.519 231 HB2 ARG 74 2HB ARG 74 1.941 4.001 -7.479 232 HB3 ARG 74 1HB ARG 74 2.672 2.634 -8.316 233 HG2 ARG 74 2HG ARG 74 0.413 1.489 -8.242 234 HG3 ARG 74 1HG ARG 74 -0.256 2.996 -7.600 235 HD2 ARG 74 2HD ARG 74 1.096 2.605 -10.292 236 HD3 ARG 74 1HD ARG 74 -0.620 2.901 -10.006 237 HE ARG 74 HE ARG 74 0.293 5.102 -8.951 238 HH11 ARG 74 1HH1 ARG 74 1.526 3.566 -11.864 239 HH12 ARG 74 2HH1 ARG 74 2.045 5.064 -12.565 240 HH21 ARG 74 1HH2 ARG 74 1.011 7.045 -9.896 241 HH22 ARG 74 2HH2 ARG 74 1.750 7.014 -11.462 242 H PHE 75 H PHE 75 0.474 0.568 -5.391 243 HA PHE 75 HA PHE 75 1.377 -1.699 -6.967 244 HB2 PHE 75 2HB PHE 75 1.775 -3.207 -5.064 245 HB3 PHE 75 1HB PHE 75 2.900 -1.858 -5.030 246 HD1 PHE 75 HD2 PHE 75 2.557 0.002 -3.328 247 HD2 PHE 75 HD1 PHE 75 0.288 -3.623 -3.200 248 HE1 PHE 75 HE2 PHE 75 1.974 0.439 -0.976 249 HE2 PHE 75 HE1 PHE 75 -0.293 -3.172 -0.855 250 HZ PHE 75 HZ PHE 75 0.548 -1.144 0.260 251 H ARG 76 H ARG 76 -0.055 -3.587 -6.670 252 HA ARG 76 HA ARG 76 -2.835 -2.692 -6.292 253 HB2 ARG 76 2HB ARG 76 -1.904 -3.917 -8.429 254 HB3 ARG 76 1HB ARG 76 -1.984 -5.378 -7.450 255 HG2 ARG 76 2HG ARG 76 -4.441 -4.833 -7.051 256 HG3 ARG 76 1HG ARG 76 -4.274 -3.560 -8.265 257 HD2 ARG 76 2HD ARG 76 -5.192 -5.488 -9.360 258 HD3 ARG 76 1HD ARG 76 -3.514 -5.341 -9.896 259 HE ARG 76 HE ARG 76 -3.727 -7.037 -7.618 260 HH11 ARG 76 1HH1 ARG 76 -4.213 -7.047 -11.095 261 HH12 ARG 76 2HH1 ARG 76 -4.109 -8.772 -11.212 262 HH21 ARG 76 1HH2 ARG 76 -3.577 -9.258 -7.785 263 HH22 ARG 76 2HH2 ARG 76 -3.726 -10.025 -9.337 264 H LEU 77 H LEU 77 -3.522 -3.018 -4.261 265 HA LEU 77 HA LEU 77 -2.533 -5.066 -2.515 266 HB2 LEU 77 2HB LEU 77 -3.320 -2.771 -1.740 267 HB3 LEU 77 1HB LEU 77 -4.963 -3.286 -2.086 268 HG LEU 77 HG LEU 77 -4.569 -5.218 -0.433 269 HD11 LEU 77 1HD1 LEU 77 -2.774 -4.918 1.225 270 HD12 LEU 77 2HD1 LEU 77 -2.140 -3.559 0.296 271 HD13 LEU 77 3HD1 LEU 77 -2.136 -5.184 -0.397 272 HD21 LEU 77 3HD2 LEU 77 -4.490 -2.409 0.713 273 HD22 LEU 77 1HD2 LEU 77 -5.029 -3.862 1.553 274 HD23 LEU 77 2HD2 LEU 77 -5.941 -3.257 0.170 275 H GLU 78 H GLU 78 -3.204 -7.073 -2.644 276 HA GLU 78 HA GLU 78 -5.664 -8.000 -3.776 277 HB2 GLU 78 2HB GLU 78 -3.803 -9.528 -1.891 278 HB3 GLU 78 1HB GLU 78 -4.929 -10.210 -3.063 279 HG2 GLU 78 2HG GLU 78 -2.465 -8.586 -3.750 280 HG3 GLU 78 1HG GLU 78 -2.536 -10.349 -3.755 281 H ASP 79 H ASP 79 -7.357 -7.086 -2.759 282 HA ASP 79 HA ASP 79 -7.617 -6.371 -0.063 283 HB2 ASP 79 2HB ASP 79 -9.059 -5.298 -1.623 284 HB3 ASP 79 1HB ASP 79 -9.647 -6.824 -2.262 285 H LYS 80 H LYS 80 -8.415 -7.312 1.728 286 HA LYS 80 HA LYS 80 -8.778 -10.240 1.734 287 HB2 LYS 80 2HB LYS 80 -7.004 -9.221 3.146 288 HB3 LYS 80 1HB LYS 80 -8.213 -8.289 4.009 289 HG2 LYS 80 2HG LYS 80 -7.498 -10.195 5.344 290 HG3 LYS 80 1HG LYS 80 -9.198 -10.365 4.904 291 HD2 LYS 80 2HD LYS 80 -8.592 -11.985 3.138 292 HD3 LYS 80 1HD LYS 80 -6.880 -11.788 3.530 293 HE2 LYS 80 2HE LYS 80 -7.248 -12.738 5.758 294 HE3 LYS 80 1HE LYS 80 -8.988 -12.836 5.461 295 HZ1 LYS 80 3HZ LYS 80 -6.866 -14.339 4.038 296 HZ2 LYS 80 1HZ LYS 80 -8.515 -14.398 3.660 297 HZ3 LYS 80 2HZ LYS 80 -7.971 -14.967 5.153 298 H ASP 81 H ASP 81 -10.497 -7.248 2.344 299 HA ASP 81 HA ASP 81 -12.380 -8.155 4.263 300 HB2 ASP 81 2HB ASP 81 -11.919 -5.764 4.004 301 HB3 ASP 81 1HB ASP 81 -12.512 -5.791 2.345 302 H ASN 82 H ASN 82 -12.526 -7.904 0.742 303 HA ASN 82 HA ASN 82 -15.090 -9.423 0.698 304 HB2 ASN 82 2HB ASN 82 -14.210 -7.228 -1.234 305 HB3 ASN 82 1HB ASN 82 -15.637 -8.233 -1.461 306 HD21 ASN 82 1HD2 ASN 82 -16.322 -8.136 1.439 307 HD22 ASN 82 2HD2 ASN 82 -16.954 -6.556 1.698 308 H THR 83 H THR 83 -11.964 -8.815 -0.830 309 HA THR 83 HA THR 83 -10.592 -9.992 -2.151 310 HB THR 83 HB THR 83 -12.596 -12.295 -2.069 311 HG1 THR 83 HG1 THR 83 -11.739 -11.686 -0.004 312 HG21 THR 83 3HG2 THR 83 -10.703 -13.736 -2.696 313 HG22 THR 83 1HG2 THR 83 -9.641 -12.332 -2.805 314 HG23 THR 83 2HG2 THR 83 -10.970 -12.524 -3.950 315 H SER 84 H SER 84 -13.817 -9.248 -3.046 316 HA SER 84 HA SER 84 -13.693 -10.044 -5.812 317 HB2 SER 84 2HB SER 84 -15.959 -8.913 -5.871 318 HB3 SER 84 1HB SER 84 -15.813 -10.199 -4.672 319 HG SER 84 HG SER 84 -15.762 -7.403 -4.251 320 H LYS 85 H LYS 85 -12.068 -7.686 -4.352 321 HA LYS 85 HA LYS 85 -11.851 -6.083 -6.780 322 HB2 LYS 85 2HB LYS 85 -13.503 -4.880 -5.280 323 HB3 LYS 85 1HB LYS 85 -12.259 -4.787 -4.040 324 HG2 LYS 85 2HG LYS 85 -10.864 -3.413 -5.602 325 HG3 LYS 85 1HG LYS 85 -12.176 -3.468 -6.778 326 HD2 LYS 85 2HD LYS 85 -12.217 -1.334 -5.565 327 HD3 LYS 85 1HD LYS 85 -13.658 -2.279 -5.184 328 HE2 LYS 85 2HE LYS 85 -12.663 -2.952 -3.036 329 HE3 LYS 85 1HE LYS 85 -11.182 -2.079 -3.431 330 HZ1 LYS 85 3HZ LYS 85 -12.621 -0.827 -1.956 331 HZ2 LYS 85 1HZ LYS 85 -13.857 -0.862 -3.103 332 HZ3 LYS 85 2HZ LYS 85 -12.425 -0.028 -3.432 333 H THR 86 H THR 86 -9.820 -4.965 -6.877 334 HA THR 86 HA THR 86 -7.832 -5.531 -4.763 335 HB THR 86 HB THR 86 -6.092 -5.473 -6.661 336 HG1 THR 86 HG1 THR 86 -8.415 -5.942 -8.251 337 HG21 THR 86 3HG2 THR 86 -6.412 -7.842 -7.307 338 HG22 THR 86 1HG2 THR 86 -8.066 -7.796 -6.684 339 HG23 THR 86 2HG2 THR 86 -6.698 -7.615 -5.583 340 H VAL 87 H VAL 87 -6.783 -3.732 -4.036 341 HA VAL 87 HA VAL 87 -7.865 -1.135 -4.963 342 HB VAL 87 HB VAL 87 -6.587 -1.811 -2.268 343 HG11 VAL 87 1HG1 VAL 87 -8.263 0.603 -3.087 344 HG12 VAL 87 2HG1 VAL 87 -6.526 0.597 -2.772 345 HG13 VAL 87 3HG1 VAL 87 -7.657 0.273 -1.459 346 HG21 VAL 87 3HG2 VAL 87 -8.875 -1.955 -1.344 347 HG22 VAL 87 1HG2 VAL 87 -8.601 -3.182 -2.581 348 HG23 VAL 87 2HG2 VAL 87 -9.547 -1.742 -2.961 349 H TRP 88 H TRP 88 -6.483 0.290 -5.930 350 HA TRP 88 HA TRP 88 -3.642 -0.275 -6.090 351 HB2 TRP 88 2HB TRP 88 -5.387 1.922 -7.270 352 HB3 TRP 88 1HB TRP 88 -3.637 1.875 -7.491 353 HD1 TRP 88 HD1 TRP 88 -6.818 0.395 -8.911 354 HE1 TRP 88 HE1 TRP 88 -6.216 -1.265 -10.780 355 HE3 TRP 88 HE3 TRP 88 -1.777 0.037 -8.097 356 HZ2 TRP 88 HZ2 TRP 88 -3.917 -2.575 -11.763 357 HZ3 TRP 88 HZ3 TRP 88 -0.450 -1.457 -9.533 358 HH2 TRP 88 HH2 TRP 88 -1.503 -2.738 -11.331 359 H VAL 89 H VAL 89 -2.448 0.200 -4.328 360 HA VAL 89 HA VAL 89 -3.197 2.406 -2.566 361 HB VAL 89 HB VAL 89 -0.859 0.475 -2.261 362 HG11 VAL 89 1HG1 VAL 89 -0.939 1.132 0.123 363 HG12 VAL 89 2HG1 VAL 89 -2.252 2.259 -0.222 364 HG13 VAL 89 3HG1 VAL 89 -0.654 2.529 -0.917 365 HG21 VAL 89 3HG2 VAL 89 -2.954 -0.801 -2.392 366 HG22 VAL 89 1HG2 VAL 89 -3.677 0.213 -1.140 367 HG23 VAL 89 2HG2 VAL 89 -2.310 -0.834 -0.751 368 H LEU 90 H LEU 90 -2.584 4.308 -3.251 369 HA LEU 90 HA LEU 90 0.042 4.818 -4.443 370 HB2 LEU 90 2HB LEU 90 -1.995 5.901 -5.423 371 HB3 LEU 90 1HB LEU 90 -2.299 6.699 -3.888 372 HG LEU 90 HG LEU 90 -0.211 7.986 -4.105 373 HD11 LEU 90 1HD1 LEU 90 1.102 7.960 -6.193 374 HD12 LEU 90 2HD1 LEU 90 0.150 6.597 -6.782 375 HD13 LEU 90 3HD1 LEU 90 1.173 6.411 -5.355 376 HD21 LEU 90 3HD2 LEU 90 -1.975 8.198 -6.566 377 HD22 LEU 90 1HD2 LEU 90 -0.897 9.454 -5.950 378 HD23 LEU 90 2HD2 LEU 90 -2.289 8.945 -4.996 379 H TYR 91 H TYR 91 1.467 4.598 -2.834 380 HA TYR 91 HA TYR 91 1.156 6.021 -0.255 381 HB2 TYR 91 2HB TYR 91 1.669 3.618 -0.018 382 HB3 TYR 91 1HB TYR 91 3.071 3.781 -1.072 383 HD1 TYR 91 HD1 TYR 91 1.681 5.032 2.171 384 HD2 TYR 91 HD2 TYR 91 5.207 4.219 -0.090 385 HE1 TYR 91 HE1 TYR 91 3.053 5.570 4.131 386 HE2 TYR 91 HE2 TYR 91 6.584 4.740 1.883 387 HH TYR 91 HH TYR 91 6.413 6.017 3.980 388 H LYS 92 H LYS 92 2.238 7.927 -0.061 389 HA LYS 92 HA LYS 92 4.730 8.372 -1.601 390 HB2 LYS 92 2HB LYS 92 2.750 10.373 -0.416 391 HB3 LYS 92 1HB LYS 92 4.343 10.842 -0.987 392 HG2 LYS 92 2HG LYS 92 2.849 11.388 -2.741 393 HG3 LYS 92 1HG LYS 92 3.690 9.939 -3.273 394 HD2 LYS 92 2HD LYS 92 1.336 9.743 -3.852 395 HD3 LYS 92 1HD LYS 92 1.707 8.572 -2.587 396 HE2 LYS 92 2HE LYS 92 0.792 10.206 -0.903 397 HE3 LYS 92 1HE LYS 92 0.270 11.228 -2.243 398 HZ1 LYS 92 3HZ LYS 92 -0.609 8.436 -1.716 399 HZ2 LYS 92 1HZ LYS 92 -1.108 9.389 -3.023 400 HZ3 LYS 92 2HZ LYS 92 -1.519 9.838 -1.448 401 H GLY 93 H GLY 93 6.568 8.501 -0.508 402 HA2 GLY 93 2HA GLY 93 7.695 9.609 1.450 403 HA3 GLY 93 1HA GLY 93 6.579 8.684 2.454 404 H ALA 94 H ALA 94 8.669 7.938 3.392 405 HA ALA 94 HA ALA 94 10.481 6.306 1.982 406 HB1 ALA 94 3HB ALA 94 11.295 5.675 4.236 407 HB2 ALA 94 1HB ALA 94 9.876 6.439 4.961 408 HB3 ALA 94 2HB ALA 94 11.060 7.418 4.095 409 H VAL 95 H VAL 95 9.903 4.458 1.021 410 HA VAL 95 HA VAL 95 7.757 2.745 1.942 411 HB VAL 95 HB VAL 95 9.785 2.351 -0.314 412 HG11 VAL 95 1HG1 VAL 95 8.819 0.190 0.361 413 HG12 VAL 95 2HG1 VAL 95 8.227 0.664 -1.231 414 HG13 VAL 95 3HG1 VAL 95 7.185 0.841 0.183 415 HG21 VAL 95 3HG2 VAL 95 7.989 3.101 -1.825 416 HG22 VAL 95 1HG2 VAL 95 8.398 4.355 -0.650 417 HG23 VAL 95 2HG2 VAL 95 6.931 3.393 -0.443 418 HA PRO 96 HA PRO 96 10.288 0.255 4.775 419 HB2 PRO 96 2HB PRO 96 8.366 -1.922 3.942 420 HB3 PRO 96 1HB PRO 96 8.857 -1.418 5.567 421 HG2 PRO 96 2HG PRO 96 6.466 -0.715 4.603 422 HG3 PRO 96 1HG PRO 96 7.418 0.428 5.575 423 HD2 PRO 96 2HD PRO 96 6.992 0.363 2.600 424 HD3 PRO 96 1HD PRO 96 7.120 1.761 3.692 425 H ASP 97 H ASP 97 12.144 -0.958 4.427 426 HA ASP 97 HA ASP 97 12.858 -2.113 1.926 427 HB2 ASP 97 2HB ASP 97 14.011 -2.684 4.696 428 HB3 ASP 97 1HB ASP 97 14.758 -3.145 3.172 429 H THR 98 H THR 98 11.105 -3.264 4.668 430 HA THR 98 HA THR 98 11.114 -6.069 4.134 431 HB THR 98 HB THR 98 9.163 -6.035 5.788 432 HG1 THR 98 HG1 THR 98 8.625 -4.077 6.705 433 HG21 THR 98 3HG2 THR 98 11.475 -6.331 6.607 434 HG22 THR 98 1HG2 THR 98 10.533 -5.350 7.731 435 HG23 THR 98 2HG2 THR 98 11.690 -4.580 6.648 436 H PHE 99 H PHE 99 9.452 -3.430 2.715 437 HA PHE 99 HA PHE 99 7.087 -4.722 1.770 438 HB2 PHE 99 2HB PHE 99 7.182 -2.288 1.876 439 HB3 PHE 99 1HB PHE 99 8.584 -2.244 0.819 440 HD1 PHE 99 HD1 PHE 99 4.919 -2.764 0.939 441 HD2 PHE 99 HD2 PHE 99 8.344 -2.431 -1.603 442 HE1 PHE 99 HE1 PHE 99 3.461 -2.546 -1.027 443 HE2 PHE 99 HE2 PHE 99 6.869 -2.213 -3.553 444 HZ PHE 99 HZ PHE 99 4.430 -2.268 -3.268 445 H LYS 100 H LYS 100 6.769 -5.961 0.026 446 HA LYS 100 HA LYS 100 8.385 -6.098 -2.328 447 HB2 LYS 100 2HB LYS 100 9.080 -8.517 -1.990 448 HB3 LYS 100 1HB LYS 100 9.902 -7.386 -0.921 449 HG2 LYS 100 2HG LYS 100 8.385 -7.982 0.921 450 HG3 LYS 100 1HG LYS 100 7.522 -9.101 -0.140 451 HD2 LYS 100 2HD LYS 100 9.429 -10.559 -0.296 452 HD3 LYS 100 1HD LYS 100 10.484 -9.370 0.479 453 HE2 LYS 100 2HE LYS 100 8.141 -10.753 1.826 454 HE3 LYS 100 1HE LYS 100 9.834 -11.218 2.002 455 HZ1 LYS 100 3HZ LYS 100 10.300 -9.048 2.959 456 HZ2 LYS 100 1HZ LYS 100 9.093 -9.843 3.841 457 HZ3 LYS 100 2HZ LYS 100 8.679 -8.589 2.783 458 HA PRO 101 HA PRO 101 4.480 -7.992 -3.751 459 HB2 PRO 101 2HB PRO 101 5.324 -9.746 -5.711 460 HB3 PRO 101 1HB PRO 101 5.213 -7.997 -5.952 461 HG2 PRO 101 2HG PRO 101 7.631 -9.675 -5.285 462 HG3 PRO 101 1HG PRO 101 7.475 -8.359 -6.472 463 HD2 PRO 101 2HD PRO 101 8.598 -7.951 -4.040 464 HD3 PRO 101 1HD PRO 101 7.623 -6.692 -4.831 465 H GLY 102 H GLY 102 3.637 -9.191 -2.136 466 HA2 GLY 102 2HA GLY 102 2.912 -11.538 -1.782 467 HA3 GLY 102 1HA GLY 102 4.611 -11.974 -1.680 468 H VAL 103 H VAL 103 4.643 -9.120 -0.113 469 HA VAL 103 HA VAL 103 4.364 -10.369 2.521 470 HB VAL 103 HB VAL 103 6.303 -8.826 2.030 471 HG11 VAL 103 1HG1 VAL 103 6.014 -6.383 2.068 472 HG12 VAL 103 2HG1 VAL 103 4.259 -6.576 2.130 473 HG13 VAL 103 3HG1 VAL 103 5.153 -7.099 0.704 474 HG21 VAL 103 3HG2 VAL 103 4.532 -7.976 4.349 475 HG22 VAL 103 1HG2 VAL 103 6.271 -7.689 4.227 476 HG23 VAL 103 2HG2 VAL 103 5.653 -9.337 4.345 477 H GLU 104 H GLU 104 2.748 -9.945 3.991 478 HA GLU 104 HA GLU 104 0.305 -8.687 3.067 479 HB2 GLU 104 2HB GLU 104 1.001 -9.936 5.769 480 HB3 GLU 104 1HB GLU 104 -0.614 -9.421 5.273 481 HG2 GLU 104 2HG GLU 104 -0.512 -11.079 3.398 482 HG3 GLU 104 1HG GLU 104 1.041 -11.636 4.015 483 H VAL 105 H VAL 105 -0.013 -6.595 3.232 484 HA VAL 105 HA VAL 105 1.425 -4.998 5.282 485 HB VAL 105 HB VAL 105 1.224 -3.033 3.747 486 HG11 VAL 105 1HG1 VAL 105 3.014 -3.678 2.176 487 HG12 VAL 105 2HG1 VAL 105 2.748 -5.381 2.562 488 HG13 VAL 105 3HG1 VAL 105 3.327 -4.270 3.807 489 HG21 VAL 105 3HG2 VAL 105 0.665 -3.346 1.362 490 HG22 VAL 105 1HG2 VAL 105 -0.710 -3.750 2.394 491 HG23 VAL 105 2HG2 VAL 105 0.253 -5.035 1.666 492 H ILE 106 H ILE 106 0.390 -3.275 6.254 493 HA ILE 106 HA ILE 106 -2.557 -3.144 6.124 494 HB ILE 106 HB ILE 106 -0.693 -2.222 8.368 495 HG12 ILE 106 2HG1 ILE 106 -2.506 -4.681 8.323 496 HG13 ILE 106 1HG1 ILE 106 -0.752 -4.716 8.171 497 HG21 ILE 106 1HG2 ILE 106 -2.743 -1.899 9.704 498 HG22 ILE 106 2HG2 ILE 106 -3.733 -2.369 8.320 499 HG23 ILE 106 3HG2 ILE 106 -2.764 -0.895 8.255 500 HD11 ILE 106 3HD1 ILE 106 -1.448 -5.326 10.401 501 HD12 ILE 106 1HD1 ILE 106 -2.311 -3.798 10.589 502 HD13 ILE 106 2HD1 ILE 106 -0.551 -3.810 10.443 503 H ILE 107 H ILE 107 -3.133 -1.445 4.906 504 HA ILE 107 HA ILE 107 -1.423 0.965 4.733 505 HB ILE 107 HB ILE 107 -2.650 1.554 2.714 506 HG12 ILE 107 2HG1 ILE 107 -4.449 -0.870 3.236 507 HG13 ILE 107 1HG1 ILE 107 -4.937 0.811 3.385 508 HG21 ILE 107 1HG2 ILE 107 -2.076 -0.348 1.233 509 HG22 ILE 107 2HG2 ILE 107 -1.960 -1.417 2.631 510 HG23 ILE 107 3HG2 ILE 107 -0.817 -0.088 2.439 511 HD11 ILE 107 3HD1 ILE 107 -5.800 -0.111 1.361 512 HD12 ILE 107 1HD1 ILE 107 -4.198 -0.638 0.855 513 HD13 ILE 107 2HD1 ILE 107 -4.571 1.084 0.952 514 H GLU 108 H GLU 108 -2.208 2.957 5.431 515 HA GLU 108 HA GLU 108 -4.959 3.246 6.375 516 HB2 GLU 108 2HB GLU 108 -3.696 2.306 8.332 517 HB3 GLU 108 1HB GLU 108 -2.608 3.692 8.274 518 HG2 GLU 108 2HG GLU 108 -4.594 5.182 8.643 519 HG3 GLU 108 1HG GLU 108 -5.585 3.739 8.851 520 H GLY 109 H GLY 109 -5.613 5.401 6.443 521 HA2 GLY 109 2HA GLY 109 -4.336 7.769 6.370 522 HA3 GLY 109 1HA GLY 109 -4.144 7.200 4.707 523 H GLY 110 H GLY 110 -5.779 7.717 3.317 524 HA2 GLY 110 2HA GLY 110 -8.556 7.508 4.145 525 HA3 GLY 110 1HA GLY 110 -8.028 9.147 3.757 526 H LEU 111 H LEU 111 -10.033 7.687 2.415 527 HA LEU 111 HA LEU 111 -8.921 7.586 -0.336 528 HB2 LEU 111 2HB LEU 111 -9.676 5.345 0.434 529 HB3 LEU 111 1HB LEU 111 -11.249 6.007 0.854 530 HG LEU 111 HG LEU 111 -11.658 6.486 -1.579 531 HD11 LEU 111 1HD1 LEU 111 -10.209 5.467 -3.293 532 HD12 LEU 111 2HD1 LEU 111 -9.055 4.996 -2.043 533 HD13 LEU 111 3HD1 LEU 111 -9.354 6.704 -2.371 534 HD21 LEU 111 3HD2 LEU 111 -11.030 3.583 -0.946 535 HD22 LEU 111 1HD2 LEU 111 -12.079 4.155 -2.249 536 HD23 LEU 111 2HD2 LEU 111 -12.534 4.429 -0.569 537 H ALA 112 H ALA 112 -10.074 8.726 -1.892 538 HA ALA 112 HA ALA 112 -11.837 10.846 -0.976 539 HB1 ALA 112 3HB ALA 112 -11.610 11.689 -3.297 540 HB2 ALA 112 1HB ALA 112 -10.746 10.215 -3.752 541 HB3 ALA 112 2HB ALA 112 -10.035 11.332 -2.591 542 HA PRO 113 HA PRO 113 -15.648 8.721 -2.207 543 HB2 PRO 113 2HB PRO 113 -17.380 10.807 -2.379 544 HB3 PRO 113 1HB PRO 113 -16.706 10.290 -0.826 545 HG2 PRO 113 2HG PRO 113 -15.838 12.566 -2.605 546 HG3 PRO 113 1HG PRO 113 -16.096 12.555 -0.845 547 HD2 PRO 113 2HD PRO 113 -13.612 12.310 -1.968 548 HD3 PRO 113 1HD PRO 113 -14.037 11.561 -0.416 549 H GLY 114 H GLY 114 -14.443 8.203 -4.240 550 HA2 GLY 114 2HA GLY 114 -15.356 8.022 -6.596 551 HA3 GLY 114 1HA GLY 114 -15.218 9.782 -6.638 552 H GLU 115 H GLU 115 -13.367 6.823 -6.074 553 HA GLU 115 HA GLU 115 -11.085 7.545 -7.571 554 HB2 GLU 115 2HB GLU 115 -10.703 9.166 -5.712 555 HB3 GLU 115 1HB GLU 115 -10.736 7.851 -4.550 556 HG2 GLU 115 2HG GLU 115 -8.460 8.557 -4.961 557 HG3 GLU 115 1HG GLU 115 -8.692 6.906 -5.515 558 H ASP 116 H ASP 116 -9.785 5.772 -7.879 559 HA ASP 116 HA ASP 116 -10.553 3.217 -6.692 560 HB2 ASP 116 2HB ASP 116 -8.387 3.833 -8.761 561 HB3 ASP 116 1HB ASP 116 -9.018 2.236 -8.352 562 H THR 117 H THR 117 -7.857 5.523 -6.717 563 HA THR 117 HA THR 117 -6.022 3.670 -5.477 564 HB THR 117 HB THR 117 -4.326 5.434 -5.717 565 HG1 THR 117 HG1 THR 117 -5.396 7.325 -7.091 566 HG21 THR 117 3HG2 THR 117 -4.792 4.015 -7.682 567 HG22 THR 117 1HG2 THR 117 -4.340 5.648 -8.179 568 HG23 THR 117 2HG2 THR 117 -6.031 5.151 -8.221 569 H PHE 118 H PHE 118 -5.831 3.404 -3.361 570 HA PHE 118 HA PHE 118 -6.943 5.232 -1.425 571 HB2 PHE 118 2HB PHE 118 -6.981 2.758 -1.065 572 HB3 PHE 118 1HB PHE 118 -5.221 2.743 -0.999 573 HD1 PHE 118 HD2 PHE 118 -8.269 4.005 0.706 574 HD2 PHE 118 HD1 PHE 118 -4.065 3.314 1.051 575 HE1 PHE 118 HE2 PHE 118 -8.369 4.496 3.111 576 HE2 PHE 118 HE1 PHE 118 -4.186 3.822 3.457 577 HZ PHE 118 HZ PHE 118 -6.337 4.407 4.480 578 H LYS 119 H LYS 119 -5.867 6.793 -0.313 579 HA LYS 119 HA LYS 119 -3.032 7.285 -0.882 580 HB2 LYS 119 2HB LYS 119 -5.077 9.028 0.592 581 HB3 LYS 119 1HB LYS 119 -3.436 9.505 0.163 582 HG2 LYS 119 2HG LYS 119 -4.823 10.556 -1.440 583 HG3 LYS 119 1HG LYS 119 -4.114 9.182 -2.288 584 HD2 LYS 119 2HD LYS 119 -6.236 7.905 -1.928 585 HD3 LYS 119 1HD LYS 119 -6.928 9.316 -1.121 586 HE2 LYS 119 2HE LYS 119 -7.732 9.208 -3.415 587 HE3 LYS 119 1HE LYS 119 -6.669 10.604 -3.248 588 HZ1 LYS 119 3HZ LYS 119 -6.235 9.393 -5.281 589 HZ2 LYS 119 1HZ LYS 119 -5.921 7.974 -4.414 590 HZ3 LYS 119 2HZ LYS 119 -4.896 9.313 -4.256 591 H ALA 120 H ALA 120 -1.875 5.888 0.386 592 HA ALA 120 HA ALA 120 -2.614 5.310 3.135 593 HB1 ALA 120 3HB ALA 120 -0.212 4.381 1.521 594 HB2 ALA 120 1HB ALA 120 -1.742 3.519 1.697 595 HB3 ALA 120 2HB ALA 120 -0.700 3.761 3.101 596 H ARG 121 H ARG 121 -2.332 7.111 4.368 597 HA ARG 121 HA ARG 121 -0.151 8.864 4.548 598 HB2 ARG 121 2HB ARG 121 -2.335 9.176 5.714 599 HB3 ARG 121 1HB ARG 121 -1.951 7.835 6.786 600 HG2 ARG 121 2HG ARG 121 -0.019 9.153 7.676 601 HG3 ARG 121 1HG ARG 121 -0.501 10.503 6.646 602 HD2 ARG 121 2HD ARG 121 -2.103 9.293 8.930 603 HD3 ARG 121 1HD ARG 121 -1.327 10.883 8.900 604 HE ARG 121 HE ARG 121 -3.018 10.924 6.758 605 HH11 ARG 121 1HH1 ARG 121 -3.487 10.426 10.214 606 HH12 ARG 121 2HH1 ARG 121 -5.131 10.973 10.180 607 HH21 ARG 121 1HH2 ARG 121 -5.161 11.618 6.740 608 HH22 ARG 121 2HH2 ARG 121 -6.084 11.653 8.209 609 H THR 122 H THR 122 -0.597 5.616 5.759 610 HA THR 122 HA THR 122 2.213 5.395 6.566 611 HB THR 122 HB THR 122 1.506 4.004 8.556 612 HG1 THR 122 HG1 THR 122 -1.079 5.143 8.167 613 HG21 THR 122 3HG2 THR 122 0.499 6.878 8.654 614 HG22 THR 122 1HG2 THR 122 2.159 6.356 8.948 615 HG23 THR 122 2HG2 THR 122 0.871 5.870 10.052 616 H LEU 123 H LEU 123 3.091 3.459 6.033 617 HA LEU 123 HA LEU 123 1.413 1.223 5.085 618 HB2 LEU 123 2HB LEU 123 2.315 2.406 3.091 619 HB3 LEU 123 1HB LEU 123 3.942 2.288 3.741 620 HG LEU 123 HG LEU 123 3.774 -0.229 3.553 621 HD11 LEU 123 1HD1 LEU 123 1.347 -0.481 3.634 622 HD12 LEU 123 2HD1 LEU 123 1.993 -1.211 2.166 623 HD13 LEU 123 3HD1 LEU 123 1.187 0.358 2.087 624 HD21 LEU 123 3HD2 LEU 123 4.123 -0.318 1.123 625 HD22 LEU 123 1HD2 LEU 123 4.924 1.087 1.820 626 HD23 LEU 123 2HD2 LEU 123 3.406 1.286 0.938 627 H MET 124 H MET 124 1.859 -0.456 6.371 628 HA MET 124 HA MET 124 4.626 -0.911 7.326 629 HB2 MET 124 2HB MET 124 3.732 -1.726 9.487 630 HB3 MET 124 1HB MET 124 3.309 -0.042 9.227 631 HG2 MET 124 2HG MET 124 1.034 -0.611 8.733 632 HG3 MET 124 1HG MET 124 1.408 -2.331 8.685 633 HE1 MET 124 3HE MET 124 3.260 -2.780 11.193 634 HE2 MET 124 1HE MET 124 1.874 -3.812 10.842 635 HE3 MET 124 2HE MET 124 2.082 -3.137 12.456 636 H THR 125 H THR 125 5.262 -3.031 7.400 637 HA THR 125 HA THR 125 3.572 -5.041 6.062 638 HB THR 125 HB THR 125 5.676 -6.323 5.798 639 HG1 THR 125 HG1 THR 125 7.115 -5.896 7.304 640 HG21 THR 125 3HG2 THR 125 5.991 -3.411 4.961 641 HG22 THR 125 1HG2 THR 125 5.172 -4.675 4.041 642 HG23 THR 125 2HG2 THR 125 6.913 -4.763 4.305 643 H LYS 126 H LYS 126 3.297 -7.116 7.010 644 HA LYS 126 HA LYS 126 3.358 -7.249 9.930 645 HB2 LYS 126 2HB LYS 126 2.198 -9.154 7.849 646 HB3 LYS 126 1HB LYS 126 2.050 -9.359 9.594 647 HG2 LYS 126 2HG LYS 126 0.819 -7.169 9.686 648 HG3 LYS 126 1HG LYS 126 0.870 -7.116 7.918 649 HD2 LYS 126 2HD LYS 126 -0.439 -9.176 7.773 650 HD3 LYS 126 1HD LYS 126 -0.405 -9.367 9.532 651 HE2 LYS 126 2HE LYS 126 -1.689 -7.250 9.762 652 HE3 LYS 126 1HE LYS 126 -1.757 -7.116 8.003 653 HZ1 LYS 126 3HZ LYS 126 -3.778 -8.048 8.849 654 HZ2 LYS 126 1HZ LYS 126 -2.938 -9.269 9.657 655 HZ3 LYS 126 2HZ LYS 126 -2.953 -9.224 7.970 656 H CYS 127 H CYS 127 5.068 -8.472 7.170 657 HA CYS 127 HA CYS 127 6.587 -10.415 8.794 658 HB2 CYS 127 2HB CYS 127 6.445 -10.140 5.770 659 HB3 CYS 127 1HB CYS 127 7.261 -11.422 6.663 660 HG CYS 127 HG CYS 127 4.484 -11.856 7.884 661 HA PRO 128 HA PRO 128 10.015 -7.373 8.427 662 HB2 PRO 128 2HB PRO 128 11.784 -8.675 10.049 663 HB3 PRO 128 1HB PRO 128 10.421 -7.747 10.690 664 HG2 PRO 128 2HG PRO 128 10.662 -10.725 10.283 665 HG3 PRO 128 1HG PRO 128 10.015 -9.834 11.677 666 HD2 PRO 128 2HD PRO 128 8.412 -10.943 9.754 667 HD3 PRO 128 1HD PRO 128 7.958 -9.481 10.659 668 H LEU 129 H LEU 129 12.581 -7.884 8.126 669 HA LEU 129 HA LEU 129 12.871 -8.972 5.533 670 HB2 LEU 129 2HB LEU 129 14.965 -8.208 7.597 671 HB3 LEU 129 1HB LEU 129 15.365 -8.702 5.957 672 HG LEU 129 HG LEU 129 13.777 -6.225 6.740 673 HD11 LEU 129 1HD1 LEU 129 16.569 -6.461 5.573 674 HD12 LEU 129 2HD1 LEU 129 16.172 -6.016 7.235 675 HD13 LEU 129 3HD1 LEU 129 15.700 -4.959 5.907 676 HD21 LEU 129 3HD2 LEU 129 12.930 -7.097 4.621 677 HD22 LEU 129 1HD2 LEU 129 14.570 -7.197 3.970 678 HD23 LEU 129 2HD2 LEU 129 13.854 -5.626 4.337 679 H GLU 130 H GLU 130 12.395 -11.058 5.296 680 HA GLU 130 HA GLU 130 13.809 -13.118 6.883 681 HB2 GLU 130 2HB GLU 130 11.322 -13.131 7.061 682 HB3 GLU 130 1HB GLU 130 11.186 -13.302 5.314 683 HG2 GLU 130 2HG GLU 130 12.197 -15.509 5.402 684 HG3 GLU 130 1HG GLU 130 12.532 -15.331 7.125 Start of MODEL 4 1 H1 MET 43 1H MET 43 -16.272 32.191 8.438 2 H2 MET 43 2H MET 43 -15.716 31.136 9.633 3 H3 MET 43 3H MET 43 -17.359 31.187 9.263 4 HA MET 43 HA MET 43 -16.952 30.345 7.073 5 HB2 MET 43 2HB MET 43 -14.052 30.252 8.000 6 HB3 MET 43 1HB MET 43 -14.641 29.396 6.580 7 HG2 MET 43 2HG MET 43 -13.512 31.454 5.956 8 HG3 MET 43 1HG MET 43 -15.222 31.535 5.524 9 HE1 MET 43 3HE MET 43 -14.449 35.275 6.449 10 HE2 MET 43 1HE MET 43 -15.014 34.173 5.199 11 HE3 MET 43 2HE MET 43 -13.313 34.174 5.672 12 H ALA 44 H ALA 44 -17.965 28.439 7.259 13 HA ALA 44 HA ALA 44 -17.628 26.614 9.444 14 HB1 ALA 44 3HB ALA 44 -19.793 26.834 8.269 15 HB2 ALA 44 1HB ALA 44 -19.206 25.170 8.220 16 HB3 ALA 44 2HB ALA 44 -19.068 26.198 6.793 17 H THR 45 H THR 45 -15.464 26.043 9.494 18 HA THR 45 HA THR 45 -14.309 24.543 7.211 19 HB THR 45 HB THR 45 -12.783 25.798 9.546 20 HG1 THR 45 HG1 THR 45 -13.987 27.033 7.477 21 HG21 THR 45 3HG2 THR 45 -10.833 25.627 8.030 22 HG22 THR 45 1HG2 THR 45 -11.849 24.895 6.788 23 HG23 THR 45 2HG2 THR 45 -11.546 24.036 8.301 24 HA PRO 46 HA PRO 46 -14.894 21.224 10.388 25 HB2 PRO 46 2HB PRO 46 -15.505 19.184 8.712 26 HB3 PRO 46 1HB PRO 46 -16.701 20.410 9.160 27 HG2 PRO 46 2HG PRO 46 -15.076 20.179 6.636 28 HG3 PRO 46 1HG PRO 46 -16.786 20.620 6.825 29 HD2 PRO 46 2HD PRO 46 -14.729 22.463 6.482 30 HD3 PRO 46 1HD PRO 46 -16.285 22.844 7.248 31 H GLN 47 H GLN 47 -12.563 21.690 10.656 32 HA GLN 47 HA GLN 47 -10.587 20.164 9.227 33 HB2 GLN 47 2HB GLN 47 -10.027 22.275 10.446 34 HB3 GLN 47 1HB GLN 47 -10.398 21.479 11.971 35 HG2 GLN 47 2HG GLN 47 -8.547 19.805 11.401 36 HG3 GLN 47 1HG GLN 47 -8.089 20.894 10.091 37 HE21 GLN 47 1HE2 GLN 47 -6.065 21.328 10.985 38 HE22 GLN 47 2HE2 GLN 47 -5.853 22.285 12.413 39 H ASP 48 H ASP 48 -11.114 18.048 9.229 40 HA ASP 48 HA ASP 48 -12.101 16.667 11.580 41 HB2 ASP 48 2HB ASP 48 -12.927 16.262 9.202 42 HB3 ASP 48 1HB ASP 48 -11.384 15.498 8.845 43 H LYS 49 H LYS 49 -11.064 14.920 12.628 44 HA LYS 49 HA LYS 49 -8.139 14.620 12.207 45 HB2 LYS 49 2HB LYS 49 -9.642 14.591 14.876 46 HB3 LYS 49 1HB LYS 49 -7.915 14.312 14.671 47 HG2 LYS 49 2HG LYS 49 -9.374 16.914 14.078 48 HG3 LYS 49 1HG LYS 49 -8.382 16.583 15.502 49 HD2 LYS 49 2HD LYS 49 -6.381 16.346 14.076 50 HD3 LYS 49 1HD LYS 49 -7.361 16.608 12.627 51 HE2 LYS 49 2HE LYS 49 -7.896 18.894 13.413 52 HE3 LYS 49 1HE LYS 49 -6.916 18.630 14.859 53 HZ1 LYS 49 3HZ LYS 49 -4.980 18.379 13.468 54 HZ2 LYS 49 1HZ LYS 49 -5.728 19.860 13.156 55 HZ3 LYS 49 2HZ LYS 49 -5.902 18.574 12.068 56 H LEU 50 H LEU 50 -10.913 13.015 13.871 57 HA LEU 50 HA LEU 50 -9.613 10.405 13.463 58 HB2 LEU 50 2HB LEU 50 -11.919 11.213 15.267 59 HB3 LEU 50 1HB LEU 50 -11.275 9.583 15.155 60 HG LEU 50 HG LEU 50 -9.738 12.016 16.151 61 HD11 LEU 50 1HD1 LEU 50 -10.908 9.705 17.743 62 HD12 LEU 50 2HD1 LEU 50 -11.484 11.377 17.732 63 HD13 LEU 50 3HD1 LEU 50 -9.891 11.004 18.380 64 HD21 LEU 50 3HD2 LEU 50 -8.246 10.409 15.067 65 HD22 LEU 50 1HD2 LEU 50 -8.890 9.095 16.058 66 HD23 LEU 50 2HD2 LEU 50 -7.978 10.411 16.807 67 H HIS 51 H HIS 51 -10.390 11.007 11.081 68 HA HIS 51 HA HIS 51 -12.222 8.752 10.656 69 HB2 HIS 51 2HB HIS 51 -12.547 11.405 9.193 70 HB3 HIS 51 1HB HIS 51 -13.126 9.883 8.520 71 HD1 HIS 51 HD1 HIS 51 -13.767 12.329 11.281 72 HD2 HIS 51 HD2 HIS 51 -15.509 8.928 9.667 73 HE1 HIS 51 HE1 HIS 51 -16.033 12.175 12.350 74 HE2 HIS 51 HE2 HIS 51 -17.132 10.195 11.235 75 H THR 52 H THR 52 -9.787 8.319 10.809 76 HA THR 52 HA THR 52 -8.463 8.284 8.197 77 HB THR 52 HB THR 52 -7.573 7.091 10.873 78 HG1 THR 52 HG1 THR 52 -7.560 9.662 9.921 79 HG21 THR 52 3HG2 THR 52 -6.411 6.071 8.935 80 HG22 THR 52 1HG2 THR 52 -5.314 7.073 9.887 81 HG23 THR 52 2HG2 THR 52 -5.960 7.681 8.364 82 H VAL 53 H VAL 53 -8.212 6.375 6.995 83 HA VAL 53 HA VAL 53 -9.975 4.101 7.701 84 HB VAL 53 HB VAL 53 -8.818 4.846 4.971 85 HG11 VAL 53 1HG1 VAL 53 -10.971 2.817 5.698 86 HG12 VAL 53 2HG1 VAL 53 -9.334 2.446 5.144 87 HG13 VAL 53 3HG1 VAL 53 -10.472 3.243 4.057 88 HG21 VAL 53 3HG2 VAL 53 -11.626 5.377 6.033 89 HG22 VAL 53 1HG2 VAL 53 -11.077 5.671 4.377 90 HG23 VAL 53 2HG2 VAL 53 -10.389 6.597 5.713 91 H ARG 54 H ARG 54 -9.104 2.093 7.989 92 HA ARG 54 HA ARG 54 -6.283 1.572 7.232 93 HB2 ARG 54 2HB ARG 54 -6.463 1.813 9.695 94 HB3 ARG 54 1HB ARG 54 -7.751 0.613 9.738 95 HG2 ARG 54 2HG ARG 54 -6.206 -1.142 9.042 96 HG3 ARG 54 1HG ARG 54 -4.899 0.030 8.848 97 HD2 ARG 54 2HD ARG 54 -6.279 -0.655 11.480 98 HD3 ARG 54 1HD ARG 54 -4.706 -1.273 10.957 99 HE ARG 54 HE ARG 54 -4.759 1.582 10.946 100 HH11 ARG 54 1HH1 ARG 54 -4.417 -1.113 13.152 101 HH12 ARG 54 2HH1 ARG 54 -3.575 -0.168 14.334 102 HH21 ARG 54 1HH2 ARG 54 -3.651 2.768 12.464 103 HH22 ARG 54 2HH2 ARG 54 -3.128 2.030 13.943 104 H LEU 55 H LEU 55 -5.952 -0.281 6.130 105 HA LEU 55 HA LEU 55 -8.124 -2.239 5.704 106 HB2 LEU 55 2HB LEU 55 -8.049 -0.243 3.995 107 HB3 LEU 55 1HB LEU 55 -6.585 -0.978 3.386 108 HG LEU 55 HG LEU 55 -9.319 -2.338 3.369 109 HD11 LEU 55 1HD1 LEU 55 -9.335 -0.345 1.934 110 HD12 LEU 55 2HD1 LEU 55 -9.404 -1.814 0.968 111 HD13 LEU 55 3HD1 LEU 55 -7.890 -0.915 1.096 112 HD21 LEU 55 3HD2 LEU 55 -8.336 -3.909 1.759 113 HD22 LEU 55 1HD2 LEU 55 -7.468 -3.961 3.291 114 HD23 LEU 55 2HD2 LEU 55 -6.768 -3.113 1.912 115 H PHE 56 H PHE 56 -7.312 -4.313 5.384 116 HA PHE 56 HA PHE 56 -4.379 -4.757 5.542 117 HB2 PHE 56 2HB PHE 56 -6.665 -6.614 6.385 118 HB3 PHE 56 1HB PHE 56 -4.951 -6.967 6.547 119 HD1 PHE 56 HD2 PHE 56 -7.632 -4.642 7.764 120 HD2 PHE 56 HD1 PHE 56 -3.809 -6.396 8.544 121 HE1 PHE 56 HE2 PHE 56 -7.667 -3.721 10.038 122 HE2 PHE 56 HE1 PHE 56 -3.862 -5.473 10.820 123 HZ PHE 56 HZ PHE 56 -5.787 -4.136 11.569 124 H GLY 57 H GLY 57 -3.462 -6.172 3.984 125 HA2 GLY 57 2HA GLY 57 -4.921 -8.055 2.421 126 HA3 GLY 57 1HA GLY 57 -4.662 -6.586 1.483 127 H THR 58 H THR 58 -3.553 -8.424 0.218 128 HA THR 58 HA THR 58 -0.698 -8.643 1.000 129 HB THR 58 HB THR 58 -2.279 -10.422 -0.922 130 HG1 THR 58 HG1 THR 58 -2.030 -10.425 1.768 131 HG21 THR 58 3HG2 THR 58 -0.304 -11.911 -0.857 132 HG22 THR 58 1HG2 THR 58 0.558 -10.737 0.142 133 HG23 THR 58 2HG2 THR 58 0.121 -10.330 -1.521 134 H VAL 59 H VAL 59 0.785 -7.789 -0.309 135 HA VAL 59 HA VAL 59 0.146 -5.886 -2.326 136 HB VAL 59 HB VAL 59 2.845 -7.108 -1.573 137 HG11 VAL 59 1HG1 VAL 59 2.969 -6.052 -3.796 138 HG12 VAL 59 2HG1 VAL 59 3.873 -5.111 -2.607 139 HG13 VAL 59 3HG1 VAL 59 2.284 -4.563 -3.139 140 HG21 VAL 59 3HG2 VAL 59 1.553 -4.539 -0.604 141 HG22 VAL 59 1HG2 VAL 59 3.175 -5.098 -0.192 142 HG23 VAL 59 2HG2 VAL 59 1.765 -6.013 0.341 143 H ALA 60 H ALA 60 -0.339 -6.352 -4.422 144 HA ALA 60 HA ALA 60 0.556 -8.816 -5.695 145 HB1 ALA 60 3HB ALA 60 -1.063 -6.493 -6.802 146 HB2 ALA 60 1HB ALA 60 -1.713 -7.994 -6.138 147 HB3 ALA 60 2HB ALA 60 -0.762 -8.031 -7.625 148 H ALA 61 H ALA 61 1.973 -8.895 -7.406 149 HA ALA 61 HA ALA 61 3.974 -6.792 -7.663 150 HB1 ALA 61 3HB ALA 61 4.706 -9.144 -7.586 151 HB2 ALA 61 1HB ALA 61 5.152 -8.402 -9.126 152 HB3 ALA 61 2HB ALA 61 3.768 -9.492 -9.038 153 H ASP 62 H ASP 62 1.004 -7.578 -9.017 154 HA ASP 62 HA ASP 62 1.363 -6.848 -11.759 155 HB2 ASP 62 2HB ASP 62 -1.234 -6.950 -10.145 156 HB3 ASP 62 1HB ASP 62 -1.082 -7.003 -11.901 157 H GLY 63 H GLY 63 1.706 -4.820 -12.417 158 HA2 GLY 63 2HA GLY 63 1.442 -2.560 -12.736 159 HA3 GLY 63 1HA GLY 63 0.086 -2.585 -11.627 160 H LEU 64 H LEU 64 2.916 -3.934 -10.267 161 HA LEU 64 HA LEU 64 3.154 -1.812 -8.349 162 HB2 LEU 64 2HB LEU 64 3.577 -4.387 -8.039 163 HB3 LEU 64 1HB LEU 64 5.186 -4.044 -8.648 164 HG LEU 64 HG LEU 64 3.997 -2.678 -6.193 165 HD11 LEU 64 1HD1 LEU 64 4.121 -5.066 -5.764 166 HD12 LEU 64 2HD1 LEU 64 5.296 -4.185 -4.795 167 HD13 LEU 64 3HD1 LEU 64 5.825 -5.081 -6.221 168 HD21 LEU 64 3HD2 LEU 64 6.298 -2.064 -5.612 169 HD22 LEU 64 1HD2 LEU 64 5.837 -1.397 -7.177 170 HD23 LEU 64 2HD2 LEU 64 6.890 -2.812 -7.099 171 H THR 65 H THR 65 4.094 -0.006 -8.830 172 HA THR 65 HA THR 65 6.520 0.192 -10.486 173 HB THR 65 HB THR 65 5.436 2.457 -11.316 174 HG1 THR 65 HG1 THR 65 3.135 0.995 -10.476 175 HG21 THR 65 3HG2 THR 65 4.314 1.362 -13.219 176 HG22 THR 65 1HG2 THR 65 4.311 -0.174 -12.354 177 HG23 THR 65 2HG2 THR 65 5.839 0.556 -12.851 178 H MET 66 H MET 66 8.044 1.454 -9.564 179 HA MET 66 HA MET 66 7.533 2.712 -6.966 180 HB2 MET 66 2HB MET 66 10.169 2.561 -8.517 181 HB3 MET 66 1HB MET 66 9.969 2.993 -6.822 182 HG2 MET 66 2HG MET 66 9.475 0.267 -8.046 183 HG3 MET 66 1HG MET 66 10.854 0.732 -7.049 184 HE1 MET 66 3HE MET 66 9.179 1.182 -3.514 185 HE2 MET 66 1HE MET 66 9.489 2.456 -4.699 186 HE3 MET 66 2HE MET 66 10.696 1.196 -4.412 187 H LEU 67 H LEU 67 7.448 4.942 -6.690 188 HA LEU 67 HA LEU 67 6.938 6.626 -8.907 189 HB2 LEU 67 2HB LEU 67 7.611 7.376 -6.032 190 HB3 LEU 67 1HB LEU 67 6.910 8.459 -7.228 191 HG LEU 67 HG LEU 67 5.562 5.989 -6.039 192 HD11 LEU 67 1HD1 LEU 67 3.998 7.562 -4.994 193 HD12 LEU 67 2HD1 LEU 67 4.916 8.925 -5.640 194 HD13 LEU 67 3HD1 LEU 67 5.653 7.845 -4.456 195 HD21 LEU 67 3HD2 LEU 67 4.895 6.253 -8.380 196 HD22 LEU 67 1HD2 LEU 67 4.467 7.943 -8.095 197 HD23 LEU 67 2HD2 LEU 67 3.552 6.650 -7.311 198 H ASP 68 H ASP 68 8.390 7.414 -10.303 199 HA ASP 68 HA ASP 68 11.169 6.752 -10.049 200 HB2 ASP 68 2HB ASP 68 9.966 6.499 -12.186 201 HB3 ASP 68 1HB ASP 68 9.629 8.222 -12.243 202 H GLY 69 H GLY 69 12.503 7.968 -8.852 203 HA2 GLY 69 2HA GLY 69 13.787 9.758 -8.198 204 HA3 GLY 69 1HA GLY 69 13.008 10.743 -9.430 205 H ALA 70 H ALA 70 11.050 9.078 -7.120 206 HA ALA 70 HA ALA 70 10.780 11.356 -5.296 207 HB1 ALA 70 3HB ALA 70 8.315 11.383 -5.538 208 HB2 ALA 70 1HB ALA 70 8.424 10.181 -6.828 209 HB3 ALA 70 2HB ALA 70 9.109 11.789 -7.059 210 HA PRO 71 HA PRO 71 10.835 7.730 -2.586 211 HB2 PRO 71 2HB PRO 71 9.824 9.607 -0.472 212 HB3 PRO 71 1HB PRO 71 11.273 8.592 -0.476 213 HG2 PRO 71 2HG PRO 71 11.466 11.242 -0.795 214 HG3 PRO 71 1HG PRO 71 12.517 10.138 -1.709 215 HD2 PRO 71 2HD PRO 71 10.026 11.583 -2.640 216 HD3 PRO 71 1HD PRO 71 11.583 11.367 -3.475 217 H GLY 72 H GLY 72 9.198 6.345 -3.095 218 HA2 GLY 72 2HA GLY 72 6.944 5.975 -1.607 219 HA3 GLY 72 1HA GLY 72 6.403 7.027 -2.915 220 H VAL 73 H VAL 73 5.120 4.787 -2.896 221 HA VAL 73 HA VAL 73 6.125 3.233 -5.155 222 HB VAL 73 HB VAL 73 6.960 1.994 -3.167 223 HG11 VAL 73 1HG1 VAL 73 4.054 1.692 -2.325 224 HG12 VAL 73 2HG1 VAL 73 5.287 2.635 -1.491 225 HG13 VAL 73 3HG1 VAL 73 5.434 0.880 -1.575 226 HG21 VAL 73 3HG2 VAL 73 6.077 -0.248 -3.748 227 HG22 VAL 73 1HG2 VAL 73 6.393 0.714 -5.195 228 HG23 VAL 73 2HG2 VAL 73 4.739 0.499 -4.622 229 H ARG 74 H ARG 74 4.532 2.247 -6.326 230 HA ARG 74 HA ARG 74 1.701 2.611 -5.564 231 HB2 ARG 74 2HB ARG 74 2.412 4.141 -7.442 232 HB3 ARG 74 1HB ARG 74 2.909 2.734 -8.374 233 HG2 ARG 74 2HG ARG 74 0.744 3.502 -9.143 234 HG3 ARG 74 1HG ARG 74 0.573 1.919 -8.385 235 HD2 ARG 74 2HD ARG 74 -0.268 3.004 -6.327 236 HD3 ARG 74 1HD ARG 74 -0.091 4.589 -7.092 237 HE ARG 74 HE ARG 74 -1.971 2.476 -7.955 238 HH11 ARG 74 1HH1 ARG 74 -1.169 5.892 -7.735 239 HH12 ARG 74 2HH1 ARG 74 -2.657 6.407 -8.462 240 HH21 ARG 74 1HH2 ARG 74 -3.873 3.151 -8.951 241 HH22 ARG 74 2HH2 ARG 74 -4.182 4.838 -9.164 242 H PHE 75 H PHE 75 0.498 0.775 -5.691 243 HA PHE 75 HA PHE 75 1.096 -1.426 -7.454 244 HB2 PHE 75 2HB PHE 75 1.252 -3.168 -5.671 245 HB3 PHE 75 1HB PHE 75 2.608 -2.056 -5.624 246 HD1 PHE 75 HD2 PHE 75 2.672 -0.257 -3.802 247 HD2 PHE 75 HD1 PHE 75 -0.142 -3.486 -3.729 248 HE1 PHE 75 HE2 PHE 75 2.317 0.102 -1.391 249 HE2 PHE 75 HE1 PHE 75 -0.484 -3.119 -1.324 250 HZ PHE 75 HZ PHE 75 0.743 -1.338 -0.151 251 H ARG 76 H ARG 76 -0.635 -3.250 -6.990 252 HA ARG 76 HA ARG 76 -3.128 -1.978 -6.008 253 HB2 ARG 76 2HB ARG 76 -4.441 -3.365 -7.459 254 HB3 ARG 76 1HB ARG 76 -3.197 -2.599 -8.437 255 HG2 ARG 76 2HG ARG 76 -1.919 -4.741 -8.437 256 HG3 ARG 76 1HG ARG 76 -3.218 -5.487 -7.497 257 HD2 ARG 76 2HD ARG 76 -4.798 -4.812 -9.405 258 HD3 ARG 76 1HD ARG 76 -3.349 -4.429 -10.341 259 HE ARG 76 HE ARG 76 -3.123 -7.062 -9.341 260 HH11 ARG 76 1HH1 ARG 76 -5.041 -5.304 -11.688 261 HH12 ARG 76 2HH1 ARG 76 -5.300 -6.693 -12.696 262 HH21 ARG 76 1HH2 ARG 76 -3.473 -8.877 -10.650 263 HH22 ARG 76 2HH2 ARG 76 -4.402 -8.724 -12.110 264 H LEU 77 H LEU 77 -4.263 -3.015 -4.421 265 HA LEU 77 HA LEU 77 -2.735 -5.052 -2.939 266 HB2 LEU 77 2HB LEU 77 -3.242 -2.814 -1.840 267 HB3 LEU 77 1HB LEU 77 -4.945 -3.247 -1.873 268 HG LEU 77 HG LEU 77 -4.338 -5.316 -0.489 269 HD11 LEU 77 1HD1 LEU 77 -2.208 -5.306 0.713 270 HD12 LEU 77 2HD1 LEU 77 -1.692 -3.874 -0.183 271 HD13 LEU 77 3HD1 LEU 77 -1.959 -5.401 -1.030 272 HD21 LEU 77 3HD2 LEU 77 -4.237 -4.135 1.640 273 HD22 LEU 77 1HD2 LEU 77 -5.371 -3.338 0.551 274 HD23 LEU 77 2HD2 LEU 77 -3.772 -2.641 0.822 275 H GLU 78 H GLU 78 -3.487 -7.029 -2.980 276 HA GLU 78 HA GLU 78 -6.155 -7.718 -3.871 277 HB2 GLU 78 2HB GLU 78 -3.952 -9.525 -2.801 278 HB3 GLU 78 1HB GLU 78 -5.407 -10.046 -3.657 279 HG2 GLU 78 2HG GLU 78 -4.595 -8.673 -5.634 280 HG3 GLU 78 1HG GLU 78 -3.079 -8.447 -4.762 281 H ASP 79 H ASP 79 -7.606 -7.039 -2.399 282 HA ASP 79 HA ASP 79 -7.439 -7.892 0.414 283 HB2 ASP 79 2HB ASP 79 -7.965 -5.542 0.090 284 HB3 ASP 79 1HB ASP 79 -9.271 -5.927 -1.027 285 H LYS 80 H LYS 80 -9.171 -8.992 1.401 286 HA LYS 80 HA LYS 80 -10.349 -11.064 -0.312 287 HB2 LYS 80 2HB LYS 80 -10.379 -12.480 1.587 288 HB3 LYS 80 1HB LYS 80 -8.888 -11.583 1.755 289 HG2 LYS 80 2HG LYS 80 -11.451 -11.063 3.296 290 HG3 LYS 80 1HG LYS 80 -10.034 -11.906 3.913 291 HD2 LYS 80 2HD LYS 80 -10.147 -8.972 3.096 292 HD3 LYS 80 1HD LYS 80 -10.181 -9.579 4.752 293 HE2 LYS 80 2HE LYS 80 -7.887 -10.430 4.523 294 HE3 LYS 80 1HE LYS 80 -7.849 -9.958 2.822 295 HZ1 LYS 80 3HZ LYS 80 -6.713 -8.371 4.222 296 HZ2 LYS 80 1HZ LYS 80 -8.116 -8.113 5.126 297 HZ3 LYS 80 2HZ LYS 80 -8.062 -7.649 3.500 298 H ASP 81 H ASP 81 -11.290 -8.310 1.551 299 HA ASP 81 HA ASP 81 -13.942 -9.215 2.269 300 HB2 ASP 81 2HB ASP 81 -12.655 -7.731 3.760 301 HB3 ASP 81 1HB ASP 81 -12.603 -6.480 2.525 302 H ASN 82 H ASN 82 -12.509 -7.075 -0.154 303 HA ASN 82 HA ASN 82 -15.069 -6.284 -1.259 304 HB2 ASN 82 2HB ASN 82 -13.860 -4.919 -2.833 305 HB3 ASN 82 1HB ASN 82 -13.130 -4.699 -1.258 306 HD21 ASN 82 1HD2 ASN 82 -11.640 -7.403 -1.686 307 HD22 ASN 82 2HD2 ASN 82 -10.345 -6.936 -2.723 308 H THR 83 H THR 83 -15.949 -6.841 -3.224 309 HA THR 83 HA THR 83 -15.852 -9.673 -3.534 310 HB THR 83 HB THR 83 -18.029 -8.691 -3.548 311 HG1 THR 83 HG1 THR 83 -17.704 -10.449 -5.070 312 HG21 THR 83 3HG2 THR 83 -17.248 -7.014 -5.960 313 HG22 THR 83 1HG2 THR 83 -17.515 -6.410 -4.323 314 HG23 THR 83 2HG2 THR 83 -18.857 -7.095 -5.241 315 H SER 84 H SER 84 -13.713 -9.870 -4.234 316 HA SER 84 HA SER 84 -12.237 -10.693 -5.741 317 HB2 SER 84 2HB SER 84 -14.266 -11.957 -6.580 318 HB3 SER 84 1HB SER 84 -14.518 -10.680 -7.766 319 HG SER 84 HG SER 84 -12.880 -12.791 -7.880 320 H LYS 85 H LYS 85 -11.324 -8.558 -5.433 321 HA LYS 85 HA LYS 85 -10.999 -6.920 -7.793 322 HB2 LYS 85 2HB LYS 85 -13.252 -6.231 -6.987 323 HB3 LYS 85 1HB LYS 85 -12.585 -5.834 -5.408 324 HG2 LYS 85 2HG LYS 85 -11.247 -4.021 -6.440 325 HG3 LYS 85 1HG LYS 85 -11.918 -4.440 -8.024 326 HD2 LYS 85 2HD LYS 85 -14.207 -3.933 -7.156 327 HD3 LYS 85 1HD LYS 85 -13.497 -3.436 -5.615 328 HE2 LYS 85 2HE LYS 85 -14.025 -1.485 -7.018 329 HE3 LYS 85 1HE LYS 85 -12.281 -1.618 -6.782 330 HZ1 LYS 85 3HZ LYS 85 -13.737 -2.572 -9.191 331 HZ2 LYS 85 1HZ LYS 85 -12.067 -2.567 -8.968 332 HZ3 LYS 85 2HZ LYS 85 -12.906 -1.101 -9.085 333 H THR 86 H THR 86 -9.359 -5.334 -7.522 334 HA THR 86 HA THR 86 -7.804 -5.432 -5.007 335 HB THR 86 HB THR 86 -5.761 -4.964 -6.392 336 HG1 THR 86 HG1 THR 86 -7.314 -5.672 -8.663 337 HG21 THR 86 3HG2 THR 86 -7.199 -7.510 -7.223 338 HG22 THR 86 1HG2 THR 86 -6.245 -7.301 -5.750 339 HG23 THR 86 2HG2 THR 86 -5.460 -7.216 -7.329 340 H VAL 87 H VAL 87 -7.371 -3.511 -4.079 341 HA VAL 87 HA VAL 87 -8.250 -0.997 -5.378 342 HB VAL 87 HB VAL 87 -7.586 -1.507 -2.431 343 HG11 VAL 87 1HG1 VAL 87 -8.711 0.687 -2.007 344 HG12 VAL 87 2HG1 VAL 87 -8.907 0.915 -3.748 345 HG13 VAL 87 3HG1 VAL 87 -7.290 0.866 -3.042 346 HG21 VAL 87 3HG2 VAL 87 -9.569 -2.813 -3.096 347 HG22 VAL 87 1HG2 VAL 87 -10.331 -1.355 -3.744 348 HG23 VAL 87 2HG2 VAL 87 -10.025 -1.500 -2.010 349 H TRP 88 H TRP 88 -6.634 0.386 -6.100 350 HA TRP 88 HA TRP 88 -3.866 -0.366 -5.906 351 HB2 TRP 88 2HB TRP 88 -5.233 2.126 -7.001 352 HB3 TRP 88 1HB TRP 88 -3.488 1.915 -7.036 353 HD1 TRP 88 HD1 TRP 88 -6.691 0.489 -8.622 354 HE1 TRP 88 HE1 TRP 88 -6.043 -0.692 -10.808 355 HE3 TRP 88 HE3 TRP 88 -1.611 0.770 -8.233 356 HZ2 TRP 88 HZ2 TRP 88 -3.704 -1.416 -12.191 357 HZ3 TRP 88 HZ3 TRP 88 -0.234 -0.197 -10.029 358 HH2 TRP 88 HH2 TRP 88 -1.264 -1.270 -11.973 359 H VAL 89 H VAL 89 -2.295 0.450 -4.543 360 HA VAL 89 HA VAL 89 -3.109 2.429 -2.507 361 HB VAL 89 HB VAL 89 -0.861 0.370 -2.381 362 HG11 VAL 89 1HG1 VAL 89 -0.699 0.995 0.019 363 HG12 VAL 89 2HG1 VAL 89 -1.920 2.246 -0.224 364 HG13 VAL 89 3HG1 VAL 89 -0.355 2.372 -1.034 365 HG21 VAL 89 3HG2 VAL 89 -3.588 0.328 -1.028 366 HG22 VAL 89 1HG2 VAL 89 -2.288 -0.836 -0.749 367 HG23 VAL 89 2HG2 VAL 89 -3.059 -0.736 -2.335 368 H LEU 90 H LEU 90 -2.488 4.351 -3.206 369 HA LEU 90 HA LEU 90 0.144 4.798 -4.425 370 HB2 LEU 90 2HB LEU 90 -1.829 5.958 -5.417 371 HB3 LEU 90 1HB LEU 90 -2.137 6.739 -3.877 372 HG LEU 90 HG LEU 90 -0.025 8.011 -4.054 373 HD11 LEU 90 1HD1 LEU 90 1.336 7.974 -6.101 374 HD12 LEU 90 2HD1 LEU 90 0.368 6.634 -6.728 375 HD13 LEU 90 3HD1 LEU 90 1.349 6.416 -5.274 376 HD21 LEU 90 3HD2 LEU 90 -1.737 8.281 -6.554 377 HD22 LEU 90 1HD2 LEU 90 -0.644 9.508 -5.903 378 HD23 LEU 90 2HD2 LEU 90 -2.062 9.018 -4.983 379 H TYR 91 H TYR 91 1.528 4.463 -2.794 380 HA TYR 91 HA TYR 91 1.279 5.930 -0.246 381 HB2 TYR 91 2HB TYR 91 1.823 3.575 0.073 382 HB3 TYR 91 1HB TYR 91 3.150 3.670 -1.082 383 HD1 TYR 91 HD1 TYR 91 2.037 5.379 2.080 384 HD2 TYR 91 HD2 TYR 91 5.338 3.821 -0.150 385 HE1 TYR 91 HE1 TYR 91 3.562 5.988 3.906 386 HE2 TYR 91 HE2 TYR 91 6.862 4.419 1.680 387 HH TYR 91 HH TYR 91 6.963 5.996 3.551 388 H LYS 92 H LYS 92 2.282 7.842 -0.115 389 HA LYS 92 HA LYS 92 4.807 8.361 -1.575 390 HB2 LYS 92 2HB LYS 92 2.772 10.277 -0.334 391 HB3 LYS 92 1HB LYS 92 4.271 10.781 -1.119 392 HG2 LYS 92 2HG LYS 92 3.518 10.018 -3.267 393 HG3 LYS 92 1HG LYS 92 2.141 9.163 -2.557 394 HD2 LYS 92 2HD LYS 92 1.130 11.306 -1.898 395 HD3 LYS 92 1HD LYS 92 2.514 12.187 -2.555 396 HE2 LYS 92 2HE LYS 92 0.681 10.412 -4.207 397 HE3 LYS 92 1HE LYS 92 0.495 12.161 -4.048 398 HZ1 LYS 92 3HZ LYS 92 2.851 10.760 -5.186 399 HZ2 LYS 92 1HZ LYS 92 2.709 12.433 -4.997 400 HZ3 LYS 92 2HZ LYS 92 1.677 11.609 -6.052 401 H GLY 93 H GLY 93 6.583 8.997 -0.404 402 HA2 GLY 93 2HA GLY 93 7.620 9.748 1.706 403 HA3 GLY 93 1HA GLY 93 6.530 8.650 2.549 404 H ALA 94 H ALA 94 9.128 8.328 3.088 405 HA ALA 94 HA ALA 94 10.673 6.696 1.387 406 HB1 ALA 94 3HB ALA 94 10.769 6.876 4.417 407 HB2 ALA 94 1HB ALA 94 11.627 7.925 3.289 408 HB3 ALA 94 2HB ALA 94 12.037 6.212 3.383 409 H VAL 95 H VAL 95 10.555 4.582 0.889 410 HA VAL 95 HA VAL 95 8.282 3.020 1.758 411 HB VAL 95 HB VAL 95 10.518 2.266 -0.197 412 HG11 VAL 95 1HG1 VAL 95 9.299 0.280 0.627 413 HG12 VAL 95 2HG1 VAL 95 8.918 0.577 -1.071 414 HG13 VAL 95 3HG1 VAL 95 7.760 1.027 0.182 415 HG21 VAL 95 3HG2 VAL 95 8.953 2.934 -2.000 416 HG22 VAL 95 1HG2 VAL 95 9.337 4.301 -0.949 417 HG23 VAL 95 2HG2 VAL 95 7.787 3.473 -0.789 418 HA PRO 96 HA PRO 96 10.567 0.762 5.026 419 HB2 PRO 96 2HB PRO 96 8.766 -1.372 5.235 420 HB3 PRO 96 1HB PRO 96 8.584 0.180 6.061 421 HG2 PRO 96 2HG PRO 96 7.339 -0.742 3.477 422 HG3 PRO 96 1HG PRO 96 6.583 0.129 4.827 423 HD2 PRO 96 2HD PRO 96 7.313 1.437 2.605 424 HD3 PRO 96 1HD PRO 96 7.549 2.189 4.201 425 H ASP 97 H ASP 97 12.157 -0.766 4.896 426 HA ASP 97 HA ASP 97 12.792 -2.019 2.420 427 HB2 ASP 97 2HB ASP 97 14.682 -3.104 3.720 428 HB3 ASP 97 1HB ASP 97 14.632 -1.349 3.806 429 H THR 98 H THR 98 11.073 -3.134 5.249 430 HA THR 98 HA THR 98 11.125 -5.941 4.646 431 HB THR 98 HB THR 98 10.681 -5.206 6.926 432 HG1 THR 98 HG1 THR 98 9.682 -7.091 6.800 433 HG21 THR 98 3HG2 THR 98 8.611 -4.046 7.583 434 HG22 THR 98 1HG2 THR 98 8.109 -3.948 5.891 435 HG23 THR 98 2HG2 THR 98 9.533 -3.069 6.443 436 H PHE 99 H PHE 99 9.369 -3.277 3.308 437 HA PHE 99 HA PHE 99 7.099 -4.669 2.250 438 HB2 PHE 99 2HB PHE 99 6.978 -2.240 2.400 439 HB3 PHE 99 1HB PHE 99 8.414 -2.052 1.399 440 HD1 PHE 99 HD1 PHE 99 4.842 -3.123 1.351 441 HD2 PHE 99 HD2 PHE 99 8.230 -2.003 -1.005 442 HE1 PHE 99 HE1 PHE 99 3.430 -3.019 -0.653 443 HE2 PHE 99 HE2 PHE 99 6.805 -1.899 -3.002 444 HZ PHE 99 HZ PHE 99 4.404 -2.409 -2.829 445 H LYS 100 H LYS 100 6.857 -5.740 0.366 446 HA LYS 100 HA LYS 100 8.743 -5.787 -1.789 447 HB2 LYS 100 2HB LYS 100 9.282 -8.274 -1.475 448 HB3 LYS 100 1HB LYS 100 10.047 -7.191 -0.314 449 HG2 LYS 100 2HG LYS 100 8.194 -7.747 1.314 450 HG3 LYS 100 1HG LYS 100 7.623 -8.957 0.154 451 HD2 LYS 100 2HD LYS 100 9.723 -10.183 0.350 452 HD3 LYS 100 1HD LYS 100 10.402 -8.928 1.391 453 HE2 LYS 100 2HE LYS 100 8.725 -9.466 3.128 454 HE3 LYS 100 1HE LYS 100 8.032 -10.707 2.078 455 HZ1 LYS 100 3HZ LYS 100 10.133 -11.869 2.124 456 HZ2 LYS 100 1HZ LYS 100 9.545 -11.645 3.690 457 HZ3 LYS 100 2HZ LYS 100 10.803 -10.681 3.121 458 HA PRO 101 HA PRO 101 5.010 -7.243 -3.917 459 HB2 PRO 101 2HB PRO 101 6.751 -9.039 -5.593 460 HB3 PRO 101 1HB PRO 101 5.657 -7.740 -6.097 461 HG2 PRO 101 2HG PRO 101 8.318 -7.414 -6.179 462 HG3 PRO 101 1HG PRO 101 7.248 -6.079 -5.722 463 HD2 PRO 101 2HD PRO 101 8.910 -7.861 -3.944 464 HD3 PRO 101 1HD PRO 101 8.660 -6.101 -3.861 465 H GLY 102 H GLY 102 3.750 -8.569 -2.671 466 HA2 GLY 102 2HA GLY 102 2.814 -10.795 -2.630 467 HA3 GLY 102 1HA GLY 102 4.435 -11.468 -2.555 468 H VAL 103 H VAL 103 4.592 -8.885 -0.492 469 HA VAL 103 HA VAL 103 4.156 -10.588 1.862 470 HB VAL 103 HB VAL 103 6.170 -9.012 1.687 471 HG11 VAL 103 1HG1 VAL 103 4.158 -6.814 2.284 472 HG12 VAL 103 2HG1 VAL 103 5.036 -7.017 0.770 473 HG13 VAL 103 3HG1 VAL 103 5.916 -6.632 2.249 474 HG21 VAL 103 3HG2 VAL 103 6.159 -8.394 4.083 475 HG22 VAL 103 1HG2 VAL 103 5.516 -10.024 3.841 476 HG23 VAL 103 2HG2 VAL 103 4.418 -8.676 4.152 477 H GLU 104 H GLU 104 2.614 -10.084 3.506 478 HA GLU 104 HA GLU 104 0.266 -8.590 2.736 479 HB2 GLU 104 2HB GLU 104 1.086 -9.923 5.346 480 HB3 GLU 104 1HB GLU 104 -0.474 -9.147 5.083 481 HG2 GLU 104 2HG GLU 104 -1.008 -10.764 3.314 482 HG3 GLU 104 1HG GLU 104 0.574 -11.529 3.507 483 H VAL 105 H VAL 105 -0.375 -6.662 3.600 484 HA VAL 105 HA VAL 105 1.435 -5.102 5.329 485 HB VAL 105 HB VAL 105 1.048 -3.033 3.939 486 HG11 VAL 105 1HG1 VAL 105 2.730 -3.520 2.198 487 HG12 VAL 105 2HG1 VAL 105 2.542 -5.249 2.497 488 HG13 VAL 105 3HG1 VAL 105 3.184 -4.202 3.763 489 HG21 VAL 105 3HG2 VAL 105 0.304 -3.220 1.589 490 HG22 VAL 105 1HG2 VAL 105 -0.969 -3.733 2.702 491 HG23 VAL 105 2HG2 VAL 105 -0.030 -4.939 1.818 492 H ILE 106 H ILE 106 0.465 -3.452 6.485 493 HA ILE 106 HA ILE 106 -2.464 -3.230 6.558 494 HB ILE 106 HB ILE 106 -0.390 -2.280 8.615 495 HG12 ILE 106 2HG1 ILE 106 -2.198 -4.733 8.778 496 HG13 ILE 106 1HG1 ILE 106 -0.455 -4.760 8.540 497 HG21 ILE 106 1HG2 ILE 106 -2.322 -1.891 10.107 498 HG22 ILE 106 2HG2 ILE 106 -3.424 -2.367 8.811 499 HG23 ILE 106 3HG2 ILE 106 -2.424 -0.922 8.637 500 HD11 ILE 106 3HD1 ILE 106 -0.127 -3.822 10.770 501 HD12 ILE 106 1HD1 ILE 106 -1.080 -5.303 10.832 502 HD13 ILE 106 2HD1 ILE 106 -1.874 -3.741 11.002 503 H ILE 107 H ILE 107 -2.933 -1.639 5.111 504 HA ILE 107 HA ILE 107 -1.198 0.738 4.835 505 HB ILE 107 HB ILE 107 -2.546 1.322 2.853 506 HG12 ILE 107 2HG1 ILE 107 -4.135 -1.246 3.342 507 HG13 ILE 107 1HG1 ILE 107 -4.744 0.377 3.632 508 HG21 ILE 107 1HG2 ILE 107 -0.609 -0.152 2.537 509 HG22 ILE 107 2HG2 ILE 107 -1.867 -0.516 1.354 510 HG23 ILE 107 3HG2 ILE 107 -1.632 -1.576 2.750 511 HD11 ILE 107 3HD1 ILE 107 -5.628 -0.503 1.578 512 HD12 ILE 107 1HD1 ILE 107 -4.004 -0.800 0.960 513 HD13 ILE 107 2HD1 ILE 107 -4.558 0.852 1.221 514 H GLU 108 H GLU 108 -1.955 2.785 5.325 515 HA GLU 108 HA GLU 108 -4.622 3.132 6.454 516 HB2 GLU 108 2HB GLU 108 -3.350 2.363 8.397 517 HB3 GLU 108 1HB GLU 108 -2.072 3.535 8.085 518 HG2 GLU 108 2HG GLU 108 -3.421 5.361 8.741 519 HG3 GLU 108 1HG GLU 108 -4.908 4.419 8.624 520 H GLY 109 H GLY 109 -5.340 5.194 6.314 521 HA2 GLY 109 2HA GLY 109 -4.144 7.618 5.980 522 HA3 GLY 109 1HA GLY 109 -4.087 6.908 4.366 523 H GLY 110 H GLY 110 -5.875 7.129 3.103 524 HA2 GLY 110 2HA GLY 110 -8.528 6.840 4.159 525 HA3 GLY 110 1HA GLY 110 -8.169 8.492 3.666 526 H LEU 111 H LEU 111 -10.156 6.963 2.503 527 HA LEU 111 HA LEU 111 -9.231 6.893 -0.300 528 HB2 LEU 111 2HB LEU 111 -9.451 4.557 0.477 529 HB3 LEU 111 1HB LEU 111 -11.079 4.867 1.040 530 HG LEU 111 HG LEU 111 -11.897 5.091 -1.255 531 HD11 LEU 111 1HD1 LEU 111 -9.046 4.677 -2.180 532 HD12 LEU 111 2HD1 LEU 111 -9.977 6.174 -2.292 533 HD13 LEU 111 3HD1 LEU 111 -10.474 4.759 -3.216 534 HD21 LEU 111 3HD2 LEU 111 -11.798 2.820 -0.312 535 HD22 LEU 111 1HD2 LEU 111 -10.177 2.598 -0.980 536 HD23 LEU 111 2HD2 LEU 111 -11.563 2.796 -2.059 537 H ALA 112 H ALA 112 -10.493 8.021 -1.615 538 HA ALA 112 HA ALA 112 -12.890 9.383 -0.508 539 HB1 ALA 112 3HB ALA 112 -12.488 11.123 -2.198 540 HB2 ALA 112 1HB ALA 112 -11.107 10.213 -2.825 541 HB3 ALA 112 2HB ALA 112 -11.060 10.876 -1.189 542 HA PRO 113 HA PRO 113 -15.691 7.222 -3.349 543 HB2 PRO 113 2HB PRO 113 -16.913 9.965 -3.743 544 HB3 PRO 113 1HB PRO 113 -17.701 8.425 -3.357 545 HG2 PRO 113 2HG PRO 113 -17.338 10.238 -1.442 546 HG3 PRO 113 1HG PRO 113 -17.072 8.517 -1.098 547 HD2 PRO 113 2HD PRO 113 -15.038 10.687 -1.574 548 HD3 PRO 113 1HD PRO 113 -15.002 9.334 -0.421 549 H GLY 114 H GLY 114 -14.325 10.356 -4.328 550 HA2 GLY 114 2HA GLY 114 -14.557 9.796 -7.191 551 HA3 GLY 114 1HA GLY 114 -13.992 11.281 -6.444 552 H GLU 115 H GLU 115 -12.819 8.003 -5.808 553 HA GLU 115 HA GLU 115 -10.676 8.043 -7.666 554 HB2 GLU 115 2HB GLU 115 -8.723 8.214 -6.263 555 HB3 GLU 115 1HB GLU 115 -9.711 9.635 -5.961 556 HG2 GLU 115 2HG GLU 115 -10.511 8.616 -3.866 557 HG3 GLU 115 1HG GLU 115 -9.506 7.200 -4.183 558 H ASP 116 H ASP 116 -9.801 6.064 -7.968 559 HA ASP 116 HA ASP 116 -11.047 3.762 -6.703 560 HB2 ASP 116 2HB ASP 116 -8.951 3.921 -8.915 561 HB3 ASP 116 1HB ASP 116 -9.818 2.462 -8.430 562 H THR 117 H THR 117 -8.000 5.474 -6.563 563 HA THR 117 HA THR 117 -6.593 3.207 -5.341 564 HB THR 117 HB THR 117 -5.345 4.478 -7.054 565 HG1 THR 117 HG1 THR 117 -4.453 4.035 -4.505 566 HG21 THR 117 3HG2 THR 117 -4.506 6.755 -6.615 567 HG22 THR 117 1HG2 THR 117 -5.470 6.833 -5.148 568 HG23 THR 117 2HG2 THR 117 -6.268 6.732 -6.717 569 H PHE 118 H PHE 118 -6.249 3.053 -3.217 570 HA PHE 118 HA PHE 118 -7.200 4.897 -1.268 571 HB2 PHE 118 2HB PHE 118 -7.151 2.424 -0.892 572 HB3 PHE 118 1HB PHE 118 -5.397 2.434 -1.009 573 HD1 PHE 118 HD1 PHE 118 -4.020 3.297 0.869 574 HD2 PHE 118 HD2 PHE 118 -8.286 3.246 1.099 575 HE1 PHE 118 HE1 PHE 118 -3.900 3.645 3.298 576 HE2 PHE 118 HE2 PHE 118 -8.144 3.597 3.512 577 HZ PHE 118 HZ PHE 118 -5.967 3.799 4.623 578 H LYS 119 H LYS 119 -6.092 6.608 -0.520 579 HA LYS 119 HA LYS 119 -3.280 7.043 -1.139 580 HB2 LYS 119 2HB LYS 119 -4.747 8.965 -1.316 581 HB3 LYS 119 1HB LYS 119 -5.376 8.714 0.306 582 HG2 LYS 119 2HG LYS 119 -3.809 10.620 0.176 583 HG3 LYS 119 1HG LYS 119 -3.268 9.369 1.299 584 HD2 LYS 119 2HD LYS 119 -1.725 8.513 -0.530 585 HD3 LYS 119 1HD LYS 119 -2.188 9.918 -1.503 586 HE2 LYS 119 2HE LYS 119 -0.045 10.271 -0.301 587 HE3 LYS 119 1HE LYS 119 -1.278 11.427 0.206 588 HZ1 LYS 119 3HZ LYS 119 -1.689 10.035 2.163 589 HZ2 LYS 119 1HZ LYS 119 -0.080 10.562 2.097 590 HZ3 LYS 119 2HZ LYS 119 -0.466 8.977 1.675 591 H ALA 120 H ALA 120 -1.935 5.794 0.057 592 HA ALA 120 HA ALA 120 -2.398 5.205 2.866 593 HB1 ALA 120 3HB ALA 120 -0.037 4.521 1.073 594 HB2 ALA 120 1HB ALA 120 -1.412 3.477 1.434 595 HB3 ALA 120 2HB ALA 120 -0.284 3.921 2.718 596 H ARG 121 H ARG 121 -2.057 6.829 4.248 597 HA ARG 121 HA ARG 121 -0.138 8.914 3.996 598 HB2 ARG 121 2HB ARG 121 -0.923 9.661 6.087 599 HB3 ARG 121 1HB ARG 121 -2.312 8.775 5.485 600 HG2 ARG 121 2HG ARG 121 -1.423 6.787 6.895 601 HG3 ARG 121 1HG ARG 121 -0.367 7.969 7.667 602 HD2 ARG 121 2HD ARG 121 -3.403 7.866 7.709 603 HD3 ARG 121 1HD ARG 121 -2.291 7.723 9.074 604 HE ARG 121 HE ARG 121 -2.016 10.240 7.760 605 HH11 ARG 121 1HH1 ARG 121 -3.946 8.560 10.155 606 HH12 ARG 121 2HH1 ARG 121 -4.657 10.013 10.773 607 HH21 ARG 121 1HH2 ARG 121 -2.979 12.124 8.540 608 HH22 ARG 121 2HH2 ARG 121 -4.120 12.040 9.840 609 H THR 122 H THR 122 -0.177 5.707 5.400 610 HA THR 122 HA THR 122 2.737 5.687 5.751 611 HB THR 122 HB THR 122 2.405 4.390 7.941 612 HG1 THR 122 HG1 THR 122 0.196 3.919 7.758 613 HG21 THR 122 3HG2 THR 122 3.154 6.754 8.009 614 HG22 THR 122 1HG2 THR 122 2.112 6.369 9.381 615 HG23 THR 122 2HG2 THR 122 1.472 7.285 8.017 616 H LEU 123 H LEU 123 3.622 3.614 5.516 617 HA LEU 123 HA LEU 123 1.842 1.396 4.689 618 HB2 LEU 123 2HB LEU 123 2.956 2.476 2.725 619 HB3 LEU 123 1HB LEU 123 4.518 2.176 3.462 620 HG LEU 123 HG LEU 123 4.039 -0.311 3.297 621 HD11 LEU 123 1HD1 LEU 123 2.281 -1.075 1.768 622 HD12 LEU 123 2HD1 LEU 123 1.683 0.582 1.617 623 HD13 LEU 123 3HD1 LEU 123 1.611 -0.249 3.175 624 HD21 LEU 123 3HD2 LEU 123 4.123 1.257 0.701 625 HD22 LEU 123 1HD2 LEU 123 4.534 -0.450 0.886 626 HD23 LEU 123 2HD2 LEU 123 5.503 0.775 1.693 627 H MET 124 H MET 124 2.066 -0.161 6.124 628 HA MET 124 HA MET 124 4.736 -0.913 7.172 629 HB2 MET 124 2HB MET 124 3.452 0.268 8.963 630 HB3 MET 124 1HB MET 124 2.108 -0.843 8.754 631 HG2 MET 124 2HG MET 124 3.571 -2.707 9.524 632 HG3 MET 124 1HG MET 124 4.877 -1.547 9.772 633 HE1 MET 124 3HE MET 124 0.936 -1.490 12.215 634 HE2 MET 124 1HE MET 124 1.261 -2.615 10.895 635 HE3 MET 124 2HE MET 124 1.019 -0.893 10.562 636 H THR 125 H THR 125 5.044 -3.168 7.314 637 HA THR 125 HA THR 125 3.137 -4.836 5.827 638 HB THR 125 HB THR 125 4.936 -6.567 5.869 639 HG1 THR 125 HG1 THR 125 6.983 -6.011 6.810 640 HG21 THR 125 3HG2 THR 125 4.957 -4.911 4.034 641 HG22 THR 125 1HG2 THR 125 6.600 -5.379 4.475 642 HG23 THR 125 2HG2 THR 125 5.953 -3.828 5.011 643 H LYS 126 H LYS 126 2.580 -6.980 6.639 644 HA LYS 126 HA LYS 126 2.027 -7.126 9.506 645 HB2 LYS 126 2HB LYS 126 1.168 -8.887 7.165 646 HB3 LYS 126 1HB LYS 126 0.648 -9.124 8.833 647 HG2 LYS 126 2HG LYS 126 -0.441 -6.902 8.797 648 HG3 LYS 126 1HG LYS 126 0.078 -6.681 7.127 649 HD2 LYS 126 2HD LYS 126 -2.249 -7.313 7.136 650 HD3 LYS 126 1HD LYS 126 -1.315 -8.647 6.472 651 HE2 LYS 126 2HE LYS 126 -2.231 -8.578 9.366 652 HE3 LYS 126 1HE LYS 126 -3.214 -9.253 8.071 653 HZ1 LYS 126 3HZ LYS 126 -1.407 -10.827 7.613 654 HZ2 LYS 126 1HZ LYS 126 -2.019 -10.984 9.176 655 HZ3 LYS 126 2HZ LYS 126 -0.538 -10.211 8.930 656 H CYS 127 H CYS 127 4.693 -7.640 7.868 657 HA CYS 127 HA CYS 127 5.471 -10.195 9.146 658 HB2 CYS 127 2HB CYS 127 5.637 -10.333 6.703 659 HB3 CYS 127 1HB CYS 127 6.550 -8.828 6.632 660 HG CYS 127 HG CYS 127 8.891 -9.787 7.245 661 HA PRO 128 HA PRO 128 8.344 -7.615 11.556 662 HB2 PRO 128 2HB PRO 128 10.101 -9.526 12.428 663 HB3 PRO 128 1HB PRO 128 8.455 -9.395 13.066 664 HG2 PRO 128 2HG PRO 128 9.511 -11.240 10.915 665 HG3 PRO 128 1HG PRO 128 8.484 -11.638 12.310 666 HD2 PRO 128 2HD PRO 128 7.438 -11.266 9.835 667 HD3 PRO 128 1HD PRO 128 6.552 -10.780 11.299 668 H LEU 129 H LEU 129 10.948 -7.559 11.788 669 HA LEU 129 HA LEU 129 12.029 -6.752 9.274 670 HB2 LEU 129 2HB LEU 129 13.408 -7.185 11.958 671 HB3 LEU 129 1HB LEU 129 14.148 -6.396 10.571 672 HG LEU 129 HG LEU 129 11.748 -5.352 12.139 673 HD11 LEU 129 1HD1 LEU 129 14.608 -4.331 12.060 674 HD12 LEU 129 2HD1 LEU 129 13.822 -5.153 13.413 675 HD13 LEU 129 3HD1 LEU 129 13.253 -3.567 12.900 676 HD21 LEU 129 3HD2 LEU 129 13.187 -4.095 9.775 677 HD22 LEU 129 1HD2 LEU 129 11.951 -3.307 10.761 678 HD23 LEU 129 2HD2 LEU 129 11.535 -4.717 9.794 679 H GLU 130 H GLU 130 12.925 -7.964 7.780 680 HA GLU 130 HA GLU 130 13.300 -10.708 7.732 681 HB2 GLU 130 2HB GLU 130 14.747 -8.625 6.043 682 HB3 GLU 130 1HB GLU 130 14.528 -10.319 5.620 683 HG2 GLU 130 2HG GLU 130 12.310 -8.264 5.909 684 HG3 GLU 130 1HG GLU 130 13.005 -8.806 4.384 Start of MODEL 5 1 H1 MET 43 1H MET 43 -20.286 22.811 2.249 2 H2 MET 43 2H MET 43 -20.671 21.541 1.211 3 H3 MET 43 3H MET 43 -19.072 21.767 1.703 4 HA MET 43 HA MET 43 -19.677 21.307 3.987 5 HB2 MET 43 2HB MET 43 -22.402 20.724 2.764 6 HB3 MET 43 1HB MET 43 -21.961 20.341 4.421 7 HG2 MET 43 2HG MET 43 -21.715 22.712 4.931 8 HG3 MET 43 1HG MET 43 -22.053 23.133 3.250 9 HE1 MET 43 3HE MET 43 -24.447 21.007 2.542 10 HE2 MET 43 1HE MET 43 -24.406 22.704 2.052 11 HE3 MET 43 2HE MET 43 -25.825 22.056 2.870 12 H ALA 44 H ALA 44 -20.507 19.682 0.952 13 HA ALA 44 HA ALA 44 -20.123 16.989 2.038 14 HB1 ALA 44 3HB ALA 44 -20.822 17.886 -0.788 15 HB2 ALA 44 1HB ALA 44 -21.980 17.453 0.471 16 HB3 ALA 44 2HB ALA 44 -20.881 16.230 -0.172 17 H THR 45 H THR 45 -17.831 19.059 1.567 18 HA THR 45 HA THR 45 -16.095 18.051 -0.421 19 HB THR 45 HB THR 45 -15.411 19.610 2.120 20 HG1 THR 45 HG1 THR 45 -15.910 20.498 -0.555 21 HG21 THR 45 3HG2 THR 45 -13.385 20.345 0.891 22 HG22 THR 45 1HG2 THR 45 -13.800 19.263 -0.449 23 HG23 THR 45 2HG2 THR 45 -13.377 18.600 1.131 24 HA PRO 46 HA PRO 46 -14.833 14.134 1.682 25 HB2 PRO 46 2HB PRO 46 -12.800 14.192 -0.547 26 HB3 PRO 46 1HB PRO 46 -13.880 12.881 -0.039 27 HG2 PRO 46 2HG PRO 46 -14.401 14.275 -2.255 28 HG3 PRO 46 1HG PRO 46 -15.719 13.785 -1.168 29 HD2 PRO 46 2HD PRO 46 -14.405 16.492 -1.451 30 HD3 PRO 46 1HD PRO 46 -16.125 16.086 -1.256 31 H GLN 47 H GLN 47 -13.995 15.137 3.544 32 HA GLN 47 HA GLN 47 -11.327 16.343 3.568 33 HB2 GLN 47 2HB GLN 47 -11.824 16.777 5.982 34 HB3 GLN 47 1HB GLN 47 -13.032 17.449 4.895 35 HG2 GLN 47 2HG GLN 47 -14.554 15.587 5.408 36 HG3 GLN 47 1HG GLN 47 -13.335 14.878 6.467 37 HE21 GLN 47 1HE2 GLN 47 -15.532 17.566 6.050 38 HE22 GLN 47 2HE2 GLN 47 -15.603 18.012 7.714 39 H ASP 48 H ASP 48 -11.339 13.674 2.759 40 HA ASP 48 HA ASP 48 -10.683 11.859 4.875 41 HB2 ASP 48 2HB ASP 48 -10.414 11.649 1.850 42 HB3 ASP 48 1HB ASP 48 -10.069 10.321 2.960 43 H LYS 49 H LYS 49 -8.954 14.387 3.624 44 HA LYS 49 HA LYS 49 -6.273 13.493 3.708 45 HB2 LYS 49 2HB LYS 49 -7.373 16.210 4.548 46 HB3 LYS 49 1HB LYS 49 -5.706 15.861 4.107 47 HG2 LYS 49 2HG LYS 49 -8.104 15.746 2.250 48 HG3 LYS 49 1HG LYS 49 -6.897 17.038 2.321 49 HD2 LYS 49 2HD LYS 49 -5.143 15.265 1.733 50 HD3 LYS 49 1HD LYS 49 -6.487 14.159 1.421 51 HE2 LYS 49 2HE LYS 49 -5.698 15.177 -0.663 52 HE3 LYS 49 1HE LYS 49 -7.341 15.712 -0.312 53 HZ1 LYS 49 3HZ LYS 49 -4.865 17.262 0.241 54 HZ2 LYS 49 1HZ LYS 49 -6.439 17.779 0.566 55 HZ3 LYS 49 2HZ LYS 49 -5.938 17.550 -1.032 56 H LEU 50 H LEU 50 -8.549 14.576 6.175 57 HA LEU 50 HA LEU 50 -6.693 14.240 8.400 58 HB2 LEU 50 2HB LEU 50 -9.691 14.791 8.441 59 HB3 LEU 50 1HB LEU 50 -8.587 14.945 9.800 60 HG LEU 50 HG LEU 50 -8.604 16.693 7.307 61 HD11 LEU 50 1HD1 LEU 50 -9.357 18.497 8.777 62 HD12 LEU 50 2HD1 LEU 50 -9.424 17.380 10.145 63 HD13 LEU 50 3HD1 LEU 50 -10.504 17.159 8.763 64 HD21 LEU 50 3HD2 LEU 50 -6.316 16.443 8.120 65 HD22 LEU 50 1HD2 LEU 50 -6.814 16.898 9.753 66 HD23 LEU 50 2HD2 LEU 50 -6.900 18.072 8.437 67 H HIS 51 H HIS 51 -9.086 12.359 6.699 68 HA HIS 51 HA HIS 51 -9.646 10.514 8.895 69 HB2 HIS 51 2HB HIS 51 -10.587 10.459 5.991 70 HB3 HIS 51 1HB HIS 51 -11.128 9.352 7.247 71 HD1 HIS 51 HD1 HIS 51 -13.274 10.873 5.863 72 HD2 HIS 51 HD2 HIS 51 -11.286 12.395 9.192 73 HE1 HIS 51 HE1 HIS 51 -14.833 12.574 6.872 74 HE2 HIS 51 HE2 HIS 51 -13.571 13.529 8.840 75 H THR 52 H THR 52 -8.188 8.993 9.353 76 HA THR 52 HA THR 52 -6.663 7.612 7.240 77 HB THR 52 HB THR 52 -5.335 6.697 9.235 78 HG1 THR 52 HG1 THR 52 -6.160 7.085 11.124 79 HG21 THR 52 3HG2 THR 52 -5.325 9.718 8.920 80 HG22 THR 52 1HG2 THR 52 -4.476 8.576 7.872 81 HG23 THR 52 2HG2 THR 52 -4.010 8.733 9.568 82 H VAL 53 H VAL 53 -7.708 5.868 6.486 83 HA VAL 53 HA VAL 53 -9.476 4.221 8.165 84 HB VAL 53 HB VAL 53 -9.199 4.334 5.117 85 HG11 VAL 53 1HG1 VAL 53 -11.207 2.752 6.782 86 HG12 VAL 53 2HG1 VAL 53 -9.880 2.064 5.843 87 HG13 VAL 53 3HG1 VAL 53 -11.210 2.880 5.020 88 HG21 VAL 53 3HG2 VAL 53 -10.259 6.369 6.023 89 HG22 VAL 53 1HG2 VAL 53 -11.442 5.380 6.886 90 HG23 VAL 53 2HG2 VAL 53 -11.426 5.399 5.119 91 H ARG 54 H ARG 54 -8.937 2.119 8.559 92 HA ARG 54 HA ARG 54 -6.218 1.275 7.844 93 HB2 ARG 54 2HB ARG 54 -7.153 1.450 10.273 94 HB3 ARG 54 1HB ARG 54 -8.019 -0.043 9.912 95 HG2 ARG 54 2HG ARG 54 -5.910 -1.217 9.518 96 HG3 ARG 54 1HG ARG 54 -5.007 0.294 9.703 97 HD2 ARG 54 2HD ARG 54 -5.948 0.436 12.071 98 HD3 ARG 54 1HD ARG 54 -6.542 -1.212 11.842 99 HE ARG 54 HE ARG 54 -4.356 -2.015 11.885 100 HH11 ARG 54 1HH1 ARG 54 -4.300 1.493 11.998 101 HH12 ARG 54 2HH1 ARG 54 -2.698 1.559 12.654 102 HH21 ARG 54 1HH2 ARG 54 -2.269 -1.904 12.768 103 HH22 ARG 54 2HH2 ARG 54 -1.540 -0.360 13.072 104 H LEU 55 H LEU 55 -6.155 0.086 6.042 105 HA LEU 55 HA LEU 55 -8.266 -1.917 5.448 106 HB2 LEU 55 2HB LEU 55 -7.943 0.245 3.960 107 HB3 LEU 55 1HB LEU 55 -6.539 -0.583 3.326 108 HG LEU 55 HG LEU 55 -9.369 -1.728 3.173 109 HD11 LEU 55 1HD1 LEU 55 -7.879 -0.174 1.039 110 HD12 LEU 55 2HD1 LEU 55 -9.284 0.388 1.950 111 HD13 LEU 55 3HD1 LEU 55 -9.441 -0.979 0.852 112 HD21 LEU 55 3HD2 LEU 55 -8.477 -3.184 1.401 113 HD22 LEU 55 1HD2 LEU 55 -7.627 -3.448 2.920 114 HD23 LEU 55 2HD2 LEU 55 -6.862 -2.510 1.637 115 H PHE 56 H PHE 56 -7.517 -3.976 4.759 116 HA PHE 56 HA PHE 56 -4.677 -4.585 5.390 117 HB2 PHE 56 2HB PHE 56 -7.099 -6.348 6.013 118 HB3 PHE 56 1HB PHE 56 -5.435 -6.631 6.509 119 HD1 PHE 56 HD2 PHE 56 -8.442 -4.529 7.106 120 HD2 PHE 56 HD1 PHE 56 -4.539 -5.567 8.503 121 HE1 PHE 56 HE2 PHE 56 -8.884 -3.359 9.219 122 HE2 PHE 56 HE1 PHE 56 -4.995 -4.394 10.609 123 HZ PHE 56 HZ PHE 56 -7.160 -3.294 10.971 124 H GLY 57 H GLY 57 -3.672 -6.116 4.047 125 HA2 GLY 57 2HA GLY 57 -5.004 -7.996 2.398 126 HA3 GLY 57 1HA GLY 57 -4.600 -6.579 1.433 127 H THR 58 H THR 58 -3.320 -8.215 0.248 128 HA THR 58 HA THR 58 -0.561 -8.353 1.301 129 HB THR 58 HB THR 58 -1.841 -10.481 -0.493 130 HG1 THR 58 HG1 THR 58 -1.752 -10.236 2.330 131 HG21 THR 58 3HG2 THR 58 0.656 -10.399 -0.514 132 HG22 THR 58 1HG2 THR 58 0.057 -11.878 0.241 133 HG23 THR 58 2HG2 THR 58 0.662 -10.559 1.245 134 H VAL 59 H VAL 59 1.043 -7.868 -0.218 135 HA VAL 59 HA VAL 59 0.309 -6.024 -2.289 136 HB VAL 59 HB VAL 59 3.058 -7.053 -1.437 137 HG11 VAL 59 1HG1 VAL 59 3.181 -6.100 -3.703 138 HG12 VAL 59 2HG1 VAL 59 3.981 -5.031 -2.551 139 HG13 VAL 59 3HG1 VAL 59 2.371 -4.627 -3.154 140 HG21 VAL 59 3HG2 VAL 59 1.595 -4.513 -0.614 141 HG22 VAL 59 1HG2 VAL 59 3.241 -4.958 -0.146 142 HG23 VAL 59 2HG2 VAL 59 1.876 -5.928 0.404 143 H ALA 60 H ALA 60 0.186 -6.384 -4.442 144 HA ALA 60 HA ALA 60 0.983 -8.963 -5.583 145 HB1 ALA 60 3HB ALA 60 -1.253 -8.139 -6.106 146 HB2 ALA 60 1HB ALA 60 -0.274 -8.195 -7.571 147 HB3 ALA 60 2HB ALA 60 -0.582 -6.654 -6.770 148 H ALA 61 H ALA 61 2.286 -9.086 -7.454 149 HA ALA 61 HA ALA 61 4.445 -7.145 -7.682 150 HB1 ALA 61 3HB ALA 61 4.915 -9.566 -7.749 151 HB2 ALA 61 1HB ALA 61 5.433 -8.775 -9.241 152 HB3 ALA 61 2HB ALA 61 3.943 -9.725 -9.211 153 H ASP 62 H ASP 62 1.578 -8.147 -9.512 154 HA ASP 62 HA ASP 62 2.393 -6.854 -11.987 155 HB2 ASP 62 2HB ASP 62 -0.249 -8.210 -11.239 156 HB3 ASP 62 1HB ASP 62 0.185 -7.656 -12.852 157 H GLY 63 H GLY 63 2.611 -4.693 -11.085 158 HA2 GLY 63 2HA GLY 63 1.103 -2.688 -11.624 159 HA3 GLY 63 1HA GLY 63 0.106 -3.309 -10.317 160 H LEU 64 H LEU 64 3.264 -3.992 -9.534 161 HA LEU 64 HA LEU 64 3.384 -1.934 -7.504 162 HB2 LEU 64 2HB LEU 64 4.075 -4.417 -7.259 163 HB3 LEU 64 1HB LEU 64 5.544 -3.997 -8.109 164 HG LEU 64 HG LEU 64 4.715 -2.642 -5.502 165 HD11 LEU 64 1HD1 LEU 64 6.539 -5.051 -5.786 166 HD12 LEU 64 2HD1 LEU 64 4.926 -5.043 -5.066 167 HD13 LEU 64 3HD1 LEU 64 6.234 -4.142 -4.300 168 HD21 LEU 64 3HD2 LEU 64 7.098 -2.032 -5.305 169 HD22 LEU 64 1HD2 LEU 64 6.392 -1.383 -6.785 170 HD23 LEU 64 2HD2 LEU 64 7.433 -2.805 -6.858 171 H THR 65 H THR 65 3.649 -0.039 -8.527 172 HA THR 65 HA THR 65 5.991 0.494 -10.242 173 HB THR 65 HB THR 65 3.488 2.166 -9.703 174 HG1 THR 65 HG1 THR 65 4.224 0.293 -11.653 175 HG21 THR 65 3HG2 THR 65 4.243 3.575 -11.607 176 HG22 THR 65 1HG2 THR 65 5.749 2.651 -11.687 177 HG23 THR 65 2HG2 THR 65 5.390 3.640 -10.271 178 H MET 66 H MET 66 7.735 1.087 -9.050 179 HA MET 66 HA MET 66 7.562 2.515 -6.511 180 HB2 MET 66 2HB MET 66 9.912 1.550 -8.210 181 HB3 MET 66 1HB MET 66 10.138 2.519 -6.762 182 HG2 MET 66 2HG MET 66 8.739 -0.163 -6.766 183 HG3 MET 66 1HG MET 66 10.459 0.060 -6.431 184 HE1 MET 66 3HE MET 66 8.655 -1.431 -4.312 185 HE2 MET 66 1HE MET 66 9.145 -0.629 -2.824 186 HE3 MET 66 2HE MET 66 10.354 -1.044 -4.038 187 H LEU 67 H LEU 67 7.379 4.705 -6.450 188 HA LEU 67 HA LEU 67 7.049 6.226 -8.786 189 HB2 LEU 67 2HB LEU 67 7.498 7.223 -5.946 190 HB3 LEU 67 1HB LEU 67 6.852 8.179 -7.270 191 HG LEU 67 HG LEU 67 5.505 5.805 -5.917 192 HD11 LEU 67 1HD1 LEU 67 5.405 7.843 -4.595 193 HD12 LEU 67 2HD1 LEU 67 3.808 7.417 -5.202 194 HD13 LEU 67 3HD1 LEU 67 4.716 8.732 -5.957 195 HD21 LEU 67 3HD2 LEU 67 3.564 6.186 -7.393 196 HD22 LEU 67 1HD2 LEU 67 4.995 5.707 -8.303 197 HD23 LEU 67 2HD2 LEU 67 4.484 7.395 -8.296 198 H ASP 68 H ASP 68 8.424 7.356 -10.047 199 HA ASP 68 HA ASP 68 11.250 6.883 -9.812 200 HB2 ASP 68 2HB ASP 68 9.696 8.546 -11.852 201 HB3 ASP 68 1HB ASP 68 11.397 8.120 -11.988 202 H GLY 69 H GLY 69 12.218 8.028 -8.183 203 HA2 GLY 69 2HA GLY 69 13.402 9.860 -7.386 204 HA3 GLY 69 1HA GLY 69 12.541 10.905 -8.507 205 H ALA 70 H ALA 70 9.876 10.162 -7.711 206 HA ALA 70 HA ALA 70 9.458 11.789 -5.415 207 HB1 ALA 70 3HB ALA 70 7.515 9.959 -6.876 208 HB2 ALA 70 1HB ALA 70 7.809 11.664 -7.229 209 HB3 ALA 70 2HB ALA 70 7.078 11.198 -5.696 210 HA PRO 71 HA PRO 71 9.973 8.488 -2.313 211 HB2 PRO 71 2HB PRO 71 8.936 9.825 -0.135 212 HB3 PRO 71 1HB PRO 71 10.563 10.120 -0.765 213 HG2 PRO 71 2HG PRO 71 8.029 11.680 -1.270 214 HG3 PRO 71 1HG PRO 71 9.654 12.288 -0.889 215 HD2 PRO 71 2HD PRO 71 8.713 12.257 -3.430 216 HD3 PRO 71 1HD PRO 71 10.431 11.966 -3.074 217 H GLY 72 H GLY 72 8.619 6.815 -2.650 218 HA2 GLY 72 2HA GLY 72 6.475 6.121 -1.255 219 HA3 GLY 72 1HA GLY 72 5.708 7.106 -2.498 220 H VAL 73 H VAL 73 4.624 4.949 -2.770 221 HA VAL 73 HA VAL 73 5.693 3.627 -5.087 222 HB VAL 73 HB VAL 73 6.777 2.304 -3.283 223 HG11 VAL 73 1HG1 VAL 73 5.475 0.890 -1.719 224 HG12 VAL 73 2HG1 VAL 73 3.975 1.603 -2.315 225 HG13 VAL 73 3HG1 VAL 73 5.144 2.605 -1.452 226 HG21 VAL 73 3HG2 VAL 73 4.618 0.721 -4.733 227 HG22 VAL 73 1HG2 VAL 73 6.113 0.065 -4.065 228 HG23 VAL 73 2HG2 VAL 73 6.174 1.195 -5.416 229 H ARG 74 H ARG 74 4.052 3.237 -6.399 230 HA ARG 74 HA ARG 74 1.287 2.908 -5.503 231 HB2 ARG 74 2HB ARG 74 1.787 4.259 -7.544 232 HB3 ARG 74 1HB ARG 74 2.540 2.853 -8.289 233 HG2 ARG 74 2HG ARG 74 0.402 2.901 -9.278 234 HG3 ARG 74 1HG ARG 74 0.215 1.696 -8.002 235 HD2 ARG 74 2HD ARG 74 -1.740 3.147 -7.998 236 HD3 ARG 74 1HD ARG 74 -0.795 3.492 -6.543 237 HE ARG 74 HE ARG 74 0.201 5.353 -8.011 238 HH11 ARG 74 1HH1 ARG 74 -3.184 4.408 -8.042 239 HH12 ARG 74 2HH1 ARG 74 -3.719 5.924 -8.691 240 HH21 ARG 74 1HH2 ARG 74 -0.497 7.318 -8.869 241 HH22 ARG 74 2HH2 ARG 74 -2.189 7.584 -9.151 242 H PHE 75 H PHE 75 0.297 0.903 -5.494 243 HA PHE 75 HA PHE 75 1.224 -1.307 -7.086 244 HB2 PHE 75 2HB PHE 75 1.523 -2.930 -5.229 245 HB3 PHE 75 1HB PHE 75 2.709 -1.642 -5.145 246 HD1 PHE 75 HD2 PHE 75 2.360 0.237 -3.406 247 HD2 PHE 75 HD1 PHE 75 0.117 -3.417 -3.334 248 HE1 PHE 75 HE2 PHE 75 1.815 0.604 -1.033 249 HE2 PHE 75 HE1 PHE 75 -0.416 -3.036 -0.967 250 HZ PHE 75 HZ PHE 75 0.434 -1.034 0.190 251 H ARG 76 H ARG 76 -0.293 -3.273 -6.626 252 HA ARG 76 HA ARG 76 -2.977 -2.280 -5.852 253 HB2 ARG 76 2HB ARG 76 -3.823 -4.387 -7.064 254 HB3 ARG 76 1HB ARG 76 -3.286 -3.039 -8.042 255 HG2 ARG 76 2HG ARG 76 -1.480 -4.174 -8.910 256 HG3 ARG 76 1HG ARG 76 -1.283 -5.179 -7.477 257 HD2 ARG 76 2HD ARG 76 -2.055 -6.446 -9.488 258 HD3 ARG 76 1HD ARG 76 -3.142 -6.576 -8.116 259 HE ARG 76 HE ARG 76 -4.605 -4.962 -9.223 260 HH11 ARG 76 1HH1 ARG 76 -2.202 -6.452 -11.314 261 HH12 ARG 76 2HH1 ARG 76 -3.239 -6.454 -12.701 262 HH21 ARG 76 1HH2 ARG 76 -5.951 -4.967 -11.061 263 HH22 ARG 76 2HH2 ARG 76 -5.368 -5.633 -12.553 264 H LEU 77 H LEU 77 -3.500 -2.839 -3.931 265 HA LEU 77 HA LEU 77 -2.339 -5.027 -2.451 266 HB2 LEU 77 2HB LEU 77 -3.002 -2.776 -1.460 267 HB3 LEU 77 1HB LEU 77 -4.682 -3.226 -1.698 268 HG LEU 77 HG LEU 77 -4.329 -5.191 -0.171 269 HD11 LEU 77 1HD1 LEU 77 -2.281 -5.256 1.201 270 HD12 LEU 77 2HD1 LEU 77 -1.594 -3.956 0.224 271 HD13 LEU 77 3HD1 LEU 77 -1.961 -5.520 -0.509 272 HD21 LEU 77 3HD2 LEU 77 -5.272 -3.104 0.734 273 HD22 LEU 77 1HD2 LEU 77 -3.648 -2.503 1.079 274 HD23 LEU 77 2HD2 LEU 77 -4.272 -3.921 1.931 275 H GLU 78 H GLU 78 -2.991 -7.005 -3.072 276 HA GLU 78 HA GLU 78 -5.628 -7.698 -3.930 277 HB2 GLU 78 2HB GLU 78 -3.377 -9.473 -2.865 278 HB3 GLU 78 1HB GLU 78 -4.836 -10.051 -3.675 279 HG2 GLU 78 2HG GLU 78 -4.156 -8.817 -5.717 280 HG3 GLU 78 1HG GLU 78 -2.677 -8.313 -4.903 281 H ASP 79 H ASP 79 -7.176 -7.187 -2.513 282 HA ASP 79 HA ASP 79 -7.064 -7.214 0.288 283 HB2 ASP 79 2HB ASP 79 -8.776 -5.922 -0.860 284 HB3 ASP 79 1HB ASP 79 -9.428 -7.365 -1.631 285 H LYS 80 H LYS 80 -7.862 -8.698 1.818 286 HA LYS 80 HA LYS 80 -7.039 -11.367 1.258 287 HB2 LYS 80 2HB LYS 80 -8.360 -10.239 3.759 288 HB3 LYS 80 1HB LYS 80 -7.601 -11.824 3.646 289 HG2 LYS 80 2HG LYS 80 -6.224 -9.133 3.405 290 HG3 LYS 80 1HG LYS 80 -6.116 -10.258 4.762 291 HD2 LYS 80 2HD LYS 80 -5.068 -10.715 1.941 292 HD3 LYS 80 1HD LYS 80 -4.099 -10.353 3.367 293 HE2 LYS 80 2HE LYS 80 -5.759 -12.871 2.966 294 HE3 LYS 80 1HE LYS 80 -4.011 -12.744 2.772 295 HZ1 LYS 80 3HZ LYS 80 -3.884 -12.071 5.118 296 HZ2 LYS 80 1HZ LYS 80 -4.482 -13.635 4.909 297 HZ3 LYS 80 2HZ LYS 80 -5.537 -12.377 5.286 298 H ASP 81 H ASP 81 -10.124 -9.872 1.076 299 HA ASP 81 HA ASP 81 -11.582 -12.435 1.088 300 HB2 ASP 81 2HB ASP 81 -12.624 -10.602 2.356 301 HB3 ASP 81 1HB ASP 81 -12.584 -9.554 0.943 302 H ASN 82 H ASN 82 -10.832 -9.650 -1.026 303 HA ASN 82 HA ASN 82 -11.762 -11.200 -3.388 304 HB2 ASN 82 2HB ASN 82 -13.462 -9.505 -2.780 305 HB3 ASN 82 1HB ASN 82 -12.250 -8.230 -2.863 306 HD21 ASN 82 1HD2 ASN 82 -13.257 -7.084 -4.531 307 HD22 ASN 82 2HD2 ASN 82 -13.451 -7.693 -6.136 308 H THR 83 H THR 83 -10.247 -11.399 -4.923 309 HA THR 83 HA THR 83 -8.181 -9.300 -5.267 310 HB THR 83 HB THR 83 -7.249 -11.514 -4.542 311 HG1 THR 83 HG1 THR 83 -5.569 -10.936 -5.682 312 HG21 THR 83 3HG2 THR 83 -8.191 -12.515 -7.255 313 HG22 THR 83 1HG2 THR 83 -8.848 -13.023 -5.693 314 HG23 THR 83 2HG2 THR 83 -7.176 -13.397 -6.114 315 H SER 84 H SER 84 -10.875 -10.898 -6.652 316 HA SER 84 HA SER 84 -10.443 -10.566 -9.428 317 HB2 SER 84 2HB SER 84 -13.089 -10.395 -7.906 318 HB3 SER 84 1HB SER 84 -12.912 -10.675 -9.643 319 HG SER 84 HG SER 84 -11.511 -12.409 -7.997 320 H LYS 85 H LYS 85 -11.174 -8.339 -6.910 321 HA LYS 85 HA LYS 85 -10.419 -6.163 -8.712 322 HB2 LYS 85 2HB LYS 85 -12.916 -5.909 -8.404 323 HB3 LYS 85 1HB LYS 85 -12.651 -5.753 -6.666 324 HG2 LYS 85 2HG LYS 85 -11.060 -3.798 -7.251 325 HG3 LYS 85 1HG LYS 85 -11.745 -3.878 -8.875 326 HD2 LYS 85 2HD LYS 85 -13.997 -3.428 -7.912 327 HD3 LYS 85 1HD LYS 85 -13.264 -3.317 -6.303 328 HE2 LYS 85 2HE LYS 85 -12.757 -1.486 -8.677 329 HE3 LYS 85 1HE LYS 85 -13.560 -1.068 -7.165 330 HZ1 LYS 85 3HZ LYS 85 -11.455 -1.416 -6.005 331 HZ2 LYS 85 1HZ LYS 85 -11.294 -0.250 -7.217 332 HZ3 LYS 85 2HZ LYS 85 -10.693 -1.805 -7.460 333 H THR 86 H THR 86 -8.507 -5.699 -7.914 334 HA THR 86 HA THR 86 -7.855 -5.832 -5.081 335 HB THR 86 HB THR 86 -5.578 -5.071 -5.846 336 HG1 THR 86 HG1 THR 86 -6.986 -4.325 -8.048 337 HG21 THR 86 3HG2 THR 86 -4.994 -7.054 -7.202 338 HG22 THR 86 1HG2 THR 86 -6.707 -7.341 -7.542 339 HG23 THR 86 2HG2 THR 86 -6.092 -7.501 -5.895 340 H VAL 87 H VAL 87 -7.068 -3.979 -3.913 341 HA VAL 87 HA VAL 87 -8.255 -1.385 -4.684 342 HB VAL 87 HB VAL 87 -7.056 -2.287 -2.013 343 HG11 VAL 87 1HG1 VAL 87 -6.739 0.141 -2.320 344 HG12 VAL 87 2HG1 VAL 87 -7.966 -0.148 -1.086 345 HG13 VAL 87 3HG1 VAL 87 -8.450 0.340 -2.712 346 HG21 VAL 87 3HG2 VAL 87 -9.192 -3.426 -2.462 347 HG22 VAL 87 1HG2 VAL 87 -9.977 -1.873 -2.779 348 HG23 VAL 87 2HG2 VAL 87 -9.388 -2.252 -1.158 349 H TRP 88 H TRP 88 -6.867 0.004 -5.682 350 HA TRP 88 HA TRP 88 -4.017 -0.567 -5.757 351 HB2 TRP 88 2HB TRP 88 -5.771 1.513 -7.148 352 HB3 TRP 88 1HB TRP 88 -4.010 1.507 -7.288 353 HD1 TRP 88 HD1 TRP 88 -7.066 -0.692 -8.216 354 HE1 TRP 88 HE1 TRP 88 -6.361 -2.289 -10.107 355 HE3 TRP 88 HE3 TRP 88 -2.086 0.441 -8.421 356 HZ2 TRP 88 HZ2 TRP 88 -4.000 -3.014 -11.475 357 HZ3 TRP 88 HZ3 TRP 88 -0.672 -0.740 -10.056 358 HH2 TRP 88 HH2 TRP 88 -1.612 -2.425 -11.557 359 H VAL 89 H VAL 89 -2.520 0.488 -4.595 360 HA VAL 89 HA VAL 89 -3.404 2.521 -2.658 361 HB VAL 89 HB VAL 89 -1.140 0.506 -2.368 362 HG11 VAL 89 1HG1 VAL 89 -0.771 2.550 -1.043 363 HG12 VAL 89 2HG1 VAL 89 -1.139 1.192 0.021 364 HG13 VAL 89 3HG1 VAL 89 -2.381 2.399 -0.323 365 HG21 VAL 89 3HG2 VAL 89 -2.595 -0.711 -0.788 366 HG22 VAL 89 1HG2 VAL 89 -3.298 -0.672 -2.406 367 HG23 VAL 89 2HG2 VAL 89 -3.925 0.395 -1.146 368 H LEU 90 H LEU 90 -2.651 4.441 -3.202 369 HA LEU 90 HA LEU 90 0.044 4.765 -4.351 370 HB2 LEU 90 2HB LEU 90 -1.829 5.958 -5.468 371 HB3 LEU 90 1HB LEU 90 -2.217 6.767 -3.961 372 HG LEU 90 HG LEU 90 -0.111 8.026 -4.034 373 HD11 LEU 90 1HD1 LEU 90 1.422 7.918 -5.950 374 HD12 LEU 90 2HD1 LEU 90 0.509 6.554 -6.612 375 HD13 LEU 90 3HD1 LEU 90 1.358 6.391 -5.070 376 HD21 LEU 90 3HD2 LEU 90 -1.626 8.189 -6.661 377 HD22 LEU 90 1HD2 LEU 90 -0.585 9.447 -5.985 378 HD23 LEU 90 2HD2 LEU 90 -2.065 8.986 -5.147 379 H TYR 91 H TYR 91 1.214 4.290 -2.564 380 HA TYR 91 HA TYR 91 0.909 5.744 -0.035 381 HB2 TYR 91 2HB TYR 91 1.610 3.398 0.145 382 HB3 TYR 91 1HB TYR 91 2.971 3.672 -0.940 383 HD1 TYR 91 HD1 TYR 91 1.634 5.266 2.211 384 HD2 TYR 91 HD2 TYR 91 5.066 3.728 0.177 385 HE1 TYR 91 HE1 TYR 91 3.033 5.837 4.140 386 HE2 TYR 91 HE2 TYR 91 6.464 4.299 2.118 387 HH TYR 91 HH TYR 91 6.441 5.822 4.037 388 H LYS 92 H LYS 92 1.765 7.761 0.134 389 HA LYS 92 HA LYS 92 4.275 8.412 -1.298 390 HB2 LYS 92 2HB LYS 92 2.127 10.226 -0.103 391 HB3 LYS 92 1HB LYS 92 3.601 10.793 -0.891 392 HG2 LYS 92 2HG LYS 92 2.886 9.788 -3.013 393 HG3 LYS 92 1HG LYS 92 1.442 9.130 -2.231 394 HD2 LYS 92 2HD LYS 92 0.623 11.407 -1.779 395 HD3 LYS 92 1HD LYS 92 2.075 12.098 -2.518 396 HE2 LYS 92 2HE LYS 92 1.453 11.105 -4.679 397 HE3 LYS 92 1HE LYS 92 0.034 10.359 -3.939 398 HZ1 LYS 92 3HZ LYS 92 -0.865 12.525 -3.504 399 HZ2 LYS 92 1HZ LYS 92 -0.489 12.390 -5.144 400 HZ3 LYS 92 2HZ LYS 92 0.516 13.281 -4.120 401 H GLY 93 H GLY 93 6.060 8.483 -0.140 402 HA2 GLY 93 2HA GLY 93 6.989 9.654 1.994 403 HA3 GLY 93 1HA GLY 93 6.006 8.436 2.811 404 H ALA 94 H ALA 94 8.374 8.085 3.595 405 HA ALA 94 HA ALA 94 10.189 6.659 1.913 406 HB1 ALA 94 3HB ALA 94 10.944 7.881 3.911 407 HB2 ALA 94 1HB ALA 94 11.406 6.179 4.007 408 HB3 ALA 94 2HB ALA 94 10.039 6.780 4.951 409 H VAL 95 H VAL 95 9.817 4.695 1.121 410 HA VAL 95 HA VAL 95 7.891 2.833 2.216 411 HB VAL 95 HB VAL 95 9.791 2.472 -0.156 412 HG11 VAL 95 1HG1 VAL 95 8.179 0.746 -0.936 413 HG12 VAL 95 2HG1 VAL 95 7.236 0.962 0.538 414 HG13 VAL 95 3HG1 VAL 95 8.876 0.321 0.629 415 HG21 VAL 95 3HG2 VAL 95 7.915 3.178 -1.599 416 HG22 VAL 95 1HG2 VAL 95 8.382 4.466 -0.484 417 HG23 VAL 95 2HG2 VAL 95 6.933 3.509 -0.174 418 HA PRO 96 HA PRO 96 11.055 0.534 4.602 419 HB2 PRO 96 2HB PRO 96 9.560 -1.713 5.154 420 HB3 PRO 96 1HB PRO 96 9.355 -0.183 6.017 421 HG2 PRO 96 2HG PRO 96 7.758 -1.272 3.696 422 HG3 PRO 96 1HG PRO 96 7.166 -0.546 5.210 423 HD2 PRO 96 2HD PRO 96 7.295 0.884 2.926 424 HD3 PRO 96 1HD PRO 96 7.654 1.640 4.493 425 H ASP 97 H ASP 97 12.535 -1.142 4.163 426 HA ASP 97 HA ASP 97 12.716 -2.211 1.516 427 HB2 ASP 97 2HB ASP 97 14.712 -3.413 2.290 428 HB3 ASP 97 1HB ASP 97 14.741 -1.763 2.901 429 H THR 98 H THR 98 11.099 -3.234 4.353 430 HA THR 98 HA THR 98 11.004 -6.065 3.931 431 HB THR 98 HB THR 98 9.132 -5.927 5.665 432 HG1 THR 98 HG1 THR 98 8.594 -3.920 6.466 433 HG21 THR 98 3HG2 THR 98 10.582 -5.227 7.528 434 HG22 THR 98 1HG2 THR 98 11.694 -4.454 6.397 435 HG23 THR 98 2HG2 THR 98 11.498 -6.208 6.382 436 H PHE 99 H PHE 99 9.330 -3.351 2.634 437 HA PHE 99 HA PHE 99 6.950 -4.624 1.707 438 HB2 PHE 99 2HB PHE 99 7.032 -2.197 1.910 439 HB3 PHE 99 1HB PHE 99 8.393 -2.098 0.798 440 HD1 PHE 99 HD1 PHE 99 4.756 -2.928 1.013 441 HD2 PHE 99 HD2 PHE 99 8.036 -1.977 -1.565 442 HE1 PHE 99 HE1 PHE 99 3.219 -2.652 -0.874 443 HE2 PHE 99 HE2 PHE 99 6.481 -1.710 -3.434 444 HZ PHE 99 HZ PHE 99 4.073 -2.041 -3.095 445 H LYS 100 H LYS 100 7.129 -6.347 0.466 446 HA LYS 100 HA LYS 100 8.795 -6.366 -1.974 447 HB2 LYS 100 2HB LYS 100 8.392 -8.647 0.026 448 HB3 LYS 100 1HB LYS 100 9.193 -8.814 -1.535 449 HG2 LYS 100 2HG LYS 100 10.975 -7.291 -0.808 450 HG3 LYS 100 1HG LYS 100 10.169 -7.061 0.748 451 HD2 LYS 100 2HD LYS 100 11.203 -9.729 -0.296 452 HD3 LYS 100 1HD LYS 100 12.084 -8.682 0.817 453 HE2 LYS 100 2HE LYS 100 9.356 -9.894 1.413 454 HE3 LYS 100 1HE LYS 100 10.895 -10.574 1.949 455 HZ1 LYS 100 3HZ LYS 100 9.920 -9.255 3.694 456 HZ2 LYS 100 1HZ LYS 100 9.812 -7.909 2.680 457 HZ3 LYS 100 2HZ LYS 100 11.326 -8.492 3.147 458 HA PRO 101 HA PRO 101 4.978 -7.801 -4.024 459 HB2 PRO 101 2HB PRO 101 6.661 -9.708 -5.625 460 HB3 PRO 101 1HB PRO 101 5.593 -8.411 -6.178 461 HG2 PRO 101 2HG PRO 101 8.253 -8.139 -6.299 462 HG3 PRO 101 1HG PRO 101 7.215 -6.761 -5.875 463 HD2 PRO 101 2HD PRO 101 8.844 -8.540 -4.049 464 HD3 PRO 101 1HD PRO 101 8.666 -6.769 -4.034 465 H GLY 102 H GLY 102 3.816 -8.953 -2.517 466 HA2 GLY 102 2HA GLY 102 2.802 -11.153 -2.238 467 HA3 GLY 102 1HA GLY 102 4.414 -11.852 -2.179 468 H VAL 103 H VAL 103 4.733 -9.052 -0.422 469 HA VAL 103 HA VAL 103 4.430 -10.412 2.128 470 HB VAL 103 HB VAL 103 6.286 -8.730 1.710 471 HG11 VAL 103 1HG1 VAL 103 4.966 -6.982 0.533 472 HG12 VAL 103 2HG1 VAL 103 5.864 -6.322 1.900 473 HG13 VAL 103 3HG1 VAL 103 4.129 -6.616 2.045 474 HG21 VAL 103 3HG2 VAL 103 6.208 -7.727 3.986 475 HG22 VAL 103 1HG2 VAL 103 5.731 -9.427 4.007 476 HG23 VAL 103 2HG2 VAL 103 4.502 -8.165 4.112 477 H GLU 104 H GLU 104 2.725 -10.182 3.594 478 HA GLU 104 HA GLU 104 0.340 -8.763 2.881 479 HB2 GLU 104 2HB GLU 104 1.206 -9.876 5.583 480 HB3 GLU 104 1HB GLU 104 -0.407 -9.279 5.197 481 HG2 GLU 104 2HG GLU 104 -0.543 -11.089 3.423 482 HG3 GLU 104 1HG GLU 104 0.960 -11.746 4.078 483 H VAL 105 H VAL 105 -0.293 -6.723 3.489 484 HA VAL 105 HA VAL 105 1.336 -5.194 5.418 485 HB VAL 105 HB VAL 105 1.223 -3.118 4.090 486 HG11 VAL 105 1HG1 VAL 105 2.598 -5.349 2.553 487 HG12 VAL 105 2HG1 VAL 105 3.268 -4.425 3.899 488 HG13 VAL 105 3HG1 VAL 105 2.923 -3.619 2.372 489 HG21 VAL 105 3HG2 VAL 105 0.087 -4.780 1.810 490 HG22 VAL 105 1HG2 VAL 105 0.595 -3.087 1.708 491 HG23 VAL 105 2HG2 VAL 105 -0.772 -3.539 2.724 492 H ILE 106 H ILE 106 0.278 -3.581 6.516 493 HA ILE 106 HA ILE 106 -2.654 -3.365 6.329 494 HB ILE 106 HB ILE 106 -0.805 -2.785 8.703 495 HG12 ILE 106 2HG1 ILE 106 -2.758 -5.102 8.328 496 HG13 ILE 106 1HG1 ILE 106 -1.003 -5.220 8.281 497 HG21 ILE 106 1HG2 ILE 106 -2.855 -2.425 10.032 498 HG22 ILE 106 2HG2 ILE 106 -3.845 -2.664 8.591 499 HG23 ILE 106 3HG2 ILE 106 -2.749 -1.285 8.691 500 HD11 ILE 106 3HD1 ILE 106 -1.865 -6.025 10.382 501 HD12 ILE 106 1HD1 ILE 106 -2.680 -4.489 10.681 502 HD13 ILE 106 2HD1 ILE 106 -0.914 -4.564 10.651 503 H ILE 107 H ILE 107 -3.027 -1.570 5.122 504 HA ILE 107 HA ILE 107 -1.177 0.741 5.195 505 HB ILE 107 HB ILE 107 -2.343 1.531 3.162 506 HG12 ILE 107 2HG1 ILE 107 -4.090 -0.965 3.429 507 HG13 ILE 107 1HG1 ILE 107 -4.627 0.688 3.691 508 HG21 ILE 107 1HG2 ILE 107 -1.650 -0.236 1.585 509 HG22 ILE 107 2HG2 ILE 107 -1.549 -1.398 2.913 510 HG23 ILE 107 3HG2 ILE 107 -0.456 -0.013 2.863 511 HD11 ILE 107 3HD1 ILE 107 -4.193 1.155 1.299 512 HD12 ILE 107 1HD1 ILE 107 -5.399 -0.106 1.573 513 HD13 ILE 107 2HD1 ILE 107 -3.764 -0.543 1.088 514 H GLU 108 H GLU 108 -2.008 2.869 5.577 515 HA GLU 108 HA GLU 108 -4.776 3.230 6.365 516 HB2 GLU 108 2HB GLU 108 -3.513 2.446 8.453 517 HB3 GLU 108 1HB GLU 108 -2.572 3.936 8.364 518 HG2 GLU 108 2HG GLU 108 -4.596 5.268 8.650 519 HG3 GLU 108 1HG GLU 108 -5.589 3.813 8.625 520 H GLY 109 H GLY 109 -5.464 5.252 5.910 521 HA2 GLY 109 2HA GLY 109 -4.164 7.674 5.657 522 HA3 GLY 109 1HA GLY 109 -3.868 6.844 4.130 523 H GLY 110 H GLY 110 -5.201 8.177 2.823 524 HA2 GLY 110 2HA GLY 110 -8.074 8.280 3.573 525 HA3 GLY 110 1HA GLY 110 -7.220 9.649 2.885 526 H LEU 111 H LEU 111 -9.483 7.594 2.184 527 HA LEU 111 HA LEU 111 -8.860 7.377 -0.700 528 HB2 LEU 111 2HB LEU 111 -9.452 5.224 0.304 529 HB3 LEU 111 1HB LEU 111 -10.889 5.906 1.036 530 HG LEU 111 HG LEU 111 -11.795 6.286 -1.321 531 HD11 LEU 111 1HD1 LEU 111 -9.473 4.527 -2.158 532 HD12 LEU 111 2HD1 LEU 111 -9.693 6.230 -2.559 533 HD13 LEU 111 3HD1 LEU 111 -10.822 5.031 -3.181 534 HD21 LEU 111 3HD2 LEU 111 -12.518 3.959 -1.640 535 HD22 LEU 111 1HD2 LEU 111 -12.591 4.426 0.058 536 HD23 LEU 111 2HD2 LEU 111 -11.274 3.404 -0.518 537 H ALA 112 H ALA 112 -9.820 8.848 -1.920 538 HA ALA 112 HA ALA 112 -12.071 10.481 -1.017 539 HB1 ALA 112 3HB ALA 112 -10.267 11.540 -2.320 540 HB2 ALA 112 1HB ALA 112 -11.809 11.654 -3.174 541 HB3 ALA 112 2HB ALA 112 -10.600 10.471 -3.681 542 HA PRO 113 HA PRO 113 -15.149 7.574 -2.483 543 HB2 PRO 113 2HB PRO 113 -17.258 9.312 -3.104 544 HB3 PRO 113 1HB PRO 113 -16.847 8.787 -1.467 545 HG2 PRO 113 2HG PRO 113 -16.060 11.317 -2.900 546 HG3 PRO 113 1HG PRO 113 -16.639 11.119 -1.232 547 HD2 PRO 113 2HD PRO 113 -14.030 11.452 -1.729 548 HD3 PRO 113 1HD PRO 113 -14.556 10.308 -0.472 549 H GLY 114 H GLY 114 -14.502 10.367 -4.565 550 HA2 GLY 114 2HA GLY 114 -15.498 9.146 -7.008 551 HA3 GLY 114 1HA GLY 114 -14.647 10.675 -6.853 552 H GLU 115 H GLU 115 -12.613 8.871 -5.249 553 HA GLU 115 HA GLU 115 -10.951 8.164 -7.583 554 HB2 GLU 115 2HB GLU 115 -10.019 9.850 -5.984 555 HB3 GLU 115 1HB GLU 115 -10.161 8.686 -4.677 556 HG2 GLU 115 2HG GLU 115 -7.843 8.918 -5.523 557 HG3 GLU 115 1HG GLU 115 -8.473 7.276 -5.636 558 H ASP 116 H ASP 116 -10.105 6.136 -7.779 559 HA ASP 116 HA ASP 116 -11.351 3.982 -6.257 560 HB2 ASP 116 2HB ASP 116 -11.216 3.913 -8.789 561 HB3 ASP 116 1HB ASP 116 -9.468 3.755 -8.646 562 H THR 117 H THR 117 -8.193 5.512 -6.630 563 HA THR 117 HA THR 117 -6.790 3.284 -5.355 564 HB THR 117 HB THR 117 -5.680 4.556 -7.245 565 HG1 THR 117 HG1 THR 117 -4.563 3.927 -4.807 566 HG21 THR 117 3HG2 THR 117 -4.565 6.696 -6.824 567 HG22 THR 117 1HG2 THR 117 -5.260 6.765 -5.202 568 HG23 THR 117 2HG2 THR 117 -6.307 6.873 -6.612 569 H PHE 118 H PHE 118 -6.395 3.162 -3.228 570 HA PHE 118 HA PHE 118 -7.196 5.198 -1.349 571 HB2 PHE 118 2HB PHE 118 -7.497 2.738 -0.909 572 HB3 PHE 118 1HB PHE 118 -5.749 2.530 -0.928 573 HD1 PHE 118 HD2 PHE 118 -8.618 3.814 0.997 574 HD2 PHE 118 HD1 PHE 118 -4.376 3.297 0.976 575 HE1 PHE 118 HE2 PHE 118 -8.552 4.244 3.401 576 HE2 PHE 118 HE1 PHE 118 -4.322 3.738 3.388 577 HZ PHE 118 HZ PHE 118 -6.409 4.209 4.598 578 H LYS 119 H LYS 119 -5.866 6.772 -0.693 579 HA LYS 119 HA LYS 119 -3.038 6.803 -1.508 580 HB2 LYS 119 2HB LYS 119 -4.422 8.800 -2.027 581 HB3 LYS 119 1HB LYS 119 -4.832 8.972 -0.327 582 HG2 LYS 119 2HG LYS 119 -2.306 9.295 0.076 583 HG3 LYS 119 1HG LYS 119 -2.168 9.465 -1.675 584 HD2 LYS 119 2HD LYS 119 -2.308 11.674 -0.776 585 HD3 LYS 119 1HD LYS 119 -3.863 11.350 -1.535 586 HE2 LYS 119 2HE LYS 119 -3.312 11.139 1.452 587 HE3 LYS 119 1HE LYS 119 -4.048 12.529 0.664 588 HZ1 LYS 119 3HZ LYS 119 -5.883 11.057 -0.030 589 HZ2 LYS 119 1HZ LYS 119 -5.732 11.173 1.651 590 HZ3 LYS 119 2HZ LYS 119 -5.185 9.794 0.849 591 H ALA 120 H ALA 120 -1.951 5.527 -0.030 592 HA ALA 120 HA ALA 120 -2.633 5.408 2.763 593 HB1 ALA 120 3HB ALA 120 -1.756 3.432 1.584 594 HB2 ALA 120 1HB ALA 120 -0.732 3.857 2.959 595 HB3 ALA 120 2HB ALA 120 -0.220 4.256 1.314 596 H ARG 121 H ARG 121 -1.979 6.743 4.267 597 HA ARG 121 HA ARG 121 0.114 8.717 3.992 598 HB2 ARG 121 2HB ARG 121 -1.946 9.207 5.268 599 HB3 ARG 121 1HB ARG 121 -1.622 7.852 6.349 600 HG2 ARG 121 2HG ARG 121 0.479 9.045 7.095 601 HG3 ARG 121 1HG ARG 121 -0.028 10.428 6.121 602 HD2 ARG 121 2HD ARG 121 -2.114 10.580 7.476 603 HD3 ARG 121 1HD ARG 121 -1.538 9.240 8.473 604 HE ARG 121 HE ARG 121 0.341 10.669 9.146 605 HH11 ARG 121 1HH1 ARG 121 -2.427 12.311 7.740 606 HH12 ARG 121 2HH1 ARG 121 -2.105 13.799 8.563 607 HH21 ARG 121 1HH2 ARG 121 0.760 12.626 10.177 608 HH22 ARG 121 2HH2 ARG 121 -0.299 13.976 9.938 609 H THR 122 H THR 122 -0.390 5.597 5.506 610 HA THR 122 HA THR 122 2.413 5.398 6.354 611 HB THR 122 HB THR 122 1.572 4.167 8.457 612 HG1 THR 122 HG1 THR 122 -0.802 4.719 7.319 613 HG21 THR 122 3HG2 THR 122 0.908 7.127 8.276 614 HG22 THR 122 1HG2 THR 122 2.496 6.443 8.636 615 HG23 THR 122 2HG2 THR 122 1.160 6.215 9.768 616 H LEU 123 H LEU 123 3.279 3.487 5.844 617 HA LEU 123 HA LEU 123 1.555 1.271 4.885 618 HB2 LEU 123 2HB LEU 123 2.868 2.321 3.059 619 HB3 LEU 123 1HB LEU 123 4.344 2.084 3.976 620 HG LEU 123 HG LEU 123 3.945 -0.424 3.818 621 HD11 LEU 123 1HD1 LEU 123 1.553 -0.428 3.364 622 HD12 LEU 123 2HD1 LEU 123 2.434 -1.284 2.102 623 HD13 LEU 123 3HD1 LEU 123 1.827 0.346 1.800 624 HD21 LEU 123 3HD2 LEU 123 4.818 -0.620 1.556 625 HD22 LEU 123 1HD2 LEU 123 5.575 0.722 2.405 626 HD23 LEU 123 2HD2 LEU 123 4.331 1.036 1.191 627 H MET 124 H MET 124 1.526 -0.131 6.509 628 HA MET 124 HA MET 124 3.990 -0.851 7.984 629 HB2 MET 124 2HB MET 124 2.061 -0.343 9.442 630 HB3 MET 124 1HB MET 124 1.018 -1.417 8.525 631 HG2 MET 124 2HG MET 124 2.524 -3.330 9.284 632 HG3 MET 124 1HG MET 124 3.275 -2.186 10.395 633 HE1 MET 124 3HE MET 124 0.086 -1.195 12.585 634 HE2 MET 124 1HE MET 124 0.547 -0.421 11.069 635 HE3 MET 124 2HE MET 124 1.780 -0.832 12.263 636 H THR 125 H THR 125 5.023 -2.637 7.158 637 HA THR 125 HA THR 125 3.573 -4.649 5.647 638 HB THR 125 HB THR 125 5.721 -5.898 5.596 639 HG1 THR 125 HG1 THR 125 6.784 -5.458 7.444 640 HG21 THR 125 3HG2 THR 125 7.060 -4.267 4.302 641 HG22 THR 125 1HG2 THR 125 6.058 -2.956 4.922 642 HG23 THR 125 2HG2 THR 125 5.353 -4.181 3.861 643 H LYS 126 H LYS 126 2.584 -6.357 6.526 644 HA LYS 126 HA LYS 126 2.135 -6.479 9.349 645 HB2 LYS 126 2HB LYS 126 0.334 -6.830 7.699 646 HB3 LYS 126 1HB LYS 126 1.189 -8.179 6.981 647 HG2 LYS 126 2HG LYS 126 0.332 -8.355 9.869 648 HG3 LYS 126 1HG LYS 126 -0.867 -8.555 8.592 649 HD2 LYS 126 2HD LYS 126 0.528 -10.407 7.623 650 HD3 LYS 126 1HD LYS 126 1.639 -10.250 8.988 651 HE2 LYS 126 2HE LYS 126 -0.181 -10.853 10.536 652 HE3 LYS 126 1HE LYS 126 -1.305 -10.965 9.181 653 HZ1 LYS 126 3HZ LYS 126 -0.468 -13.116 9.905 654 HZ2 LYS 126 1HZ LYS 126 1.111 -12.641 9.527 655 HZ3 LYS 126 2HZ LYS 126 -0.045 -12.781 8.299 656 H CYS 127 H CYS 127 3.759 -8.473 6.894 657 HA CYS 127 HA CYS 127 5.005 -10.231 8.835 658 HB2 CYS 127 2HB CYS 127 5.677 -9.878 5.890 659 HB3 CYS 127 1HB CYS 127 6.046 -11.266 6.913 660 HG CYS 127 HG CYS 127 3.805 -12.528 6.617 661 HA PRO 128 HA PRO 128 8.029 -6.919 9.505 662 HB2 PRO 128 2HB PRO 128 9.074 -7.746 11.830 663 HB3 PRO 128 1HB PRO 128 7.366 -7.290 11.719 664 HG2 PRO 128 2HG PRO 128 8.592 -10.051 11.721 665 HG3 PRO 128 1HG PRO 128 7.163 -9.462 12.599 666 HD2 PRO 128 2HD PRO 128 7.069 -10.843 10.175 667 HD3 PRO 128 1HD PRO 128 5.773 -9.791 10.786 668 H LEU 129 H LEU 129 10.348 -6.582 9.976 669 HA LEU 129 HA LEU 129 12.211 -8.098 8.386 670 HB2 LEU 129 2HB LEU 129 12.308 -5.591 8.885 671 HB3 LEU 129 1HB LEU 129 12.763 -5.991 10.526 672 HG LEU 129 HG LEU 129 14.821 -7.184 9.499 673 HD11 LEU 129 1HD1 LEU 129 15.546 -6.437 7.291 674 HD12 LEU 129 2HD1 LEU 129 14.031 -5.560 7.067 675 HD13 LEU 129 3HD1 LEU 129 14.025 -7.321 7.194 676 HD21 LEU 129 3HD2 LEU 129 16.130 -5.120 9.356 677 HD22 LEU 129 1HD2 LEU 129 15.003 -5.051 10.712 678 HD23 LEU 129 2HD2 LEU 129 14.651 -4.164 9.225 679 H GLU 130 H GLU 130 14.216 -9.139 9.345 680 HA GLU 130 HA GLU 130 13.606 -10.648 11.777 681 HB2 GLU 130 2HB GLU 130 15.619 -12.010 11.253 682 HB3 GLU 130 1HB GLU 130 14.456 -11.994 9.945 683 HG2 GLU 130 2HG GLU 130 16.990 -10.321 9.966 684 HG3 GLU 130 1HG GLU 130 16.891 -11.935 9.268 Start of MODEL 6 1 H1 MET 43 1H MET 43 -25.015 17.318 10.919 2 H2 MET 43 2H MET 43 -26.657 17.254 11.308 3 H3 MET 43 3H MET 43 -25.499 17.012 12.513 4 HA MET 43 HA MET 43 -25.911 19.524 11.003 5 HB2 MET 43 2HB MET 43 -27.766 19.038 12.556 6 HB3 MET 43 1HB MET 43 -26.632 18.794 13.873 7 HG2 MET 43 2HG MET 43 -25.987 21.177 13.744 8 HG3 MET 43 1HG MET 43 -27.154 21.406 12.440 9 HE1 MET 43 3HE MET 43 -28.781 23.313 15.439 10 HE2 MET 43 1HE MET 43 -28.228 23.425 13.769 11 HE3 MET 43 2HE MET 43 -27.064 23.190 15.070 12 H ALA 44 H ALA 44 -24.632 18.449 14.171 13 HA ALA 44 HA ALA 44 -22.123 19.955 13.672 14 HB1 ALA 44 3HB ALA 44 -23.493 19.391 16.331 15 HB2 ALA 44 1HB ALA 44 -23.465 20.945 15.487 16 HB3 ALA 44 2HB ALA 44 -21.966 20.253 16.111 17 H THR 45 H THR 45 -20.849 18.354 12.880 18 HA THR 45 HA THR 45 -20.707 15.691 13.928 19 HB THR 45 HB THR 45 -18.621 15.553 12.463 20 HG1 THR 45 HG1 THR 45 -18.635 18.137 12.675 21 HG21 THR 45 3HG2 THR 45 -19.800 15.765 10.300 22 HG22 THR 45 1HG2 THR 45 -21.103 16.650 11.094 23 HG23 THR 45 2HG2 THR 45 -20.814 14.957 11.497 24 HA PRO 46 HA PRO 46 -17.982 16.770 17.465 25 HB2 PRO 46 2HB PRO 46 -17.551 13.788 17.454 26 HB3 PRO 46 1HB PRO 46 -18.007 14.854 18.794 27 HG2 PRO 46 2HG PRO 46 -19.833 13.262 17.672 28 HG3 PRO 46 1HG PRO 46 -20.263 14.915 18.154 29 HD2 PRO 46 2HD PRO 46 -19.633 13.853 15.397 30 HD3 PRO 46 1HD PRO 46 -20.917 14.977 15.904 31 H GLN 47 H GLN 47 -15.814 17.194 17.489 32 HA GLN 47 HA GLN 47 -14.478 17.152 15.000 33 HB2 GLN 47 2HB GLN 47 -13.433 17.969 17.747 34 HB3 GLN 47 1HB GLN 47 -12.531 18.186 16.261 35 HG2 GLN 47 2HG GLN 47 -13.501 20.289 16.820 36 HG3 GLN 47 1HG GLN 47 -14.376 19.676 15.418 37 HE21 GLN 47 1HE2 GLN 47 -16.579 19.091 15.657 38 HE22 GLN 47 2HE2 GLN 47 -17.495 19.520 17.055 39 H ASP 48 H ASP 48 -14.230 14.998 14.396 40 HA ASP 48 HA ASP 48 -12.337 13.312 15.849 41 HB2 ASP 48 2HB ASP 48 -12.797 11.630 14.036 42 HB3 ASP 48 1HB ASP 48 -14.218 12.118 14.937 43 H LYS 49 H LYS 49 -10.283 13.759 15.613 44 HA LYS 49 HA LYS 49 -9.107 14.907 13.211 45 HB2 LYS 49 2HB LYS 49 -8.314 15.688 15.379 46 HB3 LYS 49 1HB LYS 49 -7.976 14.048 15.908 47 HG2 LYS 49 2HG LYS 49 -5.923 15.252 15.387 48 HG3 LYS 49 1HG LYS 49 -6.142 13.878 14.300 49 HD2 LYS 49 2HD LYS 49 -7.056 15.500 12.575 50 HD3 LYS 49 1HD LYS 49 -6.601 16.818 13.664 51 HE2 LYS 49 2HE LYS 49 -4.881 16.439 11.941 52 HE3 LYS 49 1HE LYS 49 -4.244 16.113 13.556 53 HZ1 LYS 49 3HZ LYS 49 -4.542 13.747 13.158 54 HZ2 LYS 49 1HZ LYS 49 -3.570 14.429 11.958 55 HZ3 LYS 49 2HZ LYS 49 -5.185 14.043 11.620 56 H LEU 50 H LEU 50 -9.449 11.861 14.827 57 HA LEU 50 HA LEU 50 -7.314 10.460 13.512 58 HB2 LEU 50 2HB LEU 50 -8.334 8.459 14.761 59 HB3 LEU 50 1HB LEU 50 -7.713 9.783 15.720 60 HG LEU 50 HG LEU 50 -10.070 10.597 16.089 61 HD11 LEU 50 1HD1 LEU 50 -11.971 9.113 15.648 62 HD12 LEU 50 2HD1 LEU 50 -10.920 8.016 14.749 63 HD13 LEU 50 3HD1 LEU 50 -11.209 9.653 14.155 64 HD21 LEU 50 3HD2 LEU 50 -9.531 7.754 16.993 65 HD22 LEU 50 1HD2 LEU 50 -10.683 8.874 17.726 66 HD23 LEU 50 2HD2 LEU 50 -8.959 9.228 17.779 67 H HIS 51 H HIS 51 -9.724 11.526 11.821 68 HA HIS 51 HA HIS 51 -11.092 9.232 10.833 69 HB2 HIS 51 2HB HIS 51 -11.787 10.771 8.908 70 HB3 HIS 51 1HB HIS 51 -12.270 11.241 10.525 71 HD1 HIS 51 HD1 HIS 51 -12.063 13.657 10.898 72 HD2 HIS 51 HD2 HIS 51 -9.219 12.339 8.169 73 HE1 HIS 51 HE1 HIS 51 -10.842 15.716 10.140 74 HE2 HIS 51 HE2 HIS 51 -9.191 14.906 8.430 75 H THR 52 H THR 52 -9.381 7.813 10.528 76 HA THR 52 HA THR 52 -8.053 8.004 7.892 77 HB THR 52 HB THR 52 -6.285 6.458 8.934 78 HG1 THR 52 HG1 THR 52 -6.108 6.464 11.185 79 HG21 THR 52 3HG2 THR 52 -6.357 9.285 10.064 80 HG22 THR 52 1HG2 THR 52 -5.777 8.838 8.455 81 HG23 THR 52 2HG2 THR 52 -4.931 8.256 9.888 82 H VAL 53 H VAL 53 -7.953 6.031 6.765 83 HA VAL 53 HA VAL 53 -9.907 3.970 7.609 84 HB VAL 53 HB VAL 53 -8.993 4.654 4.775 85 HG11 VAL 53 1HG1 VAL 53 -9.739 2.317 4.976 86 HG12 VAL 53 2HG1 VAL 53 -10.910 3.255 4.046 87 HG13 VAL 53 3HG1 VAL 53 -11.252 2.843 5.729 88 HG21 VAL 53 3HG2 VAL 53 -11.212 5.705 4.462 89 HG22 VAL 53 1HG2 VAL 53 -10.264 6.538 5.699 90 HG23 VAL 53 2HG2 VAL 53 -11.570 5.447 6.170 91 H ARG 54 H ARG 54 -8.833 2.264 8.396 92 HA ARG 54 HA ARG 54 -6.132 1.631 7.432 93 HB2 ARG 54 2HB ARG 54 -6.557 1.932 9.894 94 HB3 ARG 54 1HB ARG 54 -7.619 0.526 9.856 95 HG2 ARG 54 2HG ARG 54 -5.738 -0.909 9.208 96 HG3 ARG 54 1HG ARG 54 -4.667 0.493 9.137 97 HD2 ARG 54 2HD ARG 54 -4.311 -0.721 11.216 98 HD3 ARG 54 1HD ARG 54 -5.008 0.864 11.563 99 HE ARG 54 HE ARG 54 -7.202 -0.677 11.485 100 HH11 ARG 54 1HH1 ARG 54 -4.157 -1.206 13.161 101 HH12 ARG 54 2HH1 ARG 54 -4.904 -2.057 14.474 102 HH21 ARG 54 1HH2 ARG 54 -8.146 -1.793 13.179 103 HH22 ARG 54 2HH2 ARG 54 -7.171 -2.397 14.481 104 H LEU 55 H LEU 55 -6.068 0.235 5.792 105 HA LEU 55 HA LEU 55 -8.235 -1.761 5.424 106 HB2 LEU 55 2HB LEU 55 -7.897 0.289 3.786 107 HB3 LEU 55 1HB LEU 55 -6.545 -0.630 3.162 108 HG LEU 55 HG LEU 55 -9.424 -1.659 3.177 109 HD11 LEU 55 1HD1 LEU 55 -9.513 -1.086 0.796 110 HD12 LEU 55 2HD1 LEU 55 -7.906 -0.357 0.886 111 HD13 LEU 55 3HD1 LEU 55 -9.255 0.358 1.776 112 HD21 LEU 55 3HD2 LEU 55 -7.735 -3.451 3.025 113 HD22 LEU 55 1HD2 LEU 55 -7.014 -2.655 1.624 114 HD23 LEU 55 2HD2 LEU 55 -8.658 -3.296 1.533 115 H PHE 56 H PHE 56 -7.563 -3.865 5.458 116 HA PHE 56 HA PHE 56 -4.677 -4.449 5.738 117 HB2 PHE 56 2HB PHE 56 -7.081 -6.227 6.392 118 HB3 PHE 56 1HB PHE 56 -5.404 -6.541 6.813 119 HD1 PHE 56 HD2 PHE 56 -8.290 -4.284 7.500 120 HD2 PHE 56 HD1 PHE 56 -4.486 -5.685 8.866 121 HE1 PHE 56 HE2 PHE 56 -8.652 -3.172 9.663 122 HE2 PHE 56 HE1 PHE 56 -4.864 -4.570 11.025 123 HZ PHE 56 HZ PHE 56 -6.943 -3.315 11.427 124 H GLY 57 H GLY 57 -3.682 -5.995 4.361 125 HA2 GLY 57 2HA GLY 57 -4.978 -7.906 2.772 126 HA3 GLY 57 1HA GLY 57 -4.778 -6.464 1.776 127 H THR 58 H THR 58 -3.477 -7.905 0.463 128 HA THR 58 HA THR 58 -0.652 -7.985 1.336 129 HB THR 58 HB THR 58 -2.061 -9.982 -0.498 130 HG1 THR 58 HG1 THR 58 -1.575 -9.945 2.265 131 HG21 THR 58 3HG2 THR 58 0.362 -9.776 -0.994 132 HG22 THR 58 1HG2 THR 58 -0.004 -11.339 -0.258 133 HG23 THR 58 2HG2 THR 58 0.736 -10.059 0.708 134 H VAL 59 H VAL 59 0.824 -7.270 -0.174 135 HA VAL 59 HA VAL 59 -0.078 -5.544 -2.305 136 HB VAL 59 HB VAL 59 2.756 -6.352 -1.455 137 HG11 VAL 59 1HG1 VAL 59 1.889 -4.135 -3.357 138 HG12 VAL 59 2HG1 VAL 59 2.763 -5.604 -3.799 139 HG13 VAL 59 3HG1 VAL 59 3.534 -4.398 -2.771 140 HG21 VAL 59 3HG2 VAL 59 2.864 -4.144 -0.373 141 HG22 VAL 59 1HG2 VAL 59 1.559 -5.119 0.301 142 HG23 VAL 59 2HG2 VAL 59 1.191 -3.822 -0.836 143 H ALA 60 H ALA 60 -0.154 -6.072 -4.424 144 HA ALA 60 HA ALA 60 0.141 -8.806 -5.232 145 HB1 ALA 60 3HB ALA 60 -0.393 -6.347 -6.925 146 HB2 ALA 60 1HB ALA 60 -1.612 -7.374 -6.159 147 HB3 ALA 60 2HB ALA 60 -0.583 -8.031 -7.434 148 H ALA 61 H ALA 61 1.714 -9.755 -6.414 149 HA ALA 61 HA ALA 61 4.189 -8.378 -7.073 150 HB1 ALA 61 3HB ALA 61 4.281 -10.704 -6.310 151 HB2 ALA 61 1HB ALA 61 4.903 -10.579 -7.959 152 HB3 ALA 61 2HB ALA 61 3.278 -11.210 -7.671 153 H ASP 62 H ASP 62 1.197 -9.290 -8.574 154 HA ASP 62 HA ASP 62 2.050 -8.326 -11.228 155 HB2 ASP 62 2HB ASP 62 0.824 -10.488 -11.154 156 HB3 ASP 62 1HB ASP 62 -0.541 -9.707 -10.357 157 H GLY 63 H GLY 63 2.148 -6.181 -10.933 158 HA2 GLY 63 2HA GLY 63 0.872 -4.185 -11.499 159 HA3 GLY 63 1HA GLY 63 -0.370 -4.696 -10.368 160 H LEU 64 H LEU 64 3.033 -3.748 -10.569 161 HA LEU 64 HA LEU 64 2.800 -2.065 -8.195 162 HB2 LEU 64 2HB LEU 64 3.488 -4.466 -7.504 163 HB3 LEU 64 1HB LEU 64 5.013 -4.169 -8.326 164 HG LEU 64 HG LEU 64 3.993 -2.494 -5.971 165 HD11 LEU 64 1HD1 LEU 64 5.989 -4.773 -5.883 166 HD12 LEU 64 2HD1 LEU 64 4.335 -4.821 -5.263 167 HD13 LEU 64 3HD1 LEU 64 5.513 -3.732 -4.535 168 HD21 LEU 64 3HD2 LEU 64 6.769 -2.664 -7.209 169 HD22 LEU 64 1HD2 LEU 64 6.344 -1.765 -5.746 170 HD23 LEU 64 2HD2 LEU 64 5.657 -1.292 -7.295 171 H THR 65 H THR 65 3.754 -0.184 -8.730 172 HA THR 65 HA THR 65 6.291 -0.128 -10.203 173 HB THR 65 HB THR 65 3.912 1.695 -10.819 174 HG1 THR 65 HG1 THR 65 4.892 -0.640 -11.962 175 HG21 THR 65 3HG2 THR 65 5.321 2.628 -12.626 176 HG22 THR 65 1HG2 THR 65 6.686 1.655 -12.075 177 HG23 THR 65 2HG2 THR 65 6.039 2.938 -11.042 178 H MET 66 H MET 66 7.748 1.151 -9.171 179 HA MET 66 HA MET 66 6.859 2.565 -6.720 180 HB2 MET 66 2HB MET 66 9.688 1.687 -7.494 181 HB3 MET 66 1HB MET 66 9.186 2.348 -5.935 182 HG2 MET 66 2HG MET 66 7.782 0.356 -5.563 183 HG3 MET 66 1HG MET 66 8.290 -0.297 -7.116 184 HE1 MET 66 3HE MET 66 9.252 0.371 -3.385 185 HE2 MET 66 1HE MET 66 10.325 1.511 -4.199 186 HE3 MET 66 2HE MET 66 10.992 0.095 -3.382 187 H LEU 67 H LEU 67 7.955 4.626 -6.188 188 HA LEU 67 HA LEU 67 8.440 6.332 -8.514 189 HB2 LEU 67 2HB LEU 67 8.466 7.000 -5.535 190 HB3 LEU 67 1HB LEU 67 8.536 8.167 -6.854 191 HG LEU 67 HG LEU 67 6.167 6.345 -6.208 192 HD11 LEU 67 1HD1 LEU 67 6.403 8.166 -4.575 193 HD12 LEU 67 2HD1 LEU 67 4.972 8.390 -5.575 194 HD13 LEU 67 3HD1 LEU 67 6.418 9.358 -5.878 195 HD21 LEU 67 3HD2 LEU 67 6.317 6.716 -8.629 196 HD22 LEU 67 1HD2 LEU 67 6.406 8.463 -8.380 197 HD23 LEU 67 2HD2 LEU 67 4.937 7.577 -7.955 198 H ASP 68 H ASP 68 10.407 6.186 -9.407 199 HA ASP 68 HA ASP 68 12.592 4.824 -8.229 200 HB2 ASP 68 2HB ASP 68 12.551 6.578 -10.727 201 HB3 ASP 68 1HB ASP 68 13.835 5.452 -10.295 202 H GLY 69 H GLY 69 13.925 5.556 -6.718 203 HA2 GLY 69 2HA GLY 69 15.427 6.874 -5.589 204 HA3 GLY 69 1HA GLY 69 15.392 8.011 -6.922 205 H ALA 70 H ALA 70 12.352 7.243 -5.507 206 HA ALA 70 HA ALA 70 12.272 9.739 -3.927 207 HB1 ALA 70 3HB ALA 70 11.319 10.190 -6.154 208 HB2 ALA 70 1HB ALA 70 10.066 10.255 -4.913 209 HB3 ALA 70 2HB ALA 70 10.197 8.843 -5.966 210 HA PRO 71 HA PRO 71 10.365 6.949 -0.971 211 HB2 PRO 71 2HB PRO 71 9.343 8.723 0.829 212 HB3 PRO 71 1HB PRO 71 11.082 8.467 0.647 213 HG2 PRO 71 2HG PRO 71 9.363 10.670 -0.483 214 HG3 PRO 71 1HG PRO 71 10.962 10.782 0.287 215 HD2 PRO 71 2HD PRO 71 10.604 10.792 -2.436 216 HD3 PRO 71 1HD PRO 71 12.074 10.174 -1.657 217 H GLY 72 H GLY 72 8.848 6.136 -2.524 218 HA2 GLY 72 2HA GLY 72 6.219 6.120 -1.588 219 HA3 GLY 72 1HA GLY 72 6.263 7.192 -2.984 220 H VAL 73 H VAL 73 4.714 4.935 -3.015 221 HA VAL 73 HA VAL 73 5.718 3.480 -5.267 222 HB VAL 73 HB VAL 73 6.755 2.098 -3.551 223 HG11 VAL 73 1HG1 VAL 73 5.403 2.700 -1.584 224 HG12 VAL 73 2HG1 VAL 73 5.482 0.945 -1.762 225 HG13 VAL 73 3HG1 VAL 73 4.020 1.814 -2.238 226 HG21 VAL 73 3HG2 VAL 73 5.740 -0.097 -4.044 227 HG22 VAL 73 1HG2 VAL 73 5.799 0.910 -5.491 228 HG23 VAL 73 2HG2 VAL 73 4.277 0.696 -4.623 229 H ARG 74 H ARG 74 4.083 3.005 -6.569 230 HA ARG 74 HA ARG 74 1.297 2.934 -5.603 231 HB2 ARG 74 2HB ARG 74 1.665 4.501 -7.414 232 HB3 ARG 74 1HB ARG 74 2.553 3.302 -8.352 233 HG2 ARG 74 2HG ARG 74 0.429 1.995 -8.608 234 HG3 ARG 74 1HG ARG 74 -0.430 3.282 -7.752 235 HD2 ARG 74 2HD ARG 74 -0.623 3.438 -10.248 236 HD3 ARG 74 1HD ARG 74 0.084 4.873 -9.508 237 HE ARG 74 HE ARG 74 2.308 3.689 -10.151 238 HH11 ARG 74 1HH1 ARG 74 -0.591 3.609 -12.132 239 HH12 ARG 74 2HH1 ARG 74 0.296 3.601 -13.622 240 HH21 ARG 74 1HH2 ARG 74 3.446 3.663 -12.075 241 HH22 ARG 74 2HH2 ARG 74 2.604 3.623 -13.591 242 H PHE 75 H PHE 75 0.153 1.048 -5.764 243 HA PHE 75 HA PHE 75 1.002 -1.253 -7.295 244 HB2 PHE 75 2HB PHE 75 1.210 -2.789 -5.316 245 HB3 PHE 75 1HB PHE 75 2.489 -1.587 -5.374 246 HD1 PHE 75 HD2 PHE 75 2.581 0.235 -3.685 247 HD2 PHE 75 HD1 PHE 75 -0.438 -2.795 -3.489 248 HE1 PHE 75 HE2 PHE 75 2.087 0.870 -1.358 249 HE2 PHE 75 HE1 PHE 75 -0.929 -2.147 -1.169 250 HZ PHE 75 HZ PHE 75 0.332 -0.322 -0.100 251 H ARG 76 H ARG 76 -0.643 -3.155 -6.796 252 HA ARG 76 HA ARG 76 -3.248 -1.941 -6.022 253 HB2 ARG 76 2HB ARG 76 -4.439 -3.589 -7.252 254 HB3 ARG 76 1HB ARG 76 -3.162 -3.041 -8.327 255 HG2 ARG 76 2HG ARG 76 -1.897 -5.088 -7.942 256 HG3 ARG 76 1HG ARG 76 -3.042 -5.598 -6.703 257 HD2 ARG 76 2HD ARG 76 -4.820 -5.553 -8.592 258 HD3 ARG 76 1HD ARG 76 -3.438 -5.500 -9.698 259 HE ARG 76 HE ARG 76 -3.228 -7.614 -7.754 260 HH11 ARG 76 1HH1 ARG 76 -4.566 -6.835 -10.905 261 HH12 ARG 76 2HH1 ARG 76 -4.820 -8.496 -11.335 262 HH21 ARG 76 1HH2 ARG 76 -3.565 -9.765 -8.310 263 HH22 ARG 76 2HH2 ARG 76 -4.242 -10.168 -9.861 264 H LEU 77 H LEU 77 -3.885 -2.395 -4.013 265 HA LEU 77 HA LEU 77 -2.744 -4.579 -2.504 266 HB2 LEU 77 2HB LEU 77 -3.299 -2.308 -1.484 267 HB3 LEU 77 1HB LEU 77 -4.997 -2.728 -1.630 268 HG LEU 77 HG LEU 77 -4.574 -4.741 -0.144 269 HD11 LEU 77 1HD1 LEU 77 -1.838 -3.483 0.228 270 HD12 LEU 77 2HD1 LEU 77 -2.180 -5.004 -0.602 271 HD13 LEU 77 3HD1 LEU 77 -2.486 -4.860 1.125 272 HD21 LEU 77 3HD2 LEU 77 -5.478 -2.651 0.820 273 HD22 LEU 77 1HD2 LEU 77 -3.834 -2.079 1.118 274 HD23 LEU 77 2HD2 LEU 77 -4.445 -3.505 1.964 275 H GLU 78 H GLU 78 -3.485 -6.541 -2.767 276 HA GLU 78 HA GLU 78 -6.186 -7.183 -3.626 277 HB2 GLU 78 2HB GLU 78 -3.878 -8.994 -2.768 278 HB3 GLU 78 1HB GLU 78 -5.352 -9.512 -3.587 279 HG2 GLU 78 2HG GLU 78 -4.715 -8.258 -5.589 280 HG3 GLU 78 1HG GLU 78 -3.281 -7.638 -4.773 281 H ASP 79 H ASP 79 -7.828 -7.401 -2.175 282 HA ASP 79 HA ASP 79 -7.497 -6.860 0.574 283 HB2 ASP 79 2HB ASP 79 -9.572 -6.318 -0.682 284 HB3 ASP 79 1HB ASP 79 -9.921 -8.031 -0.856 285 H LYS 80 H LYS 80 -8.085 -8.075 2.373 286 HA LYS 80 HA LYS 80 -6.817 -10.257 3.192 287 HB2 LYS 80 2HB LYS 80 -9.732 -9.795 3.938 288 HB3 LYS 80 1HB LYS 80 -8.490 -10.539 4.946 289 HG2 LYS 80 2HG LYS 80 -7.365 -8.391 5.205 290 HG3 LYS 80 1HG LYS 80 -8.477 -7.624 4.069 291 HD2 LYS 80 2HD LYS 80 -9.173 -8.747 6.818 292 HD3 LYS 80 1HD LYS 80 -9.109 -7.043 6.357 293 HE2 LYS 80 2HE LYS 80 -11.095 -9.126 5.370 294 HE3 LYS 80 1HE LYS 80 -11.426 -7.776 6.454 295 HZ1 LYS 80 3HZ LYS 80 -10.648 -7.579 3.590 296 HZ2 LYS 80 1HZ LYS 80 -10.885 -6.261 4.628 297 HZ3 LYS 80 2HZ LYS 80 -12.173 -7.284 4.246 298 H ASP 81 H ASP 81 -10.110 -10.441 1.871 299 HA ASP 81 HA ASP 81 -9.768 -13.328 1.284 300 HB2 ASP 81 2HB ASP 81 -12.085 -13.720 2.077 301 HB3 ASP 81 1HB ASP 81 -11.067 -13.095 3.369 302 H ASN 82 H ASN 82 -11.185 -10.227 0.455 303 HA ASN 82 HA ASN 82 -12.788 -11.222 -1.744 304 HB2 ASN 82 2HB ASN 82 -12.076 -8.379 -0.883 305 HB3 ASN 82 1HB ASN 82 -13.097 -8.744 -2.272 306 HD21 ASN 82 1HD2 ASN 82 -12.898 -8.679 1.206 307 HD22 ASN 82 2HD2 ASN 82 -14.572 -8.957 1.513 308 H THR 83 H THR 83 -11.412 -12.285 -3.142 309 HA THR 83 HA THR 83 -9.109 -11.195 -4.387 310 HB THR 83 HB THR 83 -9.578 -13.609 -4.441 311 HG1 THR 83 HG1 THR 83 -8.621 -13.809 -6.322 312 HG21 THR 83 3HG2 THR 83 -11.871 -12.961 -6.330 313 HG22 THR 83 1HG2 THR 83 -12.040 -13.556 -4.676 314 HG23 THR 83 2HG2 THR 83 -11.299 -14.580 -5.910 315 H SER 84 H SER 84 -12.445 -10.566 -4.768 316 HA SER 84 HA SER 84 -12.554 -9.394 -7.337 317 HB2 SER 84 2HB SER 84 -14.638 -8.292 -6.356 318 HB3 SER 84 1HB SER 84 -14.585 -10.050 -6.217 319 HG SER 84 HG SER 84 -15.180 -9.193 -4.238 320 H LYS 85 H LYS 85 -11.987 -7.986 -4.089 321 HA LYS 85 HA LYS 85 -11.784 -5.278 -5.014 322 HB2 LYS 85 2HB LYS 85 -11.001 -6.496 -2.347 323 HB3 LYS 85 1HB LYS 85 -10.974 -4.769 -2.694 324 HG2 LYS 85 2HG LYS 85 -13.456 -4.890 -3.098 325 HG3 LYS 85 1HG LYS 85 -13.414 -6.579 -2.568 326 HD2 LYS 85 2HD LYS 85 -12.568 -5.870 -0.355 327 HD3 LYS 85 1HD LYS 85 -12.538 -4.185 -0.886 328 HE2 LYS 85 2HE LYS 85 -15.053 -4.374 -1.234 329 HE3 LYS 85 1HE LYS 85 -14.973 -5.942 -0.422 330 HZ1 LYS 85 3HZ LYS 85 -14.220 -3.302 0.709 331 HZ2 LYS 85 1HZ LYS 85 -13.962 -4.778 1.488 332 HZ3 LYS 85 2HZ LYS 85 -15.534 -4.265 1.158 333 H THR 86 H THR 86 -10.160 -5.577 -6.699 334 HA THR 86 HA THR 86 -7.378 -5.460 -5.682 335 HB THR 86 HB THR 86 -6.813 -5.413 -8.199 336 HG1 THR 86 HG1 THR 86 -9.408 -6.485 -8.614 337 HG21 THR 86 3HG2 THR 86 -7.081 -7.847 -8.501 338 HG22 THR 86 1HG2 THR 86 -8.269 -7.894 -7.193 339 HG23 THR 86 2HG2 THR 86 -6.584 -7.488 -6.846 340 H VAL 87 H VAL 87 -7.204 -3.459 -4.820 341 HA VAL 87 HA VAL 87 -8.262 -1.095 -6.295 342 HB VAL 87 HB VAL 87 -7.769 -1.407 -3.291 343 HG11 VAL 87 1HG1 VAL 87 -9.082 0.895 -4.796 344 HG12 VAL 87 2HG1 VAL 87 -7.514 0.945 -3.983 345 HG13 VAL 87 3HG1 VAL 87 -8.992 0.744 -3.038 346 HG21 VAL 87 3HG2 VAL 87 -9.665 -2.803 -3.973 347 HG22 VAL 87 1HG2 VAL 87 -10.414 -1.423 -4.783 348 HG23 VAL 87 2HG2 VAL 87 -10.231 -1.424 -3.027 349 H TRP 88 H TRP 88 -6.769 0.552 -6.741 350 HA TRP 88 HA TRP 88 -3.960 -0.107 -6.381 351 HB2 TRP 88 2HB TRP 88 -5.327 2.211 -7.814 352 HB3 TRP 88 1HB TRP 88 -3.582 1.952 -7.784 353 HD1 TRP 88 HD1 TRP 88 -6.786 0.541 -9.360 354 HE1 TRP 88 HE1 TRP 88 -6.143 -1.162 -11.167 355 HE3 TRP 88 HE3 TRP 88 -1.737 0.316 -8.534 356 HZ2 TRP 88 HZ2 TRP 88 -3.838 -2.460 -12.108 357 HZ3 TRP 88 HZ3 TRP 88 -0.381 -1.191 -9.930 358 HH2 TRP 88 HH2 TRP 88 -1.415 -2.553 -11.687 359 H VAL 89 H VAL 89 -2.496 1.165 -5.226 360 HA VAL 89 HA VAL 89 -3.591 3.024 -3.242 361 HB VAL 89 HB VAL 89 -1.722 0.689 -2.584 362 HG11 VAL 89 1HG1 VAL 89 -1.882 1.466 -0.230 363 HG12 VAL 89 2HG1 VAL 89 -2.844 2.851 -0.753 364 HG13 VAL 89 3HG1 VAL 89 -1.159 2.708 -1.262 365 HG21 VAL 89 3HG2 VAL 89 -3.570 -0.162 -1.173 366 HG22 VAL 89 1HG2 VAL 89 -4.057 -0.071 -2.871 367 HG23 VAL 89 2HG2 VAL 89 -4.604 1.159 -1.725 368 H LEU 90 H LEU 90 -2.545 4.830 -3.461 369 HA LEU 90 HA LEU 90 0.259 4.931 -4.358 370 HB2 LEU 90 2HB LEU 90 -1.357 6.448 -5.485 371 HB3 LEU 90 1HB LEU 90 -1.778 7.161 -3.937 372 HG LEU 90 HG LEU 90 0.545 8.065 -3.725 373 HD11 LEU 90 1HD1 LEU 90 0.959 6.946 -6.521 374 HD12 LEU 90 2HD1 LEU 90 1.754 6.383 -5.045 375 HD13 LEU 90 3HD1 LEU 90 2.071 8.006 -5.654 376 HD21 LEU 90 3HD2 LEU 90 -0.876 8.845 -6.300 377 HD22 LEU 90 1HD2 LEU 90 0.323 9.820 -5.448 378 HD23 LEU 90 2HD2 LEU 90 -1.229 9.475 -4.688 379 H TYR 91 H TYR 91 1.233 4.143 -2.510 380 HA TYR 91 HA TYR 91 0.956 5.531 0.047 381 HB2 TYR 91 2HB TYR 91 1.427 3.164 0.252 382 HB3 TYR 91 1HB TYR 91 2.777 3.265 -0.878 383 HD1 TYR 91 HD1 TYR 91 1.718 4.877 2.362 384 HD2 TYR 91 HD2 TYR 91 4.940 3.198 0.114 385 HE1 TYR 91 HE1 TYR 91 3.243 5.288 4.238 386 HE2 TYR 91 HE2 TYR 91 6.461 3.595 2.001 387 HH TYR 91 HH TYR 91 6.628 5.042 3.945 388 H LYS 92 H LYS 92 1.853 7.551 0.128 389 HA LYS 92 HA LYS 92 4.557 7.950 -1.015 390 HB2 LYS 92 2HB LYS 92 2.368 9.963 -0.382 391 HB3 LYS 92 1HB LYS 92 4.017 10.421 -0.814 392 HG2 LYS 92 2HG LYS 92 3.779 9.305 -2.998 393 HG3 LYS 92 1HG LYS 92 2.140 8.792 -2.582 394 HD2 LYS 92 2HD LYS 92 3.066 11.686 -2.819 395 HD3 LYS 92 1HD LYS 92 2.200 10.797 -4.079 396 HE2 LYS 92 2HE LYS 92 0.241 10.594 -2.651 397 HE3 LYS 92 1HE LYS 92 1.107 11.302 -1.286 398 HZ1 LYS 92 3HZ LYS 92 -0.310 12.916 -2.302 399 HZ2 LYS 92 1HZ LYS 92 0.402 12.675 -3.812 400 HZ3 LYS 92 2HZ LYS 92 1.301 13.362 -2.557 401 H GLY 93 H GLY 93 6.155 8.105 0.322 402 HA2 GLY 93 2HA GLY 93 6.760 9.164 2.663 403 HA3 GLY 93 1HA GLY 93 5.724 7.845 3.212 404 H ALA 94 H ALA 94 8.240 7.696 4.132 405 HA ALA 94 HA ALA 94 10.245 6.601 2.515 406 HB1 ALA 94 3HB ALA 94 10.667 7.495 4.767 407 HB2 ALA 94 1HB ALA 94 11.294 5.851 4.624 408 HB3 ALA 94 2HB ALA 94 9.779 6.148 5.484 409 H VAL 95 H VAL 95 10.174 4.741 1.368 410 HA VAL 95 HA VAL 95 8.207 2.699 1.862 411 HB VAL 95 HB VAL 95 10.474 2.693 -0.191 412 HG11 VAL 95 1HG1 VAL 95 7.909 1.043 -0.094 413 HG12 VAL 95 2HG1 VAL 95 9.546 0.433 0.170 414 HG13 VAL 95 3HG1 VAL 95 9.078 1.045 -1.417 415 HG21 VAL 95 3HG2 VAL 95 8.783 3.486 -1.823 416 HG22 VAL 95 1HG2 VAL 95 9.039 4.659 -0.525 417 HG23 VAL 95 2HG2 VAL 95 7.598 3.633 -0.520 418 HA PRO 96 HA PRO 96 10.854 0.455 4.775 419 HB2 PRO 96 2HB PRO 96 8.929 -1.779 4.141 420 HB3 PRO 96 1HB PRO 96 9.442 -1.148 5.715 421 HG2 PRO 96 2HG PRO 96 7.032 -0.546 4.748 422 HG3 PRO 96 1HG PRO 96 7.989 0.691 5.590 423 HD2 PRO 96 2HD PRO 96 7.560 0.323 2.628 424 HD3 PRO 96 1HD PRO 96 7.600 1.822 3.587 425 H ASP 97 H ASP 97 12.589 -0.892 4.595 426 HA ASP 97 HA ASP 97 13.456 -2.127 2.194 427 HB2 ASP 97 2HB ASP 97 14.298 -2.811 5.056 428 HB3 ASP 97 1HB ASP 97 15.202 -3.165 3.586 429 H THR 98 H THR 98 11.449 -3.151 4.831 430 HA THR 98 HA THR 98 11.310 -5.962 4.212 431 HB THR 98 HB THR 98 9.358 -5.838 5.906 432 HG1 THR 98 HG1 THR 98 10.298 -3.380 6.789 433 HG21 THR 98 3HG2 THR 98 10.849 -5.539 7.852 434 HG22 THR 98 1HG2 THR 98 12.084 -4.833 6.803 435 HG23 THR 98 2HG2 THR 98 11.619 -6.526 6.611 436 H PHE 99 H PHE 99 9.880 -3.206 2.789 437 HA PHE 99 HA PHE 99 7.442 -4.434 1.850 438 HB2 PHE 99 2HB PHE 99 7.597 -1.979 1.970 439 HB3 PHE 99 1HB PHE 99 8.942 -1.975 0.839 440 HD1 PHE 99 HD1 PHE 99 5.297 -2.748 1.133 441 HD2 PHE 99 HD2 PHE 99 8.529 -1.892 -1.530 442 HE1 PHE 99 HE1 PHE 99 3.720 -2.548 -0.737 443 HE2 PHE 99 HE2 PHE 99 6.938 -1.699 -3.390 444 HZ PHE 99 HZ PHE 99 4.528 -2.029 -2.998 445 H LYS 100 H LYS 100 7.073 -5.486 -0.049 446 HA LYS 100 HA LYS 100 8.958 -5.682 -2.214 447 HB2 LYS 100 2HB LYS 100 9.253 -8.165 -2.014 448 HB3 LYS 100 1HB LYS 100 9.969 -7.307 -0.649 449 HG2 LYS 100 2HG LYS 100 7.990 -7.844 0.733 450 HG3 LYS 100 1HG LYS 100 7.270 -8.696 -0.639 451 HD2 LYS 100 2HD LYS 100 9.100 -10.332 -0.605 452 HD3 LYS 100 1HD LYS 100 9.868 -9.477 0.741 453 HE2 LYS 100 2HE LYS 100 7.934 -9.982 2.183 454 HE3 LYS 100 1HE LYS 100 7.106 -10.765 0.833 455 HZ1 LYS 100 3HZ LYS 100 9.662 -11.664 2.045 456 HZ2 LYS 100 1HZ LYS 100 8.850 -12.416 0.766 457 HZ3 LYS 100 2HZ LYS 100 8.142 -12.360 2.300 458 HA PRO 101 HA PRO 101 5.074 -6.906 -4.348 459 HB2 PRO 101 2HB PRO 101 6.075 -8.658 -6.261 460 HB3 PRO 101 1HB PRO 101 6.117 -6.895 -6.412 461 HG2 PRO 101 2HG PRO 101 8.285 -8.775 -5.474 462 HG3 PRO 101 1HG PRO 101 8.402 -7.408 -6.604 463 HD2 PRO 101 2HD PRO 101 9.175 -7.142 -4.047 464 HD3 PRO 101 1HD PRO 101 8.345 -5.806 -4.882 465 H GLY 102 H GLY 102 3.926 -8.051 -2.826 466 HA2 GLY 102 2HA GLY 102 2.943 -10.302 -2.560 467 HA3 GLY 102 1HA GLY 102 4.573 -10.936 -2.426 468 H VAL 103 H VAL 103 4.847 -8.159 -0.699 469 HA VAL 103 HA VAL 103 4.645 -9.511 1.828 470 HB VAL 103 HB VAL 103 6.312 -7.704 1.435 471 HG11 VAL 103 1HG1 VAL 103 5.694 -5.322 1.564 472 HG12 VAL 103 2HG1 VAL 103 3.987 -5.773 1.577 473 HG13 VAL 103 3HG1 VAL 103 4.971 -6.105 0.156 474 HG21 VAL 103 3HG2 VAL 103 4.469 -7.126 3.778 475 HG22 VAL 103 1HG2 VAL 103 6.159 -6.626 3.648 476 HG23 VAL 103 2HG2 VAL 103 5.749 -8.339 3.746 477 H GLU 104 H GLU 104 2.965 -9.631 3.246 478 HA GLU 104 HA GLU 104 0.415 -8.408 2.742 479 HB2 GLU 104 2HB GLU 104 1.456 -9.791 5.253 480 HB3 GLU 104 1HB GLU 104 -0.230 -9.362 4.939 481 HG2 GLU 104 2HG GLU 104 -0.145 -10.888 2.925 482 HG3 GLU 104 1HG GLU 104 1.458 -11.407 3.445 483 H VAL 105 H VAL 105 -0.239 -6.428 3.367 484 HA VAL 105 HA VAL 105 1.320 -4.957 5.412 485 HB VAL 105 HB VAL 105 1.103 -2.849 4.132 486 HG11 VAL 105 1HG1 VAL 105 3.193 -4.115 3.925 487 HG12 VAL 105 2HG1 VAL 105 2.818 -3.277 2.420 488 HG13 VAL 105 3HG1 VAL 105 2.535 -5.015 2.553 489 HG21 VAL 105 3HG2 VAL 105 0.447 -2.846 1.748 490 HG22 VAL 105 1HG2 VAL 105 -0.893 -3.362 2.773 491 HG23 VAL 105 2HG2 VAL 105 0.026 -4.556 1.854 492 H ILE 106 H ILE 106 0.274 -3.364 6.518 493 HA ILE 106 HA ILE 106 -2.675 -3.204 6.399 494 HB ILE 106 HB ILE 106 -0.797 -2.584 8.742 495 HG12 ILE 106 2HG1 ILE 106 -2.647 -4.996 8.436 496 HG13 ILE 106 1HG1 ILE 106 -0.899 -5.045 8.229 497 HG21 ILE 106 1HG2 ILE 106 -3.834 -2.699 8.680 498 HG22 ILE 106 2HG2 ILE 106 -2.858 -1.235 8.780 499 HG23 ILE 106 3HG2 ILE 106 -2.838 -2.396 10.104 500 HD11 ILE 106 3HD1 ILE 106 -1.525 -5.894 10.394 501 HD12 ILE 106 1HD1 ILE 106 -2.381 -4.403 10.782 502 HD13 ILE 106 2HD1 ILE 106 -0.624 -4.394 10.595 503 H ILE 107 H ILE 107 -3.077 -1.407 5.172 504 HA ILE 107 HA ILE 107 -1.228 0.901 5.298 505 HB ILE 107 HB ILE 107 -2.296 1.744 3.266 506 HG12 ILE 107 2HG1 ILE 107 -4.176 -0.659 3.403 507 HG13 ILE 107 1HG1 ILE 107 -4.640 1.009 3.714 508 HG21 ILE 107 1HG2 ILE 107 -1.689 -0.035 1.651 509 HG22 ILE 107 2HG2 ILE 107 -1.662 -1.215 2.966 510 HG23 ILE 107 3HG2 ILE 107 -0.497 0.109 2.945 511 HD11 ILE 107 3HD1 ILE 107 -4.115 1.554 1.361 512 HD12 ILE 107 1HD1 ILE 107 -5.367 0.324 1.538 513 HD13 ILE 107 2HD1 ILE 107 -3.732 -0.150 1.083 514 H GLU 108 H GLU 108 -2.061 3.014 5.601 515 HA GLU 108 HA GLU 108 -4.817 3.339 6.559 516 HB2 GLU 108 2HB GLU 108 -3.490 2.935 8.609 517 HB3 GLU 108 1HB GLU 108 -2.333 4.175 8.136 518 HG2 GLU 108 2HG GLU 108 -4.141 5.880 8.291 519 HG3 GLU 108 1HG GLU 108 -5.239 4.615 8.844 520 H GLY 109 H GLY 109 -5.659 5.292 5.976 521 HA2 GLY 109 2HA GLY 109 -4.366 7.703 5.561 522 HA3 GLY 109 1HA GLY 109 -4.318 6.868 4.010 523 H GLY 110 H GLY 110 -5.875 7.657 2.720 524 HA2 GLY 110 2HA GLY 110 -8.651 7.689 3.624 525 HA3 GLY 110 1HA GLY 110 -7.966 9.256 3.201 526 H LEU 111 H LEU 111 -10.146 7.805 1.963 527 HA LEU 111 HA LEU 111 -9.170 7.684 -0.839 528 HB2 LEU 111 2HB LEU 111 -9.920 5.455 -0.037 529 HB3 LEU 111 1HB LEU 111 -11.462 6.134 0.444 530 HG LEU 111 HG LEU 111 -11.995 6.611 -1.957 531 HD11 LEU 111 1HD1 LEU 111 -10.618 5.649 -3.743 532 HD12 LEU 111 2HD1 LEU 111 -9.404 5.153 -2.558 533 HD13 LEU 111 3HD1 LEU 111 -9.727 6.869 -2.833 534 HD21 LEU 111 3HD2 LEU 111 -11.282 3.711 -1.404 535 HD22 LEU 111 1HD2 LEU 111 -12.388 4.284 -2.654 536 HD23 LEU 111 2HD2 LEU 111 -12.789 4.516 -0.955 537 H ALA 112 H ALA 112 -10.259 8.963 -2.255 538 HA ALA 112 HA ALA 112 -12.229 10.872 -1.261 539 HB1 ALA 112 3HB ALA 112 -10.487 11.645 -2.813 540 HB2 ALA 112 1HB ALA 112 -12.092 11.894 -3.497 541 HB3 ALA 112 2HB ALA 112 -11.087 10.556 -4.063 542 HA PRO 113 HA PRO 113 -15.834 8.377 -2.298 543 HB2 PRO 113 2HB PRO 113 -17.169 11.042 -2.757 544 HB3 PRO 113 1HB PRO 113 -17.692 9.679 -1.751 545 HG2 PRO 113 2HG PRO 113 -16.646 11.835 -0.602 546 HG3 PRO 113 1HG PRO 113 -16.194 10.218 -0.016 547 HD2 PRO 113 2HD PRO 113 -14.637 12.092 -1.812 548 HD3 PRO 113 1HD PRO 113 -14.067 11.100 -0.447 549 H GLY 114 H GLY 114 -15.652 7.330 -4.209 550 HA2 GLY 114 2HA GLY 114 -16.491 6.991 -6.416 551 HA3 GLY 114 1HA GLY 114 -16.402 8.717 -6.722 552 H GLU 115 H GLU 115 -13.623 7.735 -5.151 553 HA GLU 115 HA GLU 115 -12.057 7.672 -7.636 554 HB2 GLU 115 2HB GLU 115 -11.455 9.301 -5.856 555 HB3 GLU 115 1HB GLU 115 -11.245 7.983 -4.714 556 HG2 GLU 115 2HG GLU 115 -9.342 7.137 -6.063 557 HG3 GLU 115 1HG GLU 115 -9.546 8.490 -7.175 558 H ASP 116 H ASP 116 -10.336 6.036 -7.856 559 HA ASP 116 HA ASP 116 -11.248 3.360 -6.926 560 HB2 ASP 116 2HB ASP 116 -9.708 4.113 -9.464 561 HB3 ASP 116 1HB ASP 116 -10.257 2.491 -9.037 562 H THR 117 H THR 117 -8.930 5.514 -6.104 563 HA THR 117 HA THR 117 -6.879 3.491 -5.650 564 HB THR 117 HB THR 117 -6.106 4.556 -7.696 565 HG1 THR 117 HG1 THR 117 -4.681 4.087 -5.763 566 HG21 THR 117 3HG2 THR 117 -5.492 6.919 -7.837 567 HG22 THR 117 1HG2 THR 117 -6.088 7.200 -6.199 568 HG23 THR 117 2HG2 THR 117 -7.219 6.779 -7.492 569 H PHE 118 H PHE 118 -6.389 3.467 -3.604 570 HA PHE 118 HA PHE 118 -7.230 5.514 -1.735 571 HB2 PHE 118 2HB PHE 118 -7.569 3.052 -1.357 572 HB3 PHE 118 1HB PHE 118 -5.826 2.833 -1.294 573 HD1 PHE 118 HD2 PHE 118 -8.781 4.086 0.494 574 HD2 PHE 118 HD1 PHE 118 -4.544 3.570 0.687 575 HE1 PHE 118 HE2 PHE 118 -8.834 4.494 2.909 576 HE2 PHE 118 HE1 PHE 118 -4.613 3.979 3.109 577 HZ PHE 118 HZ PHE 118 -6.759 4.439 4.216 578 H LYS 119 H LYS 119 -5.843 6.984 -0.718 579 HA LYS 119 HA LYS 119 -2.942 6.842 -1.300 580 HB2 LYS 119 2HB LYS 119 -4.742 9.058 -0.299 581 HB3 LYS 119 1HB LYS 119 -3.011 9.165 -0.046 582 HG2 LYS 119 2HG LYS 119 -2.565 9.682 -2.212 583 HG3 LYS 119 1HG LYS 119 -3.746 8.543 -2.847 584 HD2 LYS 119 2HD LYS 119 -4.404 11.281 -1.692 585 HD3 LYS 119 1HD LYS 119 -4.296 10.901 -3.415 586 HE2 LYS 119 2HE LYS 119 -6.293 9.745 -1.433 587 HE3 LYS 119 1HE LYS 119 -6.632 10.874 -2.744 588 HZ1 LYS 119 3HZ LYS 119 -6.087 9.219 -4.357 589 HZ2 LYS 119 1HZ LYS 119 -7.201 8.554 -3.272 590 HZ3 LYS 119 2HZ LYS 119 -5.565 8.136 -3.169 591 H ALA 120 H ALA 120 -1.822 5.649 0.108 592 HA ALA 120 HA ALA 120 -2.618 5.411 2.919 593 HB1 ALA 120 3HB ALA 120 -1.984 3.353 1.719 594 HB2 ALA 120 1HB ALA 120 -0.872 3.675 3.053 595 HB3 ALA 120 2HB ALA 120 -0.383 4.018 1.388 596 H ARG 121 H ARG 121 -1.889 6.945 4.258 597 HA ARG 121 HA ARG 121 0.534 8.455 3.810 598 HB2 ARG 121 2HB ARG 121 -0.040 9.498 6.074 599 HB3 ARG 121 1HB ARG 121 -1.209 9.723 4.791 600 HG2 ARG 121 2HG ARG 121 -2.598 9.279 6.593 601 HG3 ARG 121 1HG ARG 121 -2.441 7.678 5.881 602 HD2 ARG 121 2HD ARG 121 -2.271 7.545 8.309 603 HD3 ARG 121 1HD ARG 121 -0.720 7.115 7.571 604 HE ARG 121 HE ARG 121 -0.499 9.792 8.055 605 HH11 ARG 121 1HH1 ARG 121 -1.178 7.030 10.100 606 HH12 ARG 121 2HH1 ARG 121 -0.502 7.769 11.511 607 HH21 ARG 121 1HH2 ARG 121 0.355 10.749 9.912 608 HH22 ARG 121 2HH2 ARG 121 0.358 9.874 11.407 609 H THR 122 H THR 122 -0.322 5.535 5.474 610 HA THR 122 HA THR 122 2.478 5.174 6.304 611 HB THR 122 HB THR 122 1.538 3.900 8.392 612 HG1 THR 122 HG1 THR 122 -0.491 4.219 8.911 613 HG21 THR 122 3HG2 THR 122 1.563 5.922 9.804 614 HG22 THR 122 1HG2 THR 122 1.421 6.936 8.362 615 HG23 THR 122 2HG2 THR 122 2.869 5.961 8.617 616 H LEU 123 H LEU 123 3.118 2.985 6.453 617 HA LEU 123 HA LEU 123 1.437 0.941 5.147 618 HB2 LEU 123 2HB LEU 123 2.937 2.082 3.457 619 HB3 LEU 123 1HB LEU 123 4.323 1.602 4.413 620 HG LEU 123 HG LEU 123 3.544 -0.842 3.996 621 HD11 LEU 123 1HD1 LEU 123 1.275 -0.357 3.228 622 HD12 LEU 123 2HD1 LEU 123 2.183 -1.216 1.988 623 HD13 LEU 123 3HD1 LEU 123 1.915 0.523 1.836 624 HD21 LEU 123 3HD2 LEU 123 4.673 -0.935 1.811 625 HD22 LEU 123 1HD2 LEU 123 5.534 0.102 2.945 626 HD23 LEU 123 2HD2 LEU 123 4.552 0.820 1.666 627 H MET 124 H MET 124 1.531 -0.892 6.373 628 HA MET 124 HA MET 124 3.790 -1.236 8.275 629 HB2 MET 124 2HB MET 124 1.642 -0.538 9.345 630 HB3 MET 124 1HB MET 124 0.848 -1.939 8.661 631 HG2 MET 124 2HG MET 124 2.299 -3.419 10.013 632 HG3 MET 124 1HG MET 124 3.047 -1.988 10.734 633 HE1 MET 124 3HE MET 124 1.557 -0.107 12.052 634 HE2 MET 124 1HE MET 124 -0.123 -0.360 12.519 635 HE3 MET 124 2HE MET 124 0.289 -0.099 10.826 636 H THR 125 H THR 125 4.998 -2.684 7.115 637 HA THR 125 HA THR 125 3.893 -4.903 5.644 638 HB THR 125 HB THR 125 6.294 -5.523 5.285 639 HG1 THR 125 HG1 THR 125 7.582 -4.893 6.835 640 HG21 THR 125 3HG2 THR 125 5.751 -2.554 4.872 641 HG22 THR 125 1HG2 THR 125 5.277 -3.847 3.763 642 HG23 THR 125 2HG2 THR 125 6.987 -3.500 4.040 643 H LYS 126 H LYS 126 3.862 -7.086 6.258 644 HA LYS 126 HA LYS 126 3.954 -7.590 9.145 645 HB2 LYS 126 2HB LYS 126 1.828 -7.966 7.874 646 HB3 LYS 126 1HB LYS 126 2.630 -9.163 6.874 647 HG2 LYS 126 2HG LYS 126 1.178 -10.166 8.621 648 HG3 LYS 126 1HG LYS 126 2.864 -10.670 8.763 649 HD2 LYS 126 2HD LYS 126 1.921 -10.192 10.981 650 HD3 LYS 126 1HD LYS 126 3.210 -9.054 10.599 651 HE2 LYS 126 2HE LYS 126 1.440 -7.385 9.936 652 HE3 LYS 126 1HE LYS 126 0.216 -8.511 10.533 653 HZ1 LYS 126 3HZ LYS 126 0.792 -6.857 12.189 654 HZ2 LYS 126 1HZ LYS 126 2.420 -7.314 12.128 655 HZ3 LYS 126 2HZ LYS 126 1.259 -8.392 12.710 656 H CYS 127 H CYS 127 5.765 -8.230 6.315 657 HA CYS 127 HA CYS 127 7.004 -10.685 7.291 658 HB2 CYS 127 2HB CYS 127 7.624 -8.964 4.860 659 HB3 CYS 127 1HB CYS 127 8.311 -10.555 5.197 660 HG CYS 127 HG CYS 127 5.717 -11.791 5.112 661 HA PRO 128 HA PRO 128 10.123 -7.929 9.291 662 HB2 PRO 128 2HB PRO 128 10.713 -10.021 11.221 663 HB3 PRO 128 1HB PRO 128 9.796 -8.536 11.479 664 HG2 PRO 128 2HG PRO 128 8.687 -11.079 11.546 665 HG3 PRO 128 1HG PRO 128 7.775 -9.592 11.234 666 HD2 PRO 128 2HD PRO 128 8.847 -11.602 9.255 667 HD3 PRO 128 1HD PRO 128 7.266 -10.784 9.294 668 H LEU 129 H LEU 129 11.349 -8.209 7.349 669 HA LEU 129 HA LEU 129 13.048 -10.376 6.744 670 HB2 LEU 129 2HB LEU 129 12.325 -8.413 5.255 671 HB3 LEU 129 1HB LEU 129 13.559 -7.457 6.045 672 HG LEU 129 HG LEU 129 14.102 -9.952 4.360 673 HD11 LEU 129 1HD1 LEU 129 13.184 -8.149 2.991 674 HD12 LEU 129 2HD1 LEU 129 14.892 -8.386 2.628 675 HD13 LEU 129 3HD1 LEU 129 14.387 -7.018 3.625 676 HD21 LEU 129 3HD2 LEU 129 16.471 -9.213 4.349 677 HD22 LEU 129 1HD2 LEU 129 15.913 -9.577 5.983 678 HD23 LEU 129 2HD2 LEU 129 16.067 -7.901 5.459 679 H GLU 130 H GLU 130 14.586 -11.133 8.063 680 HA GLU 130 HA GLU 130 15.758 -9.569 10.181 681 HB2 GLU 130 2HB GLU 130 16.278 -12.440 9.297 682 HB3 GLU 130 1HB GLU 130 16.910 -11.699 10.768 683 HG2 GLU 130 2HG GLU 130 14.645 -11.430 11.650 684 HG3 GLU 130 1HG GLU 130 13.953 -12.065 10.156 Start of MODEL 7 1 H1 MET 43 1H MET 43 -11.834 21.627 -7.253 2 H2 MET 43 2H MET 43 -12.355 23.232 -7.131 3 H3 MET 43 3H MET 43 -13.145 22.159 -8.171 4 HA MET 43 HA MET 43 -14.390 22.605 -6.135 5 HB2 MET 43 2HB MET 43 -14.849 20.530 -7.292 6 HB3 MET 43 1HB MET 43 -13.419 19.763 -6.618 7 HG2 MET 43 2HG MET 43 -15.537 18.999 -5.565 8 HG3 MET 43 1HG MET 43 -14.396 19.702 -4.420 9 HE1 MET 43 3HE MET 43 -17.792 20.771 -2.805 10 HE2 MET 43 1HE MET 43 -16.210 20.039 -2.520 11 HE3 MET 43 2HE MET 43 -17.387 19.231 -3.559 12 H ALA 44 H ALA 44 -13.896 23.516 -4.243 13 HA ALA 44 HA ALA 44 -11.553 22.795 -2.683 14 HB1 ALA 44 3HB ALA 44 -12.216 24.660 -1.215 15 HB2 ALA 44 1HB ALA 44 -13.725 24.841 -2.112 16 HB3 ALA 44 2HB ALA 44 -12.185 25.165 -2.907 17 H THR 45 H THR 45 -12.105 20.629 -2.183 18 HA THR 45 HA THR 45 -14.369 20.014 -0.496 19 HB THR 45 HB THR 45 -13.274 17.750 -0.280 20 HG1 THR 45 HG1 THR 45 -11.104 18.387 -0.519 21 HG21 THR 45 3HG2 THR 45 -13.551 18.749 -3.135 22 HG22 THR 45 1HG2 THR 45 -14.866 18.147 -2.120 23 HG23 THR 45 2HG2 THR 45 -13.573 17.060 -2.631 24 HA PRO 46 HA PRO 46 -12.272 21.314 3.397 25 HB2 PRO 46 2HB PRO 46 -14.471 19.512 4.447 26 HB3 PRO 46 1HB PRO 46 -13.973 21.115 5.013 27 HG2 PRO 46 2HG PRO 46 -16.186 20.865 3.563 28 HG3 PRO 46 1HG PRO 46 -15.075 22.218 3.255 29 HD2 PRO 46 2HD PRO 46 -15.429 19.665 1.693 30 HD3 PRO 46 1HD PRO 46 -15.174 21.322 1.098 31 H GLN 47 H GLN 47 -10.359 20.257 3.535 32 HA GLN 47 HA GLN 47 -9.868 17.668 2.692 33 HB2 GLN 47 2HB GLN 47 -7.591 17.916 3.496 34 HB3 GLN 47 1HB GLN 47 -8.126 19.424 2.785 35 HG2 GLN 47 2HG GLN 47 -7.950 18.878 5.766 36 HG3 GLN 47 1HG GLN 47 -6.723 19.715 4.824 37 HE21 GLN 47 1HE2 GLN 47 -9.923 19.922 6.223 38 HE22 GLN 47 2HE2 GLN 47 -10.098 21.634 6.070 39 H ASP 48 H ASP 48 -10.311 15.765 3.522 40 HA ASP 48 HA ASP 48 -11.252 15.461 6.231 41 HB2 ASP 48 2HB ASP 48 -12.363 14.210 4.461 42 HB3 ASP 48 1HB ASP 48 -10.849 13.424 4.015 43 H LYS 49 H LYS 49 -10.045 15.116 7.875 44 HA LYS 49 HA LYS 49 -7.410 13.778 7.696 45 HB2 LYS 49 2HB LYS 49 -7.189 16.181 8.202 46 HB3 LYS 49 1HB LYS 49 -8.352 16.054 9.516 47 HG2 LYS 49 2HG LYS 49 -6.055 16.219 10.356 48 HG3 LYS 49 1HG LYS 49 -6.779 14.668 10.797 49 HD2 LYS 49 2HD LYS 49 -5.573 13.620 8.859 50 HD3 LYS 49 1HD LYS 49 -4.793 15.177 8.550 51 HE2 LYS 49 2HE LYS 49 -3.745 15.086 10.785 52 HE3 LYS 49 1HE LYS 49 -4.532 13.536 11.101 53 HZ1 LYS 49 3HZ LYS 49 -3.316 12.624 9.207 54 HZ2 LYS 49 1HZ LYS 49 -2.279 13.212 10.404 55 HZ3 LYS 49 2HZ LYS 49 -2.533 14.106 8.992 56 H LEU 50 H LEU 50 -10.482 14.111 9.350 57 HA LEU 50 HA LEU 50 -9.706 12.693 11.729 58 HB2 LEU 50 2HB LEU 50 -12.405 13.708 10.791 59 HB3 LEU 50 1HB LEU 50 -12.106 13.003 12.376 60 HG LEU 50 HG LEU 50 -10.860 15.573 11.309 61 HD11 LEU 50 1HD1 LEU 50 -12.185 16.703 13.039 62 HD12 LEU 50 2HD1 LEU 50 -12.949 15.169 13.469 63 HD13 LEU 50 3HD1 LEU 50 -13.207 15.871 11.869 64 HD21 LEU 50 3HD2 LEU 50 -10.498 14.269 14.037 65 HD22 LEU 50 1HD2 LEU 50 -9.889 15.859 13.560 66 HD23 LEU 50 2HD2 LEU 50 -9.270 14.409 12.775 67 H HIS 51 H HIS 51 -11.534 11.840 8.790 68 HA HIS 51 HA HIS 51 -12.095 9.148 9.834 69 HB2 HIS 51 2HB HIS 51 -12.692 10.265 7.060 70 HB3 HIS 51 1HB HIS 51 -13.265 8.735 7.711 71 HD1 HIS 51 HD1 HIS 51 -14.188 12.207 7.339 72 HD2 HIS 51 HD2 HIS 51 -15.145 9.132 9.969 73 HE1 HIS 51 HE1 HIS 51 -16.328 12.913 8.447 74 HE2 HIS 51 HE2 HIS 51 -16.784 11.124 10.159 75 H THR 52 H THR 52 -9.749 8.792 10.130 76 HA THR 52 HA THR 52 -8.081 8.235 7.861 77 HB THR 52 HB THR 52 -7.835 7.163 10.716 78 HG1 THR 52 HG1 THR 52 -7.038 9.580 9.486 79 HG21 THR 52 3HG2 THR 52 -5.431 6.843 10.155 80 HG22 THR 52 1HG2 THR 52 -5.745 7.353 8.497 81 HG23 THR 52 2HG2 THR 52 -6.465 5.861 9.114 82 H VAL 53 H VAL 53 -8.189 6.462 6.575 83 HA VAL 53 HA VAL 53 -10.021 4.246 7.285 84 HB VAL 53 HB VAL 53 -8.969 4.985 4.511 85 HG11 VAL 53 1HG1 VAL 53 -10.755 3.494 3.661 86 HG12 VAL 53 2HG1 VAL 53 -11.219 3.099 5.318 87 HG13 VAL 53 3HG1 VAL 53 -9.635 2.615 4.708 88 HG21 VAL 53 3HG2 VAL 53 -11.674 5.664 5.725 89 HG22 VAL 53 1HG2 VAL 53 -11.203 5.939 4.045 90 HG23 VAL 53 2HG2 VAL 53 -10.386 6.812 5.344 91 H ARG 54 H ARG 54 -9.227 2.123 7.120 92 HA ARG 54 HA ARG 54 -6.359 1.715 6.601 93 HB2 ARG 54 2HB ARG 54 -6.401 2.073 8.972 94 HB3 ARG 54 1HB ARG 54 -7.832 1.072 9.184 95 HG2 ARG 54 2HG ARG 54 -6.582 -0.947 8.788 96 HG3 ARG 54 1HG ARG 54 -5.154 -0.041 8.279 97 HD2 ARG 54 2HD ARG 54 -5.047 -0.992 10.621 98 HD3 ARG 54 1HD ARG 54 -4.751 0.746 10.510 99 HE ARG 54 HE ARG 54 -7.477 -0.130 11.124 100 HH11 ARG 54 1HH1 ARG 54 -4.458 1.164 12.356 101 HH12 ARG 54 2HH1 ARG 54 -5.196 1.765 13.806 102 HH21 ARG 54 1HH2 ARG 54 -8.405 0.718 13.002 103 HH22 ARG 54 2HH2 ARG 54 -7.405 1.515 14.173 104 H LEU 55 H LEU 55 -5.906 -0.191 5.652 105 HA LEU 55 HA LEU 55 -8.074 -2.193 5.308 106 HB2 LEU 55 2HB LEU 55 -6.084 -1.260 3.213 107 HB3 LEU 55 1HB LEU 55 -7.199 -2.602 3.008 108 HG LEU 55 HG LEU 55 -8.037 0.277 3.427 109 HD11 LEU 55 1HD1 LEU 55 -8.632 0.297 1.036 110 HD12 LEU 55 2HD1 LEU 55 -7.966 -1.328 0.847 111 HD13 LEU 55 3HD1 LEU 55 -6.904 0.025 1.256 112 HD21 LEU 55 3HD2 LEU 55 -10.276 -0.500 2.765 113 HD22 LEU 55 1HD2 LEU 55 -9.718 -1.307 4.232 114 HD23 LEU 55 2HD2 LEU 55 -9.681 -2.159 2.684 115 H PHE 56 H PHE 56 -7.263 -4.250 4.581 116 HA PHE 56 HA PHE 56 -4.630 -5.082 5.610 117 HB2 PHE 56 2HB PHE 56 -7.250 -6.480 6.366 118 HB3 PHE 56 1HB PHE 56 -5.634 -6.937 6.892 119 HD1 PHE 56 HD1 PHE 56 -4.400 -5.463 8.528 120 HD2 PHE 56 HD2 PHE 56 -8.502 -4.786 7.531 121 HE1 PHE 56 HE1 PHE 56 -4.662 -4.060 10.530 122 HE2 PHE 56 HE2 PHE 56 -8.752 -3.386 9.542 123 HZ PHE 56 HZ PHE 56 -6.832 -3.021 11.039 124 H GLY 57 H GLY 57 -3.740 -6.630 4.282 125 HA2 GLY 57 2HA GLY 57 -4.966 -8.591 2.762 126 HA3 GLY 57 1HA GLY 57 -4.943 -7.154 1.738 127 H THR 58 H THR 58 -3.550 -8.422 0.343 128 HA THR 58 HA THR 58 -0.726 -8.518 1.254 129 HB THR 58 HB THR 58 -1.931 -10.467 -0.766 130 HG1 THR 58 HG1 THR 58 -3.016 -10.940 1.100 131 HG21 THR 58 3HG2 THR 58 0.025 -11.854 -0.180 132 HG22 THR 58 1HG2 THR 58 0.571 -10.624 0.962 133 HG23 THR 58 2HG2 THR 58 0.548 -10.273 -0.768 134 H VAL 59 H VAL 59 0.802 -7.877 -0.275 135 HA VAL 59 HA VAL 59 -0.008 -5.958 -2.255 136 HB VAL 59 HB VAL 59 2.749 -7.064 -1.560 137 HG11 VAL 59 1HG1 VAL 59 2.078 -4.619 -3.245 138 HG12 VAL 59 2HG1 VAL 59 2.793 -6.120 -3.835 139 HG13 VAL 59 3HG1 VAL 59 3.698 -5.094 -2.721 140 HG21 VAL 59 3HG2 VAL 59 1.423 -4.470 -0.702 141 HG22 VAL 59 1HG2 VAL 59 3.060 -4.983 -0.281 142 HG23 VAL 59 2HG2 VAL 59 1.669 -5.886 0.323 143 H ALA 60 H ALA 60 -0.385 -6.350 -4.358 144 HA ALA 60 HA ALA 60 -0.002 -8.903 -5.598 145 HB1 ALA 60 3HB ALA 60 -1.905 -7.461 -6.217 146 HB2 ALA 60 1HB ALA 60 -0.901 -7.810 -7.628 147 HB3 ALA 60 2HB ALA 60 -0.798 -6.232 -6.835 148 H ALA 61 H ALA 61 1.544 -9.530 -6.988 149 HA ALA 61 HA ALA 61 4.025 -8.088 -7.199 150 HB1 ALA 61 3HB ALA 61 3.162 -10.674 -8.520 151 HB2 ALA 61 1HB ALA 61 3.953 -10.536 -6.949 152 HB3 ALA 61 2HB ALA 61 4.815 -10.063 -8.416 153 H ASP 62 H ASP 62 1.150 -7.905 -8.944 154 HA ASP 62 HA ASP 62 2.514 -6.712 -11.293 155 HB2 ASP 62 2HB ASP 62 1.103 -8.631 -11.936 156 HB3 ASP 62 1HB ASP 62 -0.282 -7.914 -11.113 157 H GLY 63 H GLY 63 2.425 -4.598 -11.394 158 HA2 GLY 63 2HA GLY 63 1.202 -2.523 -11.555 159 HA3 GLY 63 1HA GLY 63 0.139 -3.075 -10.274 160 H LEU 64 H LEU 64 3.182 -3.930 -9.342 161 HA LEU 64 HA LEU 64 3.360 -1.863 -7.354 162 HB2 LEU 64 2HB LEU 64 3.923 -4.386 -7.110 163 HB3 LEU 64 1HB LEU 64 5.454 -3.995 -7.873 164 HG LEU 64 HG LEU 64 4.495 -2.691 -5.277 165 HD11 LEU 64 1HD1 LEU 64 5.958 -4.218 -4.058 166 HD12 LEU 64 2HD1 LEU 64 6.373 -5.055 -5.558 167 HD13 LEU 64 3HD1 LEU 64 4.720 -5.110 -4.942 168 HD21 LEU 64 3HD2 LEU 64 7.284 -2.803 -6.493 169 HD22 LEU 64 1HD2 LEU 64 6.855 -2.073 -4.941 170 HD23 LEU 64 2HD2 LEU 64 6.233 -1.387 -6.439 171 H THR 65 H THR 65 3.825 0.047 -8.277 172 HA THR 65 HA THR 65 6.329 0.404 -9.823 173 HB THR 65 HB THR 65 3.755 2.048 -10.001 174 HG1 THR 65 HG1 THR 65 4.952 0.196 -11.821 175 HG21 THR 65 3HG2 THR 65 4.843 3.173 -11.921 176 HG22 THR 65 1HG2 THR 65 6.320 2.253 -11.640 177 HG23 THR 65 2HG2 THR 65 5.773 3.432 -10.444 178 H MET 66 H MET 66 7.832 1.562 -8.770 179 HA MET 66 HA MET 66 7.215 2.961 -6.259 180 HB2 MET 66 2HB MET 66 9.839 2.303 -7.671 181 HB3 MET 66 1HB MET 66 9.753 3.239 -6.178 182 HG2 MET 66 2HG MET 66 8.698 0.421 -6.444 183 HG3 MET 66 1HG MET 66 10.334 0.811 -5.906 184 HE1 MET 66 3HE MET 66 8.613 -0.280 -2.560 185 HE2 MET 66 1HE MET 66 9.984 -0.536 -3.635 186 HE3 MET 66 2HE MET 66 8.358 -0.979 -4.155 187 H LEU 67 H LEU 67 7.291 5.195 -6.068 188 HA LEU 67 HA LEU 67 6.706 6.742 -8.336 189 HB2 LEU 67 2HB LEU 67 7.514 7.655 -5.545 190 HB3 LEU 67 1HB LEU 67 6.903 8.731 -6.795 191 HG LEU 67 HG LEU 67 5.364 6.486 -5.413 192 HD11 LEU 67 1HD1 LEU 67 5.587 8.499 -4.042 193 HD12 LEU 67 2HD1 LEU 67 3.919 8.293 -4.568 194 HD13 LEU 67 3HD1 LEU 67 4.947 9.497 -5.353 195 HD21 LEU 67 3HD2 LEU 67 3.398 7.181 -6.749 196 HD22 LEU 67 1HD2 LEU 67 4.687 6.529 -7.759 197 HD23 LEU 67 2HD2 LEU 67 4.420 8.271 -7.688 198 H ASP 68 H ASP 68 7.887 7.917 -9.710 199 HA ASP 68 HA ASP 68 10.699 7.394 -9.902 200 HB2 ASP 68 2HB ASP 68 10.546 8.741 -12.035 201 HB3 ASP 68 1HB ASP 68 9.399 7.410 -11.952 202 H GLY 69 H GLY 69 12.247 8.496 -8.907 203 HA2 GLY 69 2HA GLY 69 13.468 10.146 -7.896 204 HA3 GLY 69 1HA GLY 69 12.597 11.292 -8.902 205 H ALA 70 H ALA 70 11.149 9.143 -6.508 206 HA ALA 70 HA ALA 70 10.755 11.206 -4.512 207 HB1 ALA 70 3HB ALA 70 8.985 11.786 -6.137 208 HB2 ALA 70 1HB ALA 70 8.281 11.181 -4.637 209 HB3 ALA 70 2HB ALA 70 8.357 10.140 -6.062 210 HA PRO 71 HA PRO 71 10.501 7.346 -2.056 211 HB2 PRO 71 2HB PRO 71 9.705 8.506 0.329 212 HB3 PRO 71 1HB PRO 71 11.383 8.474 -0.225 213 HG2 PRO 71 2HG PRO 71 9.353 10.690 -0.442 214 HG3 PRO 71 1HG PRO 71 11.067 10.787 0.030 215 HD2 PRO 71 2HD PRO 71 10.254 11.441 -2.468 216 HD3 PRO 71 1HD PRO 71 11.818 10.643 -2.187 217 H GLY 72 H GLY 72 8.799 6.182 -2.782 218 HA2 GLY 72 2HA GLY 72 6.394 6.003 -1.458 219 HA3 GLY 72 1HA GLY 72 6.074 7.071 -2.823 220 H VAL 73 H VAL 73 4.659 4.857 -2.775 221 HA VAL 73 HA VAL 73 5.579 3.343 -5.053 222 HB VAL 73 HB VAL 73 6.484 2.061 -3.091 223 HG11 VAL 73 1HG1 VAL 73 4.984 0.848 -1.552 224 HG12 VAL 73 2HG1 VAL 73 3.581 1.620 -2.296 225 HG13 VAL 73 3HG1 VAL 73 4.752 2.595 -1.411 226 HG21 VAL 73 3HG2 VAL 73 5.653 -0.164 -3.787 227 HG22 VAL 73 1HG2 VAL 73 5.959 0.873 -5.180 228 HG23 VAL 73 2HG2 VAL 73 4.304 0.598 -4.631 229 H ARG 74 H ARG 74 3.914 2.311 -6.110 230 HA ARG 74 HA ARG 74 1.145 2.553 -5.148 231 HB2 ARG 74 2HB ARG 74 1.549 4.072 -7.099 232 HB3 ARG 74 1HB ARG 74 2.146 2.703 -8.034 233 HG2 ARG 74 2HG ARG 74 -0.205 1.655 -7.615 234 HG3 ARG 74 1HG ARG 74 -0.691 3.281 -7.128 235 HD2 ARG 74 2HD ARG 74 -1.235 2.861 -9.483 236 HD3 ARG 74 1HD ARG 74 -0.024 4.141 -9.339 237 HE ARG 74 HE ARG 74 1.282 1.665 -9.662 238 HH11 ARG 74 1HH1 ARG 74 -0.604 3.940 -11.572 239 HH12 ARG 74 2HH1 ARG 74 0.116 3.428 -13.068 240 HH21 ARG 74 1HH2 ARG 74 2.212 1.044 -11.622 241 HH22 ARG 74 2HH2 ARG 74 1.722 1.826 -13.091 242 H PHE 75 H PHE 75 -0.007 0.630 -5.331 243 HA PHE 75 HA PHE 75 0.879 -1.589 -6.961 244 HB2 PHE 75 2HB PHE 75 1.172 -3.206 -5.106 245 HB3 PHE 75 1HB PHE 75 2.360 -1.916 -5.001 246 HD1 PHE 75 HD2 PHE 75 2.021 -0.070 -3.254 247 HD2 PHE 75 HD1 PHE 75 -0.322 -3.651 -3.265 248 HE1 PHE 75 HE2 PHE 75 1.386 0.330 -0.905 249 HE2 PHE 75 HE1 PHE 75 -0.953 -3.240 -0.925 250 HZ PHE 75 HZ PHE 75 -0.102 -1.258 0.260 251 H ARG 76 H ARG 76 -0.682 -3.529 -6.538 252 HA ARG 76 HA ARG 76 -3.365 -2.477 -5.883 253 HB2 ARG 76 2HB ARG 76 -2.545 -4.952 -7.457 254 HB3 ARG 76 1HB ARG 76 -4.203 -4.613 -6.962 255 HG2 ARG 76 2HG ARG 76 -3.949 -2.401 -8.234 256 HG3 ARG 76 1HG ARG 76 -2.482 -3.101 -8.927 257 HD2 ARG 76 2HD ARG 76 -5.328 -4.107 -9.202 258 HD3 ARG 76 1HD ARG 76 -4.297 -3.452 -10.473 259 HE ARG 76 HE ARG 76 -4.192 -6.121 -9.282 260 HH11 ARG 76 1HH1 ARG 76 -2.640 -3.882 -11.522 261 HH12 ARG 76 2HH1 ARG 76 -1.839 -5.144 -12.396 262 HH21 ARG 76 1HH2 ARG 76 -3.142 -7.729 -10.428 263 HH22 ARG 76 2HH2 ARG 76 -2.130 -7.318 -11.783 264 H LEU 77 H LEU 77 -3.826 -2.763 -3.769 265 HA LEU 77 HA LEU 77 -2.840 -4.980 -2.230 266 HB2 LEU 77 2HB LEU 77 -3.538 -2.788 -1.182 267 HB3 LEU 77 1HB LEU 77 -5.206 -3.179 -1.561 268 HG LEU 77 HG LEU 77 -4.830 -5.350 -0.166 269 HD11 LEU 77 1HD1 LEU 77 -2.386 -5.258 -0.048 270 HD12 LEU 77 2HD1 LEU 77 -3.090 -5.229 1.567 271 HD13 LEU 77 3HD1 LEU 77 -2.470 -3.738 0.856 272 HD21 LEU 77 3HD2 LEU 77 -6.264 -3.508 0.608 273 HD22 LEU 77 1HD2 LEU 77 -4.858 -2.697 1.300 274 HD23 LEU 77 2HD2 LEU 77 -5.389 -4.249 1.946 275 H GLU 78 H GLU 78 -3.465 -6.967 -2.823 276 HA GLU 78 HA GLU 78 -6.087 -7.702 -3.700 277 HB2 GLU 78 2HB GLU 78 -3.888 -9.423 -2.457 278 HB3 GLU 78 1HB GLU 78 -5.282 -10.008 -3.368 279 HG2 GLU 78 2HG GLU 78 -4.441 -8.916 -5.400 280 HG3 GLU 78 1HG GLU 78 -3.074 -8.255 -4.504 281 H ASP 79 H ASP 79 -7.791 -7.439 -2.385 282 HA ASP 79 HA ASP 79 -7.623 -6.940 0.392 283 HB2 ASP 79 2HB ASP 79 -9.994 -7.612 -1.395 284 HB3 ASP 79 1HB ASP 79 -10.165 -7.181 0.304 285 H LYS 80 H LYS 80 -8.259 -8.121 2.166 286 HA LYS 80 HA LYS 80 -7.526 -10.859 2.209 287 HB2 LYS 80 2HB LYS 80 -7.234 -9.258 4.103 288 HB3 LYS 80 1HB LYS 80 -8.975 -9.211 4.318 289 HG2 LYS 80 2HG LYS 80 -8.993 -11.589 4.938 290 HG3 LYS 80 1HG LYS 80 -7.249 -11.683 4.670 291 HD2 LYS 80 2HD LYS 80 -8.612 -9.916 6.754 292 HD3 LYS 80 1HD LYS 80 -7.851 -11.477 7.087 293 HE2 LYS 80 2HE LYS 80 -6.401 -9.029 5.993 294 HE3 LYS 80 1HE LYS 80 -6.405 -9.534 7.684 295 HZ1 LYS 80 3HZ LYS 80 -4.417 -10.260 6.532 296 HZ2 LYS 80 1HZ LYS 80 -5.345 -11.124 5.416 297 HZ3 LYS 80 2HZ LYS 80 -5.331 -11.593 7.037 298 H ASP 81 H ASP 81 -10.634 -9.189 2.221 299 HA ASP 81 HA ASP 81 -12.215 -11.639 2.366 300 HB2 ASP 81 2HB ASP 81 -13.050 -8.718 2.046 301 HB3 ASP 81 1HB ASP 81 -14.178 -10.063 2.193 302 H ASN 82 H ASN 82 -11.757 -8.933 0.053 303 HA ASN 82 HA ASN 82 -13.329 -10.227 -2.000 304 HB2 ASN 82 2HB ASN 82 -11.671 -7.678 -2.023 305 HB3 ASN 82 1HB ASN 82 -12.504 -8.271 -3.455 306 HD21 ASN 82 1HD2 ASN 82 -12.911 -5.776 -2.067 307 HD22 ASN 82 2HD2 ASN 82 -14.557 -5.758 -1.540 308 H THR 83 H THR 83 -12.583 -11.885 -3.139 309 HA THR 83 HA THR 83 -9.730 -12.280 -3.655 310 HB THR 83 HB THR 83 -11.133 -14.196 -2.909 311 HG1 THR 83 HG1 THR 83 -9.545 -15.125 -3.943 312 HG21 THR 83 3HG2 THR 83 -12.522 -13.950 -5.614 313 HG22 THR 83 1HG2 THR 83 -13.270 -13.683 -4.035 314 HG23 THR 83 2HG2 THR 83 -12.708 -15.293 -4.486 315 H SER 84 H SER 84 -12.561 -11.123 -5.279 316 HA SER 84 HA SER 84 -11.391 -11.370 -7.981 317 HB2 SER 84 2HB SER 84 -14.234 -10.606 -7.174 318 HB3 SER 84 1HB SER 84 -13.666 -10.947 -8.807 319 HG SER 84 HG SER 84 -13.040 -13.014 -7.218 320 H LYS 85 H LYS 85 -11.391 -9.118 -5.535 321 HA LYS 85 HA LYS 85 -11.327 -6.813 -7.407 322 HB2 LYS 85 2HB LYS 85 -12.471 -6.837 -4.586 323 HB3 LYS 85 1HB LYS 85 -12.252 -5.392 -5.554 324 HG2 LYS 85 2HG LYS 85 -13.991 -7.618 -6.608 325 HG3 LYS 85 1HG LYS 85 -14.614 -6.560 -5.351 326 HD2 LYS 85 2HD LYS 85 -15.369 -5.688 -7.461 327 HD3 LYS 85 1HD LYS 85 -14.139 -4.587 -6.844 328 HE2 LYS 85 2HE LYS 85 -12.481 -5.632 -8.368 329 HE3 LYS 85 1HE LYS 85 -13.747 -6.670 -9.026 330 HZ1 LYS 85 3HZ LYS 85 -13.710 -3.709 -9.121 331 HZ2 LYS 85 1HZ LYS 85 -14.901 -4.706 -9.791 332 HZ3 LYS 85 2HZ LYS 85 -13.325 -4.741 -10.402 333 H THR 86 H THR 86 -9.463 -5.765 -7.394 334 HA THR 86 HA THR 86 -7.776 -5.634 -4.949 335 HB THR 86 HB THR 86 -5.769 -5.447 -6.450 336 HG1 THR 86 HG1 THR 86 -7.632 -6.115 -8.501 337 HG21 THR 86 3HG2 THR 86 -7.341 -7.995 -6.945 338 HG22 THR 86 1HG2 THR 86 -6.327 -7.678 -5.536 339 HG23 THR 86 2HG2 THR 86 -5.600 -7.799 -7.140 340 H VAL 87 H VAL 87 -7.322 -3.569 -4.318 341 HA VAL 87 HA VAL 87 -8.198 -1.317 -6.041 342 HB VAL 87 HB VAL 87 -7.600 -1.347 -3.038 343 HG11 VAL 87 1HG1 VAL 87 -8.672 0.892 -2.957 344 HG12 VAL 87 2HG1 VAL 87 -8.836 0.879 -4.713 345 HG13 VAL 87 3HG1 VAL 87 -7.235 0.901 -3.979 346 HG21 VAL 87 3HG2 VAL 87 -10.290 -1.331 -4.452 347 HG22 VAL 87 1HG2 VAL 87 -10.052 -1.176 -2.711 348 HG23 VAL 87 2HG2 VAL 87 -9.609 -2.675 -3.532 349 H TRP 88 H TRP 88 -6.741 0.393 -6.527 350 HA TRP 88 HA TRP 88 -3.901 -0.165 -6.384 351 HB2 TRP 88 2HB TRP 88 -5.457 2.268 -7.379 352 HB3 TRP 88 1HB TRP 88 -3.701 2.134 -7.446 353 HD1 TRP 88 HD1 TRP 88 -6.804 1.170 -9.358 354 HE1 TRP 88 HE1 TRP 88 -6.133 -0.120 -11.477 355 HE3 TRP 88 HE3 TRP 88 -1.878 0.352 -8.281 356 HZ2 TRP 88 HZ2 TRP 88 -3.819 -1.342 -12.554 357 HZ3 TRP 88 HZ3 TRP 88 -0.500 -0.880 -9.899 358 HH2 TRP 88 HH2 TRP 88 -1.453 -1.729 -11.981 359 H VAL 89 H VAL 89 -2.447 0.975 -5.042 360 HA VAL 89 HA VAL 89 -3.605 2.578 -2.848 361 HB VAL 89 HB VAL 89 -1.434 0.455 -2.502 362 HG11 VAL 89 1HG1 VAL 89 -1.185 2.370 -0.959 363 HG12 VAL 89 2HG1 VAL 89 -1.680 0.926 -0.076 364 HG13 VAL 89 3HG1 VAL 89 -2.865 2.182 -0.440 365 HG21 VAL 89 3HG2 VAL 89 -3.609 -0.623 -2.916 366 HG22 VAL 89 1HG2 VAL 89 -4.356 0.350 -1.643 367 HG23 VAL 89 2HG2 VAL 89 -3.121 -0.846 -1.235 368 H LEU 90 H LEU 90 -2.817 4.524 -3.248 369 HA LEU 90 HA LEU 90 -0.097 4.911 -4.256 370 HB2 LEU 90 2HB LEU 90 -2.037 6.145 -5.264 371 HB3 LEU 90 1HB LEU 90 -2.307 6.935 -3.714 372 HG LEU 90 HG LEU 90 -0.148 8.095 -3.887 373 HD11 LEU 90 1HD1 LEU 90 1.256 7.938 -5.921 374 HD12 LEU 90 2HD1 LEU 90 0.233 6.633 -6.525 375 HD13 LEU 90 3HD1 LEU 90 1.186 6.401 -5.057 376 HD21 LEU 90 3HD2 LEU 90 -0.674 9.581 -5.771 377 HD22 LEU 90 1HD2 LEU 90 -2.138 9.153 -4.884 378 HD23 LEU 90 2HD2 LEU 90 -1.782 8.375 -6.429 379 H TYR 91 H TYR 91 1.103 4.367 -2.517 380 HA TYR 91 HA TYR 91 0.876 5.827 0.030 381 HB2 TYR 91 2HB TYR 91 1.419 3.464 0.298 382 HB3 TYR 91 1HB TYR 91 2.732 3.577 -0.872 383 HD1 TYR 91 HD1 TYR 91 1.717 5.316 2.331 384 HD2 TYR 91 HD2 TYR 91 4.901 3.552 0.089 385 HE1 TYR 91 HE1 TYR 91 3.279 5.796 4.161 386 HE2 TYR 91 HE2 TYR 91 6.459 4.029 1.930 387 HH TYR 91 HH TYR 91 6.687 5.494 3.836 388 H LYS 92 H LYS 92 1.752 7.848 -0.010 389 HA LYS 92 HA LYS 92 4.347 8.245 -1.377 390 HB2 LYS 92 2HB LYS 92 2.402 10.360 -0.361 391 HB3 LYS 92 1HB LYS 92 3.908 10.664 -1.233 392 HG2 LYS 92 2HG LYS 92 2.902 9.325 -3.163 393 HG3 LYS 92 1HG LYS 92 1.365 9.379 -2.288 394 HD2 LYS 92 2HD LYS 92 1.480 11.878 -2.342 395 HD3 LYS 92 1HD LYS 92 2.968 11.772 -3.289 396 HE2 LYS 92 2HE LYS 92 1.685 10.517 -5.042 397 HE3 LYS 92 1HE LYS 92 0.214 10.797 -4.108 398 HZ1 LYS 92 3HZ LYS 92 0.606 13.190 -4.355 399 HZ2 LYS 92 1HZ LYS 92 0.412 12.413 -5.839 400 HZ3 LYS 92 2HZ LYS 92 1.954 12.870 -5.322 401 H GLY 93 H GLY 93 6.000 8.020 -0.112 402 HA2 GLY 93 2HA GLY 93 6.829 9.275 2.127 403 HA3 GLY 93 1HA GLY 93 5.838 7.973 2.795 404 H ALA 94 H ALA 94 8.430 7.918 3.492 405 HA ALA 94 HA ALA 94 10.207 6.602 1.740 406 HB1 ALA 94 3HB ALA 94 10.176 6.636 4.780 407 HB2 ALA 94 1HB ALA 94 10.954 7.822 3.733 408 HB3 ALA 94 2HB ALA 94 11.549 6.161 3.771 409 H VAL 95 H VAL 95 9.926 4.612 0.917 410 HA VAL 95 HA VAL 95 8.082 2.705 2.085 411 HB VAL 95 HB VAL 95 9.828 2.357 -0.397 412 HG11 VAL 95 1HG1 VAL 95 7.316 0.868 0.484 413 HG12 VAL 95 2HG1 VAL 95 8.960 0.220 0.461 414 HG13 VAL 95 3HG1 VAL 95 8.156 0.640 -1.052 415 HG21 VAL 95 3HG2 VAL 95 6.974 3.389 -0.217 416 HG22 VAL 95 1HG2 VAL 95 7.852 3.047 -1.712 417 HG23 VAL 95 2HG2 VAL 95 8.397 4.342 -0.641 418 HA PRO 96 HA PRO 96 11.388 0.522 4.411 419 HB2 PRO 96 2HB PRO 96 9.797 -1.670 5.064 420 HB3 PRO 96 1HB PRO 96 9.824 -0.153 5.976 421 HG2 PRO 96 2HG PRO 96 7.891 -1.042 3.825 422 HG3 PRO 96 1HG PRO 96 7.546 -0.290 5.398 423 HD2 PRO 96 2HD PRO 96 7.516 1.187 3.181 424 HD3 PRO 96 1HD PRO 96 8.226 1.847 4.675 425 H ASP 97 H ASP 97 12.759 -1.198 3.901 426 HA ASP 97 HA ASP 97 12.704 -2.293 1.252 427 HB2 ASP 97 2HB ASP 97 14.828 -3.310 1.781 428 HB3 ASP 97 1HB ASP 97 14.823 -1.713 2.518 429 H THR 98 H THR 98 11.385 -3.254 4.234 430 HA THR 98 HA THR 98 11.210 -6.092 3.877 431 HB THR 98 HB THR 98 9.518 -5.937 5.728 432 HG1 THR 98 HG1 THR 98 8.479 -4.083 5.743 433 HG21 THR 98 3HG2 THR 98 11.016 -4.989 7.450 434 HG22 THR 98 1HG2 THR 98 11.995 -4.226 6.199 435 HG23 THR 98 2HG2 THR 98 11.929 -5.990 6.316 436 H PHE 99 H PHE 99 9.429 -3.343 2.775 437 HA PHE 99 HA PHE 99 7.096 -4.699 1.775 438 HB2 PHE 99 2HB PHE 99 7.038 -2.261 2.190 439 HB3 PHE 99 1HB PHE 99 8.287 -2.003 0.980 440 HD1 PHE 99 HD1 PHE 99 4.727 -2.820 1.513 441 HD2 PHE 99 HD2 PHE 99 7.751 -2.092 -1.416 442 HE1 PHE 99 HE1 PHE 99 3.005 -2.581 -0.224 443 HE2 PHE 99 HE2 PHE 99 6.023 -1.862 -3.134 444 HZ PHE 99 HZ PHE 99 3.655 -2.102 -2.546 445 H LYS 100 H LYS 100 6.786 -5.617 -0.202 446 HA LYS 100 HA LYS 100 8.522 -5.561 -2.432 447 HB2 LYS 100 2HB LYS 100 9.482 -7.886 -2.203 448 HB3 LYS 100 1HB LYS 100 10.116 -6.744 -1.024 449 HG2 LYS 100 2HG LYS 100 8.562 -7.678 0.685 450 HG3 LYS 100 1HG LYS 100 8.006 -8.864 -0.502 451 HD2 LYS 100 2HD LYS 100 10.224 -9.873 -0.610 452 HD3 LYS 100 1HD LYS 100 10.896 -8.599 0.415 453 HE2 LYS 100 2HE LYS 100 8.796 -10.610 1.286 454 HE3 LYS 100 1HE LYS 100 10.517 -10.704 1.662 455 HZ1 LYS 100 3HZ LYS 100 9.247 -9.763 3.489 456 HZ2 LYS 100 1HZ LYS 100 8.695 -8.511 2.498 457 HZ3 LYS 100 2HZ LYS 100 10.337 -8.627 2.877 458 HA PRO 101 HA PRO 101 4.928 -7.531 -4.281 459 HB2 PRO 101 2HB PRO 101 6.023 -9.296 -6.130 460 HB3 PRO 101 1HB PRO 101 5.903 -7.548 -6.377 461 HG2 PRO 101 2HG PRO 101 8.252 -9.175 -5.405 462 HG3 PRO 101 1HG PRO 101 8.218 -7.877 -6.621 463 HD2 PRO 101 2HD PRO 101 9.036 -7.377 -4.117 464 HD3 PRO 101 1HD PRO 101 8.058 -6.181 -5.001 465 H GLY 102 H GLY 102 3.900 -8.699 -2.720 466 HA2 GLY 102 2HA GLY 102 3.006 -10.984 -2.479 467 HA3 GLY 102 1HA GLY 102 4.661 -11.554 -2.351 468 H VAL 103 H VAL 103 4.908 -8.819 -0.638 469 HA VAL 103 HA VAL 103 4.627 -10.135 1.921 470 HB VAL 103 HB VAL 103 6.400 -8.354 1.361 471 HG11 VAL 103 1HG1 VAL 103 4.940 -6.661 0.308 472 HG12 VAL 103 2HG1 VAL 103 5.836 -5.977 1.666 473 HG13 VAL 103 3HG1 VAL 103 4.133 -6.392 1.854 474 HG21 VAL 103 3HG2 VAL 103 6.473 -7.409 3.644 475 HG22 VAL 103 1HG2 VAL 103 6.051 -9.128 3.673 476 HG23 VAL 103 2HG2 VAL 103 4.798 -7.909 3.911 477 H GLU 104 H GLU 104 3.037 -9.745 3.526 478 HA GLU 104 HA GLU 104 0.529 -8.507 2.696 479 HB2 GLU 104 2HB GLU 104 1.362 -9.876 5.294 480 HB3 GLU 104 1HB GLU 104 -0.256 -9.246 4.977 481 HG2 GLU 104 2HG GLU 104 -0.514 -10.815 3.101 482 HG3 GLU 104 1HG GLU 104 1.112 -11.443 3.387 483 H VAL 105 H VAL 105 -0.251 -6.567 3.487 484 HA VAL 105 HA VAL 105 1.415 -5.013 5.367 485 HB VAL 105 HB VAL 105 1.173 -2.949 3.983 486 HG11 VAL 105 1HG1 VAL 105 2.635 -5.180 2.521 487 HG12 VAL 105 2HG1 VAL 105 3.284 -4.226 3.858 488 HG13 VAL 105 3HG1 VAL 105 2.919 -3.450 2.315 489 HG21 VAL 105 3HG2 VAL 105 0.118 -4.787 1.784 490 HG22 VAL 105 1HG2 VAL 105 0.524 -3.078 1.590 491 HG23 VAL 105 2HG2 VAL 105 -0.808 -3.554 2.642 492 H ILE 106 H ILE 106 0.393 -3.377 6.411 493 HA ILE 106 HA ILE 106 -2.544 -3.153 6.330 494 HB ILE 106 HB ILE 106 -0.633 -2.536 8.649 495 HG12 ILE 106 2HG1 ILE 106 -2.638 -4.823 8.363 496 HG13 ILE 106 1HG1 ILE 106 -0.889 -4.988 8.275 497 HG21 ILE 106 1HG2 ILE 106 -2.685 -2.160 9.997 498 HG22 ILE 106 2HG2 ILE 106 -3.677 -2.398 8.557 499 HG23 ILE 106 3HG2 ILE 106 -2.575 -1.021 8.651 500 HD11 ILE 106 3HD1 ILE 106 -1.719 -5.727 10.417 501 HD12 ILE 106 1HD1 ILE 106 -2.489 -4.166 10.696 502 HD13 ILE 106 2HD1 ILE 106 -0.727 -4.282 10.629 503 H ILE 107 H ILE 107 -2.955 -1.402 5.130 504 HA ILE 107 HA ILE 107 -1.101 0.906 5.070 505 HB ILE 107 HB ILE 107 -2.405 1.576 2.996 506 HG12 ILE 107 2HG1 ILE 107 -3.698 -1.174 3.354 507 HG13 ILE 107 1HG1 ILE 107 -4.526 0.374 3.470 508 HG21 ILE 107 1HG2 ILE 107 -1.089 -1.165 2.889 509 HG22 ILE 107 2HG2 ILE 107 -0.253 0.386 2.815 510 HG23 ILE 107 3HG2 ILE 107 -1.340 -0.088 1.511 511 HD11 ILE 107 3HD1 ILE 107 -5.020 -0.705 1.394 512 HD12 ILE 107 1HD1 ILE 107 -3.309 -0.831 0.996 513 HD13 ILE 107 2HD1 ILE 107 -4.081 0.754 1.085 514 H GLU 108 H GLU 108 -1.715 2.866 5.840 515 HA GLU 108 HA GLU 108 -4.500 3.290 6.750 516 HB2 GLU 108 2HB GLU 108 -1.996 4.144 8.275 517 HB3 GLU 108 1HB GLU 108 -3.668 4.348 8.795 518 HG2 GLU 108 2HG GLU 108 -3.913 1.913 8.995 519 HG3 GLU 108 1HG GLU 108 -2.263 1.679 8.423 520 H GLY 109 H GLY 109 -5.305 5.232 6.147 521 HA2 GLY 109 2HA GLY 109 -4.083 7.659 5.708 522 HA3 GLY 109 1HA GLY 109 -3.971 6.803 4.170 523 H GLY 110 H GLY 110 -5.719 7.002 2.800 524 HA2 GLY 110 2HA GLY 110 -8.390 6.652 3.708 525 HA3 GLY 110 1HA GLY 110 -8.072 8.352 3.389 526 H LEU 111 H LEU 111 -9.756 6.167 2.072 527 HA LEU 111 HA LEU 111 -8.865 6.390 -0.721 528 HB2 LEU 111 2HB LEU 111 -9.797 4.218 -0.001 529 HB3 LEU 111 1HB LEU 111 -11.277 5.004 0.523 530 HG LEU 111 HG LEU 111 -11.648 5.700 -1.924 531 HD11 LEU 111 1HD1 LEU 111 -9.449 3.680 -2.465 532 HD12 LEU 111 2HD1 LEU 111 -9.358 5.422 -2.739 533 HD13 LEU 111 3HD1 LEU 111 -10.485 4.447 -3.676 534 HD21 LEU 111 3HD2 LEU 111 -12.922 3.870 -0.915 535 HD22 LEU 111 1HD2 LEU 111 -11.643 2.727 -1.333 536 HD23 LEU 111 2HD2 LEU 111 -12.563 3.532 -2.606 537 H ALA 112 H ALA 112 -9.616 7.989 -2.007 538 HA ALA 112 HA ALA 112 -11.530 9.932 -0.988 539 HB1 ALA 112 3HB ALA 112 -10.955 11.231 -3.004 540 HB2 ALA 112 1HB ALA 112 -9.990 9.882 -3.607 541 HB3 ALA 112 2HB ALA 112 -9.507 10.723 -2.137 542 HA PRO 113 HA PRO 113 -15.102 8.003 -2.957 543 HB2 PRO 113 2HB PRO 113 -16.773 10.203 -3.186 544 HB3 PRO 113 1HB PRO 113 -16.484 9.344 -1.668 545 HG2 PRO 113 2HG PRO 113 -15.184 11.869 -2.697 546 HG3 PRO 113 1HG PRO 113 -15.836 11.529 -1.076 547 HD2 PRO 113 2HD PRO 113 -13.191 11.390 -1.554 548 HD3 PRO 113 1HD PRO 113 -13.977 10.221 -0.467 549 H GLY 114 H GLY 114 -13.369 10.589 -4.498 550 HA2 GLY 114 2HA GLY 114 -14.605 10.017 -7.136 551 HA3 GLY 114 1HA GLY 114 -13.792 11.508 -6.691 552 H GLU 115 H GLU 115 -11.738 9.448 -5.329 553 HA GLU 115 HA GLU 115 -10.175 8.979 -7.821 554 HB2 GLU 115 2HB GLU 115 -9.320 10.780 -6.172 555 HB3 GLU 115 1HB GLU 115 -8.969 9.462 -5.066 556 HG2 GLU 115 2HG GLU 115 -7.406 8.487 -6.651 557 HG3 GLU 115 1HG GLU 115 -7.825 9.696 -7.862 558 H ASP 116 H ASP 116 -9.735 6.880 -8.221 559 HA ASP 116 HA ASP 116 -11.040 4.880 -6.646 560 HB2 ASP 116 2HB ASP 116 -10.493 3.326 -8.411 561 HB3 ASP 116 1HB ASP 116 -10.908 4.858 -9.168 562 H THR 117 H THR 117 -7.810 6.055 -6.636 563 HA THR 117 HA THR 117 -6.661 3.599 -5.530 564 HB THR 117 HB THR 117 -5.267 4.812 -7.148 565 HG1 THR 117 HG1 THR 117 -4.510 3.967 -4.781 566 HG21 THR 117 3HG2 THR 117 -5.987 7.136 -6.717 567 HG22 THR 117 1HG2 THR 117 -4.229 6.977 -6.635 568 HG23 THR 117 2HG2 THR 117 -5.176 7.092 -5.153 569 H PHE 118 H PHE 118 -6.238 3.283 -3.404 570 HA PHE 118 HA PHE 118 -7.215 5.032 -1.358 571 HB2 PHE 118 2HB PHE 118 -7.343 2.570 -1.088 572 HB3 PHE 118 1HB PHE 118 -5.594 2.432 -1.233 573 HD1 PHE 118 HD1 PHE 118 -4.126 3.129 0.658 574 HD2 PHE 118 HD2 PHE 118 -8.381 3.312 0.995 575 HE1 PHE 118 HE1 PHE 118 -3.929 3.359 3.097 576 HE2 PHE 118 HE2 PHE 118 -8.157 3.538 3.426 577 HZ PHE 118 HZ PHE 118 -5.943 3.567 4.480 578 H LYS 119 H LYS 119 -6.032 6.762 -0.749 579 HA LYS 119 HA LYS 119 -3.190 6.945 -1.396 580 HB2 LYS 119 2HB LYS 119 -4.862 8.795 -1.855 581 HB3 LYS 119 1HB LYS 119 -4.980 9.048 -0.122 582 HG2 LYS 119 2HG LYS 119 -2.790 9.902 0.043 583 HG3 LYS 119 1HG LYS 119 -2.293 9.203 -1.502 584 HD2 LYS 119 2HD LYS 119 -4.275 11.502 -1.155 585 HD3 LYS 119 1HD LYS 119 -2.586 11.676 -1.648 586 HE2 LYS 119 2HE LYS 119 -3.002 10.470 -3.704 587 HE3 LYS 119 1HE LYS 119 -4.629 10.036 -3.193 588 HZ1 LYS 119 3HZ LYS 119 -5.166 12.436 -3.226 589 HZ2 LYS 119 1HZ LYS 119 -4.771 11.790 -4.743 590 HZ3 LYS 119 2HZ LYS 119 -3.648 12.735 -3.906 591 H ALA 120 H ALA 120 -2.128 5.629 0.018 592 HA ALA 120 HA ALA 120 -2.724 5.510 2.842 593 HB1 ALA 120 3HB ALA 120 -0.450 4.238 1.260 594 HB2 ALA 120 1HB ALA 120 -2.007 3.488 1.620 595 HB3 ALA 120 2HB ALA 120 -0.888 3.866 2.930 596 H ARG 121 H ARG 121 -1.910 6.864 4.289 597 HA ARG 121 HA ARG 121 0.175 8.772 3.691 598 HB2 ARG 121 2HB ARG 121 -1.899 9.233 5.133 599 HB3 ARG 121 1HB ARG 121 -1.138 8.270 6.391 600 HG2 ARG 121 2HG ARG 121 -0.697 10.591 6.864 601 HG3 ARG 121 1HG ARG 121 0.824 9.863 6.337 602 HD2 ARG 121 2HD ARG 121 0.454 12.093 5.301 603 HD3 ARG 121 1HD ARG 121 0.524 10.808 4.083 604 HE ARG 121 HE ARG 121 -2.123 11.552 5.074 605 HH11 ARG 121 1HH1 ARG 121 0.206 11.892 2.468 606 HH12 ARG 121 2HH1 ARG 121 -0.983 12.457 1.339 607 HH21 ARG 121 1HH2 ARG 121 -3.649 12.282 3.573 608 HH22 ARG 121 2HH2 ARG 121 -3.150 12.666 1.957 609 H THR 122 H THR 122 -0.254 5.845 5.605 610 HA THR 122 HA THR 122 2.618 5.705 6.262 611 HB THR 122 HB THR 122 2.007 4.818 8.539 612 HG1 THR 122 HG1 THR 122 -0.041 4.213 8.647 613 HG21 THR 122 3HG2 THR 122 1.383 6.967 9.602 614 HG22 THR 122 1HG2 THR 122 0.918 7.617 8.026 615 HG23 THR 122 2HG2 THR 122 2.607 7.217 8.353 616 H LEU 123 H LEU 123 3.441 3.704 6.004 617 HA LEU 123 HA LEU 123 1.681 1.465 5.166 618 HB2 LEU 123 2HB LEU 123 3.173 2.381 3.397 619 HB3 LEU 123 1HB LEU 123 4.564 2.128 4.429 620 HG LEU 123 HG LEU 123 4.212 -0.347 4.282 621 HD11 LEU 123 1HD1 LEU 123 2.656 -1.265 2.611 622 HD12 LEU 123 2HD1 LEU 123 2.018 0.352 2.300 623 HD13 LEU 123 3HD1 LEU 123 1.798 -0.399 3.883 624 HD21 LEU 123 3HD2 LEU 123 5.760 0.832 2.737 625 HD22 LEU 123 1HD2 LEU 123 4.447 1.017 1.570 626 HD23 LEU 123 2HD2 LEU 123 5.036 -0.590 1.999 627 H MET 124 H MET 124 1.835 -0.403 6.376 628 HA MET 124 HA MET 124 4.166 -0.805 8.150 629 HB2 MET 124 2HB MET 124 2.395 0.172 9.551 630 HB3 MET 124 1HB MET 124 1.243 -1.032 8.995 631 HG2 MET 124 2HG MET 124 2.434 -2.794 10.158 632 HG3 MET 124 1HG MET 124 3.745 -1.690 10.574 633 HE1 MET 124 3HE MET 124 -0.139 -2.396 11.110 634 HE2 MET 124 1HE MET 124 -0.099 -0.681 10.699 635 HE3 MET 124 2HE MET 124 -0.518 -1.186 12.333 636 H THR 125 H THR 125 5.063 -2.507 7.151 637 HA THR 125 HA THR 125 3.622 -4.644 5.897 638 HB THR 125 HB THR 125 5.878 -5.702 5.662 639 HG1 THR 125 HG1 THR 125 6.826 -5.026 7.630 640 HG21 THR 125 3HG2 THR 125 5.229 -4.005 3.982 641 HG22 THR 125 1HG2 THR 125 6.965 -3.938 4.293 642 HG23 THR 125 2HG2 THR 125 5.894 -2.727 5.000 643 H LYS 126 H LYS 126 3.218 -6.702 6.672 644 HA LYS 126 HA LYS 126 2.868 -7.083 9.470 645 HB2 LYS 126 2HB LYS 126 2.551 -8.896 7.051 646 HB3 LYS 126 1HB LYS 126 2.253 -9.477 8.685 647 HG2 LYS 126 2HG LYS 126 0.800 -7.133 7.400 648 HG3 LYS 126 1HG LYS 126 0.179 -8.791 7.461 649 HD2 LYS 126 2HD LYS 126 0.822 -7.042 9.886 650 HD3 LYS 126 1HD LYS 126 -0.796 -7.353 9.247 651 HE2 LYS 126 2HE LYS 126 -0.567 -9.744 9.786 652 HE3 LYS 126 1HE LYS 126 1.082 -9.485 10.356 653 HZ1 LYS 126 3HZ LYS 126 -0.571 -9.615 12.136 654 HZ2 LYS 126 1HZ LYS 126 -1.317 -8.224 11.539 655 HZ3 LYS 126 2HZ LYS 126 0.263 -8.148 12.131 656 H CYS 127 H CYS 127 5.069 -8.573 7.082 657 HA CYS 127 HA CYS 127 6.592 -9.980 9.072 658 HB2 CYS 127 2HB CYS 127 6.434 -10.778 6.726 659 HB3 CYS 127 1HB CYS 127 7.327 -9.359 6.186 660 HG CYS 127 HG CYS 127 8.439 -12.171 7.652 661 HA PRO 128 HA PRO 128 9.144 -6.368 10.167 662 HB2 PRO 128 2HB PRO 128 10.860 -7.562 11.890 663 HB3 PRO 128 1HB PRO 128 9.148 -7.348 12.304 664 HG2 PRO 128 2HG PRO 128 10.537 -9.797 11.194 665 HG3 PRO 128 1HG PRO 128 9.429 -9.682 12.580 666 HD2 PRO 128 2HD PRO 128 8.583 -10.465 10.109 667 HD3 PRO 128 1HD PRO 128 7.532 -9.557 11.219 668 H LEU 129 H LEU 129 11.823 -6.281 10.557 669 HA LEU 129 HA LEU 129 13.014 -6.569 7.993 670 HB2 LEU 129 2HB LEU 129 13.680 -4.891 9.765 671 HB3 LEU 129 1HB LEU 129 14.428 -6.195 10.669 672 HG LEU 129 HG LEU 129 16.026 -6.576 8.789 673 HD11 LEU 129 1HD1 LEU 129 16.184 -4.947 6.946 674 HD12 LEU 129 2HD1 LEU 129 14.723 -4.144 7.523 675 HD13 LEU 129 3HD1 LEU 129 14.640 -5.802 6.921 676 HD21 LEU 129 3HD2 LEU 129 17.391 -4.546 9.115 677 HD22 LEU 129 1HD2 LEU 129 16.688 -5.085 10.641 678 HD23 LEU 129 2HD2 LEU 129 15.996 -3.700 9.791 679 H GLU 130 H GLU 130 13.140 -8.571 7.181 680 HA GLU 130 HA GLU 130 13.975 -10.855 8.862 681 HB2 GLU 130 2HB GLU 130 11.721 -10.979 7.813 682 HB3 GLU 130 1HB GLU 130 12.446 -10.801 6.223 683 HG2 GLU 130 2HG GLU 130 13.623 -12.958 6.512 684 HG3 GLU 130 1HG GLU 130 12.899 -13.131 8.113 Start of MODEL 8 1 H1 MET 43 1H MET 43 -20.879 15.792 27.752 2 H2 MET 43 2H MET 43 -21.487 14.387 28.469 3 H3 MET 43 3H MET 43 -22.460 15.766 28.352 4 HA MET 43 HA MET 43 -23.044 14.058 26.737 5 HB2 MET 43 2HB MET 43 -23.190 15.530 24.799 6 HB3 MET 43 1HB MET 43 -23.476 16.471 26.254 7 HG2 MET 43 2HG MET 43 -21.274 17.451 26.131 8 HG3 MET 43 1HG MET 43 -20.819 16.388 24.796 9 HE1 MET 43 3HE MET 43 -23.094 17.723 21.874 10 HE2 MET 43 1HE MET 43 -23.496 16.410 22.976 11 HE3 MET 43 2HE MET 43 -21.856 16.552 22.340 12 H ALA 44 H ALA 44 -22.415 13.402 24.416 13 HA ALA 44 HA ALA 44 -19.847 12.116 24.356 14 HB1 ALA 44 3HB ALA 44 -21.819 11.077 23.297 15 HB2 ALA 44 1HB ALA 44 -20.539 11.334 22.114 16 HB3 ALA 44 2HB ALA 44 -21.931 12.417 22.155 17 H THR 45 H THR 45 -18.076 13.348 24.124 18 HA THR 45 HA THR 45 -18.007 15.559 22.151 19 HB THR 45 HB THR 45 -17.733 16.528 24.320 20 HG1 THR 45 HG1 THR 45 -15.703 17.452 24.133 21 HG21 THR 45 3HG2 THR 45 -16.052 15.833 25.985 22 HG22 THR 45 1HG2 THR 45 -15.583 14.480 24.961 23 HG23 THR 45 2HG2 THR 45 -17.207 14.532 25.662 24 HA PRO 46 HA PRO 46 -15.033 12.390 20.556 25 HB2 PRO 46 2HB PRO 46 -15.946 12.133 18.051 26 HB3 PRO 46 1HB PRO 46 -16.866 11.463 19.410 27 HG2 PRO 46 2HG PRO 46 -17.339 14.010 17.874 28 HG3 PRO 46 1HG PRO 46 -18.523 12.819 18.449 29 HD2 PRO 46 2HD PRO 46 -17.858 15.216 19.768 30 HD3 PRO 46 1HD PRO 46 -18.678 13.828 20.514 31 H GLN 47 H GLN 47 -13.221 12.591 19.196 32 HA GLN 47 HA GLN 47 -12.489 15.295 18.335 33 HB2 GLN 47 2HB GLN 47 -10.855 12.719 18.533 34 HB3 GLN 47 1HB GLN 47 -10.207 14.267 17.984 35 HG2 GLN 47 2HG GLN 47 -10.680 15.266 20.179 36 HG3 GLN 47 1HG GLN 47 -11.386 13.750 20.737 37 HE21 GLN 47 1HE2 GLN 47 -10.022 12.012 21.206 38 HE22 GLN 47 2HE2 GLN 47 -8.319 12.203 21.414 39 H ASP 48 H ASP 48 -12.917 15.898 16.316 40 HA ASP 48 HA ASP 48 -13.716 14.150 14.193 41 HB2 ASP 48 2HB ASP 48 -12.920 17.094 14.072 42 HB3 ASP 48 1HB ASP 48 -13.714 16.207 12.777 43 H LYS 49 H LYS 49 -10.690 14.832 15.390 44 HA LYS 49 HA LYS 49 -8.919 14.795 13.237 45 HB2 LYS 49 2HB LYS 49 -8.600 13.366 15.917 46 HB3 LYS 49 1HB LYS 49 -7.295 13.857 14.837 47 HG2 LYS 49 2HG LYS 49 -7.762 16.209 15.275 48 HG3 LYS 49 1HG LYS 49 -9.176 15.780 16.246 49 HD2 LYS 49 2HD LYS 49 -7.675 14.585 17.849 50 HD3 LYS 49 1HD LYS 49 -6.280 15.100 16.898 51 HE2 LYS 49 2HE LYS 49 -6.829 17.458 17.368 52 HE3 LYS 49 1HE LYS 49 -8.235 16.949 18.308 53 HZ1 LYS 49 3HZ LYS 49 -5.404 16.315 18.927 54 HZ2 LYS 49 1HZ LYS 49 -6.738 15.799 19.826 55 HZ3 LYS 49 2HZ LYS 49 -6.368 17.449 19.731 56 H LEU 50 H LEU 50 -10.631 12.129 14.851 57 HA LEU 50 HA LEU 50 -9.152 10.014 13.551 58 HB2 LEU 50 2HB LEU 50 -11.646 9.902 15.275 59 HB3 LEU 50 1HB LEU 50 -10.688 8.512 14.784 60 HG LEU 50 HG LEU 50 -9.762 10.748 16.640 61 HD11 LEU 50 1HD1 LEU 50 -10.457 7.855 17.260 62 HD12 LEU 50 2HD1 LEU 50 -11.404 9.278 17.701 63 HD13 LEU 50 3HD1 LEU 50 -9.807 9.037 18.401 64 HD21 LEU 50 3HD2 LEU 50 -7.882 9.917 15.321 65 HD22 LEU 50 1HD2 LEU 50 -8.277 8.249 15.749 66 HD23 LEU 50 2HD2 LEU 50 -7.735 9.381 16.992 67 H HIS 51 H HIS 51 -9.653 10.769 11.356 68 HA HIS 51 HA HIS 51 -11.952 9.301 10.240 69 HB2 HIS 51 2HB HIS 51 -11.285 12.213 9.655 70 HB3 HIS 51 1HB HIS 51 -12.143 11.223 8.481 71 HD1 HIS 51 HD1 HIS 51 -14.588 10.831 8.850 72 HD2 HIS 51 HD2 HIS 51 -12.786 12.680 12.085 73 HE1 HIS 51 HE1 HIS 51 -16.466 11.483 10.375 74 HE2 HIS 51 HE2 HIS 51 -15.321 12.404 12.419 75 H THR 52 H THR 52 -10.014 7.915 10.216 76 HA THR 52 HA THR 52 -8.432 8.202 7.730 77 HB THR 52 HB THR 52 -7.265 7.199 10.384 78 HG1 THR 52 HG1 THR 52 -7.421 9.816 9.309 79 HG21 THR 52 3HG2 THR 52 -5.879 8.195 7.866 80 HG22 THR 52 1HG2 THR 52 -6.048 6.503 8.315 81 HG23 THR 52 2HG2 THR 52 -5.089 7.591 9.325 82 H VAL 53 H VAL 53 -8.145 6.204 6.635 83 HA VAL 53 HA VAL 53 -9.882 3.995 7.587 84 HB VAL 53 HB VAL 53 -8.962 4.549 4.725 85 HG11 VAL 53 1HG1 VAL 53 -9.462 2.162 5.133 86 HG12 VAL 53 2HG1 VAL 53 -10.657 2.883 4.056 87 HG13 VAL 53 3HG1 VAL 53 -11.063 2.591 5.748 88 HG21 VAL 53 3HG2 VAL 53 -11.669 5.157 5.966 89 HG22 VAL 53 1HG2 VAL 53 -11.244 5.348 4.263 90 HG23 VAL 53 2HG2 VAL 53 -10.459 6.348 5.486 91 H ARG 54 H ARG 54 -9.004 2.002 7.873 92 HA ARG 54 HA ARG 54 -6.145 1.567 7.212 93 HB2 ARG 54 2HB ARG 54 -6.486 1.961 9.642 94 HB3 ARG 54 1HB ARG 54 -7.655 0.648 9.706 95 HG2 ARG 54 2HG ARG 54 -5.902 -0.987 9.222 96 HG3 ARG 54 1HG ARG 54 -4.719 0.304 8.985 97 HD2 ARG 54 2HD ARG 54 -4.862 0.938 11.324 98 HD3 ARG 54 1HD ARG 54 -6.177 -0.208 11.605 99 HE ARG 54 HE ARG 54 -4.271 -1.856 10.770 100 HH11 ARG 54 1HH1 ARG 54 -3.973 0.778 13.076 101 HH12 ARG 54 2HH1 ARG 54 -2.745 -0.023 14.000 102 HH21 ARG 54 1HH2 ARG 54 -2.682 -2.893 12.003 103 HH22 ARG 54 2HH2 ARG 54 -2.031 -2.111 13.407 104 H LEU 55 H LEU 55 -5.907 -0.059 5.818 105 HA LEU 55 HA LEU 55 -7.882 -2.279 5.747 106 HB2 LEU 55 2HB LEU 55 -6.404 -0.968 3.433 107 HB3 LEU 55 1HB LEU 55 -7.211 -2.520 3.287 108 HG LEU 55 HG LEU 55 -8.610 0.063 4.021 109 HD11 LEU 55 1HD1 LEU 55 -9.519 0.063 1.733 110 HD12 LEU 55 2HD1 LEU 55 -8.537 -1.350 1.330 111 HD13 LEU 55 3HD1 LEU 55 -7.761 0.190 1.719 112 HD21 LEU 55 3HD2 LEU 55 -9.759 -1.895 4.910 113 HD22 LEU 55 1HD2 LEU 55 -9.743 -2.663 3.319 114 HD23 LEU 55 2HD2 LEU 55 -10.691 -1.196 3.590 115 H PHE 56 H PHE 56 -7.016 -4.232 4.873 116 HA PHE 56 HA PHE 56 -4.212 -4.848 5.578 117 HB2 PHE 56 2HB PHE 56 -6.608 -6.521 6.501 118 HB3 PHE 56 1HB PHE 56 -4.917 -6.790 6.904 119 HD1 PHE 56 HD2 PHE 56 -7.913 -4.757 7.644 120 HD2 PHE 56 HD1 PHE 56 -3.815 -5.459 8.641 121 HE1 PHE 56 HE2 PHE 56 -8.179 -3.424 9.696 122 HE2 PHE 56 HE1 PHE 56 -4.092 -4.128 10.685 123 HZ PHE 56 HZ PHE 56 -6.265 -3.111 11.214 124 H GLY 57 H GLY 57 -3.331 -6.374 4.177 125 HA2 GLY 57 2HA GLY 57 -4.710 -8.360 2.766 126 HA3 GLY 57 1HA GLY 57 -4.639 -6.940 1.726 127 H THR 58 H THR 58 -3.454 -8.398 0.336 128 HA THR 58 HA THR 58 -0.575 -8.547 0.997 129 HB THR 58 HB THR 58 -2.145 -10.446 -0.815 130 HG1 THR 58 HG1 THR 58 -1.663 -10.442 1.921 131 HG21 THR 58 3HG2 THR 58 0.260 -10.303 -1.401 132 HG22 THR 58 1HG2 THR 58 -0.133 -11.870 -0.689 133 HG23 THR 58 2HG2 THR 58 0.686 -10.644 0.280 134 H VAL 59 H VAL 59 0.810 -7.798 -0.520 135 HA VAL 59 HA VAL 59 -0.074 -5.919 -2.500 136 HB VAL 59 HB VAL 59 2.720 -6.952 -1.811 137 HG11 VAL 59 1HG1 VAL 59 1.943 -4.488 -3.418 138 HG12 VAL 59 2HG1 VAL 59 2.729 -5.939 -4.044 139 HG13 VAL 59 3HG1 VAL 59 3.582 -4.903 -2.903 140 HG21 VAL 59 3HG2 VAL 59 1.620 -5.887 0.115 141 HG22 VAL 59 1HG2 VAL 59 1.303 -4.439 -0.846 142 HG23 VAL 59 2HG2 VAL 59 2.964 -4.904 -0.465 143 H ALA 60 H ALA 60 -0.369 -6.312 -4.659 144 HA ALA 60 HA ALA 60 0.245 -8.869 -5.868 145 HB1 ALA 60 3HB ALA 60 -1.785 -7.656 -6.536 146 HB2 ALA 60 1HB ALA 60 -0.723 -7.891 -7.925 147 HB3 ALA 60 2HB ALA 60 -0.814 -6.312 -7.137 148 H ALA 61 H ALA 61 1.890 -9.337 -7.244 149 HA ALA 61 HA ALA 61 4.241 -7.690 -7.381 150 HB1 ALA 61 3HB ALA 61 5.173 -9.521 -8.745 151 HB2 ALA 61 1HB ALA 61 3.572 -10.254 -8.882 152 HB3 ALA 61 2HB ALA 61 4.370 -10.162 -7.312 153 H ASP 62 H ASP 62 1.632 -8.596 -9.597 154 HA ASP 62 HA ASP 62 2.624 -7.069 -11.840 155 HB2 ASP 62 2HB ASP 62 -0.036 -8.482 -11.363 156 HB3 ASP 62 1HB ASP 62 0.404 -7.688 -12.872 157 H GLY 63 H GLY 63 2.490 -4.964 -11.903 158 HA2 GLY 63 2HA GLY 63 1.457 -2.856 -11.988 159 HA3 GLY 63 1HA GLY 63 0.098 -3.492 -11.069 160 H LEU 64 H LEU 64 3.563 -3.707 -10.299 161 HA LEU 64 HA LEU 64 3.150 -1.912 -7.971 162 HB2 LEU 64 2HB LEU 64 3.844 -4.346 -7.538 163 HB3 LEU 64 1HB LEU 64 5.394 -3.955 -8.261 164 HG LEU 64 HG LEU 64 4.330 -2.436 -5.834 165 HD11 LEU 64 1HD1 LEU 64 6.058 -4.923 -5.739 166 HD12 LEU 64 2HD1 LEU 64 4.370 -4.809 -5.240 167 HD13 LEU 64 3HD1 LEU 64 5.605 -3.908 -4.364 168 HD21 LEU 64 3HD2 LEU 64 6.702 -1.913 -5.397 169 HD22 LEU 64 1HD2 LEU 64 6.216 -1.353 -6.994 170 HD23 LEU 64 2HD2 LEU 64 7.184 -2.820 -6.836 171 H THR 65 H THR 65 3.603 0.024 -8.756 172 HA THR 65 HA THR 65 6.061 0.512 -10.346 173 HB THR 65 HB THR 65 3.550 2.253 -10.147 174 HG1 THR 65 HG1 THR 65 4.278 0.143 -11.847 175 HG21 THR 65 3HG2 THR 65 5.561 3.568 -10.754 176 HG22 THR 65 1HG2 THR 65 4.468 3.425 -12.132 177 HG23 THR 65 2HG2 THR 65 5.927 2.434 -12.055 178 H MET 66 H MET 66 7.668 1.426 -9.185 179 HA MET 66 HA MET 66 7.097 2.750 -6.615 180 HB2 MET 66 2HB MET 66 9.805 2.031 -7.841 181 HB3 MET 66 1HB MET 66 9.530 2.632 -6.207 182 HG2 MET 66 2HG MET 66 8.139 0.539 -5.799 183 HG3 MET 66 1HG MET 66 8.729 -0.059 -7.343 184 HE1 MET 66 3HE MET 66 9.594 0.772 -3.617 185 HE2 MET 66 1HE MET 66 10.538 1.984 -4.489 186 HE3 MET 66 2HE MET 66 11.355 0.688 -3.621 187 H LEU 67 H LEU 67 7.369 4.931 -6.331 188 HA LEU 67 HA LEU 67 7.029 6.557 -8.615 189 HB2 LEU 67 2HB LEU 67 7.606 7.405 -5.740 190 HB3 LEU 67 1HB LEU 67 6.996 8.457 -7.010 191 HG LEU 67 HG LEU 67 5.528 6.107 -5.738 192 HD11 LEU 67 1HD1 LEU 67 4.891 9.070 -5.647 193 HD12 LEU 67 2HD1 LEU 67 5.570 8.105 -4.335 194 HD13 LEU 67 3HD1 LEU 67 3.944 7.770 -4.917 195 HD21 LEU 67 3HD2 LEU 67 4.579 7.867 -8.022 196 HD22 LEU 67 1HD2 LEU 67 3.597 6.683 -7.156 197 HD23 LEU 67 2HD2 LEU 67 4.978 6.149 -8.109 198 H ASP 68 H ASP 68 8.429 7.622 -9.854 199 HA ASP 68 HA ASP 68 11.304 7.303 -9.454 200 HB2 ASP 68 2HB ASP 68 9.791 8.542 -11.800 201 HB3 ASP 68 1HB ASP 68 11.495 8.100 -11.778 202 H GLY 69 H GLY 69 12.653 8.922 -8.857 203 HA2 GLY 69 2HA GLY 69 13.474 10.981 -8.283 204 HA3 GLY 69 1HA GLY 69 12.266 11.701 -9.333 205 H ALA 70 H ALA 70 11.119 9.642 -6.817 206 HA ALA 70 HA ALA 70 10.736 11.683 -4.798 207 HB1 ALA 70 3HB ALA 70 8.890 12.225 -6.336 208 HB2 ALA 70 1HB ALA 70 8.255 11.554 -4.831 209 HB3 ALA 70 2HB ALA 70 8.330 10.554 -6.287 210 HA PRO 71 HA PRO 71 10.795 7.796 -2.423 211 HB2 PRO 71 2HB PRO 71 10.003 8.797 0.019 212 HB3 PRO 71 1HB PRO 71 11.640 8.998 -0.624 213 HG2 PRO 71 2HG PRO 71 9.334 10.944 -0.692 214 HG3 PRO 71 1HG PRO 71 11.035 11.245 -0.270 215 HD2 PRO 71 2HD PRO 71 10.066 11.844 -2.725 216 HD3 PRO 71 1HD PRO 71 11.727 11.246 -2.507 217 H GLY 72 H GLY 72 9.165 6.425 -3.006 218 HA2 GLY 72 2HA GLY 72 6.820 6.121 -1.606 219 HA3 GLY 72 1HA GLY 72 6.380 7.133 -2.977 220 H VAL 73 H VAL 73 5.056 4.932 -2.868 221 HA VAL 73 HA VAL 73 6.007 3.304 -5.095 222 HB VAL 73 HB VAL 73 6.745 2.141 -2.945 223 HG11 VAL 73 1HG1 VAL 73 4.851 2.731 -1.484 224 HG12 VAL 73 2HG1 VAL 73 5.075 0.982 -1.532 225 HG13 VAL 73 3HG1 VAL 73 3.765 1.731 -2.453 226 HG21 VAL 73 3HG2 VAL 73 6.490 0.837 -5.008 227 HG22 VAL 73 1HG2 VAL 73 4.776 0.586 -4.668 228 HG23 VAL 73 2HG2 VAL 73 5.999 -0.127 -3.613 229 H ARG 74 H ARG 74 4.285 2.080 -6.038 230 HA ARG 74 HA ARG 74 1.530 2.550 -5.150 231 HB2 ARG 74 2HB ARG 74 2.052 4.114 -7.075 232 HB3 ARG 74 1HB ARG 74 2.480 2.714 -8.056 233 HG2 ARG 74 2HG ARG 74 0.114 1.871 -7.722 234 HG3 ARG 74 1HG ARG 74 -0.264 3.421 -6.957 235 HD2 ARG 74 2HD ARG 74 0.665 2.958 -9.811 236 HD3 ARG 74 1HD ARG 74 -0.942 3.477 -9.291 237 HE ARG 74 HE ARG 74 1.468 5.135 -8.827 238 HH11 ARG 74 1HH1 ARG 74 -1.806 4.854 -10.080 239 HH12 ARG 74 2HH1 ARG 74 -1.873 6.518 -10.571 240 HH21 ARG 74 1HH2 ARG 74 1.347 7.290 -9.453 241 HH22 ARG 74 2HH2 ARG 74 -0.092 7.898 -10.205 242 H PHE 75 H PHE 75 0.352 0.673 -5.264 243 HA PHE 75 HA PHE 75 1.249 -1.634 -6.796 244 HB2 PHE 75 2HB PHE 75 1.379 -3.123 -4.798 245 HB3 PHE 75 1HB PHE 75 2.622 -1.884 -4.770 246 HD1 PHE 75 HD2 PHE 75 2.341 0.123 -3.208 247 HD2 PHE 75 HD1 PHE 75 -0.216 -3.308 -2.972 248 HE1 PHE 75 HE2 PHE 75 1.666 0.774 -0.930 249 HE2 PHE 75 HE1 PHE 75 -0.888 -2.640 -0.697 250 HZ PHE 75 HZ PHE 75 0.061 -0.613 0.326 251 H ARG 76 H ARG 76 -0.329 -3.416 -6.648 252 HA ARG 76 HA ARG 76 -3.064 -2.400 -6.264 253 HB2 ARG 76 2HB ARG 76 -2.347 -3.495 -8.464 254 HB3 ARG 76 1HB ARG 76 -2.202 -5.012 -7.579 255 HG2 ARG 76 2HG ARG 76 -4.641 -4.794 -6.961 256 HG3 ARG 76 1HG ARG 76 -4.729 -3.383 -8.019 257 HD2 ARG 76 2HD ARG 76 -5.551 -5.285 -9.246 258 HD3 ARG 76 1HD ARG 76 -3.975 -4.856 -9.923 259 HE ARG 76 HE ARG 76 -3.979 -6.917 -7.862 260 HH11 ARG 76 1HH1 ARG 76 -3.920 -6.270 -11.318 261 HH12 ARG 76 2HH1 ARG 76 -3.418 -7.877 -11.728 262 HH21 ARG 76 1HH2 ARG 76 -3.350 -9.010 -8.424 263 HH22 ARG 76 2HH2 ARG 76 -3.103 -9.424 -10.087 264 H LEU 77 H LEU 77 -3.631 -2.676 -4.144 265 HA LEU 77 HA LEU 77 -2.788 -4.907 -2.530 266 HB2 LEU 77 2HB LEU 77 -3.395 -2.659 -1.528 267 HB3 LEU 77 1HB LEU 77 -5.069 -2.966 -1.963 268 HG LEU 77 HG LEU 77 -4.926 -5.092 -0.513 269 HD11 LEU 77 1HD1 LEU 77 -2.385 -3.774 0.483 270 HD12 LEU 77 2HD1 LEU 77 -2.509 -5.302 -0.398 271 HD13 LEU 77 3HD1 LEU 77 -3.193 -5.163 1.219 272 HD21 LEU 77 3HD2 LEU 77 -4.657 -2.431 0.914 273 HD22 LEU 77 1HD2 LEU 77 -5.344 -3.910 1.587 274 HD23 LEU 77 2HD2 LEU 77 -6.143 -3.103 0.239 275 H GLU 78 H GLU 78 -3.760 -6.784 -2.318 276 HA GLU 78 HA GLU 78 -6.541 -7.231 -3.231 277 HB2 GLU 78 2HB GLU 78 -4.242 -9.251 -3.369 278 HB3 GLU 78 1HB GLU 78 -5.882 -9.480 -3.976 279 HG2 GLU 78 2HG GLU 78 -5.500 -7.743 -5.675 280 HG3 GLU 78 1HG GLU 78 -3.870 -7.480 -5.061 281 H ASP 79 H ASP 79 -7.543 -7.199 -1.284 282 HA ASP 79 HA ASP 79 -6.364 -7.524 1.195 283 HB2 ASP 79 2HB ASP 79 -9.285 -7.732 0.398 284 HB3 ASP 79 1HB ASP 79 -8.763 -7.784 2.075 285 H LYS 80 H LYS 80 -6.312 -9.128 2.762 286 HA LYS 80 HA LYS 80 -5.412 -11.599 1.890 287 HB2 LYS 80 2HB LYS 80 -4.741 -10.629 4.041 288 HB3 LYS 80 1HB LYS 80 -6.392 -10.760 4.648 289 HG2 LYS 80 2HG LYS 80 -6.237 -13.223 4.558 290 HG3 LYS 80 1HG LYS 80 -4.590 -13.098 3.936 291 HD2 LYS 80 2HD LYS 80 -3.868 -12.022 6.035 292 HD3 LYS 80 1HD LYS 80 -5.525 -12.094 6.651 293 HE2 LYS 80 2HE LYS 80 -3.854 -14.527 5.908 294 HE3 LYS 80 1HE LYS 80 -4.070 -13.910 7.546 295 HZ1 LYS 80 3HZ LYS 80 -5.563 -15.746 7.026 296 HZ2 LYS 80 1HZ LYS 80 -6.272 -14.833 5.789 297 HZ3 LYS 80 2HZ LYS 80 -6.411 -14.338 7.399 298 H ASP 81 H ASP 81 -8.558 -10.741 3.259 299 HA ASP 81 HA ASP 81 -9.677 -13.395 2.681 300 HB2 ASP 81 2HB ASP 81 -10.811 -10.940 4.089 301 HB3 ASP 81 1HB ASP 81 -11.748 -12.403 3.782 302 H ASN 82 H ASN 82 -10.297 -9.950 1.886 303 HA ASN 82 HA ASN 82 -12.169 -10.773 -0.243 304 HB2 ASN 82 2HB ASN 82 -12.955 -9.083 1.432 305 HB3 ASN 82 1HB ASN 82 -11.697 -7.980 0.891 306 HD21 ASN 82 1HD2 ASN 82 -13.329 -6.444 0.343 307 HD22 ASN 82 2HD2 ASN 82 -14.301 -6.620 -1.072 308 H THR 83 H THR 83 -10.121 -11.551 -1.319 309 HA THR 83 HA THR 83 -8.386 -9.674 -2.633 310 HB THR 83 HB THR 83 -7.631 -11.975 -2.142 311 HG1 THR 83 HG1 THR 83 -7.275 -10.679 -4.410 312 HG21 THR 83 3HG2 THR 83 -8.397 -13.906 -3.473 313 HG22 THR 83 1HG2 THR 83 -9.612 -12.902 -4.260 314 HG23 THR 83 2HG2 THR 83 -9.727 -13.232 -2.529 315 H SER 84 H SER 84 -11.566 -10.786 -3.221 316 HA SER 84 HA SER 84 -11.853 -10.473 -6.020 317 HB2 SER 84 2HB SER 84 -13.935 -10.065 -3.820 318 HB3 SER 84 1HB SER 84 -14.276 -10.337 -5.537 319 HG SER 84 HG SER 84 -13.151 -12.364 -5.296 320 H LYS 85 H LYS 85 -11.610 -8.191 -3.420 321 HA LYS 85 HA LYS 85 -12.268 -5.890 -5.144 322 HB2 LYS 85 2HB LYS 85 -13.214 -5.989 -2.812 323 HB3 LYS 85 1HB LYS 85 -11.576 -6.051 -2.173 324 HG2 LYS 85 2HG LYS 85 -11.249 -3.758 -3.381 325 HG3 LYS 85 1HG LYS 85 -13.012 -3.729 -3.479 326 HD2 LYS 85 2HD LYS 85 -12.224 -2.493 -1.504 327 HD3 LYS 85 1HD LYS 85 -13.152 -3.913 -1.006 328 HE2 LYS 85 2HE LYS 85 -11.067 -5.130 -0.542 329 HE3 LYS 85 1HE LYS 85 -10.115 -3.766 -1.127 330 HZ1 LYS 85 3HZ LYS 85 -11.919 -3.692 1.220 331 HZ2 LYS 85 1HZ LYS 85 -10.899 -2.453 0.688 332 HZ3 LYS 85 2HZ LYS 85 -10.237 -3.890 1.285 333 H THR 86 H THR 86 -10.466 -5.846 -6.509 334 HA THR 86 HA THR 86 -7.754 -5.712 -5.396 335 HB THR 86 HB THR 86 -7.029 -5.599 -7.815 336 HG1 THR 86 HG1 THR 86 -8.884 -4.697 -8.744 337 HG21 THR 86 3HG2 THR 86 -7.582 -7.934 -8.398 338 HG22 THR 86 1HG2 THR 86 -8.851 -7.951 -7.172 339 HG23 THR 86 2HG2 THR 86 -7.160 -7.797 -6.690 340 H VAL 87 H VAL 87 -7.341 -3.814 -4.504 341 HA VAL 87 HA VAL 87 -8.332 -1.266 -5.634 342 HB VAL 87 HB VAL 87 -7.141 -1.924 -2.884 343 HG11 VAL 87 1HG1 VAL 87 -6.602 0.409 -3.449 344 HG12 VAL 87 2HG1 VAL 87 -7.825 0.367 -2.181 345 HG13 VAL 87 3HG1 VAL 87 -8.292 0.735 -3.844 346 HG21 VAL 87 3HG2 VAL 87 -9.394 -2.871 -3.202 347 HG22 VAL 87 1HG2 VAL 87 -10.010 -1.279 -3.653 348 HG23 VAL 87 2HG2 VAL 87 -9.425 -1.565 -2.013 349 H TRP 88 H TRP 88 -6.893 0.251 -6.421 350 HA TRP 88 HA TRP 88 -4.016 -0.281 -6.412 351 HB2 TRP 88 2HB TRP 88 -5.683 1.979 -7.618 352 HB3 TRP 88 1HB TRP 88 -3.923 1.906 -7.723 353 HD1 TRP 88 HD1 TRP 88 -7.047 0.439 -9.302 354 HE1 TRP 88 HE1 TRP 88 -6.365 -1.089 -11.250 355 HE3 TRP 88 HE3 TRP 88 -2.002 0.240 -8.467 356 HZ2 TRP 88 HZ2 TRP 88 -4.028 -2.253 -12.280 357 HZ3 TRP 88 HZ3 TRP 88 -0.616 -1.115 -9.984 358 HH2 TRP 88 HH2 TRP 88 -1.608 -2.339 -11.850 359 H VAL 89 H VAL 89 -2.580 0.751 -5.061 360 HA VAL 89 HA VAL 89 -3.656 2.702 -3.117 361 HB VAL 89 HB VAL 89 -1.666 0.466 -2.486 362 HG11 VAL 89 1HG1 VAL 89 -1.238 2.488 -1.145 363 HG12 VAL 89 2HG1 VAL 89 -1.912 1.218 -0.121 364 HG13 VAL 89 3HG1 VAL 89 -2.932 2.556 -0.660 365 HG21 VAL 89 3HG2 VAL 89 -3.456 -0.529 -1.105 366 HG22 VAL 89 1HG2 VAL 89 -3.948 -0.436 -2.799 367 HG23 VAL 89 2HG2 VAL 89 -4.579 0.730 -1.631 368 H LEU 90 H LEU 90 -2.621 4.526 -3.248 369 HA LEU 90 HA LEU 90 0.112 4.690 -4.371 370 HB2 LEU 90 2HB LEU 90 -1.636 6.051 -5.539 371 HB3 LEU 90 1HB LEU 90 -1.982 6.885 -4.034 372 HG LEU 90 HG LEU 90 0.370 7.779 -4.028 373 HD11 LEU 90 1HD1 LEU 90 1.470 6.072 -5.372 374 HD12 LEU 90 2HD1 LEU 90 1.729 7.673 -6.061 375 HD13 LEU 90 3HD1 LEU 90 0.560 6.579 -6.802 376 HD21 LEU 90 3HD2 LEU 90 -1.488 9.158 -4.847 377 HD22 LEU 90 1HD2 LEU 90 -1.248 8.523 -6.481 378 HD23 LEU 90 2HD2 LEU 90 0.005 9.505 -5.717 379 H TYR 91 H TYR 91 1.565 4.697 -2.818 380 HA TYR 91 HA TYR 91 1.085 6.065 -0.234 381 HB2 TYR 91 2HB TYR 91 1.603 3.719 0.136 382 HB3 TYR 91 1HB TYR 91 2.970 3.778 -0.976 383 HD1 TYR 91 HD1 TYR 91 1.768 5.423 2.197 384 HD2 TYR 91 HD2 TYR 91 5.136 4.017 -0.035 385 HE1 TYR 91 HE1 TYR 91 3.265 6.036 4.050 386 HE2 TYR 91 HE2 TYR 91 6.617 4.614 1.821 387 HH TYR 91 HH TYR 91 5.582 5.299 4.891 388 H LYS 92 H LYS 92 2.029 8.017 -0.128 389 HA LYS 92 HA LYS 92 4.530 8.614 -1.581 390 HB2 LYS 92 2HB LYS 92 2.530 10.438 -0.170 391 HB3 LYS 92 1HB LYS 92 3.986 10.994 -1.001 392 HG2 LYS 92 2HG LYS 92 3.119 10.191 -3.139 393 HG3 LYS 92 1HG LYS 92 1.699 9.501 -2.336 394 HD2 LYS 92 2HD LYS 92 0.992 11.772 -1.648 395 HD3 LYS 92 1HD LYS 92 2.412 12.463 -2.441 396 HE2 LYS 92 2HE LYS 92 0.242 10.891 -3.873 397 HE3 LYS 92 1HE LYS 92 0.310 12.651 -3.786 398 HZ1 LYS 92 3HZ LYS 92 2.410 12.609 -4.945 399 HZ2 LYS 92 1HZ LYS 92 1.234 11.803 -5.850 400 HZ3 LYS 92 2HZ LYS 92 2.395 10.920 -4.996 401 H GLY 93 H GLY 93 6.325 8.312 -0.447 402 HA2 GLY 93 2HA GLY 93 7.441 9.502 1.599 403 HA3 GLY 93 1HA GLY 93 6.380 8.425 2.500 404 H ALA 94 H ALA 94 8.903 8.069 3.101 405 HA ALA 94 HA ALA 94 10.448 6.374 1.455 406 HB1 ALA 94 3HB ALA 94 10.496 6.661 4.479 407 HB2 ALA 94 1HB ALA 94 11.414 7.630 3.328 408 HB3 ALA 94 2HB ALA 94 11.757 5.908 3.497 409 H VAL 95 H VAL 95 9.955 4.374 0.846 410 HA VAL 95 HA VAL 95 7.822 2.844 2.061 411 HB VAL 95 HB VAL 95 9.678 2.068 -0.238 412 HG11 VAL 95 1HG1 VAL 95 8.482 0.132 0.702 413 HG12 VAL 95 2HG1 VAL 95 7.865 0.514 -0.905 414 HG13 VAL 95 3HG1 VAL 95 6.941 0.974 0.527 415 HG21 VAL 95 3HG2 VAL 95 7.921 2.903 -1.755 416 HG22 VAL 95 1HG2 VAL 95 8.544 4.196 -0.729 417 HG23 VAL 95 2HG2 VAL 95 6.980 3.459 -0.370 418 HA PRO 96 HA PRO 96 10.417 0.540 5.037 419 HB2 PRO 96 2HB PRO 96 8.280 -1.529 4.405 420 HB3 PRO 96 1HB PRO 96 8.952 -1.059 5.977 421 HG2 PRO 96 2HG PRO 96 6.572 -0.139 5.229 422 HG3 PRO 96 1HG PRO 96 7.722 0.945 6.044 423 HD2 PRO 96 2HD PRO 96 6.974 0.813 3.134 424 HD3 PRO 96 1HD PRO 96 7.388 2.227 4.129 425 H ASP 97 H ASP 97 12.138 -0.809 4.750 426 HA ASP 97 HA ASP 97 12.834 -1.886 2.207 427 HB2 ASP 97 2HB ASP 97 14.048 -2.399 4.963 428 HB3 ASP 97 1HB ASP 97 14.789 -2.881 3.440 429 H THR 98 H THR 98 11.172 -3.197 4.970 430 HA THR 98 HA THR 98 11.298 -5.977 4.245 431 HB THR 98 HB THR 98 10.933 -5.308 6.577 432 HG1 THR 98 HG1 THR 98 8.929 -6.858 5.323 433 HG21 THR 98 3HG2 THR 98 8.770 -4.355 7.333 434 HG22 THR 98 1HG2 THR 98 8.280 -4.171 5.653 435 HG23 THR 98 2HG2 THR 98 9.652 -3.252 6.270 436 H PHE 99 H PHE 99 9.525 -3.345 3.001 437 HA PHE 99 HA PHE 99 7.189 -4.745 2.044 438 HB2 PHE 99 2HB PHE 99 7.174 -2.278 2.332 439 HB3 PHE 99 1HB PHE 99 8.416 -2.111 1.101 440 HD1 PHE 99 HD2 PHE 99 7.846 -2.411 -1.307 441 HD2 PHE 99 HD1 PHE 99 4.844 -2.711 1.724 442 HE1 PHE 99 HE2 PHE 99 6.096 -2.201 -3.018 443 HE2 PHE 99 HE1 PHE 99 3.101 -2.494 0.007 444 HZ PHE 99 HZ PHE 99 3.724 -2.242 -2.362 445 H LYS 100 H LYS 100 6.916 -5.774 0.142 446 HA LYS 100 HA LYS 100 8.834 -5.804 -2.016 447 HB2 LYS 100 2HB LYS 100 9.347 -8.230 -1.842 448 HB3 LYS 100 1HB LYS 100 9.888 -7.396 -0.387 449 HG2 LYS 100 2HG LYS 100 7.919 -8.177 0.831 450 HG3 LYS 100 1HG LYS 100 7.290 -8.943 -0.630 451 HD2 LYS 100 2HD LYS 100 9.198 -10.516 -0.622 452 HD3 LYS 100 1HD LYS 100 9.837 -9.739 0.835 453 HE2 LYS 100 2HE LYS 100 7.826 -10.389 2.090 454 HE3 LYS 100 1HE LYS 100 7.118 -11.105 0.638 455 HZ1 LYS 100 3HZ LYS 100 8.897 -12.715 0.612 456 HZ2 LYS 100 1HZ LYS 100 8.089 -12.749 2.094 457 HZ3 LYS 100 2HZ LYS 100 9.604 -12.009 1.978 458 HA PRO 101 HA PRO 101 5.060 -7.185 -4.235 459 HB2 PRO 101 2HB PRO 101 6.777 -9.096 -5.790 460 HB3 PRO 101 1HB PRO 101 5.733 -7.791 -6.371 461 HG2 PRO 101 2HG PRO 101 8.399 -7.542 -6.419 462 HG3 PRO 101 1HG PRO 101 7.362 -6.153 -6.032 463 HD2 PRO 101 2HD PRO 101 8.936 -7.928 -4.165 464 HD3 PRO 101 1HD PRO 101 8.751 -6.156 -4.150 465 H GLY 102 H GLY 102 3.765 -8.410 -2.918 466 HA2 GLY 102 2HA GLY 102 2.714 -10.557 -2.721 467 HA3 GLY 102 1HA GLY 102 4.289 -11.334 -2.758 468 H VAL 103 H VAL 103 4.642 -8.682 -0.749 469 HA VAL 103 HA VAL 103 4.421 -10.240 1.685 470 HB VAL 103 HB VAL 103 6.170 -8.434 1.312 471 HG11 VAL 103 1HG1 VAL 103 3.927 -6.484 1.881 472 HG12 VAL 103 2HG1 VAL 103 4.748 -6.685 0.337 473 HG13 VAL 103 3HG1 VAL 103 5.642 -6.080 1.732 474 HG21 VAL 103 3HG2 VAL 103 6.211 -7.648 3.647 475 HG22 VAL 103 1HG2 VAL 103 5.780 -9.360 3.557 476 HG23 VAL 103 2HG2 VAL 103 4.529 -8.147 3.847 477 H GLU 104 H GLU 104 2.907 -9.942 3.369 478 HA GLU 104 HA GLU 104 0.410 -8.602 2.751 479 HB2 GLU 104 2HB GLU 104 1.340 -10.004 5.295 480 HB3 GLU 104 1HB GLU 104 -0.292 -9.396 4.998 481 HG2 GLU 104 2HG GLU 104 -0.479 -10.955 3.047 482 HG3 GLU 104 1HG GLU 104 1.114 -11.607 3.450 483 H VAL 105 H VAL 105 -0.203 -6.672 3.510 484 HA VAL 105 HA VAL 105 1.603 -5.109 5.257 485 HB VAL 105 HB VAL 105 1.153 -3.062 3.869 486 HG11 VAL 105 1HG1 VAL 105 3.278 -4.252 3.617 487 HG12 VAL 105 2HG1 VAL 105 2.767 -3.552 2.081 488 HG13 VAL 105 3HG1 VAL 105 2.578 -5.283 2.366 489 HG21 VAL 105 3HG2 VAL 105 0.315 -3.270 1.547 490 HG22 VAL 105 1HG2 VAL 105 -0.913 -3.762 2.718 491 HG23 VAL 105 2HG2 VAL 105 -0.019 -4.985 1.811 492 H ILE 106 H ILE 106 0.676 -3.322 6.249 493 HA ILE 106 HA ILE 106 -2.257 -3.119 6.475 494 HB ILE 106 HB ILE 106 -0.125 -2.382 8.551 495 HG12 ILE 106 2HG1 ILE 106 -2.166 -4.648 8.586 496 HG13 ILE 106 1HG1 ILE 106 -0.427 -4.829 8.388 497 HG21 ILE 106 1HG2 ILE 106 -2.009 -1.852 10.065 498 HG22 ILE 106 2HG2 ILE 106 -3.155 -2.175 8.763 499 HG23 ILE 106 3HG2 ILE 106 -2.025 -0.822 8.631 500 HD11 ILE 106 3HD1 ILE 106 -1.135 -5.427 10.619 501 HD12 ILE 106 1HD1 ILE 106 -1.834 -3.825 10.866 502 HD13 ILE 106 2HD1 ILE 106 -0.086 -4.012 10.671 503 H ILE 107 H ILE 107 -2.794 -1.428 5.223 504 HA ILE 107 HA ILE 107 -1.078 0.974 5.027 505 HB ILE 107 HB ILE 107 -2.551 1.637 3.114 506 HG12 ILE 107 2HG1 ILE 107 -3.873 -1.094 3.497 507 HG13 ILE 107 1HG1 ILE 107 -4.641 0.464 3.777 508 HG21 ILE 107 1HG2 ILE 107 -1.700 -0.005 1.484 509 HG22 ILE 107 2HG2 ILE 107 -1.335 -1.127 2.797 510 HG23 ILE 107 3HG2 ILE 107 -0.469 0.405 2.681 511 HD11 ILE 107 3HD1 ILE 107 -3.734 -0.648 1.125 512 HD12 ILE 107 1HD1 ILE 107 -4.393 0.973 1.365 513 HD13 ILE 107 2HD1 ILE 107 -5.389 -0.441 1.696 514 H GLU 108 H GLU 108 -1.818 2.959 5.644 515 HA GLU 108 HA GLU 108 -4.450 3.251 6.942 516 HB2 GLU 108 2HB GLU 108 -2.805 2.646 8.715 517 HB3 GLU 108 1HB GLU 108 -1.743 3.944 8.192 518 HG2 GLU 108 2HG GLU 108 -2.801 4.745 10.136 519 HG3 GLU 108 1HG GLU 108 -3.612 5.562 8.804 520 H GLY 109 H GLY 109 -5.351 5.135 6.278 521 HA2 GLY 109 2HA GLY 109 -4.215 7.602 5.775 522 HA3 GLY 109 1HA GLY 109 -4.065 6.719 4.253 523 H GLY 110 H GLY 110 -5.841 6.823 2.878 524 HA2 GLY 110 2HA GLY 110 -8.458 6.304 3.808 525 HA3 GLY 110 1HA GLY 110 -8.270 8.036 3.543 526 H LEU 111 H LEU 111 -9.786 5.792 2.192 527 HA LEU 111 HA LEU 111 -8.992 6.193 -0.598 528 HB2 LEU 111 2HB LEU 111 -9.807 3.973 0.043 529 HB3 LEU 111 1HB LEU 111 -11.268 4.668 0.718 530 HG LEU 111 HG LEU 111 -11.978 5.365 -1.576 531 HD11 LEU 111 1HD1 LEU 111 -9.570 3.805 -2.543 532 HD12 LEU 111 2HD1 LEU 111 -9.804 5.551 -2.664 533 HD13 LEU 111 3HD1 LEU 111 -10.863 4.460 -3.552 534 HD21 LEU 111 3HD2 LEU 111 -11.434 2.397 -1.269 535 HD22 LEU 111 1HD2 LEU 111 -12.620 3.131 -2.351 536 HD23 LEU 111 2HD2 LEU 111 -12.813 3.281 -0.606 537 H ALA 112 H ALA 112 -9.635 7.975 -1.586 538 HA ALA 112 HA ALA 112 -11.521 9.802 -0.354 539 HB1 ALA 112 3HB ALA 112 -9.844 10.103 -2.865 540 HB2 ALA 112 1HB ALA 112 -9.405 10.655 -1.248 541 HB3 ALA 112 2HB ALA 112 -10.773 11.388 -2.088 542 HA PRO 113 HA PRO 113 -15.015 8.363 -2.947 543 HB2 PRO 113 2HB PRO 113 -16.253 10.962 -2.080 544 HB3 PRO 113 1HB PRO 113 -16.883 9.312 -1.948 545 HG2 PRO 113 2HG PRO 113 -15.964 10.592 0.215 546 HG3 PRO 113 1HG PRO 113 -15.671 8.853 -0.003 547 HD2 PRO 113 2HD PRO 113 -13.785 11.167 -0.476 548 HD3 PRO 113 1HD PRO 113 -13.469 9.596 0.298 549 H GLY 114 H GLY 114 -14.123 8.550 -4.972 550 HA2 GLY 114 2HA GLY 114 -14.754 10.023 -7.021 551 HA3 GLY 114 1HA GLY 114 -13.706 11.195 -6.213 552 H GLU 115 H GLU 115 -11.805 9.490 -5.157 553 HA GLU 115 HA GLU 115 -10.234 8.666 -7.486 554 HB2 GLU 115 2HB GLU 115 -9.499 8.776 -4.515 555 HB3 GLU 115 1HB GLU 115 -8.392 8.343 -5.823 556 HG2 GLU 115 2HG GLU 115 -8.706 10.611 -6.800 557 HG3 GLU 115 1HG GLU 115 -9.741 11.032 -5.429 558 H ASP 116 H ASP 116 -9.892 6.599 -8.055 559 HA ASP 116 HA ASP 116 -11.175 4.390 -6.728 560 HB2 ASP 116 2HB ASP 116 -9.159 4.424 -9.022 561 HB3 ASP 116 1HB ASP 116 -9.999 2.984 -8.454 562 H THR 117 H THR 117 -8.074 5.933 -6.585 563 HA THR 117 HA THR 117 -6.684 3.612 -5.505 564 HB THR 117 HB THR 117 -5.454 5.115 -7.020 565 HG1 THR 117 HG1 THR 117 -4.591 4.125 -4.763 566 HG21 THR 117 3HG2 THR 117 -5.623 7.217 -4.838 567 HG22 THR 117 1HG2 THR 117 -6.446 7.297 -6.395 568 HG23 THR 117 2HG2 THR 117 -4.681 7.332 -6.327 569 H PHE 118 H PHE 118 -6.305 3.211 -3.381 570 HA PHE 118 HA PHE 118 -7.270 4.914 -1.273 571 HB2 PHE 118 2HB PHE 118 -7.257 2.423 -1.051 572 HB3 PHE 118 1HB PHE 118 -5.503 2.418 -1.165 573 HD1 PHE 118 HD1 PHE 118 -4.139 3.510 0.713 574 HD2 PHE 118 HD2 PHE 118 -8.348 2.832 1.044 575 HE1 PHE 118 HE1 PHE 118 -3.991 3.756 3.149 576 HE2 PHE 118 HE2 PHE 118 -8.178 3.079 3.477 577 HZ PHE 118 HZ PHE 118 -6.008 3.542 4.529 578 H LYS 119 H LYS 119 -6.126 6.631 -0.607 579 HA LYS 119 HA LYS 119 -3.332 7.002 -1.358 580 HB2 LYS 119 2HB LYS 119 -5.112 8.755 -1.647 581 HB3 LYS 119 1HB LYS 119 -5.265 8.852 0.102 582 HG2 LYS 119 2HG LYS 119 -3.026 9.735 0.314 583 HG3 LYS 119 1HG LYS 119 -2.697 9.460 -1.401 584 HD2 LYS 119 2HD LYS 119 -4.762 11.387 -0.263 585 HD3 LYS 119 1HD LYS 119 -3.204 11.841 -0.957 586 HE2 LYS 119 2HE LYS 119 -3.895 11.068 -3.156 587 HE3 LYS 119 1HE LYS 119 -5.391 10.399 -2.505 588 HZ1 LYS 119 3HZ LYS 119 -6.047 12.662 -1.890 589 HZ2 LYS 119 1HZ LYS 119 -5.829 12.473 -3.559 590 HZ3 LYS 119 2HZ LYS 119 -4.661 13.265 -2.633 591 H ALA 120 H ALA 120 -2.115 5.673 -0.044 592 HA ALA 120 HA ALA 120 -2.585 5.346 2.781 593 HB1 ALA 120 3HB ALA 120 -0.228 4.454 1.070 594 HB2 ALA 120 1HB ALA 120 -1.667 3.500 1.436 595 HB3 ALA 120 2HB ALA 120 -0.554 3.943 2.731 596 H ARG 121 H ARG 121 -2.052 6.828 4.204 597 HA ARG 121 HA ARG 121 -0.177 8.975 3.742 598 HB2 ARG 121 2HB ARG 121 -2.349 9.219 5.003 599 HB3 ARG 121 1HB ARG 121 -1.696 8.199 6.275 600 HG2 ARG 121 2HG ARG 121 -1.600 10.570 6.894 601 HG3 ARG 121 1HG ARG 121 0.027 9.891 6.774 602 HD2 ARG 121 2HD ARG 121 -0.253 12.198 5.749 603 HD3 ARG 121 1HD ARG 121 0.416 10.970 4.667 604 HE ARG 121 HE ARG 121 -2.448 11.240 4.498 605 HH11 ARG 121 1HH1 ARG 121 0.564 12.548 3.257 606 HH12 ARG 121 2HH1 ARG 121 -0.130 13.036 1.747 607 HH21 ARG 121 1HH2 ARG 121 -3.341 11.857 2.505 608 HH22 ARG 121 2HH2 ARG 121 -2.346 12.642 1.318 609 H THR 122 H THR 122 -0.394 6.046 5.671 610 HA THR 122 HA THR 122 2.474 6.127 6.319 611 HB THR 122 HB THR 122 1.968 5.202 8.600 612 HG1 THR 122 HG1 THR 122 -0.724 5.700 7.815 613 HG21 THR 122 3HG2 THR 122 0.588 7.875 8.112 614 HG22 THR 122 1HG2 THR 122 2.311 7.642 8.443 615 HG23 THR 122 2HG2 THR 122 1.117 7.258 9.682 616 H LEU 123 H LEU 123 3.448 4.082 6.222 617 HA LEU 123 HA LEU 123 1.753 1.787 5.405 618 HB2 LEU 123 2HB LEU 123 2.864 2.818 3.422 619 HB3 LEU 123 1HB LEU 123 4.428 2.594 4.181 620 HG LEU 123 HG LEU 123 4.151 0.122 4.027 621 HD11 LEU 123 1HD1 LEU 123 1.559 0.724 2.576 622 HD12 LEU 123 2HD1 LEU 123 1.723 -0.038 4.163 623 HD13 LEU 123 3HD1 LEU 123 2.324 -0.864 2.728 624 HD21 LEU 123 3HD2 LEU 123 3.772 1.539 1.361 625 HD22 LEU 123 1HD2 LEU 123 4.428 -0.088 1.593 626 HD23 LEU 123 2HD2 LEU 123 5.305 1.310 2.212 627 H MET 124 H MET 124 2.312 -0.137 6.196 628 HA MET 124 HA MET 124 4.912 -0.732 7.353 629 HB2 MET 124 2HB MET 124 3.625 0.206 9.292 630 HB3 MET 124 1HB MET 124 2.329 -0.944 8.996 631 HG2 MET 124 2HG MET 124 3.919 -2.798 9.521 632 HG3 MET 124 1HG MET 124 5.153 -1.595 9.881 633 HE1 MET 124 3HE MET 124 1.284 -1.360 10.763 634 HE2 MET 124 1HE MET 124 1.277 -2.055 12.380 635 HE3 MET 124 2HE MET 124 1.640 -3.074 10.984 636 H THR 125 H THR 125 5.294 -3.023 7.213 637 HA THR 125 HA THR 125 3.325 -4.603 5.756 638 HB THR 125 HB THR 125 5.023 -6.457 5.944 639 HG1 THR 125 HG1 THR 125 6.565 -6.275 7.358 640 HG21 THR 125 3HG2 THR 125 5.093 -4.919 4.002 641 HG22 THR 125 1HG2 THR 125 6.713 -5.460 4.460 642 HG23 THR 125 2HG2 THR 125 6.166 -3.841 4.902 643 H LYS 126 H LYS 126 2.348 -6.500 6.594 644 HA LYS 126 HA LYS 126 1.795 -6.502 9.448 645 HB2 LYS 126 2HB LYS 126 0.035 -6.684 7.602 646 HB3 LYS 126 1HB LYS 126 0.643 -8.303 7.281 647 HG2 LYS 126 2HG LYS 126 -0.021 -9.059 9.486 648 HG3 LYS 126 1HG LYS 126 -0.421 -7.411 9.977 649 HD2 LYS 126 2HD LYS 126 -2.466 -8.662 9.482 650 HD3 LYS 126 1HD LYS 126 -2.264 -7.352 8.315 651 HE2 LYS 126 2HE LYS 126 -3.015 -9.409 7.212 652 HE3 LYS 126 1HE LYS 126 -1.396 -8.980 6.660 653 HZ1 LYS 126 3HZ LYS 126 -1.620 -11.350 7.126 654 HZ2 LYS 126 1HZ LYS 126 -2.023 -11.015 8.738 655 HZ3 LYS 126 2HZ LYS 126 -0.485 -10.629 8.154 656 H CYS 127 H CYS 127 3.335 -8.482 6.968 657 HA CYS 127 HA CYS 127 4.533 -10.214 9.048 658 HB2 CYS 127 2HB CYS 127 4.982 -11.813 7.154 659 HB3 CYS 127 1HB CYS 127 3.272 -11.546 7.465 660 HG CYS 127 HG CYS 127 3.830 -11.830 4.691 661 HA PRO 128 HA PRO 128 8.299 -7.952 7.684 662 HB2 PRO 128 2HB PRO 128 9.867 -8.492 9.806 663 HB3 PRO 128 1HB PRO 128 8.502 -7.374 9.945 664 HG2 PRO 128 2HG PRO 128 8.673 -10.265 10.784 665 HG3 PRO 128 1HG PRO 128 7.963 -8.892 11.660 666 HD2 PRO 128 2HD PRO 128 6.501 -10.712 10.136 667 HD3 PRO 128 1HD PRO 128 5.952 -9.066 10.522 668 H LEU 129 H LEU 129 10.570 -8.605 7.223 669 HA LEU 129 HA LEU 129 10.743 -11.213 6.001 670 HB2 LEU 129 2HB LEU 129 12.852 -9.033 6.317 671 HB3 LEU 129 1HB LEU 129 13.015 -10.460 5.300 672 HG LEU 129 HG LEU 129 11.031 -8.173 4.891 673 HD11 LEU 129 1HD1 LEU 129 12.293 -7.685 2.852 674 HD12 LEU 129 2HD1 LEU 129 13.432 -8.986 3.213 675 HD13 LEU 129 3HD1 LEU 129 13.330 -7.577 4.272 676 HD21 LEU 129 3HD2 LEU 129 10.376 -9.307 2.802 677 HD22 LEU 129 1HD2 LEU 129 9.992 -10.278 4.222 678 HD23 LEU 129 2HD2 LEU 129 11.391 -10.689 3.226 679 H GLU 130 H GLU 130 10.766 -12.815 7.504 680 HA GLU 130 HA GLU 130 12.909 -12.883 9.544 681 HB2 GLU 130 2HB GLU 130 10.732 -12.346 10.604 682 HB3 GLU 130 1HB GLU 130 10.002 -13.777 9.877 683 HG2 GLU 130 2HG GLU 130 11.604 -15.190 11.194 684 HG3 GLU 130 1HG GLU 130 12.211 -13.722 11.957 Start of MODEL 9 1 H1 MET 43 1H MET 43 -22.170 0.013 18.149 2 H2 MET 43 2H MET 43 -23.223 0.931 19.098 3 H3 MET 43 3H MET 43 -21.617 0.702 19.580 4 HA MET 43 HA MET 43 -20.830 1.926 17.690 5 HB2 MET 43 2HB MET 43 -22.356 3.051 16.158 6 HB3 MET 43 1HB MET 43 -22.756 1.337 16.201 7 HG2 MET 43 2HG MET 43 -24.254 3.529 17.665 8 HG3 MET 43 1HG MET 43 -24.769 2.755 16.164 9 HE1 MET 43 3HE MET 43 -26.466 3.021 18.997 10 HE2 MET 43 1HE MET 43 -27.258 1.446 19.003 11 HE3 MET 43 2HE MET 43 -27.154 2.371 17.507 12 H ALA 44 H ALA 44 -22.735 2.269 20.425 13 HA ALA 44 HA ALA 44 -23.228 5.028 20.650 14 HB1 ALA 44 3HB ALA 44 -22.741 3.017 22.878 15 HB2 ALA 44 1HB ALA 44 -24.289 3.324 22.084 16 HB3 ALA 44 2HB ALA 44 -23.530 4.589 23.051 17 H THR 45 H THR 45 -20.446 3.068 21.649 18 HA THR 45 HA THR 45 -18.947 5.041 22.982 19 HB THR 45 HB THR 45 -18.015 2.505 21.562 20 HG1 THR 45 HG1 THR 45 -18.836 3.053 24.241 21 HG21 THR 45 3HG2 THR 45 -16.021 2.619 23.032 22 HG22 THR 45 1HG2 THR 45 -16.564 4.180 23.656 23 HG23 THR 45 2HG2 THR 45 -16.096 4.018 21.961 24 HA PRO 46 HA PRO 46 -17.292 7.018 19.179 25 HB2 PRO 46 2HB PRO 46 -17.308 9.538 20.032 26 HB3 PRO 46 1HB PRO 46 -18.853 8.709 19.765 27 HG2 PRO 46 2HG PRO 46 -17.468 9.360 22.350 28 HG3 PRO 46 1HG PRO 46 -19.206 9.298 21.997 29 HD2 PRO 46 2HD PRO 46 -17.582 7.214 23.156 30 HD3 PRO 46 1HD PRO 46 -19.297 7.120 22.706 31 H GLN 47 H GLN 47 -15.468 9.186 19.563 32 HA GLN 47 HA GLN 47 -13.468 9.943 20.308 33 HB2 GLN 47 2HB GLN 47 -14.519 9.539 22.584 34 HB3 GLN 47 1HB GLN 47 -13.717 7.976 22.623 35 HG2 GLN 47 2HG GLN 47 -11.518 9.109 22.575 36 HG3 GLN 47 1HG GLN 47 -12.324 10.680 22.531 37 HE21 GLN 47 1HE2 GLN 47 -13.474 11.372 24.418 38 HE22 GLN 47 2HE2 GLN 47 -13.116 10.700 25.969 39 H ASP 48 H ASP 48 -13.924 6.971 19.050 40 HA ASP 48 HA ASP 48 -11.282 5.818 19.369 41 HB2 ASP 48 2HB ASP 48 -12.108 4.099 17.768 42 HB3 ASP 48 1HB ASP 48 -13.213 4.335 19.119 43 H LYS 49 H LYS 49 -9.865 5.388 17.524 44 HA LYS 49 HA LYS 49 -9.634 7.743 15.759 45 HB2 LYS 49 2HB LYS 49 -7.590 5.618 16.562 46 HB3 LYS 49 1HB LYS 49 -7.262 6.970 15.476 47 HG2 LYS 49 2HG LYS 49 -7.745 8.561 17.304 48 HG3 LYS 49 1HG LYS 49 -8.054 7.207 18.400 49 HD2 LYS 49 2HD LYS 49 -5.725 6.454 18.158 50 HD3 LYS 49 1HD LYS 49 -5.411 7.735 16.982 51 HE2 LYS 49 2HE LYS 49 -6.112 8.151 19.915 52 HE3 LYS 49 1HE LYS 49 -4.509 8.314 19.199 53 HZ1 LYS 49 3HZ LYS 49 -5.335 10.140 17.844 54 HZ2 LYS 49 1HZ LYS 49 -5.565 10.459 19.485 55 HZ3 LYS 49 2HZ LYS 49 -6.875 9.982 18.529 56 H LEU 50 H LEU 50 -11.409 5.282 15.283 57 HA LEU 50 HA LEU 50 -10.274 4.076 12.877 58 HB2 LEU 50 2HB LEU 50 -12.991 3.708 14.195 59 HB3 LEU 50 1HB LEU 50 -12.439 2.808 12.792 60 HG LEU 50 HG LEU 50 -11.219 2.686 15.581 61 HD11 LEU 50 1HD1 LEU 50 -13.382 1.560 15.463 62 HD12 LEU 50 2HD1 LEU 50 -12.078 0.391 15.652 63 HD13 LEU 50 3HD1 LEU 50 -12.843 0.612 14.075 64 HD21 LEU 50 3HD2 LEU 50 -9.805 0.847 14.706 65 HD22 LEU 50 1HD2 LEU 50 -9.457 2.381 13.913 66 HD23 LEU 50 2HD2 LEU 50 -10.412 1.155 13.075 67 H HIS 51 H HIS 51 -11.410 7.053 13.317 68 HA HIS 51 HA HIS 51 -13.195 7.490 11.141 69 HB2 HIS 51 2HB HIS 51 -12.963 9.199 12.860 70 HB3 HIS 51 1HB HIS 51 -11.246 9.366 12.538 71 HD1 HIS 51 HD1 HIS 51 -10.576 11.106 10.860 72 HD2 HIS 51 HD2 HIS 51 -14.630 10.231 10.671 73 HE1 HIS 51 HE1 HIS 51 -11.555 12.811 9.298 74 HE2 HIS 51 HE2 HIS 51 -14.037 12.388 9.385 75 H THR 52 H THR 52 -9.630 7.494 11.407 76 HA THR 52 HA THR 52 -9.107 7.844 8.612 77 HB THR 52 HB THR 52 -7.360 6.415 10.687 78 HG1 THR 52 HG1 THR 52 -8.084 8.924 10.703 79 HG21 THR 52 3HG2 THR 52 -5.459 7.032 9.239 80 HG22 THR 52 1HG2 THR 52 -6.565 7.759 8.070 81 HG23 THR 52 2HG2 THR 52 -6.600 6.018 8.355 82 H VAL 53 H VAL 53 -8.406 6.070 7.128 83 HA VAL 53 HA VAL 53 -10.150 3.725 7.517 84 HB VAL 53 HB VAL 53 -8.878 4.657 4.904 85 HG11 VAL 53 1HG1 VAL 53 -9.446 2.254 4.938 86 HG12 VAL 53 2HG1 VAL 53 -10.528 3.119 3.850 87 HG13 VAL 53 3HG1 VAL 53 -11.096 2.628 5.448 88 HG21 VAL 53 3HG2 VAL 53 -11.098 5.570 4.294 89 HG22 VAL 53 1HG2 VAL 53 -10.446 6.382 5.718 90 HG23 VAL 53 2HG2 VAL 53 -11.716 5.169 5.900 91 H ARG 54 H ARG 54 -9.009 2.237 8.545 92 HA ARG 54 HA ARG 54 -6.282 1.498 7.794 93 HB2 ARG 54 2HB ARG 54 -6.801 1.461 10.185 94 HB3 ARG 54 1HB ARG 54 -8.214 0.453 9.915 95 HG2 ARG 54 2HG ARG 54 -6.399 -0.860 10.879 96 HG3 ARG 54 1HG ARG 54 -6.778 -1.425 9.250 97 HD2 ARG 54 2HD ARG 54 -4.395 -1.408 9.484 98 HD3 ARG 54 1HD ARG 54 -4.820 -0.080 8.407 99 HE ARG 54 HE ARG 54 -4.625 0.793 11.116 100 HH11 ARG 54 1HH1 ARG 54 -2.667 0.131 8.267 101 HH12 ARG 54 2HH1 ARG 54 -1.291 0.994 8.873 102 HH21 ARG 54 1HH2 ARG 54 -2.842 1.976 11.841 103 HH22 ARG 54 2HH2 ARG 54 -1.401 2.053 10.879 104 H LEU 55 H LEU 55 -5.888 -0.080 6.337 105 HA LEU 55 HA LEU 55 -7.967 -2.080 5.660 106 HB2 LEU 55 2HB LEU 55 -7.590 0.001 4.000 107 HB3 LEU 55 1HB LEU 55 -6.202 -0.923 3.476 108 HG LEU 55 HG LEU 55 -9.109 -1.838 3.313 109 HD11 LEU 55 1HD1 LEU 55 -7.242 -0.926 1.106 110 HD12 LEU 55 2HD1 LEU 55 -8.631 -0.040 1.741 111 HD13 LEU 55 3HD1 LEU 55 -8.877 -1.561 0.890 112 HD21 LEU 55 3HD2 LEU 55 -7.653 -3.788 3.585 113 HD22 LEU 55 1HD2 LEU 55 -6.633 -3.243 2.254 114 HD23 LEU 55 2HD2 LEU 55 -8.305 -3.727 1.950 115 H PHE 56 H PHE 56 -7.135 -4.122 5.695 116 HA PHE 56 HA PHE 56 -4.201 -4.546 5.810 117 HB2 PHE 56 2HB PHE 56 -6.415 -6.456 6.700 118 HB3 PHE 56 1HB PHE 56 -4.692 -6.647 6.970 119 HD1 PHE 56 HD2 PHE 56 -7.718 -4.753 8.002 120 HD2 PHE 56 HD1 PHE 56 -3.626 -5.622 8.887 121 HE1 PHE 56 HE2 PHE 56 -7.977 -3.747 10.229 122 HE2 PHE 56 HE1 PHE 56 -3.898 -4.608 11.108 123 HZ PHE 56 HZ PHE 56 -6.068 -3.670 11.780 124 H GLY 57 H GLY 57 -3.321 -5.940 4.259 125 HA2 GLY 57 2HA GLY 57 -4.778 -7.834 2.728 126 HA3 GLY 57 1HA GLY 57 -4.597 -6.347 1.796 127 H THR 58 H THR 58 -3.434 -7.966 0.404 128 HA THR 58 HA THR 58 -0.559 -8.123 1.160 129 HB THR 58 HB THR 58 -2.128 -10.104 -0.559 130 HG1 THR 58 HG1 THR 58 -2.005 -9.834 2.097 131 HG21 THR 58 3HG2 THR 58 -0.147 -11.552 -0.324 132 HG22 THR 58 1HG2 THR 58 0.683 -10.287 0.584 133 HG23 THR 58 2HG2 THR 58 0.290 -10.038 -1.119 134 H VAL 59 H VAL 59 0.924 -7.587 -0.423 135 HA VAL 59 HA VAL 59 0.067 -5.865 -2.585 136 HB VAL 59 HB VAL 59 2.890 -6.861 -1.948 137 HG11 VAL 59 1HG1 VAL 59 1.990 -4.441 -3.570 138 HG12 VAL 59 2HG1 VAL 59 2.681 -5.922 -4.234 139 HG13 VAL 59 3HG1 VAL 59 3.663 -4.873 -3.208 140 HG21 VAL 59 3HG2 VAL 59 3.220 -4.745 -0.731 141 HG22 VAL 59 1HG2 VAL 59 1.940 -5.712 0.007 142 HG23 VAL 59 2HG2 VAL 59 1.528 -4.317 -0.995 143 H ALA 60 H ALA 60 -0.522 -6.667 -4.516 144 HA ALA 60 HA ALA 60 -0.011 -9.331 -5.406 145 HB1 ALA 60 3HB ALA 60 -2.033 -8.106 -6.097 146 HB2 ALA 60 1HB ALA 60 -1.102 -8.622 -7.506 147 HB3 ALA 60 2HB ALA 60 -1.048 -6.936 -6.979 148 H ALA 61 H ALA 61 1.448 -10.080 -6.926 149 HA ALA 61 HA ALA 61 3.954 -8.759 -7.233 150 HB1 ALA 61 3HB ALA 61 3.751 -11.216 -7.194 151 HB2 ALA 61 1HB ALA 61 4.569 -10.667 -8.658 152 HB3 ALA 61 2HB ALA 61 2.878 -11.179 -8.727 153 H ASP 62 H ASP 62 1.218 -9.366 -9.365 154 HA ASP 62 HA ASP 62 2.248 -7.796 -11.565 155 HB2 ASP 62 2HB ASP 62 -0.565 -8.906 -11.100 156 HB3 ASP 62 1HB ASP 62 0.035 -8.209 -12.603 157 H GLY 63 H GLY 63 2.279 -5.649 -11.471 158 HA2 GLY 63 2HA GLY 63 1.221 -3.542 -11.552 159 HA3 GLY 63 1HA GLY 63 -0.092 -4.154 -10.558 160 H LEU 64 H LEU 64 3.428 -3.685 -10.365 161 HA LEU 64 HA LEU 64 3.094 -2.171 -7.848 162 HB2 LEU 64 2HB LEU 64 3.961 -4.664 -7.607 163 HB3 LEU 64 1HB LEU 64 5.472 -4.034 -8.233 164 HG LEU 64 HG LEU 64 4.105 -3.106 -5.659 165 HD11 LEU 64 1HD1 LEU 64 4.976 -5.368 -5.429 166 HD12 LEU 64 2HD1 LEU 64 5.928 -4.237 -4.474 167 HD13 LEU 64 3HD1 LEU 64 6.565 -4.850 -6.004 168 HD21 LEU 64 3HD2 LEU 64 6.826 -2.304 -6.759 169 HD22 LEU 64 1HD2 LEU 64 6.190 -1.874 -5.167 170 HD23 LEU 64 2HD2 LEU 64 5.405 -1.268 -6.621 171 H THR 65 H THR 65 3.498 -0.192 -8.643 172 HA THR 65 HA THR 65 5.800 0.276 -10.447 173 HB THR 65 HB THR 65 3.367 2.091 -10.097 174 HG1 THR 65 HG1 THR 65 3.674 -0.260 -11.485 175 HG21 THR 65 3HG2 THR 65 5.397 3.174 -11.059 176 HG22 THR 65 1HG2 THR 65 4.091 3.052 -12.242 177 HG23 THR 65 2HG2 THR 65 5.451 1.930 -12.312 178 H MET 66 H MET 66 7.483 1.188 -9.450 179 HA MET 66 HA MET 66 7.252 2.587 -6.897 180 HB2 MET 66 2HB MET 66 9.649 1.800 -8.612 181 HB3 MET 66 1HB MET 66 9.793 2.701 -7.109 182 HG2 MET 66 2HG MET 66 8.669 -0.099 -7.382 183 HG3 MET 66 1HG MET 66 10.279 0.324 -6.794 184 HE1 MET 66 3HE MET 66 9.304 2.293 -3.453 185 HE2 MET 66 1HE MET 66 9.414 3.044 -5.053 186 HE3 MET 66 2HE MET 66 10.628 1.870 -4.531 187 H LEU 67 H LEU 67 7.722 4.776 -6.590 188 HA LEU 67 HA LEU 67 7.619 6.538 -8.916 189 HB2 LEU 67 2HB LEU 67 7.743 7.187 -5.937 190 HB3 LEU 67 1HB LEU 67 7.540 8.373 -7.222 191 HG LEU 67 HG LEU 67 5.539 6.196 -6.452 192 HD11 LEU 67 1HD1 LEU 67 4.087 8.054 -5.752 193 HD12 LEU 67 2HD1 LEU 67 5.360 9.214 -6.150 194 HD13 LEU 67 3HD1 LEU 67 5.600 8.050 -4.846 195 HD21 LEU 67 3HD2 LEU 67 5.472 6.548 -8.871 196 HD22 LEU 67 1HD2 LEU 67 5.326 8.293 -8.644 197 HD23 LEU 67 2HD2 LEU 67 4.028 7.218 -8.120 198 H ASP 68 H ASP 68 9.352 7.403 -9.839 199 HA ASP 68 HA ASP 68 12.020 7.206 -8.577 200 HB2 ASP 68 2HB ASP 68 11.164 7.465 -11.496 201 HB3 ASP 68 1HB ASP 68 12.822 7.767 -10.992 202 H GLY 69 H GLY 69 13.234 9.023 -8.249 203 HA2 GLY 69 2HA GLY 69 13.835 11.261 -8.199 204 HA3 GLY 69 1HA GLY 69 12.434 11.668 -9.177 205 H ALA 70 H ALA 70 11.427 9.764 -6.608 206 HA ALA 70 HA ALA 70 11.270 11.669 -4.471 207 HB1 ALA 70 3HB ALA 70 8.827 12.049 -4.492 208 HB2 ALA 70 1HB ALA 70 8.689 11.146 -6.010 209 HB3 ALA 70 2HB ALA 70 9.568 12.673 -5.966 210 HA PRO 71 HA PRO 71 10.620 7.693 -2.392 211 HB2 PRO 71 2HB PRO 71 9.850 8.611 0.094 212 HB3 PRO 71 1HB PRO 71 11.527 8.617 -0.469 213 HG2 PRO 71 2HG PRO 71 9.525 10.873 -0.457 214 HG3 PRO 71 1HG PRO 71 11.236 10.898 0.028 215 HD2 PRO 71 2HD PRO 71 10.433 11.808 -2.388 216 HD3 PRO 71 1HD PRO 71 11.995 10.986 -2.180 217 H GLY 72 H GLY 72 8.921 6.581 -3.131 218 HA2 GLY 72 2HA GLY 72 6.501 6.392 -1.806 219 HA3 GLY 72 1HA GLY 72 6.209 7.430 -3.203 220 H VAL 73 H VAL 73 4.808 5.233 -3.148 221 HA VAL 73 HA VAL 73 5.618 3.718 -5.433 222 HB VAL 73 HB VAL 73 6.811 2.427 -3.721 223 HG11 VAL 73 1HG1 VAL 73 5.673 1.303 -1.833 224 HG12 VAL 73 2HG1 VAL 73 4.160 2.106 -2.261 225 HG13 VAL 73 3HG1 VAL 73 5.539 3.060 -1.710 226 HG21 VAL 73 3HG2 VAL 73 4.323 0.920 -4.614 227 HG22 VAL 73 1HG2 VAL 73 5.857 0.194 -4.131 228 HG23 VAL 73 2HG2 VAL 73 5.769 1.177 -5.594 229 H ARG 74 H ARG 74 3.840 3.141 -6.556 230 HA ARG 74 HA ARG 74 1.238 2.889 -5.195 231 HB2 ARG 74 2HB ARG 74 1.300 4.477 -7.128 232 HB3 ARG 74 1HB ARG 74 1.810 3.155 -8.179 233 HG2 ARG 74 2HG ARG 74 -0.322 1.998 -7.812 234 HG3 ARG 74 1HG ARG 74 -0.828 3.240 -6.658 235 HD2 ARG 74 2HD ARG 74 -0.326 3.622 -9.635 236 HD3 ARG 74 1HD ARG 74 -1.902 3.607 -8.824 237 HE ARG 74 HE ARG 74 0.103 5.622 -8.035 238 HH11 ARG 74 1HH1 ARG 74 -2.942 4.971 -9.627 239 HH12 ARG 74 2HH1 ARG 74 -3.402 6.641 -9.682 240 HH21 ARG 74 1HH2 ARG 74 -0.486 7.792 -8.119 241 HH22 ARG 74 2HH2 ARG 74 -2.005 8.244 -8.825 242 H PHE 75 H PHE 75 0.201 0.913 -5.253 243 HA PHE 75 HA PHE 75 1.324 -1.333 -6.743 244 HB2 PHE 75 2HB PHE 75 1.650 -2.751 -4.732 245 HB3 PHE 75 1HB PHE 75 2.732 -1.368 -4.733 246 HD1 PHE 75 HD2 PHE 75 2.262 0.583 -3.169 247 HD2 PHE 75 HD1 PHE 75 0.077 -3.094 -2.914 248 HE1 PHE 75 HE2 PHE 75 1.549 1.154 -0.883 249 HE2 PHE 75 HE1 PHE 75 -0.630 -2.505 -0.635 250 HZ PHE 75 HZ PHE 75 0.107 -0.392 0.390 251 H ARG 76 H ARG 76 -0.056 -3.231 -6.659 252 HA ARG 76 HA ARG 76 -2.874 -2.423 -6.486 253 HB2 ARG 76 2HB ARG 76 -1.923 -3.394 -8.624 254 HB3 ARG 76 1HB ARG 76 -1.642 -4.907 -7.762 255 HG2 ARG 76 2HG ARG 76 -4.096 -5.063 -7.326 256 HG3 ARG 76 1HG ARG 76 -4.338 -3.596 -8.281 257 HD2 ARG 76 2HD ARG 76 -4.822 -5.608 -9.611 258 HD3 ARG 76 1HD ARG 76 -3.428 -4.746 -10.269 259 HE ARG 76 HE ARG 76 -2.129 -6.475 -8.812 260 HH11 ARG 76 1HH1 ARG 76 -4.977 -7.179 -10.738 261 HH12 ARG 76 2HH1 ARG 76 -4.543 -8.838 -10.974 262 HH21 ARG 76 1HH2 ARG 76 -1.582 -8.643 -9.147 263 HH22 ARG 76 2HH2 ARG 76 -2.639 -9.664 -10.059 264 H LEU 77 H LEU 77 -3.382 -2.654 -4.378 265 HA LEU 77 HA LEU 77 -2.524 -4.846 -2.713 266 HB2 LEU 77 2HB LEU 77 -2.899 -2.530 -1.832 267 HB3 LEU 77 1HB LEU 77 -4.606 -2.677 -2.210 268 HG LEU 77 HG LEU 77 -4.707 -4.638 -0.578 269 HD11 LEU 77 1HD1 LEU 77 -1.939 -3.668 0.180 270 HD12 LEU 77 2HD1 LEU 77 -2.342 -5.222 -0.555 271 HD13 LEU 77 3HD1 LEU 77 -2.906 -4.847 1.070 272 HD21 LEU 77 3HD2 LEU 77 -5.526 -2.417 0.060 273 HD22 LEU 77 1HD2 LEU 77 -3.906 -1.958 0.589 274 HD23 LEU 77 2HD2 LEU 77 -4.783 -3.238 1.431 275 H GLU 78 H GLU 78 -3.688 -6.610 -2.167 276 HA GLU 78 HA GLU 78 -6.328 -7.102 -3.391 277 HB2 GLU 78 2HB GLU 78 -4.397 -9.121 -2.144 278 HB3 GLU 78 1HB GLU 78 -5.880 -9.482 -3.029 279 HG2 GLU 78 2HG GLU 78 -4.815 -8.408 -5.065 280 HG3 GLU 78 1HG GLU 78 -3.310 -8.312 -4.152 281 H ASP 79 H ASP 79 -7.936 -6.584 -2.010 282 HA ASP 79 HA ASP 79 -7.757 -6.188 0.769 283 HB2 ASP 79 2HB ASP 79 -9.594 -5.271 -0.655 284 HB3 ASP 79 1HB ASP 79 -10.216 -6.894 -0.896 285 H LYS 80 H LYS 80 -7.947 -7.552 2.512 286 HA LYS 80 HA LYS 80 -7.123 -10.218 2.138 287 HB2 LYS 80 2HB LYS 80 -7.163 -10.412 4.584 288 HB3 LYS 80 1HB LYS 80 -6.443 -8.885 4.087 289 HG2 LYS 80 2HG LYS 80 -8.453 -7.660 4.694 290 HG3 LYS 80 1HG LYS 80 -9.328 -9.157 5.023 291 HD2 LYS 80 2HD LYS 80 -6.928 -8.114 6.582 292 HD3 LYS 80 1HD LYS 80 -8.611 -8.039 7.110 293 HE2 LYS 80 2HE LYS 80 -8.693 -10.516 7.144 294 HE3 LYS 80 1HE LYS 80 -7.011 -10.578 6.617 295 HZ1 LYS 80 3HZ LYS 80 -7.156 -10.894 8.953 296 HZ2 LYS 80 1HZ LYS 80 -8.016 -9.455 9.161 297 HZ3 LYS 80 2HZ LYS 80 -6.410 -9.412 8.649 298 H ASP 81 H ASP 81 -10.337 -8.899 2.654 299 HA ASP 81 HA ASP 81 -11.512 -11.544 3.204 300 HB2 ASP 81 2HB ASP 81 -12.723 -8.741 3.196 301 HB3 ASP 81 1HB ASP 81 -13.694 -10.198 3.390 302 H ASN 82 H ASN 82 -11.278 -9.149 0.637 303 HA ASN 82 HA ASN 82 -12.679 -10.967 -1.210 304 HB2 ASN 82 2HB ASN 82 -14.356 -9.295 -0.390 305 HB3 ASN 82 1HB ASN 82 -13.332 -7.994 -0.987 306 HD21 ASN 82 1HD2 ASN 82 -14.307 -11.136 -2.388 307 HD22 ASN 82 2HD2 ASN 82 -14.992 -10.462 -3.824 308 H THR 83 H THR 83 -10.810 -11.471 -2.271 309 HA THR 83 HA THR 83 -8.817 -9.617 -3.128 310 HB THR 83 HB THR 83 -8.222 -11.959 -2.802 311 HG1 THR 83 HG1 THR 83 -7.016 -10.808 -4.358 312 HG21 THR 83 3HG2 THR 83 -10.329 -13.065 -3.472 313 HG22 THR 83 1HG2 THR 83 -8.953 -13.751 -4.341 314 HG23 THR 83 2HG2 THR 83 -10.035 -12.620 -5.154 315 H SER 84 H SER 84 -11.901 -10.516 -4.432 316 HA SER 84 HA SER 84 -11.726 -9.878 -7.134 317 HB2 SER 84 2HB SER 84 -14.062 -9.155 -5.313 318 HB3 SER 84 1HB SER 84 -14.121 -9.469 -7.057 319 HG SER 84 HG SER 84 -13.365 -11.614 -6.546 320 H LYS 85 H LYS 85 -11.618 -7.793 -4.361 321 HA LYS 85 HA LYS 85 -11.574 -5.343 -6.008 322 HB2 LYS 85 2HB LYS 85 -11.697 -5.696 -2.984 323 HB3 LYS 85 1HB LYS 85 -11.647 -4.139 -3.808 324 HG2 LYS 85 2HG LYS 85 -13.827 -4.633 -4.873 325 HG3 LYS 85 1HG LYS 85 -13.868 -6.205 -4.073 326 HD2 LYS 85 2HD LYS 85 -13.908 -3.496 -2.682 327 HD3 LYS 85 1HD LYS 85 -15.298 -4.557 -2.924 328 HE2 LYS 85 2HE LYS 85 -14.169 -6.297 -1.544 329 HE3 LYS 85 1HE LYS 85 -12.843 -5.171 -1.250 330 HZ1 LYS 85 3HZ LYS 85 -14.400 -5.183 0.566 331 HZ2 LYS 85 1HZ LYS 85 -15.671 -4.769 -0.467 332 HZ3 LYS 85 2HZ LYS 85 -14.409 -3.674 -0.194 333 H THR 86 H THR 86 -9.508 -6.061 -6.937 334 HA THR 86 HA THR 86 -7.175 -5.570 -5.235 335 HB THR 86 HB THR 86 -5.846 -5.829 -7.369 336 HG1 THR 86 HG1 THR 86 -8.000 -6.990 -8.682 337 HG21 THR 86 3HG2 THR 86 -7.687 -8.179 -6.793 338 HG22 THR 86 1HG2 THR 86 -6.235 -7.775 -5.875 339 HG23 THR 86 2HG2 THR 86 -6.103 -8.249 -7.567 340 H VAL 87 H VAL 87 -7.117 -3.536 -4.624 341 HA VAL 87 HA VAL 87 -7.845 -1.318 -6.441 342 HB VAL 87 HB VAL 87 -7.595 -1.409 -3.389 343 HG11 VAL 87 1HG1 VAL 87 -8.629 0.841 -3.352 344 HG12 VAL 87 2HG1 VAL 87 -8.587 0.897 -5.114 345 HG13 VAL 87 3HG1 VAL 87 -7.079 0.863 -4.198 346 HG21 VAL 87 3HG2 VAL 87 -10.069 -1.228 -3.365 347 HG22 VAL 87 1HG2 VAL 87 -9.532 -2.697 -4.185 348 HG23 VAL 87 2HG2 VAL 87 -10.091 -1.312 -5.128 349 H TRP 88 H TRP 88 -6.380 0.359 -6.806 350 HA TRP 88 HA TRP 88 -3.561 -0.197 -6.381 351 HB2 TRP 88 2HB TRP 88 -4.983 2.141 -7.749 352 HB3 TRP 88 1HB TRP 88 -3.239 1.882 -7.733 353 HD1 TRP 88 HD1 TRP 88 -6.400 0.721 -9.512 354 HE1 TRP 88 HE1 TRP 88 -5.757 -0.861 -11.425 355 HE3 TRP 88 HE3 TRP 88 -1.445 0.094 -8.411 356 HZ2 TRP 88 HZ2 TRP 88 -3.477 -2.205 -12.352 357 HZ3 TRP 88 HZ3 TRP 88 -0.099 -1.357 -9.878 358 HH2 TRP 88 HH2 TRP 88 -1.097 -2.480 -11.808 359 H VAL 89 H VAL 89 -2.287 0.913 -4.924 360 HA VAL 89 HA VAL 89 -3.597 2.826 -3.095 361 HB VAL 89 HB VAL 89 -1.638 0.605 -2.342 362 HG11 VAL 89 1HG1 VAL 89 -1.972 1.370 0.011 363 HG12 VAL 89 2HG1 VAL 89 -2.922 2.735 -0.578 364 HG13 VAL 89 3HG1 VAL 89 -1.207 2.616 -0.983 365 HG21 VAL 89 3HG2 VAL 89 -3.510 -0.329 -1.025 366 HG22 VAL 89 1HG2 VAL 89 -3.924 -0.242 -2.740 367 HG23 VAL 89 2HG2 VAL 89 -4.571 0.954 -1.612 368 H LEU 90 H LEU 90 -2.675 4.671 -3.231 369 HA LEU 90 HA LEU 90 0.079 5.033 -4.186 370 HB2 LEU 90 2HB LEU 90 -1.720 6.432 -5.200 371 HB3 LEU 90 1HB LEU 90 -2.111 7.076 -3.613 372 HG LEU 90 HG LEU 90 0.134 8.161 -3.495 373 HD11 LEU 90 1HD1 LEU 90 0.527 7.120 -6.322 374 HD12 LEU 90 2HD1 LEU 90 1.429 6.627 -4.885 375 HD13 LEU 90 3HD1 LEU 90 1.575 8.274 -5.491 376 HD21 LEU 90 3HD2 LEU 90 -0.309 9.942 -5.125 377 HD22 LEU 90 1HD2 LEU 90 -1.802 9.429 -4.339 378 HD23 LEU 90 2HD2 LEU 90 -1.444 8.901 -5.988 379 H TYR 91 H TYR 91 1.161 4.278 -2.391 380 HA TYR 91 HA TYR 91 0.997 5.806 0.128 381 HB2 TYR 91 2HB TYR 91 1.319 3.425 0.522 382 HB3 TYR 91 1HB TYR 91 2.664 3.354 -0.620 383 HD1 TYR 91 HD1 TYR 91 1.670 5.181 2.531 384 HD2 TYR 91 HD2 TYR 91 4.880 3.449 0.289 385 HE1 TYR 91 HE1 TYR 91 3.235 5.724 4.346 386 HE2 TYR 91 HE2 TYR 91 6.439 3.990 2.108 387 HH TYR 91 HH TYR 91 6.645 5.464 3.979 388 H LYS 92 H LYS 92 2.103 7.675 0.146 389 HA LYS 92 HA LYS 92 4.698 7.839 -1.285 390 HB2 LYS 92 2HB LYS 92 2.743 10.079 -0.602 391 HB3 LYS 92 1HB LYS 92 4.361 10.335 -1.263 392 HG2 LYS 92 2HG LYS 92 3.705 9.006 -3.280 393 HG3 LYS 92 1HG LYS 92 2.066 8.870 -2.631 394 HD2 LYS 92 2HD LYS 92 3.508 11.439 -3.398 395 HD3 LYS 92 1HD LYS 92 2.223 10.656 -4.319 396 HE2 LYS 92 2HE LYS 92 0.641 11.065 -2.465 397 HE3 LYS 92 1HE LYS 92 1.928 11.826 -1.530 398 HZ1 LYS 92 3HZ LYS 92 0.607 13.488 -2.568 399 HZ2 LYS 92 1HZ LYS 92 0.793 12.785 -4.085 400 HZ3 LYS 92 2HZ LYS 92 2.121 13.488 -3.318 401 H GLY 93 H GLY 93 6.427 8.637 -0.169 402 HA2 GLY 93 2HA GLY 93 7.242 9.714 1.964 403 HA3 GLY 93 1HA GLY 93 6.227 8.535 2.797 404 H ALA 94 H ALA 94 8.478 8.101 3.738 405 HA ALA 94 HA ALA 94 10.490 6.832 2.216 406 HB1 ALA 94 3HB ALA 94 10.922 7.904 4.388 407 HB2 ALA 94 1HB ALA 94 11.431 6.213 4.417 408 HB3 ALA 94 2HB ALA 94 9.924 6.699 5.203 409 H VAL 95 H VAL 95 10.166 4.970 1.169 410 HA VAL 95 HA VAL 95 8.244 2.973 1.967 411 HB VAL 95 HB VAL 95 10.334 2.854 -0.268 412 HG11 VAL 95 1HG1 VAL 95 7.831 1.159 0.125 413 HG12 VAL 95 2HG1 VAL 95 9.497 0.609 0.324 414 HG13 VAL 95 3HG1 VAL 95 8.912 1.089 -1.271 415 HG21 VAL 95 3HG2 VAL 95 8.513 3.535 -1.811 416 HG22 VAL 95 1HG2 VAL 95 8.828 4.778 -0.597 417 HG23 VAL 95 2HG2 VAL 95 7.418 3.729 -0.439 418 HA PRO 96 HA PRO 96 11.323 0.770 4.542 419 HB2 PRO 96 2HB PRO 96 9.750 -1.391 5.202 420 HB3 PRO 96 1HB PRO 96 9.596 0.188 5.987 421 HG2 PRO 96 2HG PRO 96 7.952 -0.972 3.734 422 HG3 PRO 96 1HG PRO 96 7.401 -0.121 5.194 423 HD2 PRO 96 2HD PRO 96 7.597 1.152 2.802 424 HD3 PRO 96 1HD PRO 96 7.951 1.991 4.330 425 H ASP 97 H ASP 97 12.761 -0.881 4.126 426 HA ASP 97 HA ASP 97 12.982 -1.978 1.502 427 HB2 ASP 97 2HB ASP 97 14.502 -2.926 3.977 428 HB3 ASP 97 1HB ASP 97 14.992 -3.112 2.298 429 H THR 98 H THR 98 11.319 -3.018 4.273 430 HA THR 98 HA THR 98 11.216 -5.833 3.764 431 HB THR 98 HB THR 98 9.369 -5.734 5.525 432 HG1 THR 98 HG1 THR 98 8.807 -3.807 6.354 433 HG21 THR 98 3HG2 THR 98 11.720 -6.139 6.188 434 HG22 THR 98 1HG2 THR 98 10.875 -5.166 7.392 435 HG23 THR 98 2HG2 THR 98 12.001 -4.397 6.270 436 H PHE 99 H PHE 99 9.502 -3.097 2.561 437 HA PHE 99 HA PHE 99 7.070 -4.342 1.733 438 HB2 PHE 99 2HB PHE 99 7.188 -1.909 1.929 439 HB3 PHE 99 1HB PHE 99 8.478 -1.826 0.736 440 HD1 PHE 99 HD1 PHE 99 4.856 -2.602 1.182 441 HD2 PHE 99 HD2 PHE 99 7.973 -1.725 -1.609 442 HE1 PHE 99 HE1 PHE 99 3.198 -2.371 -0.613 443 HE2 PHE 99 HE2 PHE 99 6.304 -1.507 -3.393 444 HZ PHE 99 HZ PHE 99 3.920 -1.833 -2.900 445 H LYS 100 H LYS 100 6.702 -5.655 0.031 446 HA LYS 100 HA LYS 100 8.420 -5.791 -2.298 447 HB2 LYS 100 2HB LYS 100 8.956 -8.231 -1.915 448 HB3 LYS 100 1HB LYS 100 9.758 -7.137 -0.796 449 HG2 LYS 100 2HG LYS 100 8.373 -7.769 1.019 450 HG3 LYS 100 1HG LYS 100 7.172 -8.521 -0.034 451 HD2 LYS 100 2HD LYS 100 10.006 -9.571 0.367 452 HD3 LYS 100 1HD LYS 100 8.586 -10.166 1.237 453 HE2 LYS 100 2HE LYS 100 7.574 -10.911 -0.864 454 HE3 LYS 100 1HE LYS 100 8.910 -10.221 -1.789 455 HZ1 LYS 100 3HZ LYS 100 9.196 -12.566 -1.557 456 HZ2 LYS 100 1HZ LYS 100 9.072 -12.476 0.125 457 HZ3 LYS 100 2HZ LYS 100 10.397 -11.784 -0.662 458 HA PRO 101 HA PRO 101 4.626 -7.615 -4.047 459 HB2 PRO 101 2HB PRO 101 5.567 -9.344 -5.963 460 HB3 PRO 101 1HB PRO 101 5.587 -7.587 -6.165 461 HG2 PRO 101 2HG PRO 101 7.822 -9.419 -5.306 462 HG3 PRO 101 1HG PRO 101 7.859 -8.087 -6.482 463 HD2 PRO 101 2HD PRO 101 8.750 -7.776 -3.930 464 HD3 PRO 101 1HD PRO 101 7.971 -6.448 -4.819 465 H GLY 102 H GLY 102 3.555 -8.868 -2.591 466 HA2 GLY 102 2HA GLY 102 2.740 -11.176 -2.390 467 HA3 GLY 102 1HA GLY 102 4.410 -11.697 -2.235 468 H VAL 103 H VAL 103 4.459 -8.940 -0.512 469 HA VAL 103 HA VAL 103 4.185 -10.316 2.029 470 HB VAL 103 HB VAL 103 6.051 -8.718 1.604 471 HG11 VAL 103 1HG1 VAL 103 3.973 -6.512 1.794 472 HG12 VAL 103 2HG1 VAL 103 4.816 -6.990 0.322 473 HG13 VAL 103 3HG1 VAL 103 5.724 -6.297 1.666 474 HG21 VAL 103 3HG2 VAL 103 5.999 -7.615 3.807 475 HG22 VAL 103 1HG2 VAL 103 5.418 -9.281 3.903 476 HG23 VAL 103 2HG2 VAL 103 4.270 -7.943 3.934 477 H GLU 104 H GLU 104 2.624 -10.025 3.590 478 HA GLU 104 HA GLU 104 0.185 -8.597 3.055 479 HB2 GLU 104 2HB GLU 104 1.240 -9.897 5.603 480 HB3 GLU 104 1HB GLU 104 -0.376 -9.206 5.436 481 HG2 GLU 104 2HG GLU 104 -0.862 -10.829 3.630 482 HG3 GLU 104 1HG GLU 104 0.738 -11.542 3.845 483 H VAL 105 H VAL 105 0.193 -6.470 3.048 484 HA VAL 105 HA VAL 105 1.751 -4.933 5.041 485 HB VAL 105 HB VAL 105 1.364 -2.946 3.584 486 HG11 VAL 105 1HG1 VAL 105 2.704 -5.262 2.147 487 HG12 VAL 105 2HG1 VAL 105 3.448 -4.207 3.350 488 HG13 VAL 105 3HG1 VAL 105 2.945 -3.546 1.794 489 HG21 VAL 105 3HG2 VAL 105 0.128 -4.901 1.602 490 HG22 VAL 105 1HG2 VAL 105 0.503 -3.207 1.273 491 HG23 VAL 105 2HG2 VAL 105 -0.730 -3.624 2.466 492 H ILE 106 H ILE 106 0.790 -3.223 6.082 493 HA ILE 106 HA ILE 106 -2.148 -3.229 6.389 494 HB ILE 106 HB ILE 106 -0.012 -2.776 8.543 495 HG12 ILE 106 2HG1 ILE 106 -1.880 -5.167 8.137 496 HG13 ILE 106 1HG1 ILE 106 -0.126 -5.172 7.975 497 HG21 ILE 106 1HG2 ILE 106 -1.858 -2.680 10.154 498 HG22 ILE 106 2HG2 ILE 106 -3.031 -2.883 8.849 499 HG23 ILE 106 3HG2 ILE 106 -2.033 -1.433 8.924 500 HD11 ILE 106 3HD1 ILE 106 -0.784 -6.200 10.048 501 HD12 ILE 106 1HD1 ILE 106 -1.692 -4.767 10.523 502 HD13 ILE 106 2HD1 ILE 106 0.068 -4.696 10.392 503 H ILE 107 H ILE 107 -2.724 -1.413 5.325 504 HA ILE 107 HA ILE 107 -0.971 0.972 5.336 505 HB ILE 107 HB ILE 107 -2.219 1.761 3.367 506 HG12 ILE 107 2HG1 ILE 107 -3.837 -0.831 3.534 507 HG13 ILE 107 1HG1 ILE 107 -4.457 0.767 3.932 508 HG21 ILE 107 1HG2 ILE 107 -1.499 0.057 1.721 509 HG22 ILE 107 2HG2 ILE 107 -1.297 -1.118 3.024 510 HG23 ILE 107 3HG2 ILE 107 -0.276 0.321 2.967 511 HD11 ILE 107 3HD1 ILE 107 -5.214 0.074 1.760 512 HD12 ILE 107 1HD1 ILE 107 -3.557 -0.178 1.213 513 HD13 ILE 107 2HD1 ILE 107 -4.125 1.450 1.591 514 H GLU 108 H GLU 108 -1.903 3.052 5.608 515 HA GLU 108 HA GLU 108 -4.480 3.258 7.026 516 HB2 GLU 108 2HB GLU 108 -2.683 2.982 8.736 517 HB3 GLU 108 1HB GLU 108 -1.783 4.308 8.017 518 HG2 GLU 108 2HG GLU 108 -3.694 5.825 8.591 519 HG3 GLU 108 1HG GLU 108 -4.458 4.470 9.424 520 H GLY 109 H GLY 109 -5.570 4.901 6.057 521 HA2 GLY 109 2HA GLY 109 -4.653 7.497 5.638 522 HA3 GLY 109 1HA GLY 109 -4.426 6.637 4.112 523 H GLY 110 H GLY 110 -6.103 6.957 2.745 524 HA2 GLY 110 2HA GLY 110 -8.786 6.314 3.520 525 HA3 GLY 110 1HA GLY 110 -8.565 8.052 3.326 526 H LEU 111 H LEU 111 -10.342 6.692 1.785 527 HA LEU 111 HA LEU 111 -9.236 7.139 -0.907 528 HB2 LEU 111 2HB LEU 111 -9.280 4.696 -0.574 529 HB3 LEU 111 1HB LEU 111 -10.950 4.770 -0.048 530 HG LEU 111 HG LEU 111 -11.642 5.458 -2.348 531 HD11 LEU 111 1HD1 LEU 111 -10.054 5.317 -4.216 532 HD12 LEU 111 2HD1 LEU 111 -8.730 5.049 -3.078 533 HD13 LEU 111 3HD1 LEU 111 -9.604 6.584 -3.074 534 HD21 LEU 111 3HD2 LEU 111 -11.287 3.281 -3.446 535 HD22 LEU 111 1HD2 LEU 111 -11.701 3.077 -1.742 536 HD23 LEU 111 2HD2 LEU 111 -10.028 2.882 -2.273 537 H ALA 112 H ALA 112 -10.562 8.285 -2.140 538 HA ALA 112 HA ALA 112 -13.020 9.402 -0.955 539 HB1 ALA 112 3HB ALA 112 -11.413 10.995 -1.923 540 HB2 ALA 112 1HB ALA 112 -12.952 11.051 -2.788 541 HB3 ALA 112 2HB ALA 112 -11.567 10.221 -3.499 542 HA PRO 113 HA PRO 113 -15.538 6.485 -3.449 543 HB2 PRO 113 2HB PRO 113 -17.748 8.449 -2.877 544 HB3 PRO 113 1HB PRO 113 -17.690 6.701 -2.595 545 HG2 PRO 113 2HG PRO 113 -17.467 8.392 -0.542 546 HG3 PRO 113 1HG PRO 113 -16.464 6.925 -0.607 547 HD2 PRO 113 2HD PRO 113 -15.701 9.774 -1.298 548 HD3 PRO 113 1HD PRO 113 -14.806 8.570 -0.337 549 H GLY 114 H GLY 114 -14.506 6.940 -5.412 550 HA2 GLY 114 2HA GLY 114 -15.506 7.832 -7.678 551 HA3 GLY 114 1HA GLY 114 -15.149 9.392 -6.926 552 H GLU 115 H GLU 115 -12.839 8.623 -5.518 553 HA GLU 115 HA GLU 115 -10.767 8.761 -7.470 554 HB2 GLU 115 2HB GLU 115 -10.574 9.795 -5.227 555 HB3 GLU 115 1HB GLU 115 -10.658 8.212 -4.474 556 HG2 GLU 115 2HG GLU 115 -8.494 7.597 -5.412 557 HG3 GLU 115 1HG GLU 115 -8.407 9.134 -6.281 558 H ASP 116 H ASP 116 -9.194 7.236 -7.945 559 HA ASP 116 HA ASP 116 -10.096 4.477 -7.977 560 HB2 ASP 116 2HB ASP 116 -9.261 5.522 -10.042 561 HB3 ASP 116 1HB ASP 116 -7.712 5.861 -9.278 562 H THR 117 H THR 117 -7.414 6.385 -6.603 563 HA THR 117 HA THR 117 -6.138 3.872 -5.696 564 HB THR 117 HB THR 117 -4.791 5.025 -7.380 565 HG1 THR 117 HG1 THR 117 -3.937 4.127 -5.152 566 HG21 THR 117 3HG2 THR 117 -4.636 7.385 -5.468 567 HG22 THR 117 1HG2 THR 117 -5.488 7.373 -7.012 568 HG23 THR 117 2HG2 THR 117 -3.733 7.204 -6.972 569 H PHE 118 H PHE 118 -5.707 3.598 -3.612 570 HA PHE 118 HA PHE 118 -6.937 5.289 -1.641 571 HB2 PHE 118 2HB PHE 118 -6.959 2.759 -1.573 572 HB3 PHE 118 1HB PHE 118 -5.224 2.772 -1.304 573 HD1 PHE 118 HD1 PHE 118 -4.372 3.972 0.888 574 HD2 PHE 118 HD2 PHE 118 -8.437 2.792 0.256 575 HE1 PHE 118 HE1 PHE 118 -4.763 3.994 3.319 576 HE2 PHE 118 HE2 PHE 118 -8.811 2.825 2.671 577 HZ PHE 118 HZ PHE 118 -6.988 3.421 4.209 578 H LYS 119 H LYS 119 -5.872 7.017 -0.804 579 HA LYS 119 HA LYS 119 -2.973 7.301 -1.157 580 HB2 LYS 119 2HB LYS 119 -4.998 9.249 0.016 581 HB3 LYS 119 1HB LYS 119 -3.294 9.601 -0.276 582 HG2 LYS 119 2HG LYS 119 -3.732 9.107 -2.737 583 HG3 LYS 119 1HG LYS 119 -5.455 9.066 -2.339 584 HD2 LYS 119 2HD LYS 119 -3.583 11.433 -1.909 585 HD3 LYS 119 1HD LYS 119 -4.752 11.279 -3.220 586 HE2 LYS 119 2HE LYS 119 -5.494 11.339 -0.275 587 HE3 LYS 119 1HE LYS 119 -5.503 12.751 -1.329 588 HZ1 LYS 119 3HZ LYS 119 -7.122 10.303 -1.769 589 HZ2 LYS 119 1HZ LYS 119 -7.175 11.720 -2.688 590 HZ3 LYS 119 2HZ LYS 119 -7.694 11.736 -1.076 591 H ALA 120 H ALA 120 -1.998 5.943 0.226 592 HA ALA 120 HA ALA 120 -2.793 5.611 2.997 593 HB1 ALA 120 3HB ALA 120 -2.038 3.662 1.689 594 HB2 ALA 120 1HB ALA 120 -0.995 3.933 3.086 595 HB3 ALA 120 2HB ALA 120 -0.451 4.403 1.471 596 H ARG 121 H ARG 121 -2.285 7.215 4.326 597 HA ARG 121 HA ARG 121 -0.087 8.953 4.359 598 HB2 ARG 121 2HB ARG 121 -2.005 9.454 5.746 599 HB3 ARG 121 1HB ARG 121 -1.920 7.900 6.565 600 HG2 ARG 121 2HG ARG 121 0.134 8.584 7.716 601 HG3 ARG 121 1HG ARG 121 0.140 10.114 6.849 602 HD2 ARG 121 2HD ARG 121 -0.676 10.450 9.103 603 HD3 ARG 121 1HD ARG 121 -1.999 10.726 7.967 604 HE ARG 121 HE ARG 121 -1.779 8.098 9.290 605 HH11 ARG 121 1HH1 ARG 121 -3.579 11.085 8.924 606 HH12 ARG 121 2HH1 ARG 121 -4.876 10.564 9.948 607 HH21 ARG 121 1HH2 ARG 121 -3.482 7.465 10.674 608 HH22 ARG 121 2HH2 ARG 121 -4.834 8.526 10.923 609 H THR 122 H THR 122 -0.498 5.658 5.569 610 HA THR 122 HA THR 122 2.266 5.560 6.578 611 HB THR 122 HB THR 122 0.005 4.367 8.246 612 HG1 THR 122 HG1 THR 122 -0.641 6.308 8.715 613 HG21 THR 122 3HG2 THR 122 2.713 5.483 9.041 614 HG22 THR 122 1HG2 THR 122 2.368 3.765 8.797 615 HG23 THR 122 2HG2 THR 122 1.570 4.653 10.098 616 H LEU 123 H LEU 123 3.163 3.475 6.597 617 HA LEU 123 HA LEU 123 1.638 1.208 5.490 618 HB2 LEU 123 2HB LEU 123 2.879 2.319 3.627 619 HB3 LEU 123 1HB LEU 123 4.374 2.147 4.522 620 HG LEU 123 HG LEU 123 4.143 -0.362 4.342 621 HD11 LEU 123 1HD1 LEU 123 2.553 -1.311 2.729 622 HD12 LEU 123 2HD1 LEU 123 1.819 0.277 2.506 623 HD13 LEU 123 3HD1 LEU 123 1.726 -0.527 4.074 624 HD21 LEU 123 3HD2 LEU 123 5.572 0.883 2.770 625 HD22 LEU 123 1HD2 LEU 123 4.199 1.107 1.681 626 HD23 LEU 123 2HD2 LEU 123 4.831 -0.513 1.991 627 H MET 124 H MET 124 2.205 -0.724 6.387 628 HA MET 124 HA MET 124 4.671 -1.082 7.905 629 HB2 MET 124 2HB MET 124 3.127 -0.088 9.578 630 HB3 MET 124 1HB MET 124 1.926 -1.321 9.230 631 HG2 MET 124 2HG MET 124 3.479 -3.053 10.097 632 HG3 MET 124 1HG MET 124 4.652 -1.788 10.470 633 HE1 MET 124 3HE MET 124 0.529 -2.122 12.558 634 HE2 MET 124 1HE MET 124 1.075 -3.241 11.305 635 HE3 MET 124 2HE MET 124 0.706 -1.564 10.894 636 H THR 125 H THR 125 5.382 -2.928 6.977 637 HA THR 125 HA THR 125 3.676 -5.020 5.970 638 HB THR 125 HB THR 125 5.842 -6.290 5.667 639 HG1 THR 125 HG1 THR 125 6.828 -5.084 7.563 640 HG21 THR 125 3HG2 THR 125 5.901 -3.419 4.649 641 HG22 THR 125 1HG2 THR 125 5.110 -4.787 3.863 642 HG23 THR 125 2HG2 THR 125 6.866 -4.749 4.006 643 H LYS 126 H LYS 126 2.832 -6.698 7.136 644 HA LYS 126 HA LYS 126 3.314 -6.802 10.009 645 HB2 LYS 126 2HB LYS 126 0.985 -6.933 9.128 646 HB3 LYS 126 1HB LYS 126 1.390 -8.410 8.275 647 HG2 LYS 126 2HG LYS 126 0.171 -9.066 10.198 648 HG3 LYS 126 1HG LYS 126 1.845 -9.487 10.531 649 HD2 LYS 126 2HD LYS 126 0.632 -6.894 11.551 650 HD3 LYS 126 1HD LYS 126 0.403 -8.407 12.420 651 HE2 LYS 126 2HE LYS 126 3.053 -7.033 11.848 652 HE3 LYS 126 1HE LYS 126 2.238 -7.152 13.408 653 HZ1 LYS 126 3HZ LYS 126 3.393 -9.408 11.837 654 HZ2 LYS 126 1HZ LYS 126 2.517 -9.586 13.275 655 HZ3 LYS 126 2HZ LYS 126 3.995 -8.767 13.281 656 H CYS 127 H CYS 127 3.801 -8.721 7.097 657 HA CYS 127 HA CYS 127 5.494 -10.673 8.508 658 HB2 CYS 127 2HB CYS 127 4.602 -10.555 5.589 659 HB3 CYS 127 1HB CYS 127 5.468 -11.888 6.354 660 HG CYS 127 HG CYS 127 2.452 -11.965 5.831 661 HA PRO 128 HA PRO 128 8.506 -7.435 7.033 662 HB2 PRO 128 2HB PRO 128 10.466 -7.840 8.887 663 HB3 PRO 128 1HB PRO 128 8.992 -6.927 9.248 664 HG2 PRO 128 2HG PRO 128 9.630 -9.817 9.868 665 HG3 PRO 128 1HG PRO 128 8.917 -8.581 10.928 666 HD2 PRO 128 2HD PRO 128 7.391 -10.439 9.633 667 HD3 PRO 128 1HD PRO 128 6.795 -8.799 9.978 668 H LEU 129 H LEU 129 10.055 -7.696 5.496 669 HA LEU 129 HA LEU 129 11.137 -10.206 4.694 670 HB2 LEU 129 2HB LEU 129 10.807 -8.077 3.286 671 HB3 LEU 129 1HB LEU 129 12.242 -7.436 4.051 672 HG LEU 129 HG LEU 129 12.218 -9.941 2.301 673 HD11 LEU 129 1HD1 LEU 129 11.583 -7.974 0.984 674 HD12 LEU 129 2HD1 LEU 129 13.184 -8.548 0.530 675 HD13 LEU 129 3HD1 LEU 129 13.022 -7.111 1.546 676 HD21 LEU 129 3HD2 LEU 129 14.668 -9.638 2.162 677 HD22 LEU 129 1HD2 LEU 129 14.147 -9.919 3.824 678 HD23 LEU 129 2HD2 LEU 129 14.572 -8.289 3.296 679 H GLU 130 H GLU 130 12.053 -11.167 6.464 680 HA GLU 130 HA GLU 130 13.496 -11.786 8.057 681 HB2 GLU 130 2HB GLU 130 15.142 -11.427 6.209 682 HB3 GLU 130 1HB GLU 130 15.391 -9.778 6.762 683 HG2 GLU 130 2HG GLU 130 16.361 -10.603 8.857 684 HG3 GLU 130 1HG GLU 130 16.030 -12.270 8.380 Start of MODEL 10 1 H1 MET 43 1H MET 43 -29.498 15.191 3.566 2 H2 MET 43 2H MET 43 -29.763 16.417 2.433 3 H3 MET 43 3H MET 43 -29.454 16.808 4.045 4 HA MET 43 HA MET 43 -27.569 15.473 2.220 5 HB2 MET 43 2HB MET 43 -27.656 18.352 3.222 6 HB3 MET 43 1HB MET 43 -26.275 17.642 2.389 7 HG2 MET 43 2HG MET 43 -29.053 17.976 1.222 8 HG3 MET 43 1HG MET 43 -27.655 18.995 0.878 9 HE1 MET 43 3HE MET 43 -25.288 16.485 -1.038 10 HE2 MET 43 1HE MET 43 -25.256 16.974 0.656 11 HE3 MET 43 2HE MET 43 -25.533 18.176 -0.605 12 H ALA 44 H ALA 44 -27.294 13.859 3.828 13 HA ALA 44 HA ALA 44 -26.092 14.574 6.407 14 HB1 ALA 44 3HB ALA 44 -26.689 11.846 5.167 15 HB2 ALA 44 1HB ALA 44 -27.711 12.697 6.328 16 HB3 ALA 44 2HB ALA 44 -26.117 12.126 6.813 17 H THR 45 H THR 45 -24.044 15.316 6.133 18 HA THR 45 HA THR 45 -22.197 13.927 4.276 19 HB THR 45 HB THR 45 -20.909 16.067 4.226 20 HG1 THR 45 HG1 THR 45 -21.305 17.450 5.762 21 HG21 THR 45 3HG2 THR 45 -23.839 16.454 3.497 22 HG22 THR 45 1HG2 THR 45 -22.628 15.649 2.494 23 HG23 THR 45 2HG2 THR 45 -22.472 17.371 2.849 24 HA PRO 46 HA PRO 46 -20.024 13.014 8.256 25 HB2 PRO 46 2HB PRO 46 -19.290 10.438 7.060 26 HB3 PRO 46 1HB PRO 46 -20.317 10.741 8.463 27 HG2 PRO 46 2HG PRO 46 -21.268 9.732 6.102 28 HG3 PRO 46 1HG PRO 46 -22.266 10.697 7.213 29 HD2 PRO 46 2HD PRO 46 -20.805 11.589 4.716 30 HD3 PRO 46 1HD PRO 46 -22.466 11.954 5.237 31 H GLN 47 H GLN 47 -18.962 14.815 6.643 32 HA GLN 47 HA GLN 47 -16.708 13.816 5.066 33 HB2 GLN 47 2HB GLN 47 -18.191 15.563 4.110 34 HB3 GLN 47 1HB GLN 47 -17.777 16.659 5.428 35 HG2 GLN 47 2HG GLN 47 -15.463 16.747 4.681 36 HG3 GLN 47 1HG GLN 47 -15.779 15.553 3.427 37 HE21 GLN 47 1HE2 GLN 47 -17.061 16.166 1.612 38 HE22 GLN 47 2HE2 GLN 47 -17.248 17.826 1.180 39 H ASP 48 H ASP 48 -15.153 13.179 6.458 40 HA ASP 48 HA ASP 48 -13.375 15.154 7.478 41 HB2 ASP 48 2HB ASP 48 -13.267 14.489 9.819 42 HB3 ASP 48 1HB ASP 48 -14.914 14.982 9.454 43 H LYS 49 H LYS 49 -11.391 14.058 8.417 44 HA LYS 49 HA LYS 49 -11.048 11.247 7.545 45 HB2 LYS 49 2HB LYS 49 -9.031 13.529 7.216 46 HB3 LYS 49 1HB LYS 49 -8.681 11.827 6.902 47 HG2 LYS 49 2HG LYS 49 -10.309 11.775 5.084 48 HG3 LYS 49 1HG LYS 49 -10.819 13.425 5.450 49 HD2 LYS 49 2HD LYS 49 -8.520 14.217 4.867 50 HD3 LYS 49 1HD LYS 49 -8.095 12.565 4.407 51 HE2 LYS 49 2HE LYS 49 -9.826 12.607 2.644 52 HE3 LYS 49 1HE LYS 49 -10.284 14.247 3.120 53 HZ1 LYS 49 3HZ LYS 49 -7.629 13.430 2.075 54 HZ2 LYS 49 1HZ LYS 49 -8.082 15.004 2.495 55 HZ3 LYS 49 2HZ LYS 49 -8.830 14.223 1.195 56 H LEU 50 H LEU 50 -11.635 12.820 10.123 57 HA LEU 50 HA LEU 50 -9.548 12.266 11.989 58 HB2 LEU 50 2HB LEU 50 -12.557 12.517 12.412 59 HB3 LEU 50 1HB LEU 50 -11.360 12.517 13.699 60 HG LEU 50 HG LEU 50 -11.601 14.646 11.534 61 HD11 LEU 50 1HD1 LEU 50 -12.484 16.116 13.290 62 HD12 LEU 50 2HD1 LEU 50 -12.449 14.783 14.449 63 HD13 LEU 50 3HD1 LEU 50 -13.519 14.710 13.046 64 HD21 LEU 50 3HD2 LEU 50 -9.986 15.938 12.868 65 HD22 LEU 50 1HD2 LEU 50 -9.287 14.411 12.332 66 HD23 LEU 50 2HD2 LEU 50 -9.825 14.597 14.005 67 H HIS 51 H HIS 51 -12.509 10.535 10.968 68 HA HIS 51 HA HIS 51 -11.667 8.001 12.116 69 HB2 HIS 51 2HB HIS 51 -13.836 8.562 10.031 70 HB3 HIS 51 1HB HIS 51 -13.565 7.019 10.831 71 HD1 HIS 51 HD1 HIS 51 -14.446 6.758 13.225 72 HD2 HIS 51 HD2 HIS 51 -15.075 10.538 11.623 73 HE1 HIS 51 HE1 HIS 51 -16.071 7.878 14.776 74 HE2 HIS 51 HE2 HIS 51 -16.461 10.154 13.778 75 H THR 52 H THR 52 -9.558 7.917 11.278 76 HA THR 52 HA THR 52 -8.811 8.127 8.563 77 HB THR 52 HB THR 52 -7.394 6.601 10.804 78 HG1 THR 52 HG1 THR 52 -7.751 9.306 10.322 79 HG21 THR 52 3HG2 THR 52 -6.255 7.837 8.267 80 HG22 THR 52 1HG2 THR 52 -6.440 6.113 8.565 81 HG23 THR 52 2HG2 THR 52 -5.322 7.064 9.551 82 H VAL 53 H VAL 53 -8.328 6.465 7.030 83 HA VAL 53 HA VAL 53 -10.014 4.063 7.347 84 HB VAL 53 HB VAL 53 -8.852 5.176 4.749 85 HG11 VAL 53 1HG1 VAL 53 -11.062 3.131 5.230 86 HG12 VAL 53 2HG1 VAL 53 -9.434 2.780 4.638 87 HG13 VAL 53 3HG1 VAL 53 -10.548 3.729 3.652 88 HG21 VAL 53 3HG2 VAL 53 -10.369 6.863 5.687 89 HG22 VAL 53 1HG2 VAL 53 -11.644 5.652 5.879 90 HG23 VAL 53 2HG2 VAL 53 -11.096 6.117 4.265 91 H ARG 54 H ARG 54 -8.818 2.393 8.060 92 HA ARG 54 HA ARG 54 -6.059 1.994 7.085 93 HB2 ARG 54 2HB ARG 54 -6.098 1.999 9.490 94 HB3 ARG 54 1HB ARG 54 -7.523 0.970 9.551 95 HG2 ARG 54 2HG ARG 54 -6.237 -0.949 8.811 96 HG3 ARG 54 1HG ARG 54 -4.806 0.050 8.558 97 HD2 ARG 54 2HD ARG 54 -6.031 -0.027 11.317 98 HD3 ARG 54 1HD ARG 54 -5.098 -1.422 10.768 99 HE ARG 54 HE ARG 54 -3.675 0.988 10.309 100 HH11 ARG 54 1HH1 ARG 54 -4.511 -1.194 12.937 101 HH12 ARG 54 2HH1 ARG 54 -3.051 -0.864 13.812 102 HH21 ARG 54 1HH2 ARG 54 -1.762 1.367 11.449 103 HH22 ARG 54 2HH2 ARG 54 -1.502 0.583 12.974 104 H LEU 55 H LEU 55 -5.833 0.638 5.488 105 HA LEU 55 HA LEU 55 -7.873 -1.418 4.860 106 HB2 LEU 55 2HB LEU 55 -6.972 0.646 3.257 107 HB3 LEU 55 1HB LEU 55 -5.827 -0.600 2.802 108 HG LEU 55 HG LEU 55 -8.860 -0.748 2.517 109 HD11 LEU 55 1HD1 LEU 55 -7.850 0.794 0.926 110 HD12 LEU 55 2HD1 LEU 55 -8.446 -0.642 0.099 111 HD13 LEU 55 3HD1 LEU 55 -6.715 -0.451 0.393 112 HD21 LEU 55 3HD2 LEU 55 -7.988 -2.997 2.940 113 HD22 LEU 55 1HD2 LEU 55 -6.803 -2.807 1.646 114 HD23 LEU 55 2HD2 LEU 55 -8.528 -2.846 1.271 115 H PHE 56 H PHE 56 -7.147 -3.565 4.558 116 HA PHE 56 HA PHE 56 -4.301 -4.183 5.156 117 HB2 PHE 56 2HB PHE 56 -6.716 -5.953 5.772 118 HB3 PHE 56 1HB PHE 56 -5.044 -6.263 6.221 119 HD1 PHE 56 HD1 PHE 56 -3.986 -4.927 8.049 120 HD2 PHE 56 HD2 PHE 56 -8.132 -4.526 7.105 121 HE1 PHE 56 HE1 PHE 56 -4.385 -3.864 10.232 122 HE2 PHE 56 HE2 PHE 56 -8.526 -3.467 9.291 123 HZ PHE 56 HZ PHE 56 -6.655 -3.140 10.853 124 H GLY 57 H GLY 57 -3.352 -5.771 3.808 125 HA2 GLY 57 2HA GLY 57 -4.701 -7.688 2.272 126 HA3 GLY 57 1HA GLY 57 -4.461 -6.284 1.235 127 H THR 58 H THR 58 -3.244 -7.977 0.062 128 HA THR 58 HA THR 58 -0.454 -8.282 0.998 129 HB THR 58 HB THR 58 -1.961 -10.128 -0.927 130 HG1 THR 58 HG1 THR 58 -2.077 -9.960 1.762 131 HG21 THR 58 3HG2 THR 58 0.697 -10.487 0.519 132 HG22 THR 58 1HG2 THR 58 0.506 -10.176 -1.209 133 HG23 THR 58 2HG2 THR 58 -0.083 -11.689 -0.513 134 H VAL 59 H VAL 59 1.153 -7.708 -0.447 135 HA VAL 59 HA VAL 59 0.490 -5.837 -2.539 136 HB VAL 59 HB VAL 59 3.230 -6.947 -1.773 137 HG11 VAL 59 1HG1 VAL 59 4.139 -4.886 -2.798 138 HG12 VAL 59 2HG1 VAL 59 2.512 -4.383 -3.256 139 HG13 VAL 59 3HG1 VAL 59 3.224 -5.826 -3.981 140 HG21 VAL 59 3HG2 VAL 59 3.500 -4.940 -0.348 141 HG22 VAL 59 1HG2 VAL 59 2.158 -5.947 0.200 142 HG23 VAL 59 2HG2 VAL 59 1.836 -4.461 -0.698 143 H ALA 60 H ALA 60 0.238 -6.313 -4.659 144 HA ALA 60 HA ALA 60 0.764 -8.963 -5.734 145 HB1 ALA 60 3HB ALA 60 -1.286 -7.768 -6.383 146 HB2 ALA 60 1HB ALA 60 -0.283 -8.087 -7.798 147 HB3 ALA 60 2HB ALA 60 -0.335 -6.464 -7.096 148 H ALA 61 H ALA 61 2.213 -9.468 -7.389 149 HA ALA 61 HA ALA 61 4.528 -7.767 -7.850 150 HB1 ALA 61 3HB ALA 61 5.338 -9.582 -9.301 151 HB2 ALA 61 1HB ALA 61 3.769 -10.393 -9.178 152 HB3 ALA 61 2HB ALA 61 4.789 -10.220 -7.751 153 H ASP 62 H ASP 62 1.516 -8.558 -9.411 154 HA ASP 62 HA ASP 62 2.187 -7.316 -11.961 155 HB2 ASP 62 2HB ASP 62 -0.434 -8.566 -11.000 156 HB3 ASP 62 1HB ASP 62 -0.048 -8.090 -12.650 157 H GLY 63 H GLY 63 2.337 -5.153 -11.684 158 HA2 GLY 63 2HA GLY 63 1.250 -3.037 -11.790 159 HA3 GLY 63 1HA GLY 63 -0.043 -3.659 -10.771 160 H LEU 64 H LEU 64 3.430 -2.962 -10.747 161 HA LEU 64 HA LEU 64 3.214 -1.654 -8.141 162 HB2 LEU 64 2HB LEU 64 3.863 -4.164 -7.904 163 HB3 LEU 64 1HB LEU 64 5.398 -3.731 -8.631 164 HG LEU 64 HG LEU 64 4.380 -2.449 -6.048 165 HD11 LEU 64 1HD1 LEU 64 5.794 -4.021 -4.803 166 HD12 LEU 64 2HD1 LEU 64 6.172 -4.887 -6.293 167 HD13 LEU 64 3HD1 LEU 64 4.516 -4.857 -5.683 168 HD21 LEU 64 3HD2 LEU 64 7.202 -2.607 -7.200 169 HD22 LEU 64 1HD2 LEU 64 6.749 -1.875 -5.654 170 HD23 LEU 64 2HD2 LEU 64 6.172 -1.173 -7.163 171 H THR 65 H THR 65 3.792 0.290 -8.793 172 HA THR 65 HA THR 65 6.233 0.759 -10.398 173 HB THR 65 HB THR 65 3.659 2.421 -10.482 174 HG1 THR 65 HG1 THR 65 4.650 0.488 -12.336 175 HG21 THR 65 3HG2 THR 65 5.686 3.723 -11.083 176 HG22 THR 65 1HG2 THR 65 4.644 3.470 -12.488 177 HG23 THR 65 2HG2 THR 65 6.106 2.503 -12.290 178 H MET 66 H MET 66 7.711 1.930 -9.227 179 HA MET 66 HA MET 66 6.872 3.171 -6.687 180 HB2 MET 66 2HB MET 66 9.697 2.648 -7.727 181 HB3 MET 66 1HB MET 66 9.294 3.286 -6.140 182 HG2 MET 66 2HG MET 66 8.060 1.093 -5.717 183 HG3 MET 66 1HG MET 66 8.807 0.490 -7.193 184 HE1 MET 66 3HE MET 66 10.285 2.876 -4.389 185 HE2 MET 66 1HE MET 66 11.129 1.706 -3.371 186 HE3 MET 66 2HE MET 66 9.375 1.660 -3.490 187 H LEU 67 H LEU 67 7.289 5.364 -6.222 188 HA LEU 67 HA LEU 67 6.804 7.091 -8.436 189 HB2 LEU 67 2HB LEU 67 7.515 7.888 -5.586 190 HB3 LEU 67 1HB LEU 67 6.745 8.906 -6.797 191 HG LEU 67 HG LEU 67 5.532 6.513 -5.355 192 HD11 LEU 67 1HD1 LEU 67 3.894 8.132 -4.518 193 HD12 LEU 67 2HD1 LEU 67 4.723 9.439 -5.365 194 HD13 LEU 67 3HD1 LEU 67 5.539 8.578 -4.055 195 HD21 LEU 67 3HD2 LEU 67 3.472 6.848 -6.653 196 HD22 LEU 67 1HD2 LEU 67 4.818 6.392 -7.693 197 HD23 LEU 67 2HD2 LEU 67 4.272 8.069 -7.645 198 H ASP 68 H ASP 68 8.206 8.128 -9.724 199 HA ASP 68 HA ASP 68 11.075 7.724 -9.383 200 HB2 ASP 68 2HB ASP 68 9.493 9.078 -11.619 201 HB3 ASP 68 1HB ASP 68 11.230 8.789 -11.651 202 H GLY 69 H GLY 69 12.396 9.174 -8.463 203 HA2 GLY 69 2HA GLY 69 13.289 11.116 -7.649 204 HA3 GLY 69 1HA GLY 69 12.292 12.003 -8.789 205 H ALA 70 H ALA 70 10.821 9.854 -6.465 206 HA ALA 70 HA ALA 70 10.137 11.938 -4.538 207 HB1 ALA 70 3HB ALA 70 7.971 10.556 -6.186 208 HB2 ALA 70 1HB ALA 70 8.419 12.260 -6.298 209 HB3 ALA 70 2HB ALA 70 7.688 11.635 -4.817 210 HA PRO 71 HA PRO 71 10.165 8.175 -2.010 211 HB2 PRO 71 2HB PRO 71 9.139 9.144 0.331 212 HB3 PRO 71 1HB PRO 71 10.766 9.552 -0.227 213 HG2 PRO 71 2HG PRO 71 8.241 11.174 -0.413 214 HG3 PRO 71 1HG PRO 71 9.882 11.705 0.006 215 HD2 PRO 71 2HD PRO 71 8.782 12.021 -2.496 216 HD3 PRO 71 1HD PRO 71 10.527 11.876 -2.207 217 H GLY 72 H GLY 72 8.752 6.612 -2.595 218 HA2 GLY 72 2HA GLY 72 6.554 5.876 -1.298 219 HA3 GLY 72 1HA GLY 72 5.859 7.002 -2.459 220 H VAL 73 H VAL 73 4.724 4.900 -2.851 221 HA VAL 73 HA VAL 73 5.675 3.703 -5.281 222 HB VAL 73 HB VAL 73 6.818 2.205 -3.714 223 HG11 VAL 73 1HG1 VAL 73 5.605 0.801 -2.059 224 HG12 VAL 73 2HG1 VAL 73 4.114 1.664 -2.433 225 HG13 VAL 73 3HG1 VAL 73 5.463 2.522 -1.692 226 HG21 VAL 73 3HG2 VAL 73 5.911 0.028 -4.465 227 HG22 VAL 73 1HG2 VAL 73 5.919 1.206 -5.782 228 HG23 VAL 73 2HG2 VAL 73 4.409 0.817 -4.955 229 H ARG 74 H ARG 74 3.967 3.458 -6.545 230 HA ARG 74 HA ARG 74 1.260 3.108 -5.495 231 HB2 ARG 74 2HB ARG 74 1.484 4.666 -7.358 232 HB3 ARG 74 1HB ARG 74 2.349 3.468 -8.316 233 HG2 ARG 74 2HG ARG 74 0.364 2.122 -8.572 234 HG3 ARG 74 1HG ARG 74 -0.531 3.127 -7.425 235 HD2 ARG 74 2HD ARG 74 0.558 4.065 -10.105 236 HD3 ARG 74 1HD ARG 74 -1.118 3.607 -9.789 237 HE ARG 74 HE ARG 74 -0.978 5.475 -8.014 238 HH11 ARG 74 1HH1 ARG 74 0.626 5.616 -11.142 239 HH12 ARG 74 2HH1 ARG 74 0.507 7.340 -11.236 240 HH21 ARG 74 1HH2 ARG 74 -1.069 7.730 -8.153 241 HH22 ARG 74 2HH2 ARG 74 -0.436 8.524 -9.559 242 H PHE 75 H PHE 75 0.272 1.126 -5.469 243 HA PHE 75 HA PHE 75 1.338 -1.132 -6.968 244 HB2 PHE 75 2HB PHE 75 1.663 -2.579 -4.977 245 HB3 PHE 75 1HB PHE 75 2.768 -1.214 -4.977 246 HD1 PHE 75 HD2 PHE 75 2.239 0.787 -3.449 247 HD2 PHE 75 HD1 PHE 75 0.236 -2.980 -3.073 248 HE1 PHE 75 HE2 PHE 75 1.582 1.361 -1.144 249 HE2 PHE 75 HE1 PHE 75 -0.423 -2.389 -0.772 250 HZ PHE 75 HZ PHE 75 0.253 -0.225 0.196 251 H ARG 76 H ARG 76 0.033 -3.043 -6.774 252 HA ARG 76 HA ARG 76 -2.829 -2.417 -6.597 253 HB2 ARG 76 2HB ARG 76 -1.933 -3.339 -8.715 254 HB3 ARG 76 1HB ARG 76 -1.341 -4.760 -7.866 255 HG2 ARG 76 2HG ARG 76 -3.652 -5.438 -7.358 256 HG3 ARG 76 1HG ARG 76 -4.262 -3.975 -8.139 257 HD2 ARG 76 2HD ARG 76 -3.436 -4.716 -10.302 258 HD3 ARG 76 1HD ARG 76 -2.633 -6.105 -9.565 259 HE ARG 76 HE ARG 76 -4.883 -6.953 -8.990 260 HH11 ARG 76 1HH1 ARG 76 -4.719 -4.578 -11.592 261 HH12 ARG 76 2HH1 ARG 76 -6.135 -5.191 -12.388 262 HH21 ARG 76 1HH2 ARG 76 -6.695 -7.754 -10.062 263 HH22 ARG 76 2HH2 ARG 76 -7.250 -6.993 -11.519 264 H LEU 77 H LEU 77 -3.740 -2.913 -4.715 265 HA LEU 77 HA LEU 77 -2.507 -4.840 -2.878 266 HB2 LEU 77 2HB LEU 77 -3.113 -2.476 -2.130 267 HB3 LEU 77 1HB LEU 77 -4.803 -2.917 -2.318 268 HG LEU 77 HG LEU 77 -4.478 -4.737 -0.606 269 HD11 LEU 77 1HD1 LEU 77 -1.732 -3.493 -0.261 270 HD12 LEU 77 2HD1 LEU 77 -2.086 -5.118 -0.855 271 HD13 LEU 77 3HD1 LEU 77 -2.456 -4.695 0.812 272 HD21 LEU 77 3HD2 LEU 77 -3.800 -1.948 0.371 273 HD22 LEU 77 1HD2 LEU 77 -4.450 -3.266 1.352 274 HD23 LEU 77 2HD2 LEU 77 -5.422 -2.567 0.057 275 H GLU 78 H GLU 78 -3.243 -6.837 -2.899 276 HA GLU 78 HA GLU 78 -5.997 -7.526 -3.731 277 HB2 GLU 78 2HB GLU 78 -3.586 -9.345 -3.272 278 HB3 GLU 78 1HB GLU 78 -5.119 -9.803 -4.011 279 HG2 GLU 78 2HG GLU 78 -4.615 -8.348 -5.939 280 HG3 GLU 78 1HG GLU 78 -3.082 -7.886 -5.184 281 H ASP 79 H ASP 79 -7.283 -7.408 -1.894 282 HA ASP 79 HA ASP 79 -6.623 -8.245 0.731 283 HB2 ASP 79 2HB ASP 79 -9.339 -8.189 -0.690 284 HB3 ASP 79 1HB ASP 79 -9.120 -8.378 1.049 285 H LYS 80 H LYS 80 -5.920 -10.309 1.155 286 HA LYS 80 HA LYS 80 -5.748 -12.342 -0.661 287 HB2 LYS 80 2HB LYS 80 -4.995 -13.823 1.144 288 HB3 LYS 80 1HB LYS 80 -4.293 -12.219 1.284 289 HG2 LYS 80 2HG LYS 80 -6.704 -13.072 2.909 290 HG3 LYS 80 1HG LYS 80 -5.049 -13.379 3.434 291 HD2 LYS 80 2HD LYS 80 -4.594 -10.937 3.430 292 HD3 LYS 80 1HD LYS 80 -6.251 -10.630 2.893 293 HE2 LYS 80 2HE LYS 80 -6.018 -10.263 5.315 294 HE3 LYS 80 1HE LYS 80 -7.113 -11.608 4.993 295 HZ1 LYS 80 3HZ LYS 80 -5.314 -13.143 5.478 296 HZ2 LYS 80 1HZ LYS 80 -5.566 -12.102 6.792 297 HZ3 LYS 80 2HZ LYS 80 -4.250 -11.861 5.758 298 H ASP 81 H ASP 81 -8.460 -11.885 1.528 299 HA ASP 81 HA ASP 81 -9.750 -14.418 0.748 300 HB2 ASP 81 2HB ASP 81 -10.810 -12.191 2.558 301 HB3 ASP 81 1HB ASP 81 -11.512 -13.794 2.359 302 H ASN 82 H ASN 82 -10.217 -10.889 0.503 303 HA ASN 82 HA ASN 82 -12.495 -11.230 -1.367 304 HB2 ASN 82 2HB ASN 82 -12.890 -9.912 0.731 305 HB3 ASN 82 1HB ASN 82 -11.626 -8.787 0.258 306 HD21 ASN 82 1HD2 ASN 82 -13.111 -7.074 0.340 307 HD22 ASN 82 2HD2 ASN 82 -14.316 -6.829 -0.867 308 H THR 83 H THR 83 -10.267 -11.827 -2.604 309 HA THR 83 HA THR 83 -8.631 -9.616 -3.453 310 HB THR 83 HB THR 83 -7.755 -11.923 -2.986 311 HG1 THR 83 HG1 THR 83 -6.217 -11.068 -4.129 312 HG21 THR 83 3HG2 THR 83 -9.489 -13.293 -4.073 313 HG22 THR 83 1HG2 THR 83 -7.891 -13.649 -4.738 314 HG23 THR 83 2HG2 THR 83 -9.023 -12.654 -5.652 315 H SER 84 H SER 84 -11.581 -10.862 -4.555 316 HA SER 84 HA SER 84 -11.527 -10.252 -7.313 317 HB2 SER 84 2HB SER 84 -13.868 -9.998 -5.372 318 HB3 SER 84 1HB SER 84 -13.990 -10.136 -7.131 319 HG SER 84 HG SER 84 -12.512 -12.135 -5.937 320 H LYS 85 H LYS 85 -11.808 -8.244 -4.450 321 HA LYS 85 HA LYS 85 -12.103 -5.764 -6.019 322 HB2 LYS 85 2HB LYS 85 -13.569 -6.134 -3.986 323 HB3 LYS 85 1HB LYS 85 -12.122 -6.133 -2.986 324 HG2 LYS 85 2HG LYS 85 -11.686 -3.764 -3.935 325 HG3 LYS 85 1HG LYS 85 -13.346 -3.834 -4.526 326 HD2 LYS 85 2HD LYS 85 -13.605 -2.748 -2.477 327 HD3 LYS 85 1HD LYS 85 -13.968 -4.415 -2.041 328 HE2 LYS 85 2HE LYS 85 -11.382 -2.899 -1.534 329 HE3 LYS 85 1HE LYS 85 -12.550 -3.424 -0.328 330 HZ1 LYS 85 3HZ LYS 85 -11.965 -5.718 -0.855 331 HZ2 LYS 85 1HZ LYS 85 -10.615 -4.833 -0.354 332 HZ3 LYS 85 2HZ LYS 85 -10.830 -5.183 -1.990 333 H THR 86 H THR 86 -9.942 -6.003 -6.917 334 HA THR 86 HA THR 86 -7.645 -5.586 -5.167 335 HB THR 86 HB THR 86 -6.401 -5.380 -7.414 336 HG1 THR 86 HG1 THR 86 -8.397 -4.869 -8.599 337 HG21 THR 86 3HG2 THR 86 -6.422 -7.510 -6.165 338 HG22 THR 86 1HG2 THR 86 -6.467 -7.789 -7.911 339 HG23 THR 86 2HG2 THR 86 -7.939 -7.957 -6.951 340 H VAL 87 H VAL 87 -7.344 -3.619 -4.349 341 HA VAL 87 HA VAL 87 -8.341 -1.200 -5.743 342 HB VAL 87 HB VAL 87 -7.454 -1.486 -2.830 343 HG11 VAL 87 1HG1 VAL 87 -8.943 0.792 -4.198 344 HG12 VAL 87 2HG1 VAL 87 -7.274 0.842 -3.630 345 HG13 VAL 87 3HG1 VAL 87 -8.595 0.697 -2.467 346 HG21 VAL 87 3HG2 VAL 87 -9.851 -1.497 -2.227 347 HG22 VAL 87 1HG2 VAL 87 -9.434 -2.883 -3.243 348 HG23 VAL 87 2HG2 VAL 87 -10.282 -1.500 -3.937 349 H TRP 88 H TRP 88 -6.900 0.396 -6.372 350 HA TRP 88 HA TRP 88 -4.040 -0.179 -6.261 351 HB2 TRP 88 2HB TRP 88 -5.677 2.014 -7.626 352 HB3 TRP 88 1HB TRP 88 -3.914 1.974 -7.653 353 HD1 TRP 88 HD1 TRP 88 -6.956 0.262 -9.208 354 HE1 TRP 88 HE1 TRP 88 -6.157 -1.299 -11.088 355 HE3 TRP 88 HE3 TRP 88 -1.912 0.482 -8.363 356 HZ2 TRP 88 HZ2 TRP 88 -3.726 -2.317 -12.071 357 HZ3 TRP 88 HZ3 TRP 88 -0.422 -0.825 -9.820 358 HH2 TRP 88 HH2 TRP 88 -1.312 -2.190 -11.642 359 H VAL 89 H VAL 89 -2.545 1.169 -5.215 360 HA VAL 89 HA VAL 89 -3.609 3.054 -3.213 361 HB VAL 89 HB VAL 89 -1.540 0.876 -2.602 362 HG11 VAL 89 1HG1 VAL 89 -2.716 3.011 -0.762 363 HG12 VAL 89 2HG1 VAL 89 -1.064 2.972 -1.386 364 HG13 VAL 89 3HG1 VAL 89 -1.612 1.721 -0.271 365 HG21 VAL 89 3HG2 VAL 89 -3.224 -0.091 -1.074 366 HG22 VAL 89 1HG2 VAL 89 -3.825 -0.070 -2.736 367 HG23 VAL 89 2HG2 VAL 89 -4.400 1.128 -1.572 368 H LEU 90 H LEU 90 -2.644 4.894 -3.453 369 HA LEU 90 HA LEU 90 0.093 5.142 -4.517 370 HB2 LEU 90 2HB LEU 90 -1.665 6.647 -5.489 371 HB3 LEU 90 1HB LEU 90 -1.955 7.313 -3.888 372 HG LEU 90 HG LEU 90 0.434 8.147 -3.862 373 HD11 LEU 90 1HD1 LEU 90 1.418 6.603 -5.470 374 HD12 LEU 90 2HD1 LEU 90 1.687 8.271 -5.963 375 HD13 LEU 90 3HD1 LEU 90 0.452 7.306 -6.775 376 HD21 LEU 90 3HD2 LEU 90 -1.408 9.671 -4.407 377 HD22 LEU 90 1HD2 LEU 90 -1.296 9.226 -6.114 378 HD23 LEU 90 2HD2 LEU 90 0.036 10.075 -5.329 379 H TYR 91 H TYR 91 1.204 4.379 -2.760 380 HA TYR 91 HA TYR 91 0.997 5.648 -0.144 381 HB2 TYR 91 2HB TYR 91 1.668 3.303 -0.131 382 HB3 TYR 91 1HB TYR 91 2.966 3.604 -1.285 383 HD1 TYR 91 HD1 TYR 91 1.868 4.909 2.076 384 HD2 TYR 91 HD2 TYR 91 5.141 3.648 -0.353 385 HE1 TYR 91 HE1 TYR 91 3.413 5.313 3.937 386 HE2 TYR 91 HE2 TYR 91 6.686 4.041 1.512 387 HH TYR 91 HH TYR 91 6.822 5.346 3.541 388 H LYS 92 H LYS 92 1.790 7.694 0.069 389 HA LYS 92 HA LYS 92 4.313 8.445 -1.279 390 HB2 LYS 92 2HB LYS 92 2.148 10.158 0.017 391 HB3 LYS 92 1HB LYS 92 3.637 10.794 -0.679 392 HG2 LYS 92 2HG LYS 92 2.953 9.941 -2.908 393 HG3 LYS 92 1HG LYS 92 1.458 9.313 -2.205 394 HD2 LYS 92 2HD LYS 92 2.279 12.243 -2.272 395 HD3 LYS 92 1HD LYS 92 1.136 11.486 -3.380 396 HE2 LYS 92 2HE LYS 92 -0.390 11.014 -1.506 397 HE3 LYS 92 1HE LYS 92 0.776 11.693 -0.373 398 HZ1 LYS 92 3HZ LYS 92 0.539 13.824 -1.500 399 HZ2 LYS 92 1HZ LYS 92 -0.922 13.274 -0.858 400 HZ3 LYS 92 2HZ LYS 92 -0.635 13.159 -2.517 401 H GLY 93 H GLY 93 5.997 8.016 -0.054 402 HA2 GLY 93 2HA GLY 93 6.842 9.174 2.244 403 HA3 GLY 93 1HA GLY 93 5.917 7.797 2.839 404 H ALA 94 H ALA 94 8.484 7.778 3.538 405 HA ALA 94 HA ALA 94 10.317 6.568 1.733 406 HB1 ALA 94 3HB ALA 94 11.650 6.079 3.757 407 HB2 ALA 94 1HB ALA 94 10.268 6.503 4.779 408 HB3 ALA 94 2HB ALA 94 11.037 7.730 3.772 409 H VAL 95 H VAL 95 10.114 4.595 0.856 410 HA VAL 95 HA VAL 95 8.296 2.608 1.931 411 HB VAL 95 HB VAL 95 10.132 2.347 -0.497 412 HG11 VAL 95 1HG1 VAL 95 9.272 0.167 0.299 413 HG12 VAL 95 2HG1 VAL 95 8.550 0.592 -1.254 414 HG13 VAL 95 3HG1 VAL 95 7.617 0.781 0.232 415 HG21 VAL 95 3HG2 VAL 95 8.657 4.310 -0.754 416 HG22 VAL 95 1HG2 VAL 95 7.247 3.300 -0.428 417 HG23 VAL 95 2HG2 VAL 95 8.208 3.027 -1.884 418 HA PRO 96 HA PRO 96 11.759 0.592 4.209 419 HB2 PRO 96 2HB PRO 96 10.205 -1.279 5.483 420 HB3 PRO 96 1HB PRO 96 10.359 0.390 6.050 421 HG2 PRO 96 2HG PRO 96 8.167 -0.847 4.382 422 HG3 PRO 96 1HG PRO 96 8.027 0.228 5.792 423 HD2 PRO 96 2HD PRO 96 7.793 1.180 3.264 424 HD3 PRO 96 1HD PRO 96 8.549 2.148 4.547 425 H ASP 97 H ASP 97 12.825 -1.380 3.936 426 HA ASP 97 HA ASP 97 12.702 -2.585 1.377 427 HB2 ASP 97 2HB ASP 97 14.234 -3.486 3.856 428 HB3 ASP 97 1HB ASP 97 14.521 -4.073 2.220 429 H THR 98 H THR 98 11.014 -3.324 4.261 430 HA THR 98 HA THR 98 10.668 -6.156 3.974 431 HB THR 98 HB THR 98 10.421 -5.024 6.166 432 HG1 THR 98 HG1 THR 98 8.433 -6.653 5.095 433 HG21 THR 98 3HG2 THR 98 8.384 -3.711 6.702 434 HG22 THR 98 1HG2 THR 98 7.891 -3.785 5.013 435 HG23 THR 98 2HG2 THR 98 9.361 -2.921 5.464 436 H PHE 99 H PHE 99 9.117 -3.360 2.617 437 HA PHE 99 HA PHE 99 6.684 -4.528 1.679 438 HB2 PHE 99 2HB PHE 99 6.873 -2.100 1.800 439 HB3 PHE 99 1HB PHE 99 8.274 -2.096 0.738 440 HD1 PHE 99 HD1 PHE 99 4.582 -2.508 0.852 441 HD2 PHE 99 HD2 PHE 99 8.006 -2.180 -1.687 442 HE1 PHE 99 HE1 PHE 99 3.118 -2.155 -1.092 443 HE2 PHE 99 HE2 PHE 99 6.533 -1.839 -3.623 444 HZ PHE 99 HZ PHE 99 4.094 -1.820 -3.322 445 H LYS 100 H LYS 100 6.484 -6.050 0.157 446 HA LYS 100 HA LYS 100 7.848 -5.975 -2.355 447 HB2 LYS 100 2HB LYS 100 9.020 -8.146 -2.212 448 HB3 LYS 100 1HB LYS 100 9.651 -7.013 -1.022 449 HG2 LYS 100 2HG LYS 100 8.358 -8.163 0.751 450 HG3 LYS 100 1HG LYS 100 7.738 -9.304 -0.453 451 HD2 LYS 100 2HD LYS 100 10.010 -10.126 -0.888 452 HD3 LYS 100 1HD LYS 100 10.684 -8.921 0.215 453 HE2 LYS 100 2HE LYS 100 8.871 -11.233 0.967 454 HE3 LYS 100 1HE LYS 100 10.596 -11.091 1.309 455 HZ1 LYS 100 3HZ LYS 100 9.441 -10.505 3.270 456 HZ2 LYS 100 1HZ LYS 100 8.390 -9.465 2.435 457 HZ3 LYS 100 2HZ LYS 100 10.017 -9.059 2.615 458 HA PRO 101 HA PRO 101 4.171 -8.331 -3.580 459 HB2 PRO 101 2HB PRO 101 5.291 -10.076 -5.472 460 HB3 PRO 101 1HB PRO 101 4.757 -8.427 -5.800 461 HG2 PRO 101 2HG PRO 101 7.524 -9.449 -5.237 462 HG3 PRO 101 1HG PRO 101 6.994 -8.237 -6.422 463 HD2 PRO 101 2HD PRO 101 8.150 -7.494 -4.105 464 HD3 PRO 101 1HD PRO 101 6.816 -6.542 -4.804 465 H GLY 102 H GLY 102 3.338 -9.733 -2.152 466 HA2 GLY 102 2HA GLY 102 3.063 -12.138 -1.683 467 HA3 GLY 102 1HA GLY 102 4.804 -12.239 -1.478 468 H VAL 103 H VAL 103 4.500 -9.445 -0.033 469 HA VAL 103 HA VAL 103 3.922 -10.604 2.615 470 HB VAL 103 HB VAL 103 6.072 -9.246 2.144 471 HG11 VAL 103 1HG1 VAL 103 4.226 -6.853 2.381 472 HG12 VAL 103 2HG1 VAL 103 5.062 -7.354 0.912 473 HG13 VAL 103 3HG1 VAL 103 5.985 -6.804 2.314 474 HG21 VAL 103 3HG2 VAL 103 4.348 -8.416 4.507 475 HG22 VAL 103 1HG2 VAL 103 6.102 -8.232 4.405 476 HG23 VAL 103 2HG2 VAL 103 5.383 -9.846 4.428 477 H GLU 104 H GLU 104 2.356 -9.739 4.031 478 HA GLU 104 HA GLU 104 0.218 -8.145 2.860 479 HB2 GLU 104 2HB GLU 104 0.535 -9.398 5.614 480 HB3 GLU 104 1HB GLU 104 -0.852 -8.418 5.139 481 HG2 GLU 104 2HG GLU 104 -1.319 -10.051 3.306 482 HG3 GLU 104 1HG GLU 104 -0.013 -11.072 3.929 483 H VAL 105 H VAL 105 0.018 -6.052 3.113 484 HA VAL 105 HA VAL 105 1.615 -4.609 5.142 485 HB VAL 105 HB VAL 105 1.391 -2.578 3.745 486 HG11 VAL 105 1HG1 VAL 105 2.978 -3.225 1.968 487 HG12 VAL 105 2HG1 VAL 105 2.619 -4.929 2.262 488 HG13 VAL 105 3HG1 VAL 105 3.393 -3.965 3.521 489 HG21 VAL 105 3HG2 VAL 105 0.074 -4.376 1.656 490 HG22 VAL 105 1HG2 VAL 105 0.558 -2.691 1.409 491 HG23 VAL 105 2HG2 VAL 105 -0.720 -3.084 2.558 492 H ILE 106 H ILE 106 0.693 -2.854 6.158 493 HA ILE 106 HA ILE 106 -2.241 -2.684 6.384 494 HB ILE 106 HB ILE 106 -0.188 -2.324 8.634 495 HG12 ILE 106 2HG1 ILE 106 -2.209 -4.584 8.257 496 HG13 ILE 106 1HG1 ILE 106 -0.467 -4.724 8.034 497 HG21 ILE 106 1HG2 ILE 106 -2.133 -2.081 10.135 498 HG22 ILE 106 2HG2 ILE 106 -3.226 -2.201 8.757 499 HG23 ILE 106 3HG2 ILE 106 -2.123 -0.829 8.893 500 HD11 ILE 106 3HD1 ILE 106 -1.887 -4.146 10.637 501 HD12 ILE 106 1HD1 ILE 106 -0.135 -4.253 10.426 502 HD13 ILE 106 2HD1 ILE 106 -1.148 -5.669 10.149 503 H ILE 107 H ILE 107 -2.871 -0.657 5.842 504 HA ILE 107 HA ILE 107 -0.893 1.549 5.806 505 HB ILE 107 HB ILE 107 -1.907 2.206 3.543 506 HG12 ILE 107 2HG1 ILE 107 -2.926 -0.677 3.608 507 HG13 ILE 107 1HG1 ILE 107 -3.925 0.771 3.602 508 HG21 ILE 107 1HG2 ILE 107 -0.279 -0.357 3.633 509 HG22 ILE 107 2HG2 ILE 107 0.354 1.287 3.708 510 HG23 ILE 107 3HG2 ILE 107 -0.432 0.715 2.237 511 HD11 ILE 107 3HD1 ILE 107 -3.098 1.301 1.351 512 HD12 ILE 107 1HD1 ILE 107 -3.905 -0.264 1.427 513 HD13 ILE 107 2HD1 ILE 107 -2.147 -0.184 1.371 514 H GLU 108 H GLU 108 -1.670 3.397 6.647 515 HA GLU 108 HA GLU 108 -4.596 3.733 6.970 516 HB2 GLU 108 2HB GLU 108 -2.358 5.164 8.480 517 HB3 GLU 108 1HB GLU 108 -4.080 5.406 8.722 518 HG2 GLU 108 2HG GLU 108 -3.458 4.058 10.511 519 HG3 GLU 108 1HG GLU 108 -4.174 2.919 9.369 520 H GLY 109 H GLY 109 -5.520 5.683 6.387 521 HA2 GLY 109 2HA GLY 109 -4.441 8.097 5.744 522 HA3 GLY 109 1HA GLY 109 -4.310 7.171 4.243 523 H GLY 110 H GLY 110 -5.959 7.568 2.904 524 HA2 GLY 110 2HA GLY 110 -8.704 7.309 3.914 525 HA3 GLY 110 1HA GLY 110 -8.269 8.801 3.089 526 H LEU 111 H LEU 111 -10.260 7.018 2.255 527 HA LEU 111 HA LEU 111 -9.251 6.536 -0.489 528 HB2 LEU 111 2HB LEU 111 -9.681 4.366 0.591 529 HB3 LEU 111 1HB LEU 111 -11.290 4.884 1.057 530 HG LEU 111 HG LEU 111 -12.015 4.895 -1.303 531 HD11 LEU 111 1HD1 LEU 111 -10.597 4.058 -3.115 532 HD12 LEU 111 2HD1 LEU 111 -9.225 3.946 -2.012 533 HD13 LEU 111 3HD1 LEU 111 -9.924 5.519 -2.397 534 HD21 LEU 111 3HD2 LEU 111 -12.277 2.821 -0.010 535 HD22 LEU 111 1HD2 LEU 111 -10.677 2.275 -0.523 536 HD23 LEU 111 2HD2 LEU 111 -11.975 2.459 -1.707 537 H ALA 112 H ALA 112 -10.156 7.914 -1.820 538 HA ALA 112 HA ALA 112 -12.502 9.489 -1.104 539 HB1 ALA 112 3HB ALA 112 -10.571 10.622 -2.136 540 HB2 ALA 112 1HB ALA 112 -11.997 10.771 -3.165 541 HB3 ALA 112 2HB ALA 112 -10.723 9.616 -3.576 542 HA PRO 113 HA PRO 113 -15.245 6.615 -3.256 543 HB2 PRO 113 2HB PRO 113 -17.478 8.185 -3.502 544 HB3 PRO 113 1HB PRO 113 -16.963 7.493 -1.959 545 HG2 PRO 113 2HG PRO 113 -16.460 10.271 -3.048 546 HG3 PRO 113 1HG PRO 113 -17.037 9.797 -1.435 547 HD2 PRO 113 2HD PRO 113 -14.449 10.431 -1.863 548 HD3 PRO 113 1HD PRO 113 -14.901 9.143 -0.720 549 H GLY 114 H GLY 114 -14.515 9.777 -4.580 550 HA2 GLY 114 2HA GLY 114 -15.480 9.309 -7.261 551 HA3 GLY 114 1HA GLY 114 -14.441 10.615 -6.715 552 H GLU 115 H GLU 115 -12.646 8.412 -5.504 553 HA GLU 115 HA GLU 115 -11.095 7.796 -7.960 554 HB2 GLU 115 2HB GLU 115 -10.140 8.099 -5.068 555 HB3 GLU 115 1HB GLU 115 -9.119 7.646 -6.436 556 HG2 GLU 115 2HG GLU 115 -9.602 9.840 -7.490 557 HG3 GLU 115 1HG GLU 115 -10.545 10.297 -6.067 558 H ASP 116 H ASP 116 -10.069 5.782 -8.129 559 HA ASP 116 HA ASP 116 -11.051 3.588 -6.376 560 HB2 ASP 116 2HB ASP 116 -9.890 3.440 -9.201 561 HB3 ASP 116 1HB ASP 116 -10.444 2.059 -8.256 562 H THR 117 H THR 117 -8.905 5.469 -5.727 563 HA THR 117 HA THR 117 -6.693 3.605 -5.369 564 HB THR 117 HB THR 117 -5.894 4.851 -7.257 565 HG1 THR 117 HG1 THR 117 -4.708 5.971 -4.910 566 HG21 THR 117 3HG2 THR 117 -5.651 7.308 -7.289 567 HG22 THR 117 1HG2 THR 117 -6.479 7.417 -5.733 568 HG23 THR 117 2HG2 THR 117 -7.352 6.846 -7.160 569 H PHE 118 H PHE 118 -6.303 3.438 -3.327 570 HA PHE 118 HA PHE 118 -7.155 5.274 -1.269 571 HB2 PHE 118 2HB PHE 118 -7.219 2.801 -0.972 572 HB3 PHE 118 1HB PHE 118 -5.480 2.712 -1.200 573 HD1 PHE 118 HD1 PHE 118 -3.934 3.491 0.590 574 HD2 PHE 118 HD2 PHE 118 -8.166 3.506 1.160 575 HE1 PHE 118 HE1 PHE 118 -3.620 3.712 3.021 576 HE2 PHE 118 HE2 PHE 118 -7.827 3.735 3.579 577 HZ PHE 118 HZ PHE 118 -5.565 3.835 4.506 578 H LYS 119 H LYS 119 -5.837 6.917 -0.407 579 HA LYS 119 HA LYS 119 -2.988 6.963 -1.185 580 HB2 LYS 119 2HB LYS 119 -2.907 9.323 -0.537 581 HB3 LYS 119 1HB LYS 119 -4.177 9.053 -1.708 582 HG2 LYS 119 2HG LYS 119 -4.732 9.309 1.251 583 HG3 LYS 119 1HG LYS 119 -4.636 10.707 0.190 584 HD2 LYS 119 2HD LYS 119 -6.618 8.420 -0.168 585 HD3 LYS 119 1HD LYS 119 -6.971 9.912 0.692 586 HE2 LYS 119 2HE LYS 119 -7.902 10.125 -1.493 587 HE3 LYS 119 1HE LYS 119 -6.476 11.154 -1.449 588 HZ1 LYS 119 3HZ LYS 119 -5.259 9.440 -2.647 589 HZ2 LYS 119 1HZ LYS 119 -6.628 9.931 -3.503 590 HZ3 LYS 119 2HZ LYS 119 -6.632 8.457 -2.682 591 H ALA 120 H ALA 120 -1.554 6.187 0.179 592 HA ALA 120 HA ALA 120 -2.165 5.945 3.075 593 HB1 ALA 120 3HB ALA 120 -1.870 3.803 1.878 594 HB2 ALA 120 1HB ALA 120 -0.574 4.053 3.048 595 HB3 ALA 120 2HB ALA 120 -0.277 4.324 1.326 596 H ARG 121 H ARG 121 -0.939 7.137 4.430 597 HA ARG 121 HA ARG 121 1.568 8.367 3.470 598 HB2 ARG 121 2HB ARG 121 1.404 9.973 5.217 599 HB3 ARG 121 1HB ARG 121 -0.215 9.834 4.556 600 HG2 ARG 121 2HG ARG 121 0.704 8.497 7.136 601 HG3 ARG 121 1HG ARG 121 -0.097 10.064 7.056 602 HD2 ARG 121 2HD ARG 121 -2.087 9.039 6.105 603 HD3 ARG 121 1HD ARG 121 -1.297 7.461 6.086 604 HE ARG 121 HE ARG 121 -1.267 7.533 8.535 605 HH11 ARG 121 1HH1 ARG 121 -3.518 9.744 6.926 606 HH12 ARG 121 2HH1 ARG 121 -4.527 9.898 8.326 607 HH21 ARG 121 1HH2 ARG 121 -2.638 7.742 10.328 608 HH22 ARG 121 2HH2 ARG 121 -4.030 8.774 10.240 609 H THR 122 H THR 122 0.551 5.647 5.097 610 HA THR 122 HA THR 122 3.117 5.211 6.470 611 HB THR 122 HB THR 122 1.768 3.987 8.299 612 HG1 THR 122 HG1 THR 122 -0.322 3.983 8.105 613 HG21 THR 122 3HG2 THR 122 1.418 6.997 8.153 614 HG22 THR 122 1HG2 THR 122 2.843 6.153 8.774 615 HG23 THR 122 2HG2 THR 122 1.293 6.008 9.610 616 H LEU 123 H LEU 123 3.638 2.970 6.705 617 HA LEU 123 HA LEU 123 2.197 0.953 5.153 618 HB2 LEU 123 2HB LEU 123 3.593 2.260 3.499 619 HB3 LEU 123 1HB LEU 123 5.022 1.844 4.424 620 HG LEU 123 HG LEU 123 4.533 -0.603 3.909 621 HD11 LEU 123 1HD1 LEU 123 3.061 -1.114 2.011 622 HD12 LEU 123 2HD1 LEU 123 2.523 0.567 1.965 623 HD13 LEU 123 3HD1 LEU 123 2.165 -0.437 3.371 624 HD21 LEU 123 3HD2 LEU 123 5.468 -0.499 1.649 625 HD22 LEU 123 1HD2 LEU 123 6.256 0.646 2.725 626 HD23 LEU 123 2HD2 LEU 123 5.077 1.218 1.548 627 H MET 124 H MET 124 2.200 -0.638 6.619 628 HA MET 124 HA MET 124 4.667 -1.376 8.081 629 HB2 MET 124 2HB MET 124 3.302 -0.012 9.623 630 HB3 MET 124 1HB MET 124 1.874 -0.973 9.276 631 HG2 MET 124 2HG MET 124 2.960 -2.935 10.355 632 HG3 MET 124 1HG MET 124 4.354 -1.923 10.737 633 HE1 MET 124 3HE MET 124 0.143 -1.213 12.551 634 HE2 MET 124 1HE MET 124 0.488 -2.498 11.394 635 HE3 MET 124 2HE MET 124 0.522 -0.809 10.878 636 H THR 125 H THR 125 5.085 -3.454 7.488 637 HA THR 125 HA THR 125 3.027 -5.192 6.435 638 HB THR 125 HB THR 125 4.894 -6.845 6.157 639 HG1 THR 125 HG1 THR 125 6.877 -6.442 6.929 640 HG21 THR 125 3HG2 THR 125 6.210 -5.570 4.495 641 HG22 THR 125 1HG2 THR 125 5.573 -4.055 5.140 642 HG23 THR 125 2HG2 THR 125 4.489 -5.209 4.356 643 H LYS 126 H LYS 126 2.411 -7.218 7.292 644 HA LYS 126 HA LYS 126 2.194 -7.369 10.172 645 HB2 LYS 126 2HB LYS 126 1.377 -9.361 8.013 646 HB3 LYS 126 1HB LYS 126 0.937 -9.481 9.717 647 HG2 LYS 126 2HG LYS 126 -0.308 -7.330 9.512 648 HG3 LYS 126 1HG LYS 126 0.086 -7.296 7.791 649 HD2 LYS 126 2HD LYS 126 -1.144 -9.424 7.465 650 HD3 LYS 126 1HD LYS 126 -1.537 -9.462 9.188 651 HE2 LYS 126 2HE LYS 126 -2.811 -7.358 8.939 652 HE3 LYS 126 1HE LYS 126 -2.410 -7.320 7.218 653 HZ1 LYS 126 3HZ LYS 126 -3.901 -9.527 8.527 654 HZ2 LYS 126 1HZ LYS 126 -3.650 -9.305 6.870 655 HZ3 LYS 126 2HZ LYS 126 -4.636 -8.231 7.731 656 H CYS 127 H CYS 127 3.916 -9.125 7.620 657 HA CYS 127 HA CYS 127 5.650 -10.481 9.589 658 HB2 CYS 127 2HB CYS 127 4.671 -11.898 7.808 659 HB3 CYS 127 1HB CYS 127 5.401 -10.874 6.574 660 HG CYS 127 HG CYS 127 7.083 -12.824 8.822 661 HA PRO 128 HA PRO 128 8.614 -7.084 8.527 662 HB2 PRO 128 2HB PRO 128 10.462 -7.735 10.461 663 HB3 PRO 128 1HB PRO 128 9.013 -6.784 10.812 664 HG2 PRO 128 2HG PRO 128 9.471 -9.747 11.188 665 HG3 PRO 128 1HG PRO 128 8.763 -8.582 12.332 666 HD2 PRO 128 2HD PRO 128 7.206 -10.208 10.844 667 HD3 PRO 128 1HD PRO 128 6.696 -8.540 11.198 668 H LEU 129 H LEU 129 10.636 -7.166 7.453 669 HA LEU 129 HA LEU 129 11.170 -9.455 5.913 670 HB2 LEU 129 2HB LEU 129 12.994 -8.285 4.921 671 HB3 LEU 129 1HB LEU 129 11.705 -7.134 5.195 672 HG LEU 129 HG LEU 129 14.272 -7.355 6.827 673 HD11 LEU 129 1HD1 LEU 129 13.412 -5.230 4.849 674 HD12 LEU 129 2HD1 LEU 129 14.643 -6.476 4.588 675 HD13 LEU 129 3HD1 LEU 129 14.894 -5.237 5.813 676 HD21 LEU 129 3HD2 LEU 129 13.616 -5.258 7.930 677 HD22 LEU 129 1HD2 LEU 129 12.471 -6.555 8.270 678 HD23 LEU 129 2HD2 LEU 129 12.055 -5.301 7.099 679 H GLU 130 H GLU 130 12.588 -11.114 6.095 680 HA GLU 130 HA GLU 130 14.272 -11.306 8.513 681 HB2 GLU 130 2HB GLU 130 13.476 -13.657 8.838 682 HB3 GLU 130 1HB GLU 130 12.213 -12.456 9.078 683 HG2 GLU 130 2HG GLU 130 11.283 -12.974 6.859 684 HG3 GLU 130 1HG GLU 130 12.560 -14.155 6.583 Start of MODEL 11 1 H1 MET 43 1H MET 43 -25.899 21.701 14.375 2 H2 MET 43 2H MET 43 -24.236 21.529 14.581 3 H3 MET 43 3H MET 43 -25.237 21.561 15.937 4 HA MET 43 HA MET 43 -24.483 19.340 15.441 5 HB2 MET 43 2HB MET 43 -26.666 19.680 16.548 6 HB3 MET 43 1HB MET 43 -27.461 19.793 14.983 7 HG2 MET 43 2HG MET 43 -27.842 17.603 15.995 8 HG3 MET 43 1HG MET 43 -26.896 17.447 14.519 9 HE1 MET 43 3HE MET 43 -26.854 17.289 18.448 10 HE2 MET 43 1HE MET 43 -25.650 18.547 18.165 11 HE3 MET 43 2HE MET 43 -25.153 16.972 18.789 12 H ALA 44 H ALA 44 -23.229 18.948 13.678 13 HA ALA 44 HA ALA 44 -24.413 17.800 11.320 14 HB1 ALA 44 3HB ALA 44 -23.294 19.341 9.701 15 HB2 ALA 44 1HB ALA 44 -22.771 20.366 11.046 16 HB3 ALA 44 2HB ALA 44 -24.486 20.192 10.681 17 H THR 45 H THR 45 -22.751 17.002 13.517 18 HA THR 45 HA THR 45 -20.861 16.138 14.276 19 HB THR 45 HB THR 45 -19.499 14.680 12.844 20 HG1 THR 45 HG1 THR 45 -19.986 16.325 10.920 21 HG21 THR 45 3HG2 THR 45 -21.684 13.795 13.573 22 HG22 THR 45 1HG2 THR 45 -21.252 13.172 11.983 23 HG23 THR 45 2HG2 THR 45 -22.450 14.458 12.129 24 HA PRO 46 HA PRO 46 -17.869 19.567 14.189 25 HB2 PRO 46 2HB PRO 46 -16.216 17.536 15.704 26 HB3 PRO 46 1HB PRO 46 -16.536 19.237 16.086 27 HG2 PRO 46 2HG PRO 46 -17.802 17.319 17.417 28 HG3 PRO 46 1HG PRO 46 -18.689 18.774 16.917 29 HD2 PRO 46 2HD PRO 46 -18.715 16.019 15.692 30 HD3 PRO 46 1HD PRO 46 -20.064 17.152 15.944 31 H GLN 47 H GLN 47 -15.869 20.028 13.138 32 HA GLN 47 HA GLN 47 -15.379 18.651 10.759 33 HB2 GLN 47 2HB GLN 47 -14.808 21.060 11.162 34 HB3 GLN 47 1HB GLN 47 -13.451 20.560 12.167 35 HG2 GLN 47 2HG GLN 47 -12.651 21.166 9.958 36 HG3 GLN 47 1HG GLN 47 -12.435 19.432 10.196 37 HE21 GLN 47 1HE2 GLN 47 -12.426 18.894 8.049 38 HE22 GLN 47 2HE2 GLN 47 -13.797 19.045 7.015 39 H ASP 48 H ASP 48 -14.018 17.071 10.148 40 HA ASP 48 HA ASP 48 -13.419 15.099 11.996 41 HB2 ASP 48 2HB ASP 48 -12.390 13.875 10.144 42 HB3 ASP 48 1HB ASP 48 -13.892 14.634 9.635 43 H LYS 49 H LYS 49 -11.619 14.359 12.987 44 HA LYS 49 HA LYS 49 -9.433 16.245 13.414 45 HB2 LYS 49 2HB LYS 49 -9.995 13.534 14.717 46 HB3 LYS 49 1HB LYS 49 -8.800 14.712 15.261 47 HG2 LYS 49 2HG LYS 49 -11.807 15.140 15.213 48 HG3 LYS 49 1HG LYS 49 -10.847 14.750 16.644 49 HD2 LYS 49 2HD LYS 49 -9.646 16.879 16.471 50 HD3 LYS 49 1HD LYS 49 -10.465 17.259 14.951 51 HE2 LYS 49 2HE LYS 49 -11.832 16.940 17.646 52 HE3 LYS 49 1HE LYS 49 -11.449 18.477 16.866 53 HZ1 LYS 49 3HZ LYS 49 -12.919 17.893 15.039 54 HZ2 LYS 49 1HZ LYS 49 -13.754 17.832 16.507 55 HZ3 LYS 49 2HZ LYS 49 -13.267 16.401 15.755 56 H LEU 50 H LEU 50 -9.599 12.724 12.820 57 HA LEU 50 HA LEU 50 -7.191 12.892 11.094 58 HB2 LEU 50 2HB LEU 50 -8.123 10.509 12.754 59 HB3 LEU 50 1HB LEU 50 -6.669 10.587 11.770 60 HG LEU 50 HG LEU 50 -7.178 12.170 14.335 61 HD11 LEU 50 1HD1 LEU 50 -5.395 10.795 15.307 62 HD12 LEU 50 2HD1 LEU 50 -5.256 9.873 13.807 63 HD13 LEU 50 3HD1 LEU 50 -6.742 9.797 14.761 64 HD21 LEU 50 3HD2 LEU 50 -5.827 13.499 12.789 65 HD22 LEU 50 1HD2 LEU 50 -4.706 12.156 12.565 66 HD23 LEU 50 2HD2 LEU 50 -4.844 12.946 14.140 67 H HIS 51 H HIS 51 -10.168 11.006 11.764 68 HA HIS 51 HA HIS 51 -11.714 9.946 10.494 69 HB2 HIS 51 2HB HIS 51 -12.060 12.272 9.695 70 HB3 HIS 51 1HB HIS 51 -10.901 12.005 8.401 71 HD1 HIS 51 HD1 HIS 51 -12.200 11.903 6.297 72 HD2 HIS 51 HD2 HIS 51 -14.115 9.865 9.368 73 HE1 HIS 51 HE1 HIS 51 -14.268 10.918 5.261 74 HE2 HIS 51 HE2 HIS 51 -15.433 9.730 7.144 75 H THR 52 H THR 52 -8.905 9.088 10.380 76 HA THR 52 HA THR 52 -8.178 8.322 7.734 77 HB THR 52 HB THR 52 -6.970 7.409 10.385 78 HG1 THR 52 HG1 THR 52 -7.095 9.881 9.298 79 HG21 THR 52 3HG2 THR 52 -6.174 6.174 8.373 80 HG22 THR 52 1HG2 THR 52 -4.907 7.155 9.108 81 HG23 THR 52 2HG2 THR 52 -5.707 7.710 7.639 82 H VAL 53 H VAL 53 -8.316 6.345 6.773 83 HA VAL 53 HA VAL 53 -9.833 4.187 8.115 84 HB VAL 53 HB VAL 53 -9.401 4.611 5.116 85 HG11 VAL 53 1HG1 VAL 53 -11.203 2.638 6.586 86 HG12 VAL 53 2HG1 VAL 53 -9.721 2.228 5.713 87 HG13 VAL 53 3HG1 VAL 53 -11.122 2.846 4.834 88 HG21 VAL 53 3HG2 VAL 53 -11.779 5.281 5.014 89 HG22 VAL 53 1HG2 VAL 53 -10.844 6.393 6.021 90 HG23 VAL 53 2HG2 VAL 53 -11.888 5.181 6.773 91 H ARG 54 H ARG 54 -8.789 2.283 8.436 92 HA ARG 54 HA ARG 54 -6.143 1.834 7.181 93 HB2 ARG 54 2HB ARG 54 -5.936 2.279 9.601 94 HB3 ARG 54 1HB ARG 54 -7.083 0.991 9.961 95 HG2 ARG 54 2HG ARG 54 -5.547 -0.703 9.199 96 HG3 ARG 54 1HG ARG 54 -4.442 0.508 8.540 97 HD2 ARG 54 2HD ARG 54 -3.623 -0.420 10.668 98 HD3 ARG 54 1HD ARG 54 -3.935 1.310 10.789 99 HE ARG 54 HE ARG 54 -5.803 -0.753 11.810 100 HH11 ARG 54 1HH1 ARG 54 -4.170 2.332 12.226 101 HH12 ARG 54 2HH1 ARG 54 -4.805 2.584 13.821 102 HH21 ARG 54 1HH2 ARG 54 -6.620 -0.424 13.886 103 HH22 ARG 54 2HH2 ARG 54 -6.213 1.018 14.763 104 H LEU 55 H LEU 55 -5.999 0.059 5.982 105 HA LEU 55 HA LEU 55 -7.959 -2.141 6.262 106 HB2 LEU 55 2HB LEU 55 -6.912 -0.900 3.682 107 HB3 LEU 55 1HB LEU 55 -7.803 -2.415 3.746 108 HG LEU 55 HG LEU 55 -8.912 0.256 4.648 109 HD11 LEU 55 1HD1 LEU 55 -8.532 0.282 2.225 110 HD12 LEU 55 2HD1 LEU 55 -10.253 0.250 2.597 111 HD13 LEU 55 3HD1 LEU 55 -9.448 -1.226 2.057 112 HD21 LEU 55 3HD2 LEU 55 -11.093 -0.888 4.672 113 HD22 LEU 55 1HD2 LEU 55 -9.967 -1.618 5.806 114 HD23 LEU 55 2HD2 LEU 55 -10.298 -2.411 4.263 115 H PHE 56 H PHE 56 -7.130 -4.044 4.929 116 HA PHE 56 HA PHE 56 -4.242 -4.518 5.357 117 HB2 PHE 56 2HB PHE 56 -6.412 -6.459 6.301 118 HB3 PHE 56 1HB PHE 56 -4.676 -6.644 6.506 119 HD1 PHE 56 HD1 PHE 56 -3.478 -5.370 8.243 120 HD2 PHE 56 HD2 PHE 56 -7.696 -4.945 7.754 121 HE1 PHE 56 HE1 PHE 56 -3.626 -4.240 10.425 122 HE2 PHE 56 HE2 PHE 56 -7.836 -3.815 9.933 123 HZ PHE 56 HZ PHE 56 -5.798 -3.462 11.267 124 H GLY 57 H GLY 57 -3.367 -6.049 3.970 125 HA2 GLY 57 2HA GLY 57 -4.757 -7.927 2.390 126 HA3 GLY 57 1HA GLY 57 -4.489 -6.473 1.423 127 H THR 58 H THR 58 -3.223 -8.183 0.194 128 HA THR 58 HA THR 58 -0.426 -8.286 1.206 129 HB THR 58 HB THR 58 -1.816 -10.371 -0.548 130 HG1 THR 58 HG1 THR 58 -2.518 -10.374 1.647 131 HG21 THR 58 3HG2 THR 58 0.615 -10.251 -0.987 132 HG22 THR 58 1HG2 THR 58 0.192 -11.758 -0.168 133 HG23 THR 58 2HG2 THR 58 0.946 -10.440 0.736 134 H VAL 59 H VAL 59 1.189 -7.836 -0.299 135 HA VAL 59 HA VAL 59 0.500 -5.991 -2.392 136 HB VAL 59 HB VAL 59 3.225 -7.208 -1.739 137 HG11 VAL 59 1HG1 VAL 59 4.157 -5.181 -2.815 138 HG12 VAL 59 2HG1 VAL 59 2.526 -4.652 -3.230 139 HG13 VAL 59 3HG1 VAL 59 3.183 -6.127 -3.947 140 HG21 VAL 59 3HG2 VAL 59 2.266 -6.146 0.266 141 HG22 VAL 59 1HG2 VAL 59 2.002 -4.650 -0.637 142 HG23 VAL 59 2HG2 VAL 59 3.645 -5.228 -0.344 143 H ALA 60 H ALA 60 -0.199 -6.696 -4.350 144 HA ALA 60 HA ALA 60 0.547 -9.250 -5.481 145 HB1 ALA 60 3HB ALA 60 -1.027 -6.944 -6.699 146 HB2 ALA 60 1HB ALA 60 -1.706 -8.343 -5.851 147 HB3 ALA 60 2HB ALA 60 -0.861 -8.567 -7.384 148 H ALA 61 H ALA 61 1.809 -9.564 -7.304 149 HA ALA 61 HA ALA 61 4.069 -7.819 -7.656 150 HB1 ALA 61 3HB ALA 61 4.304 -10.272 -7.706 151 HB2 ALA 61 1HB ALA 61 4.891 -9.542 -9.204 152 HB3 ALA 61 2HB ALA 61 3.315 -10.341 -9.166 153 H ASP 62 H ASP 62 1.006 -7.798 -8.900 154 HA ASP 62 HA ASP 62 1.600 -6.759 -11.552 155 HB2 ASP 62 2HB ASP 62 -1.085 -7.003 -10.104 156 HB3 ASP 62 1HB ASP 62 -0.839 -6.671 -11.821 157 H GLY 63 H GLY 63 1.908 -4.617 -11.893 158 HA2 GLY 63 2HA GLY 63 1.376 -2.364 -11.969 159 HA3 GLY 63 1HA GLY 63 0.083 -2.657 -10.822 160 H LEU 64 H LEU 64 3.148 -3.795 -9.813 161 HA LEU 64 HA LEU 64 3.335 -1.855 -7.687 162 HB2 LEU 64 2HB LEU 64 3.899 -4.389 -7.612 163 HB3 LEU 64 1HB LEU 64 5.415 -3.966 -8.379 164 HG LEU 64 HG LEU 64 4.539 -2.792 -5.698 165 HD11 LEU 64 1HD1 LEU 64 4.678 -5.218 -5.457 166 HD12 LEU 64 2HD1 LEU 64 6.005 -4.434 -4.603 167 HD13 LEU 64 3HD1 LEU 64 6.298 -5.221 -6.160 168 HD21 LEU 64 3HD2 LEU 64 6.297 -1.480 -6.824 169 HD22 LEU 64 1HD2 LEU 64 7.296 -2.929 -6.986 170 HD23 LEU 64 2HD2 LEU 64 6.934 -2.272 -5.387 171 H THR 65 H THR 65 3.623 0.036 -8.718 172 HA THR 65 HA THR 65 6.143 0.566 -10.185 173 HB THR 65 HB THR 65 3.584 2.247 -10.217 174 HG1 THR 65 HG1 THR 65 4.365 0.017 -11.664 175 HG21 THR 65 3HG2 THR 65 5.624 3.556 -10.754 176 HG22 THR 65 1HG2 THR 65 4.613 3.345 -12.186 177 HG23 THR 65 2HG2 THR 65 6.068 2.368 -11.982 178 H MET 66 H MET 66 7.615 1.768 -9.150 179 HA MET 66 HA MET 66 7.096 2.934 -6.522 180 HB2 MET 66 2HB MET 66 9.665 2.933 -8.186 181 HB3 MET 66 1HB MET 66 9.532 3.377 -6.489 182 HG2 MET 66 2HG MET 66 9.014 0.612 -7.599 183 HG3 MET 66 1HG MET 66 10.513 1.128 -6.833 184 HE1 MET 66 3HE MET 66 9.330 1.713 -3.117 185 HE2 MET 66 1HE MET 66 9.399 2.936 -4.382 186 HE3 MET 66 2HE MET 66 10.702 1.756 -4.226 187 H LEU 67 H LEU 67 7.029 5.224 -6.150 188 HA LEU 67 HA LEU 67 6.165 6.796 -8.354 189 HB2 LEU 67 2HB LEU 67 6.849 7.588 -5.508 190 HB3 LEU 67 1HB LEU 67 6.156 8.693 -6.686 191 HG LEU 67 HG LEU 67 4.826 6.208 -5.521 192 HD11 LEU 67 1HD1 LEU 67 4.127 9.151 -5.259 193 HD12 LEU 67 2HD1 LEU 67 4.815 8.119 -4.003 194 HD13 LEU 67 3HD1 LEU 67 3.191 7.804 -4.602 195 HD21 LEU 67 3HD2 LEU 67 2.843 6.766 -6.866 196 HD22 LEU 67 1HD2 LEU 67 4.224 6.387 -7.896 197 HD23 LEU 67 2HD2 LEU 67 3.732 8.068 -7.663 198 H ASP 68 H ASP 68 7.201 8.271 -9.605 199 HA ASP 68 HA ASP 68 10.127 8.201 -9.633 200 HB2 ASP 68 2HB ASP 68 8.140 9.461 -11.582 201 HB3 ASP 68 1HB ASP 68 9.877 9.347 -11.839 202 H GLY 69 H GLY 69 11.267 9.709 -8.563 203 HA2 GLY 69 2HA GLY 69 12.048 11.840 -8.045 204 HA3 GLY 69 1HA GLY 69 10.593 12.549 -8.727 205 H ALA 70 H ALA 70 8.542 11.740 -7.385 206 HA ALA 70 HA ALA 70 8.784 12.705 -4.697 207 HB1 ALA 70 3HB ALA 70 6.444 11.369 -6.104 208 HB2 ALA 70 1HB ALA 70 6.766 13.104 -6.026 209 HB3 ALA 70 2HB ALA 70 6.369 12.217 -4.555 210 HA PRO 71 HA PRO 71 9.642 8.658 -2.844 211 HB2 PRO 71 2HB PRO 71 9.173 9.203 -0.215 212 HB3 PRO 71 1HB PRO 71 10.591 9.826 -1.073 213 HG2 PRO 71 2HG PRO 71 7.981 11.218 -0.460 214 HG3 PRO 71 1HG PRO 71 9.640 11.827 -0.277 215 HD2 PRO 71 2HD PRO 71 8.081 12.456 -2.434 216 HD3 PRO 71 1HD PRO 71 9.851 12.323 -2.550 217 H GLY 72 H GLY 72 8.425 6.855 -2.672 218 HA2 GLY 72 2HA GLY 72 6.419 6.030 -1.204 219 HA3 GLY 72 1HA GLY 72 5.518 7.039 -2.330 220 H VAL 73 H VAL 73 4.445 4.917 -2.713 221 HA VAL 73 HA VAL 73 5.433 3.713 -5.134 222 HB VAL 73 HB VAL 73 6.733 2.342 -3.559 223 HG11 VAL 73 1HG1 VAL 73 5.374 2.575 -1.515 224 HG12 VAL 73 2HG1 VAL 73 5.697 0.872 -1.855 225 HG13 VAL 73 3HG1 VAL 73 4.114 1.566 -2.221 226 HG21 VAL 73 3HG2 VAL 73 6.012 0.094 -4.262 227 HG22 VAL 73 1HG2 VAL 73 5.863 1.236 -5.599 228 HG23 VAL 73 2HG2 VAL 73 4.425 0.719 -4.712 229 H ARG 74 H ARG 74 3.725 3.227 -6.365 230 HA ARG 74 HA ARG 74 1.091 2.736 -5.138 231 HB2 ARG 74 2HB ARG 74 1.238 4.527 -6.881 232 HB3 ARG 74 1HB ARG 74 1.764 3.319 -8.054 233 HG2 ARG 74 2HG ARG 74 -0.387 2.141 -7.842 234 HG3 ARG 74 1HG ARG 74 -0.909 3.279 -6.595 235 HD2 ARG 74 2HD ARG 74 -0.816 5.115 -8.246 236 HD3 ARG 74 1HD ARG 74 -0.301 3.966 -9.489 237 HE ARG 74 HE ARG 74 -2.673 2.998 -8.407 238 HH11 ARG 74 1HH1 ARG 74 -1.685 5.769 -10.329 239 HH12 ARG 74 2HH1 ARG 74 -3.252 5.975 -11.036 240 HH21 ARG 74 1HH2 ARG 74 -4.702 3.280 -9.331 241 HH22 ARG 74 2HH2 ARG 74 -4.971 4.568 -10.458 242 H PHE 75 H PHE 75 0.048 0.774 -5.462 243 HA PHE 75 HA PHE 75 1.052 -1.279 -7.220 244 HB2 PHE 75 2HB PHE 75 1.668 -2.930 -5.479 245 HB3 PHE 75 1HB PHE 75 2.712 -1.519 -5.411 246 HD1 PHE 75 HD2 PHE 75 2.402 0.174 -3.543 247 HD2 PHE 75 HD1 PHE 75 0.336 -3.575 -3.563 248 HE1 PHE 75 HE2 PHE 75 1.975 0.391 -1.125 249 HE2 PHE 75 HE1 PHE 75 -0.099 -3.349 -1.155 250 HZ PHE 75 HZ PHE 75 0.725 -1.375 0.066 251 H ARG 76 H ARG 76 -0.164 -3.389 -6.837 252 HA ARG 76 HA ARG 76 -2.998 -2.748 -6.369 253 HB2 ARG 76 2HB ARG 76 -1.575 -5.030 -7.794 254 HB3 ARG 76 1HB ARG 76 -3.299 -5.075 -7.439 255 HG2 ARG 76 2HG ARG 76 -3.677 -3.095 -8.783 256 HG3 ARG 76 1HG ARG 76 -1.946 -2.918 -9.058 257 HD2 ARG 76 2HD ARG 76 -3.118 -3.857 -11.013 258 HD3 ARG 76 1HD ARG 76 -1.908 -4.963 -10.375 259 HE ARG 76 HE ARG 76 -4.411 -5.561 -9.251 260 HH11 ARG 76 1HH1 ARG 76 -2.754 -5.869 -12.332 261 HH12 ARG 76 2HH1 ARG 76 -3.709 -7.221 -12.847 262 HH21 ARG 76 1HH2 ARG 76 -5.675 -7.303 -9.938 263 HH22 ARG 76 2HH2 ARG 76 -5.372 -8.026 -11.484 264 H LEU 77 H LEU 77 -3.946 -3.382 -4.543 265 HA LEU 77 HA LEU 77 -2.558 -5.238 -2.711 266 HB2 LEU 77 2HB LEU 77 -3.093 -2.885 -1.912 267 HB3 LEU 77 1HB LEU 77 -4.797 -3.268 -2.071 268 HG LEU 77 HG LEU 77 -4.338 -5.229 -0.430 269 HD11 LEU 77 1HD1 LEU 77 -2.401 -4.936 1.054 270 HD12 LEU 77 2HD1 LEU 77 -1.819 -3.619 0.036 271 HD13 LEU 77 3HD1 LEU 77 -1.916 -5.260 -0.610 272 HD21 LEU 77 3HD2 LEU 77 -5.602 -3.236 0.242 273 HD22 LEU 77 1HD2 LEU 77 -4.098 -2.394 0.619 274 HD23 LEU 77 2HD2 LEU 77 -4.578 -3.812 1.557 275 H GLU 78 H GLU 78 -3.442 -7.171 -2.428 276 HA GLU 78 HA GLU 78 -5.932 -7.982 -3.625 277 HB2 GLU 78 2HB GLU 78 -4.111 -9.433 -1.646 278 HB3 GLU 78 1HB GLU 78 -5.407 -10.182 -2.585 279 HG2 GLU 78 2HG GLU 78 -4.231 -9.755 -4.669 280 HG3 GLU 78 1HG GLU 78 -3.001 -8.803 -3.836 281 H ASP 79 H ASP 79 -7.661 -6.956 -2.747 282 HA ASP 79 HA ASP 79 -7.889 -5.962 -0.146 283 HB2 ASP 79 2HB ASP 79 -9.202 -5.001 -1.946 284 HB3 ASP 79 1HB ASP 79 -10.038 -6.525 -2.228 285 H LYS 80 H LYS 80 -8.633 -6.744 1.724 286 HA LYS 80 HA LYS 80 -8.676 -9.546 2.148 287 HB2 LYS 80 2HB LYS 80 -9.040 -8.983 4.503 288 HB3 LYS 80 1HB LYS 80 -7.811 -7.941 3.795 289 HG2 LYS 80 2HG LYS 80 -9.530 -6.126 3.574 290 HG3 LYS 80 1HG LYS 80 -10.688 -7.174 4.399 291 HD2 LYS 80 2HD LYS 80 -8.111 -6.031 5.547 292 HD3 LYS 80 1HD LYS 80 -9.754 -5.583 5.993 293 HE2 LYS 80 2HE LYS 80 -8.440 -8.278 6.497 294 HE3 LYS 80 1HE LYS 80 -8.753 -7.033 7.704 295 HZ1 LYS 80 3HZ LYS 80 -10.428 -8.740 7.813 296 HZ2 LYS 80 1HZ LYS 80 -10.818 -8.539 6.179 297 HZ3 LYS 80 2HZ LYS 80 -11.136 -7.303 7.281 298 H ASP 81 H ASP 81 -11.194 -7.144 1.753 299 HA ASP 81 HA ASP 81 -13.382 -8.797 2.678 300 HB2 ASP 81 2HB ASP 81 -13.529 -6.360 2.880 301 HB3 ASP 81 1HB ASP 81 -13.276 -6.152 1.149 302 H ASN 82 H ASN 82 -12.183 -7.637 -0.460 303 HA ASN 82 HA ASN 82 -13.671 -9.777 -1.875 304 HB2 ASN 82 2HB ASN 82 -14.831 -7.553 -2.119 305 HB3 ASN 82 1HB ASN 82 -13.357 -6.883 -2.810 306 HD21 ASN 82 1HD2 ASN 82 -14.756 -10.100 -3.467 307 HD22 ASN 82 2HD2 ASN 82 -15.127 -9.779 -5.121 308 H THR 83 H THR 83 -11.803 -11.042 -2.043 309 HA THR 83 HA THR 83 -9.324 -10.009 -3.124 310 HB THR 83 HB THR 83 -9.393 -11.878 -1.441 311 HG1 THR 83 HG1 THR 83 -7.788 -11.576 -3.467 312 HG21 THR 83 3HG2 THR 83 -9.857 -14.182 -2.203 313 HG22 THR 83 1HG2 THR 83 -10.362 -13.570 -3.775 314 HG23 THR 83 2HG2 THR 83 -11.301 -13.177 -2.333 315 H SER 84 H SER 84 -12.230 -10.694 -4.551 316 HA SER 84 HA SER 84 -11.183 -11.352 -7.194 317 HB2 SER 84 2HB SER 84 -13.976 -10.455 -6.332 318 HB3 SER 84 1HB SER 84 -13.538 -11.113 -7.912 319 HG SER 84 HG SER 84 -14.260 -12.845 -6.841 320 H LYS 85 H LYS 85 -10.485 -8.845 -5.549 321 HA LYS 85 HA LYS 85 -10.456 -6.930 -7.724 322 HB2 LYS 85 2HB LYS 85 -12.599 -6.390 -6.659 323 HB3 LYS 85 1HB LYS 85 -11.852 -6.381 -5.066 324 HG2 LYS 85 2HG LYS 85 -10.522 -4.364 -5.750 325 HG3 LYS 85 1HG LYS 85 -11.369 -4.372 -7.301 326 HD2 LYS 85 2HD LYS 85 -12.375 -2.744 -5.740 327 HD3 LYS 85 1HD LYS 85 -13.524 -4.022 -6.151 328 HE2 LYS 85 2HE LYS 85 -12.958 -5.157 -3.977 329 HE3 LYS 85 1HE LYS 85 -11.913 -3.789 -3.570 330 HZ1 LYS 85 3HZ LYS 85 -14.103 -3.625 -2.568 331 HZ2 LYS 85 1HZ LYS 85 -14.831 -3.635 -4.091 332 HZ3 LYS 85 2HZ LYS 85 -13.831 -2.346 -3.640 333 H THR 86 H THR 86 -8.651 -5.692 -7.608 334 HA THR 86 HA THR 86 -7.063 -5.665 -5.117 335 HB THR 86 HB THR 86 -5.075 -5.158 -6.678 336 HG1 THR 86 HG1 THR 86 -7.077 -5.841 -8.550 337 HG21 THR 86 3HG2 THR 86 -4.650 -7.524 -7.219 338 HG22 THR 86 1HG2 THR 86 -6.343 -7.919 -6.923 339 HG23 THR 86 2HG2 THR 86 -5.317 -7.370 -5.593 340 H VAL 87 H VAL 87 -6.746 -3.732 -4.242 341 HA VAL 87 HA VAL 87 -7.788 -1.318 -5.593 342 HB VAL 87 HB VAL 87 -7.175 -1.807 -2.627 343 HG11 VAL 87 1HG1 VAL 87 -6.982 0.589 -3.170 344 HG12 VAL 87 2HG1 VAL 87 -8.418 0.299 -2.190 345 HG13 VAL 87 3HG1 VAL 87 -8.582 0.567 -3.925 346 HG21 VAL 87 3HG2 VAL 87 -9.617 -1.925 -2.306 347 HG22 VAL 87 1HG2 VAL 87 -9.064 -3.192 -3.403 348 HG23 VAL 87 2HG2 VAL 87 -9.871 -1.755 -4.046 349 H TRP 88 H TRP 88 -6.424 0.408 -6.011 350 HA TRP 88 HA TRP 88 -3.587 -0.049 -5.989 351 HB2 TRP 88 2HB TRP 88 -5.240 2.392 -6.774 352 HB3 TRP 88 1HB TRP 88 -3.497 2.251 -6.996 353 HD1 TRP 88 HD1 TRP 88 -6.758 1.347 -8.645 354 HE1 TRP 88 HE1 TRP 88 -6.282 0.151 -10.861 355 HE3 TRP 88 HE3 TRP 88 -1.751 0.474 -8.057 356 HZ2 TRP 88 HZ2 TRP 88 -4.086 -1.030 -12.199 357 HZ3 TRP 88 HZ3 TRP 88 -0.535 -0.662 -9.853 358 HH2 TRP 88 HH2 TRP 88 -1.677 -1.410 -11.882 359 H VAL 89 H VAL 89 -2.256 0.528 -4.379 360 HA VAL 89 HA VAL 89 -3.193 2.386 -2.275 361 HB VAL 89 HB VAL 89 -1.024 0.233 -2.215 362 HG11 VAL 89 1HG1 VAL 89 -2.035 1.999 0.040 363 HG12 VAL 89 2HG1 VAL 89 -0.456 2.128 -0.737 364 HG13 VAL 89 3HG1 VAL 89 -0.864 0.691 0.204 365 HG21 VAL 89 3HG2 VAL 89 -2.555 -0.969 -0.683 366 HG22 VAL 89 1HG2 VAL 89 -3.298 -0.722 -2.266 367 HG23 VAL 89 2HG2 VAL 89 -3.767 0.295 -0.900 368 H LEU 90 H LEU 90 -2.532 4.361 -2.840 369 HA LEU 90 HA LEU 90 0.068 4.851 -4.098 370 HB2 LEU 90 2HB LEU 90 -2.007 6.022 -4.921 371 HB3 LEU 90 1HB LEU 90 -2.163 6.795 -3.350 372 HG LEU 90 HG LEU 90 0.059 7.929 -3.750 373 HD11 LEU 90 1HD1 LEU 90 1.039 6.351 -5.344 374 HD12 LEU 90 2HD1 LEU 90 0.985 7.976 -6.029 375 HD13 LEU 90 3HD1 LEU 90 -0.197 6.764 -6.537 376 HD21 LEU 90 3HD2 LEU 90 -2.040 9.122 -4.189 377 HD22 LEU 90 1HD2 LEU 90 -2.083 8.470 -5.828 378 HD23 LEU 90 2HD2 LEU 90 -0.803 9.588 -5.353 379 H TYR 91 H TYR 91 1.441 4.394 -2.471 380 HA TYR 91 HA TYR 91 1.266 5.582 0.181 381 HB2 TYR 91 2HB TYR 91 2.135 3.289 0.029 382 HB3 TYR 91 1HB TYR 91 3.409 3.801 -1.076 383 HD1 TYR 91 HD1 TYR 91 2.114 4.837 2.316 384 HD2 TYR 91 HD2 TYR 91 5.541 3.943 -0.079 385 HE1 TYR 91 HE1 TYR 91 3.574 5.282 4.235 386 HE2 TYR 91 HE2 TYR 91 6.994 4.384 1.849 387 HH TYR 91 HH TYR 91 6.955 5.613 3.953 388 H LYS 92 H LYS 92 2.910 6.939 1.028 389 HA LYS 92 HA LYS 92 4.472 8.579 -0.820 390 HB2 LYS 92 2HB LYS 92 2.297 9.672 1.015 391 HB3 LYS 92 1HB LYS 92 3.539 10.683 0.286 392 HG2 LYS 92 2HG LYS 92 2.691 10.403 -1.886 393 HG3 LYS 92 1HG LYS 92 1.770 8.962 -1.463 394 HD2 LYS 92 2HD LYS 92 1.100 11.717 -0.369 395 HD3 LYS 92 1HD LYS 92 0.428 11.099 -1.873 396 HE2 LYS 92 2HE LYS 92 -1.179 10.741 -0.099 397 HE3 LYS 92 1HE LYS 92 -0.552 9.176 -0.610 398 HZ1 LYS 92 3HZ LYS 92 -0.785 9.516 1.834 399 HZ2 LYS 92 1HZ LYS 92 0.480 10.637 1.759 400 HZ3 LYS 92 2HZ LYS 92 0.748 9.016 1.332 401 H GLY 93 H GLY 93 6.430 8.729 0.026 402 HA2 GLY 93 2HA GLY 93 7.774 9.687 1.889 403 HA3 GLY 93 1HA GLY 93 6.859 8.646 2.972 404 H ALA 94 H ALA 94 9.135 8.035 3.526 405 HA ALA 94 HA ALA 94 10.764 6.524 1.786 406 HB1 ALA 94 3HB ALA 94 10.674 6.487 4.827 407 HB2 ALA 94 1HB ALA 94 11.620 7.600 3.834 408 HB3 ALA 94 2HB ALA 94 11.992 5.875 3.821 409 H VAL 95 H VAL 95 10.369 4.576 0.983 410 HA VAL 95 HA VAL 95 8.119 2.981 1.824 411 HB VAL 95 HB VAL 95 10.184 2.402 -0.357 412 HG11 VAL 95 1HG1 VAL 95 8.945 0.367 0.283 413 HG12 VAL 95 2HG1 VAL 95 8.460 0.893 -1.328 414 HG13 VAL 95 3HG1 VAL 95 7.405 1.204 0.053 415 HG21 VAL 95 3HG2 VAL 95 9.067 4.551 -0.775 416 HG22 VAL 95 1HG2 VAL 95 7.483 3.785 -0.603 417 HG23 VAL 95 2HG2 VAL 95 8.534 3.347 -1.951 418 HA PRO 96 HA PRO 96 10.568 0.346 4.616 419 HB2 PRO 96 2HB PRO 96 8.757 -1.788 4.714 420 HB3 PRO 96 1HB PRO 96 8.670 -0.349 5.732 421 HG2 PRO 96 2HG PRO 96 7.175 -0.962 3.191 422 HG3 PRO 96 1HG PRO 96 6.579 -0.218 4.692 423 HD2 PRO 96 2HD PRO 96 7.154 1.284 2.529 424 HD3 PRO 96 1HD PRO 96 7.505 1.884 4.168 425 H ASP 97 H ASP 97 12.207 -1.016 4.045 426 HA ASP 97 HA ASP 97 12.548 -2.050 1.436 427 HB2 ASP 97 2HB ASP 97 14.591 -3.111 2.290 428 HB3 ASP 97 1HB ASP 97 14.456 -1.470 2.893 429 H THR 98 H THR 98 11.094 -3.354 4.284 430 HA THR 98 HA THR 98 11.141 -6.137 3.604 431 HB THR 98 HB THR 98 9.400 -6.281 5.473 432 HG1 THR 98 HG1 THR 98 9.952 -3.739 6.362 433 HG21 THR 98 3HG2 THR 98 11.981 -4.809 6.140 434 HG22 THR 98 1HG2 THR 98 11.821 -6.556 5.939 435 HG23 THR 98 2HG2 THR 98 10.996 -5.743 7.269 436 H PHE 99 H PHE 99 9.260 -3.500 2.560 437 HA PHE 99 HA PHE 99 6.875 -4.764 1.680 438 HB2 PHE 99 2HB PHE 99 6.943 -2.357 1.741 439 HB3 PHE 99 1HB PHE 99 8.392 -2.297 0.754 440 HD1 PHE 99 HD1 PHE 99 4.741 -3.057 0.642 441 HD2 PHE 99 HD2 PHE 99 8.245 -2.120 -1.611 442 HE1 PHE 99 HE1 PHE 99 3.373 -2.717 -1.364 443 HE2 PHE 99 HE2 PHE 99 6.867 -1.785 -3.609 444 HZ PHE 99 HZ PHE 99 4.429 -2.086 -3.490 445 H LYS 100 H LYS 100 6.631 -6.247 0.156 446 HA LYS 100 HA LYS 100 8.334 -6.528 -2.176 447 HB2 LYS 100 2HB LYS 100 8.938 -8.919 -1.619 448 HB3 LYS 100 1HB LYS 100 9.699 -7.749 -0.546 449 HG2 LYS 100 2HG LYS 100 8.168 -8.252 1.241 450 HG3 LYS 100 1HG LYS 100 7.153 -9.225 0.174 451 HD2 LYS 100 2HD LYS 100 8.899 -10.915 -0.027 452 HD3 LYS 100 1HD LYS 100 10.015 -9.928 0.924 453 HE2 LYS 100 2HE LYS 100 7.366 -10.958 1.999 454 HE3 LYS 100 1HE LYS 100 8.893 -11.817 2.187 455 HZ1 LYS 100 3HZ LYS 100 8.326 -10.482 4.130 456 HZ2 LYS 100 1HZ LYS 100 8.356 -9.069 3.198 457 HZ3 LYS 100 2HZ LYS 100 9.775 -9.967 3.429 458 HA PRO 101 HA PRO 101 4.456 -8.294 -3.695 459 HB2 PRO 101 2HB PRO 101 5.955 -10.145 -5.491 460 HB3 PRO 101 1HB PRO 101 4.872 -8.812 -5.903 461 HG2 PRO 101 2HG PRO 101 7.550 -8.648 -6.293 462 HG3 PRO 101 1HG PRO 101 6.571 -7.227 -5.867 463 HD2 PRO 101 2HD PRO 101 8.334 -8.919 -4.093 464 HD3 PRO 101 1HD PRO 101 8.144 -7.149 -4.148 465 H GLY 102 H GLY 102 3.659 -9.436 -1.952 466 HA2 GLY 102 2HA GLY 102 2.913 -11.803 -1.596 467 HA3 GLY 102 1HA GLY 102 4.612 -12.232 -1.528 468 H VAL 103 H VAL 103 4.513 -9.300 0.028 469 HA VAL 103 HA VAL 103 4.114 -10.583 2.650 470 HB VAL 103 HB VAL 103 6.153 -9.139 2.291 471 HG11 VAL 103 1HG1 VAL 103 5.962 -6.676 2.366 472 HG12 VAL 103 2HG1 VAL 103 4.206 -6.811 2.305 473 HG13 VAL 103 3HG1 VAL 103 5.173 -7.325 0.924 474 HG21 VAL 103 3HG2 VAL 103 6.049 -8.011 4.497 475 HG22 VAL 103 1HG2 VAL 103 5.355 -9.635 4.572 476 HG23 VAL 103 2HG2 VAL 103 4.297 -8.222 4.524 477 H GLU 104 H GLU 104 2.492 -10.091 4.047 478 HA GLU 104 HA GLU 104 0.173 -8.626 3.228 479 HB2 GLU 104 2HB GLU 104 1.014 -9.753 5.929 480 HB3 GLU 104 1HB GLU 104 -0.538 -8.975 5.632 481 HG2 GLU 104 2HG GLU 104 -1.062 -10.747 3.946 482 HG3 GLU 104 1HG GLU 104 0.452 -11.558 4.375 483 H VAL 105 H VAL 105 0.101 -6.483 3.200 484 HA VAL 105 HA VAL 105 1.664 -4.913 5.170 485 HB VAL 105 HB VAL 105 1.432 -2.964 3.603 486 HG11 VAL 105 1HG1 VAL 105 3.178 -3.682 2.021 487 HG12 VAL 105 2HG1 VAL 105 2.864 -5.375 2.410 488 HG13 VAL 105 3HG1 VAL 105 3.509 -4.292 3.647 489 HG21 VAL 105 3HG2 VAL 105 0.808 -3.350 1.239 490 HG22 VAL 105 1HG2 VAL 105 -0.550 -3.683 2.323 491 HG23 VAL 105 2HG2 VAL 105 0.371 -5.018 1.623 492 H ILE 106 H ILE 106 0.743 -3.198 6.199 493 HA ILE 106 HA ILE 106 -2.189 -3.089 6.389 494 HB ILE 106 HB ILE 106 -0.046 -2.068 8.323 495 HG12 ILE 106 2HG1 ILE 106 -1.816 -4.548 8.499 496 HG13 ILE 106 1HG1 ILE 106 -0.065 -4.526 8.295 497 HG21 ILE 106 1HG2 ILE 106 -2.111 -0.734 8.442 498 HG22 ILE 106 2HG2 ILE 106 -1.919 -1.705 9.901 499 HG23 ILE 106 3HG2 ILE 106 -3.070 -2.199 8.657 500 HD11 ILE 106 3HD1 ILE 106 -0.688 -5.100 10.550 501 HD12 ILE 106 1HD1 ILE 106 -1.589 -3.597 10.727 502 HD13 ILE 106 2HD1 ILE 106 0.168 -3.560 10.540 503 H ILE 107 H ILE 107 -2.956 -1.492 5.130 504 HA ILE 107 HA ILE 107 -1.300 0.898 4.555 505 HB ILE 107 HB ILE 107 -2.756 1.326 2.655 506 HG12 ILE 107 2HG1 ILE 107 -4.500 -1.050 3.497 507 HG13 ILE 107 1HG1 ILE 107 -4.942 0.632 3.740 508 HG21 ILE 107 1HG2 ILE 107 -2.112 -1.656 2.772 509 HG22 ILE 107 2HG2 ILE 107 -0.997 -0.369 2.301 510 HG23 ILE 107 3HG2 ILE 107 -2.402 -0.723 1.300 511 HD11 ILE 107 3HD1 ILE 107 -4.540 -0.710 1.074 512 HD12 ILE 107 1HD1 ILE 107 -4.992 0.978 1.320 513 HD13 ILE 107 2HD1 ILE 107 -6.077 -0.311 1.832 514 H GLU 108 H GLU 108 -2.012 2.953 5.132 515 HA GLU 108 HA GLU 108 -4.592 3.261 6.498 516 HB2 GLU 108 2HB GLU 108 -2.825 2.629 8.221 517 HB3 GLU 108 1HB GLU 108 -1.950 4.107 7.810 518 HG2 GLU 108 2HG GLU 108 -3.899 5.437 8.510 519 HG3 GLU 108 1HG GLU 108 -4.779 3.967 8.902 520 H GLY 109 H GLY 109 -5.483 5.217 6.119 521 HA2 GLY 109 2HA GLY 109 -4.491 7.692 5.638 522 HA3 GLY 109 1HA GLY 109 -4.327 6.899 4.075 523 H GLY 110 H GLY 110 -6.135 6.859 2.735 524 HA2 GLY 110 2HA GLY 110 -8.683 6.100 3.538 525 HA3 GLY 110 1HA GLY 110 -8.673 7.862 3.580 526 H LEU 111 H LEU 111 -10.089 5.900 1.816 527 HA LEU 111 HA LEU 111 -9.188 6.823 -0.850 528 HB2 LEU 111 2HB LEU 111 -9.502 4.390 -0.599 529 HB3 LEU 111 1HB LEU 111 -11.144 4.629 -0.033 530 HG LEU 111 HG LEU 111 -11.831 5.426 -2.280 531 HD11 LEU 111 1HD1 LEU 111 -9.722 6.449 -3.016 532 HD12 LEU 111 2HD1 LEU 111 -10.324 5.299 -4.205 533 HD13 LEU 111 3HD1 LEU 111 -8.983 4.851 -3.150 534 HD21 LEU 111 3HD2 LEU 111 -12.024 3.028 -1.809 535 HD22 LEU 111 1HD2 LEU 111 -10.365 2.764 -2.364 536 HD23 LEU 111 2HD2 LEU 111 -11.609 3.289 -3.505 537 H ALA 112 H ALA 112 -10.677 7.820 -2.234 538 HA ALA 112 HA ALA 112 -13.021 9.127 -0.955 539 HB1 ALA 112 3HB ALA 112 -12.599 11.077 -2.387 540 HB2 ALA 112 1HB ALA 112 -11.186 10.279 -3.085 541 HB3 ALA 112 2HB ALA 112 -11.196 10.727 -1.381 542 HA PRO 113 HA PRO 113 -15.783 7.349 -3.999 543 HB2 PRO 113 2HB PRO 113 -16.922 10.125 -4.341 544 HB3 PRO 113 1HB PRO 113 -17.754 8.598 -3.993 545 HG2 PRO 113 2HG PRO 113 -17.364 10.379 -2.057 546 HG3 PRO 113 1HG PRO 113 -17.165 8.646 -1.727 547 HD2 PRO 113 2HD PRO 113 -15.056 10.752 -2.152 548 HD3 PRO 113 1HD PRO 113 -15.079 9.392 -1.006 549 H GLY 114 H GLY 114 -14.467 10.533 -4.965 550 HA2 GLY 114 2HA GLY 114 -14.561 9.833 -7.827 551 HA3 GLY 114 1HA GLY 114 -14.181 11.402 -7.136 552 H GLU 115 H GLU 115 -12.684 8.409 -6.095 553 HA GLU 115 HA GLU 115 -10.072 9.250 -7.201 554 HB2 GLU 115 2HB GLU 115 -10.273 10.032 -4.848 555 HB3 GLU 115 1HB GLU 115 -10.618 8.392 -4.323 556 HG2 GLU 115 2HG GLU 115 -8.337 8.935 -3.805 557 HG3 GLU 115 1HG GLU 115 -8.381 7.683 -5.048 558 H ASP 116 H ASP 116 -9.021 7.630 -8.154 559 HA ASP 116 HA ASP 116 -10.105 4.908 -8.048 560 HB2 ASP 116 2HB ASP 116 -8.830 4.510 -10.089 561 HB3 ASP 116 1HB ASP 116 -9.734 6.009 -10.242 562 H THR 117 H THR 117 -7.659 6.491 -6.382 563 HA THR 117 HA THR 117 -6.409 3.880 -5.743 564 HB THR 117 HB THR 117 -4.848 5.101 -7.249 565 HG1 THR 117 HG1 THR 117 -4.148 4.536 -4.560 566 HG21 THR 117 3HG2 THR 117 -3.656 7.117 -6.476 567 HG22 THR 117 1HG2 THR 117 -4.679 7.187 -5.041 568 HG23 THR 117 2HG2 THR 117 -5.384 7.440 -6.639 569 H PHE 118 H PHE 118 -6.075 3.511 -3.583 570 HA PHE 118 HA PHE 118 -7.238 5.192 -1.597 571 HB2 PHE 118 2HB PHE 118 -7.226 2.703 -1.405 572 HB3 PHE 118 1HB PHE 118 -5.473 2.693 -1.323 573 HD1 PHE 118 HD1 PHE 118 -4.349 3.767 0.745 574 HD2 PHE 118 HD2 PHE 118 -8.548 2.938 0.583 575 HE1 PHE 118 HE1 PHE 118 -4.466 3.858 3.197 576 HE2 PHE 118 HE2 PHE 118 -8.648 3.034 3.040 577 HZ PHE 118 HZ PHE 118 -6.614 3.493 4.348 578 H LYS 119 H LYS 119 -6.263 6.914 -0.771 579 HA LYS 119 HA LYS 119 -3.516 7.625 -1.161 580 HB2 LYS 119 2HB LYS 119 -5.303 9.323 -0.963 581 HB3 LYS 119 1HB LYS 119 -5.686 8.760 0.657 582 HG2 LYS 119 2HG LYS 119 -3.146 9.431 1.142 583 HG3 LYS 119 1HG LYS 119 -3.371 10.435 -0.291 584 HD2 LYS 119 2HD LYS 119 -3.843 11.763 1.691 585 HD3 LYS 119 1HD LYS 119 -5.348 11.510 0.800 586 HE2 LYS 119 2HE LYS 119 -5.989 9.714 2.389 587 HE3 LYS 119 1HE LYS 119 -4.475 9.932 3.268 588 HZ1 LYS 119 3HZ LYS 119 -6.280 11.045 4.365 589 HZ2 LYS 119 1HZ LYS 119 -6.640 11.947 2.981 590 HZ3 LYS 119 2HZ LYS 119 -5.178 12.190 3.796 591 H ALA 120 H ALA 120 -2.187 6.033 -0.192 592 HA ALA 120 HA ALA 120 -2.541 5.319 2.614 593 HB1 ALA 120 3HB ALA 120 -0.386 4.527 0.632 594 HB2 ALA 120 1HB ALA 120 -1.796 3.577 1.092 595 HB3 ALA 120 2HB ALA 120 -0.537 3.908 2.280 596 H ARG 121 H ARG 121 -2.165 7.082 3.817 597 HA ARG 121 HA ARG 121 0.051 8.843 3.754 598 HB2 ARG 121 2HB ARG 121 -1.902 9.361 5.126 599 HB3 ARG 121 1HB ARG 121 -1.726 7.862 6.043 600 HG2 ARG 121 2HG ARG 121 0.330 8.694 7.074 601 HG3 ARG 121 1HG ARG 121 0.283 10.150 6.090 602 HD2 ARG 121 2HD ARG 121 -1.926 10.712 7.189 603 HD3 ARG 121 1HD ARG 121 -1.656 9.344 8.275 604 HE ARG 121 HE ARG 121 0.587 10.650 8.696 605 HH11 ARG 121 1HH1 ARG 121 -2.645 12.010 8.432 606 HH12 ARG 121 2HH1 ARG 121 -2.272 13.385 9.415 607 HH21 ARG 121 1HH2 ARG 121 1.036 12.439 9.979 608 HH22 ARG 121 2HH2 ARG 121 -0.191 13.623 10.289 609 H THR 122 H THR 122 -0.464 5.637 5.108 610 HA THR 122 HA THR 122 2.332 5.457 6.018 611 HB THR 122 HB THR 122 0.069 4.410 7.780 612 HG1 THR 122 HG1 THR 122 1.071 7.070 7.655 613 HG21 THR 122 3HG2 THR 122 1.706 4.758 9.582 614 HG22 THR 122 1HG2 THR 122 2.852 5.456 8.434 615 HG23 THR 122 2HG2 THR 122 2.415 3.747 8.319 616 H LEU 123 H LEU 123 3.183 3.386 5.888 617 HA LEU 123 HA LEU 123 1.494 1.136 5.000 618 HB2 LEU 123 2HB LEU 123 2.589 2.221 3.000 619 HB3 LEU 123 1HB LEU 123 4.155 1.918 3.726 620 HG LEU 123 HG LEU 123 3.604 -0.580 3.617 621 HD11 LEU 123 1HD1 LEU 123 1.851 -1.302 2.063 622 HD12 LEU 123 2HD1 LEU 123 1.325 0.370 1.856 623 HD13 LEU 123 3HD1 LEU 123 1.171 -0.419 3.429 624 HD21 LEU 123 3HD2 LEU 123 3.776 0.933 0.985 625 HD22 LEU 123 1HD2 LEU 123 4.152 -0.779 1.222 626 HD23 LEU 123 2HD2 LEU 123 5.132 0.453 2.013 627 H MET 124 H MET 124 1.890 -0.556 6.262 628 HA MET 124 HA MET 124 4.512 -0.888 7.627 629 HB2 MET 124 2HB MET 124 2.584 -0.296 9.167 630 HB3 MET 124 1HB MET 124 1.731 -1.730 8.618 631 HG2 MET 124 2HG MET 124 3.752 -3.059 9.508 632 HG3 MET 124 1HG MET 124 4.229 -1.566 10.320 633 HE1 MET 124 3HE MET 124 2.377 -0.243 11.987 634 HE2 MET 124 1HE MET 124 0.907 -1.030 12.563 635 HE3 MET 124 2HE MET 124 1.033 -0.520 10.877 636 H THR 125 H THR 125 5.317 -3.045 7.617 637 HA THR 125 HA THR 125 3.766 -5.087 6.109 638 HB THR 125 HB THR 125 5.939 -6.318 5.928 639 HG1 THR 125 HG1 THR 125 7.515 -4.165 6.607 640 HG21 THR 125 3HG2 THR 125 6.098 -3.451 4.914 641 HG22 THR 125 1HG2 THR 125 5.294 -4.793 4.095 642 HG23 THR 125 2HG2 THR 125 7.044 -4.810 4.308 643 H LYS 126 H LYS 126 3.364 -7.086 7.119 644 HA LYS 126 HA LYS 126 3.395 -7.078 10.037 645 HB2 LYS 126 2HB LYS 126 2.296 -9.183 8.119 646 HB3 LYS 126 1HB LYS 126 1.999 -9.094 9.859 647 HG2 LYS 126 2HG LYS 126 0.804 -6.917 9.493 648 HG3 LYS 126 1HG LYS 126 1.059 -7.116 7.747 649 HD2 LYS 126 2HD LYS 126 -0.186 -9.318 7.909 650 HD3 LYS 126 1HD LYS 126 -0.565 -8.926 9.595 651 HE2 LYS 126 2HE LYS 126 -1.783 -6.912 8.836 652 HE3 LYS 126 1HE LYS 126 -1.378 -7.287 7.157 653 HZ1 LYS 126 3HZ LYS 126 -2.589 -9.396 7.435 654 HZ2 LYS 126 1HZ LYS 126 -3.577 -8.039 7.629 655 HZ3 LYS 126 2HZ LYS 126 -3.061 -8.905 8.985 656 H CYS 127 H CYS 127 4.981 -8.717 7.355 657 HA CYS 127 HA CYS 127 6.635 -10.306 9.233 658 HB2 CYS 127 2HB CYS 127 4.973 -11.633 7.829 659 HB3 CYS 127 1HB CYS 127 5.887 -11.148 6.405 660 HG CYS 127 HG CYS 127 6.895 -13.155 8.970 661 HA PRO 128 HA PRO 128 9.889 -7.890 7.217 662 HB2 PRO 128 2HB PRO 128 11.978 -8.657 8.717 663 HB3 PRO 128 1HB PRO 128 10.644 -7.741 9.425 664 HG2 PRO 128 2HG PRO 128 11.190 -10.703 9.556 665 HG3 PRO 128 1HG PRO 128 10.669 -9.602 10.850 666 HD2 PRO 128 2HD PRO 128 8.957 -11.241 9.391 667 HD3 PRO 128 1HD PRO 128 8.448 -9.774 10.254 668 H LEU 129 H LEU 129 12.435 -8.498 6.668 669 HA LEU 129 HA LEU 129 12.260 -10.537 4.564 670 HB2 LEU 129 2HB LEU 129 14.366 -8.417 5.112 671 HB3 LEU 129 1HB LEU 129 14.450 -9.571 3.787 672 HG LEU 129 HG LEU 129 12.330 -7.407 4.125 673 HD11 LEU 129 1HD1 LEU 129 14.658 -7.580 2.178 674 HD12 LEU 129 2HD1 LEU 129 14.503 -6.459 3.535 675 HD13 LEU 129 3HD1 LEU 129 13.396 -6.345 2.173 676 HD21 LEU 129 3HD2 LEU 129 11.374 -9.357 2.998 677 HD22 LEU 129 1HD2 LEU 129 12.719 -9.391 1.852 678 HD23 LEU 129 2HD2 LEU 129 11.584 -8.035 1.854 679 H GLU 130 H GLU 130 12.632 -12.521 5.417 680 HA GLU 130 HA GLU 130 15.316 -13.240 6.088 681 HB2 GLU 130 2HB GLU 130 14.622 -14.398 8.317 682 HB3 GLU 130 1HB GLU 130 14.923 -12.667 8.323 683 HG2 GLU 130 2HG GLU 130 12.417 -12.318 8.159 684 HG3 GLU 130 1HG GLU 130 12.227 -14.055 8.401 Start of MODEL 12 1 H1 MET 43 1H MET 43 -9.791 8.789 28.197 2 H2 MET 43 2H MET 43 -9.901 9.641 29.648 3 H3 MET 43 3H MET 43 -8.528 9.797 28.679 4 HA MET 43 HA MET 43 -9.938 11.725 28.483 5 HB2 MET 43 2HB MET 43 -9.937 9.974 25.979 6 HB3 MET 43 1HB MET 43 -10.192 11.714 25.994 7 HG2 MET 43 2HG MET 43 -7.910 12.060 26.822 8 HG3 MET 43 1HG MET 43 -7.650 10.314 26.862 9 HE1 MET 43 3HE MET 43 -5.427 11.572 23.840 10 HE2 MET 43 1HE MET 43 -5.414 10.622 25.328 11 HE3 MET 43 2HE MET 43 -5.716 12.360 25.390 12 H ALA 44 H ALA 44 -11.952 12.370 28.990 13 HA ALA 44 HA ALA 44 -14.219 10.588 29.005 14 HB1 ALA 44 3HB ALA 44 -13.972 12.363 30.721 15 HB2 ALA 44 1HB ALA 44 -15.486 12.549 29.830 16 HB3 ALA 44 2HB ALA 44 -14.114 13.599 29.469 17 H THR 45 H THR 45 -13.529 13.650 27.288 18 HA THR 45 HA THR 45 -15.534 13.330 25.283 19 HB THR 45 HB THR 45 -13.078 15.140 25.353 20 HG1 THR 45 HG1 THR 45 -15.671 15.320 26.429 21 HG21 THR 45 3HG2 THR 45 -14.266 16.571 23.733 22 HG22 THR 45 1HG2 THR 45 -15.584 15.391 23.643 23 HG23 THR 45 2HG2 THR 45 -13.975 14.970 23.048 24 HA PRO 46 HA PRO 46 -13.142 10.239 22.861 25 HB2 PRO 46 2HB PRO 46 -14.842 10.256 20.651 26 HB3 PRO 46 1HB PRO 46 -15.102 9.280 22.104 27 HG2 PRO 46 2HG PRO 46 -16.280 11.959 21.379 28 HG3 PRO 46 1HG PRO 46 -17.085 10.529 22.070 29 HD2 PRO 46 2HD PRO 46 -16.401 12.608 23.636 30 HD3 PRO 46 1HD PRO 46 -16.217 10.941 24.231 31 H GLN 47 H GLN 47 -11.326 10.834 21.908 32 HA GLN 47 HA GLN 47 -11.114 13.236 20.256 33 HB2 GLN 47 2HB GLN 47 -8.970 11.286 21.198 34 HB3 GLN 47 1HB GLN 47 -8.672 12.786 20.320 35 HG2 GLN 47 2HG GLN 47 -9.828 12.514 23.115 36 HG3 GLN 47 1HG GLN 47 -8.226 13.115 22.684 37 HE21 GLN 47 1HE2 GLN 47 -11.623 13.882 22.869 38 HE22 GLN 47 2HE2 GLN 47 -11.465 15.576 22.567 39 H ASP 48 H ASP 48 -11.833 12.946 18.274 40 HA ASP 48 HA ASP 48 -11.833 10.381 16.919 41 HB2 ASP 48 2HB ASP 48 -12.998 13.113 16.218 42 HB3 ASP 48 1HB ASP 48 -13.211 11.681 15.220 43 H LYS 49 H LYS 49 -9.231 11.751 17.284 44 HA LYS 49 HA LYS 49 -8.284 12.636 14.726 45 HB2 LYS 49 2HB LYS 49 -6.991 11.927 17.356 46 HB3 LYS 49 1HB LYS 49 -5.979 12.103 15.937 47 HG2 LYS 49 2HG LYS 49 -5.996 14.136 17.293 48 HG3 LYS 49 1HG LYS 49 -6.632 14.441 15.681 49 HD2 LYS 49 2HD LYS 49 -8.570 13.889 17.940 50 HD3 LYS 49 1HD LYS 49 -7.784 15.464 17.872 51 HE2 LYS 49 2HE LYS 49 -9.546 14.238 15.716 52 HE3 LYS 49 1HE LYS 49 -9.964 15.583 16.780 53 HZ1 LYS 49 3HZ LYS 49 -8.218 16.887 15.752 54 HZ2 LYS 49 1HZ LYS 49 -9.309 16.341 14.586 55 HZ3 LYS 49 2HZ LYS 49 -7.799 15.597 14.741 56 H LEU 50 H LEU 50 -8.892 9.575 16.136 57 HA LEU 50 HA LEU 50 -7.272 8.026 14.304 58 HB2 LEU 50 2HB LEU 50 -9.417 7.193 16.311 59 HB3 LEU 50 1HB LEU 50 -8.450 6.075 15.367 60 HG LEU 50 HG LEU 50 -6.381 7.167 16.517 61 HD11 LEU 50 1HD1 LEU 50 -7.458 9.130 17.489 62 HD12 LEU 50 2HD1 LEU 50 -6.734 8.132 18.747 63 HD13 LEU 50 3HD1 LEU 50 -8.482 8.102 18.494 64 HD21 LEU 50 3HD2 LEU 50 -7.121 4.868 16.983 65 HD22 LEU 50 1HD2 LEU 50 -8.256 5.470 18.193 66 HD23 LEU 50 2HD2 LEU 50 -6.517 5.653 18.440 67 H HIS 51 H HIS 51 -9.849 9.892 13.656 68 HA HIS 51 HA HIS 51 -11.426 8.197 11.966 69 HB2 HIS 51 2HB HIS 51 -11.123 11.202 12.187 70 HB3 HIS 51 1HB HIS 51 -11.991 10.505 10.823 71 HD1 HIS 51 HD1 HIS 51 -14.001 11.930 11.886 72 HD2 HIS 51 HD2 HIS 51 -12.801 8.601 14.047 73 HE1 HIS 51 HE1 HIS 51 -15.924 11.403 13.404 74 HE2 HIS 51 HE2 HIS 51 -15.117 9.457 14.793 75 H THR 52 H THR 52 -9.722 7.019 11.013 76 HA THR 52 HA THR 52 -8.799 8.148 8.451 77 HB THR 52 HB THR 52 -6.739 6.535 8.773 78 HG1 THR 52 HG1 THR 52 -6.698 7.041 11.459 79 HG21 THR 52 3HG2 THR 52 -6.475 9.005 8.679 80 HG22 THR 52 1HG2 THR 52 -5.340 8.243 9.797 81 HG23 THR 52 2HG2 THR 52 -6.762 9.087 10.420 82 H VAL 53 H VAL 53 -8.433 6.423 6.862 83 HA VAL 53 HA VAL 53 -10.161 4.063 7.277 84 HB VAL 53 HB VAL 53 -9.050 5.182 4.655 85 HG11 VAL 53 1HG1 VAL 53 -10.644 3.623 3.562 86 HG12 VAL 53 2HG1 VAL 53 -11.104 2.987 5.145 87 HG13 VAL 53 3HG1 VAL 53 -9.459 2.758 4.546 88 HG21 VAL 53 3HG2 VAL 53 -11.348 5.965 4.182 89 HG22 VAL 53 1HG2 VAL 53 -10.685 6.745 5.622 90 HG23 VAL 53 2HG2 VAL 53 -11.862 5.438 5.788 91 H ARG 54 H ARG 54 -9.040 2.291 7.811 92 HA ARG 54 HA ARG 54 -6.224 1.991 6.952 93 HB2 ARG 54 2HB ARG 54 -6.367 2.307 9.379 94 HB3 ARG 54 1HB ARG 54 -7.565 1.024 9.515 95 HG2 ARG 54 2HG ARG 54 -5.931 -0.664 8.923 96 HG3 ARG 54 1HG ARG 54 -4.725 0.565 8.534 97 HD2 ARG 54 2HD ARG 54 -4.374 -0.542 10.755 98 HD3 ARG 54 1HD ARG 54 -4.534 1.217 10.847 99 HE ARG 54 HE ARG 54 -6.975 -0.321 11.290 100 HH11 ARG 54 1HH1 ARG 54 -4.262 1.350 12.770 101 HH12 ARG 54 2HH1 ARG 54 -5.040 1.494 14.312 102 HH21 ARG 54 1HH2 ARG 54 -8.000 -0.073 13.299 103 HH22 ARG 54 2HH2 ARG 54 -7.157 0.674 14.614 104 H LEU 55 H LEU 55 -5.979 0.468 5.502 105 HA LEU 55 HA LEU 55 -7.970 -1.691 5.223 106 HB2 LEU 55 2HB LEU 55 -6.072 -0.455 3.190 107 HB3 LEU 55 1HB LEU 55 -6.963 -1.940 2.884 108 HG LEU 55 HG LEU 55 -8.236 0.740 3.479 109 HD11 LEU 55 1HD1 LEU 55 -8.883 0.796 1.097 110 HD12 LEU 55 2HD1 LEU 55 -7.965 -0.686 0.811 111 HD13 LEU 55 3HD1 LEU 55 -7.131 0.795 1.293 112 HD21 LEU 55 3HD2 LEU 55 -9.669 -1.104 4.211 113 HD22 LEU 55 1HD2 LEU 55 -9.532 -1.863 2.624 114 HD23 LEU 55 2HD2 LEU 55 -10.359 -0.314 2.797 115 H PHE 56 H PHE 56 -7.247 -3.730 4.748 116 HA PHE 56 HA PHE 56 -4.535 -4.507 5.622 117 HB2 PHE 56 2HB PHE 56 -7.169 -5.871 6.392 118 HB3 PHE 56 1HB PHE 56 -5.562 -6.483 6.769 119 HD1 PHE 56 HD2 PHE 56 -8.023 -3.794 7.538 120 HD2 PHE 56 HD1 PHE 56 -4.328 -5.628 8.681 121 HE1 PHE 56 HE2 PHE 56 -8.061 -2.561 9.667 122 HE2 PHE 56 HE1 PHE 56 -4.382 -4.387 10.810 123 HZ PHE 56 HZ PHE 56 -6.245 -2.854 11.302 124 H GLY 57 H GLY 57 -3.603 -5.742 4.069 125 HA2 GLY 57 2HA GLY 57 -4.940 -7.537 2.325 126 HA3 GLY 57 1HA GLY 57 -4.685 -5.988 1.520 127 H THR 58 H THR 58 -3.454 -7.727 0.219 128 HA THR 58 HA THR 58 -0.660 -7.964 1.200 129 HB THR 58 HB THR 58 -1.931 -9.894 -0.793 130 HG1 THR 58 HG1 THR 58 -1.931 -9.968 2.051 131 HG21 THR 58 3HG2 THR 58 -0.125 -11.390 -0.053 132 HG22 THR 58 1HG2 THR 58 0.454 -10.165 1.079 133 HG23 THR 58 2HG2 THR 58 0.551 -9.880 -0.666 134 H VAL 59 H VAL 59 0.953 -7.495 -0.300 135 HA VAL 59 HA VAL 59 0.277 -5.603 -2.382 136 HB VAL 59 HB VAL 59 2.984 -6.671 -1.448 137 HG11 VAL 59 1HG1 VAL 59 2.388 -4.253 -3.192 138 HG12 VAL 59 2HG1 VAL 59 3.128 -5.759 -3.739 139 HG13 VAL 59 3HG1 VAL 59 3.979 -4.722 -2.591 140 HG21 VAL 59 3HG2 VAL 59 1.800 -5.503 0.352 141 HG22 VAL 59 1HG2 VAL 59 1.543 -4.100 -0.692 142 HG23 VAL 59 2HG2 VAL 59 3.177 -4.547 -0.194 143 H ALA 60 H ALA 60 -0.119 -6.213 -4.419 144 HA ALA 60 HA ALA 60 0.562 -8.765 -5.540 145 HB1 ALA 60 3HB ALA 60 -1.457 -7.547 -6.258 146 HB2 ALA 60 1HB ALA 60 -0.396 -7.873 -7.629 147 HB3 ALA 60 2HB ALA 60 -0.457 -6.255 -6.923 148 H ALA 61 H ALA 61 2.052 -9.249 -7.107 149 HA ALA 61 HA ALA 61 4.405 -7.581 -7.481 150 HB1 ALA 61 3HB ALA 61 4.608 -10.036 -7.330 151 HB2 ALA 61 1HB ALA 61 5.211 -9.455 -8.885 152 HB3 ALA 61 2HB ALA 61 3.623 -10.220 -8.779 153 H ASP 62 H ASP 62 1.469 -8.416 -9.180 154 HA ASP 62 HA ASP 62 2.209 -7.094 -11.682 155 HB2 ASP 62 2HB ASP 62 -0.342 -8.540 -10.805 156 HB3 ASP 62 1HB ASP 62 -0.116 -7.806 -12.396 157 H GLY 63 H GLY 63 2.247 -4.952 -11.438 158 HA2 GLY 63 2HA GLY 63 1.056 -2.873 -11.514 159 HA3 GLY 63 1HA GLY 63 -0.144 -3.527 -10.412 160 H LEU 64 H LEU 64 3.153 -4.213 -9.648 161 HA LEU 64 HA LEU 64 3.251 -2.167 -7.537 162 HB2 LEU 64 2HB LEU 64 3.860 -4.680 -7.207 163 HB3 LEU 64 1HB LEU 64 5.339 -4.319 -8.082 164 HG LEU 64 HG LEU 64 4.521 -2.946 -5.466 165 HD11 LEU 64 1HD1 LEU 64 6.123 -4.391 -4.318 166 HD12 LEU 64 2HD1 LEU 64 6.458 -5.255 -5.822 167 HD13 LEU 64 3HD1 LEU 64 4.857 -5.348 -5.087 168 HD21 LEU 64 3HD2 LEU 64 7.213 -2.971 -6.897 169 HD22 LEU 64 1HD2 LEU 64 6.898 -2.254 -5.310 170 HD23 LEU 64 2HD2 LEU 64 6.119 -1.594 -6.746 171 H THR 65 H THR 65 4.149 -0.266 -8.080 172 HA THR 65 HA THR 65 6.549 -0.081 -9.743 173 HB THR 65 HB THR 65 4.038 1.567 -10.387 174 HG1 THR 65 HG1 THR 65 5.133 -0.771 -11.530 175 HG21 THR 65 3HG2 THR 65 6.138 2.787 -10.882 176 HG22 THR 65 1HG2 THR 65 5.313 2.328 -12.375 177 HG23 THR 65 2HG2 THR 65 6.720 1.414 -11.825 178 H MET 66 H MET 66 7.858 1.641 -9.079 179 HA MET 66 HA MET 66 7.181 2.878 -6.517 180 HB2 MET 66 2HB MET 66 9.733 3.003 -8.197 181 HB3 MET 66 1HB MET 66 9.548 3.734 -6.599 182 HG2 MET 66 2HG MET 66 9.343 0.765 -7.209 183 HG3 MET 66 1HG MET 66 10.754 1.580 -6.525 184 HE1 MET 66 3HE MET 66 9.233 -0.512 -3.502 185 HE2 MET 66 1HE MET 66 10.664 -0.269 -4.498 186 HE3 MET 66 2HE MET 66 9.211 -0.986 -5.202 187 H LEU 67 H LEU 67 7.067 5.162 -6.195 188 HA LEU 67 HA LEU 67 5.768 6.562 -8.332 189 HB2 LEU 67 2HB LEU 67 6.579 7.543 -5.569 190 HB3 LEU 67 1HB LEU 67 5.563 8.437 -6.694 191 HG LEU 67 HG LEU 67 4.865 5.828 -5.287 192 HD11 LEU 67 1HD1 LEU 67 3.074 7.143 -4.246 193 HD12 LEU 67 2HD1 LEU 67 3.640 8.596 -5.077 194 HD13 LEU 67 3HD1 LEU 67 4.665 7.808 -3.873 195 HD21 LEU 67 3HD2 LEU 67 3.239 7.324 -7.370 196 HD22 LEU 67 1HD2 LEU 67 2.669 5.959 -6.406 197 HD23 LEU 67 2HD2 LEU 67 3.977 5.731 -7.563 198 H ASP 68 H ASP 68 6.292 8.666 -9.101 199 HA ASP 68 HA ASP 68 9.181 9.360 -9.180 200 HB2 ASP 68 2HB ASP 68 8.833 10.307 -11.404 201 HB3 ASP 68 1HB ASP 68 8.232 8.654 -11.410 202 H GLY 69 H GLY 69 9.661 11.642 -9.192 203 HA2 GLY 69 2HA GLY 69 9.443 13.856 -8.628 204 HA3 GLY 69 1HA GLY 69 7.702 13.694 -8.757 205 H ALA 70 H ALA 70 8.691 11.350 -6.658 206 HA ALA 70 HA ALA 70 9.056 12.649 -4.174 207 HB1 ALA 70 3HB ALA 70 6.813 12.337 -3.182 208 HB2 ALA 70 1HB ALA 70 6.184 11.792 -4.738 209 HB3 ALA 70 2HB ALA 70 6.730 13.457 -4.542 210 HA PRO 71 HA PRO 71 9.901 8.284 -3.306 211 HB2 PRO 71 2HB PRO 71 9.853 8.261 -0.565 212 HB3 PRO 71 1HB PRO 71 11.184 8.972 -1.488 213 HG2 PRO 71 2HG PRO 71 8.806 10.345 -0.230 214 HG3 PRO 71 1HG PRO 71 10.525 10.798 -0.153 215 HD2 PRO 71 2HD PRO 71 8.826 12.010 -1.879 216 HD3 PRO 71 1HD PRO 71 10.519 11.693 -2.324 217 H GLY 72 H GLY 72 8.752 6.404 -2.901 218 HA2 GLY 72 2HA GLY 72 6.797 5.597 -1.372 219 HA3 GLY 72 1HA GLY 72 5.860 6.657 -2.422 220 H VAL 73 H VAL 73 4.766 4.561 -2.755 221 HA VAL 73 HA VAL 73 5.650 3.277 -5.179 222 HB VAL 73 HB VAL 73 6.784 1.832 -3.542 223 HG11 VAL 73 1HG1 VAL 73 4.072 1.376 -2.235 224 HG12 VAL 73 2HG1 VAL 73 5.433 2.252 -1.539 225 HG13 VAL 73 3HG1 VAL 73 5.566 0.520 -1.830 226 HG21 VAL 73 3HG2 VAL 73 5.837 -0.353 -4.195 227 HG22 VAL 73 1HG2 VAL 73 5.850 0.761 -5.566 228 HG23 VAL 73 2HG2 VAL 73 4.342 0.433 -4.708 229 H ARG 74 H ARG 74 3.896 3.084 -6.417 230 HA ARG 74 HA ARG 74 1.218 2.840 -5.250 231 HB2 ARG 74 2HB ARG 74 1.595 4.426 -7.168 232 HB3 ARG 74 1HB ARG 74 2.033 3.053 -8.183 233 HG2 ARG 74 2HG ARG 74 -0.249 2.113 -7.856 234 HG3 ARG 74 1HG ARG 74 -0.682 3.526 -6.887 235 HD2 ARG 74 2HD ARG 74 -1.518 3.758 -9.169 236 HD3 ARG 74 1HD ARG 74 -0.281 4.975 -8.854 237 HE ARG 74 HE ARG 74 0.349 2.460 -10.275 238 HH11 ARG 74 1HH1 ARG 74 0.474 5.968 -10.230 239 HH12 ARG 74 2HH1 ARG 74 1.380 6.072 -11.704 240 HH21 ARG 74 1HH2 ARG 74 1.575 2.591 -12.158 241 HH22 ARG 74 2HH2 ARG 74 2.028 4.147 -12.780 242 H PHE 75 H PHE 75 0.283 0.882 -5.096 243 HA PHE 75 HA PHE 75 1.254 -1.401 -6.659 244 HB2 PHE 75 2HB PHE 75 1.595 -2.837 -4.684 245 HB3 PHE 75 1HB PHE 75 2.693 -1.466 -4.648 246 HD1 PHE 75 HD2 PHE 75 2.316 0.385 -3.006 247 HD2 PHE 75 HD1 PHE 75 -0.053 -3.173 -2.923 248 HE1 PHE 75 HE2 PHE 75 1.569 0.925 -0.717 249 HE2 PHE 75 HE1 PHE 75 -0.789 -2.628 -0.643 250 HZ PHE 75 HZ PHE 75 0.018 -0.588 0.465 251 H ARG 76 H ARG 76 -0.173 -3.223 -6.553 252 HA ARG 76 HA ARG 76 -2.964 -2.401 -6.304 253 HB2 ARG 76 2HB ARG 76 -2.034 -3.516 -8.398 254 HB3 ARG 76 1HB ARG 76 -1.814 -4.985 -7.452 255 HG2 ARG 76 2HG ARG 76 -4.319 -4.914 -6.982 256 HG3 ARG 76 1HG ARG 76 -4.418 -3.607 -8.169 257 HD2 ARG 76 2HD ARG 76 -4.983 -5.653 -9.295 258 HD3 ARG 76 1HD ARG 76 -3.382 -5.173 -9.858 259 HE ARG 76 HE ARG 76 -3.282 -6.988 -7.629 260 HH11 ARG 76 1HH1 ARG 76 -3.586 -6.871 -11.124 261 HH12 ARG 76 2HH1 ARG 76 -3.007 -8.491 -11.334 262 HH21 ARG 76 1HH2 ARG 76 -2.548 -9.109 -7.951 263 HH22 ARG 76 2HH2 ARG 76 -2.451 -9.755 -9.558 264 H LEU 77 H LEU 77 -3.495 -2.530 -4.172 265 HA LEU 77 HA LEU 77 -2.685 -4.604 -2.368 266 HB2 LEU 77 2HB LEU 77 -3.354 -2.279 -1.661 267 HB3 LEU 77 1HB LEU 77 -5.006 -2.643 -2.129 268 HG LEU 77 HG LEU 77 -4.728 -4.662 -0.409 269 HD11 LEU 77 1HD1 LEU 77 -2.660 -2.720 0.655 270 HD12 LEU 77 2HD1 LEU 77 -2.347 -4.337 0.016 271 HD13 LEU 77 3HD1 LEU 77 -3.286 -4.142 1.494 272 HD21 LEU 77 3HD2 LEU 77 -6.405 -2.918 -0.140 273 HD22 LEU 77 1HD2 LEU 77 -5.198 -1.809 0.516 274 HD23 LEU 77 2HD2 LEU 77 -5.643 -3.267 1.408 275 H GLU 78 H GLU 78 -3.328 -6.601 -2.871 276 HA GLU 78 HA GLU 78 -5.998 -7.273 -3.782 277 HB2 GLU 78 2HB GLU 78 -3.775 -9.155 -2.858 278 HB3 GLU 78 1HB GLU 78 -5.183 -9.568 -3.844 279 HG2 GLU 78 2HG GLU 78 -4.285 -7.922 -5.580 280 HG3 GLU 78 1HG GLU 78 -2.805 -7.859 -4.632 281 H ASP 79 H ASP 79 -7.535 -6.953 -2.315 282 HA ASP 79 HA ASP 79 -7.180 -6.816 0.483 283 HB2 ASP 79 2HB ASP 79 -8.921 -5.511 -0.614 284 HB3 ASP 79 1HB ASP 79 -9.683 -6.966 -1.245 285 H LYS 80 H LYS 80 -8.034 -8.123 2.145 286 HA LYS 80 HA LYS 80 -7.715 -10.991 1.619 287 HB2 LYS 80 2HB LYS 80 -7.979 -9.548 4.286 288 HB3 LYS 80 1HB LYS 80 -7.443 -11.211 4.040 289 HG2 LYS 80 2HG LYS 80 -5.989 -8.694 3.164 290 HG3 LYS 80 1HG LYS 80 -5.560 -9.728 4.530 291 HD2 LYS 80 2HD LYS 80 -5.559 -10.614 1.607 292 HD3 LYS 80 1HD LYS 80 -4.130 -10.073 2.494 293 HE2 LYS 80 2HE LYS 80 -5.812 -12.532 3.114 294 HE3 LYS 80 1HE LYS 80 -4.190 -12.511 2.411 295 HZ1 LYS 80 3HZ LYS 80 -3.441 -11.394 4.474 296 HZ2 LYS 80 1HZ LYS 80 -3.996 -12.971 4.717 297 HZ3 LYS 80 2HZ LYS 80 -4.971 -11.656 5.143 298 H ASP 81 H ASP 81 -10.207 -8.709 2.558 299 HA ASP 81 HA ASP 81 -12.131 -10.670 3.414 300 HB2 ASP 81 2HB ASP 81 -12.175 -8.339 4.237 301 HB3 ASP 81 1HB ASP 81 -12.473 -7.752 2.604 302 H ASN 82 H ASN 82 -11.323 -9.038 0.420 303 HA ASN 82 HA ASN 82 -12.866 -10.986 -1.157 304 HB2 ASN 82 2HB ASN 82 -13.063 -7.948 -1.487 305 HB3 ASN 82 1HB ASN 82 -13.514 -9.078 -2.761 306 HD21 ASN 82 1HD2 ASN 82 -14.368 -7.818 0.382 307 HD22 ASN 82 2HD2 ASN 82 -15.973 -8.451 0.423 308 H THR 83 H THR 83 -11.156 -11.989 -2.134 309 HA THR 83 HA THR 83 -8.756 -10.676 -2.993 310 HB THR 83 HB THR 83 -8.784 -13.107 -2.419 311 HG1 THR 83 HG1 THR 83 -7.928 -12.481 -5.074 312 HG21 THR 83 3HG2 THR 83 -10.292 -13.491 -5.034 313 HG22 THR 83 1HG2 THR 83 -10.941 -13.780 -3.422 314 HG23 THR 83 2HG2 THR 83 -9.625 -14.784 -4.037 315 H SER 84 H SER 84 -11.875 -11.234 -4.408 316 HA SER 84 HA SER 84 -11.272 -10.655 -7.145 317 HB2 SER 84 2HB SER 84 -13.348 -11.822 -6.485 318 HB3 SER 84 1HB SER 84 -13.895 -10.400 -5.599 319 HG SER 84 HG SER 84 -14.652 -9.654 -7.391 320 H LYS 85 H LYS 85 -11.489 -8.658 -4.355 321 HA LYS 85 HA LYS 85 -11.671 -6.170 -5.946 322 HB2 LYS 85 2HB LYS 85 -11.988 -6.677 -2.963 323 HB3 LYS 85 1HB LYS 85 -11.811 -5.056 -3.632 324 HG2 LYS 85 2HG LYS 85 -13.859 -5.356 -4.953 325 HG3 LYS 85 1HG LYS 85 -14.044 -6.998 -4.320 326 HD2 LYS 85 2HD LYS 85 -14.384 -6.137 -2.063 327 HD3 LYS 85 1HD LYS 85 -14.018 -4.489 -2.591 328 HE2 LYS 85 2HE LYS 85 -16.442 -4.826 -2.317 329 HE3 LYS 85 1HE LYS 85 -16.039 -4.482 -3.997 330 HZ1 LYS 85 3HZ LYS 85 -17.642 -6.255 -3.819 331 HZ2 LYS 85 1HZ LYS 85 -16.591 -7.168 -2.862 332 HZ3 LYS 85 2HZ LYS 85 -16.200 -6.839 -4.474 333 H THR 86 H THR 86 -9.634 -6.199 -6.843 334 HA THR 86 HA THR 86 -7.328 -5.869 -5.022 335 HB THR 86 HB THR 86 -5.936 -6.173 -7.089 336 HG1 THR 86 HG1 THR 86 -7.020 -6.979 -8.982 337 HG21 THR 86 3HG2 THR 86 -7.893 -8.454 -6.621 338 HG22 THR 86 1HG2 THR 86 -6.440 -8.146 -5.667 339 HG23 THR 86 2HG2 THR 86 -6.300 -8.592 -7.369 340 H VAL 87 H VAL 87 -7.237 -3.807 -4.434 341 HA VAL 87 HA VAL 87 -8.163 -1.631 -6.199 342 HB VAL 87 HB VAL 87 -7.603 -1.622 -3.186 343 HG11 VAL 87 1HG1 VAL 87 -9.013 0.480 -4.868 344 HG12 VAL 87 2HG1 VAL 87 -7.438 0.646 -4.091 345 HG13 VAL 87 3HG1 VAL 87 -8.893 0.498 -3.106 346 HG21 VAL 87 3HG2 VAL 87 -10.285 -1.864 -4.591 347 HG22 VAL 87 1HG2 VAL 87 -10.041 -1.727 -2.848 348 HG23 VAL 87 2HG2 VAL 87 -9.452 -3.151 -3.713 349 H TRP 88 H TRP 88 -6.796 0.251 -6.522 350 HA TRP 88 HA TRP 88 -3.930 -0.259 -6.350 351 HB2 TRP 88 2HB TRP 88 -5.494 2.091 -7.539 352 HB3 TRP 88 1HB TRP 88 -3.741 1.900 -7.629 353 HD1 TRP 88 HD1 TRP 88 -6.978 0.573 -9.186 354 HE1 TRP 88 HE1 TRP 88 -6.385 -0.892 -11.212 355 HE3 TRP 88 HE3 TRP 88 -1.898 0.352 -8.594 356 HZ2 TRP 88 HZ2 TRP 88 -4.095 -2.034 -12.389 357 HZ3 TRP 88 HZ3 TRP 88 -0.577 -0.947 -10.210 358 HH2 TRP 88 HH2 TRP 88 -1.655 -2.115 -12.079 359 H VAL 89 H VAL 89 -2.509 1.022 -5.112 360 HA VAL 89 HA VAL 89 -3.709 2.818 -3.093 361 HB VAL 89 HB VAL 89 -1.633 0.639 -2.551 362 HG11 VAL 89 1HG1 VAL 89 -1.647 1.421 -0.191 363 HG12 VAL 89 2HG1 VAL 89 -2.698 2.767 -0.642 364 HG13 VAL 89 3HG1 VAL 89 -1.057 2.680 -1.282 365 HG21 VAL 89 3HG2 VAL 89 -3.328 -0.296 -1.027 366 HG22 VAL 89 1HG2 VAL 89 -3.968 -0.189 -2.669 367 HG23 VAL 89 2HG2 VAL 89 -4.451 0.998 -1.452 368 H LEU 90 H LEU 90 -2.859 4.698 -3.247 369 HA LEU 90 HA LEU 90 -0.219 5.202 -4.397 370 HB2 LEU 90 2HB LEU 90 -2.324 6.494 -5.062 371 HB3 LEU 90 1HB LEU 90 -2.354 7.169 -3.446 372 HG LEU 90 HG LEU 90 -0.177 8.287 -3.849 373 HD11 LEU 90 1HD1 LEU 90 0.828 6.703 -5.409 374 HD12 LEU 90 2HD1 LEU 90 0.793 8.307 -6.127 375 HD13 LEU 90 3HD1 LEU 90 -0.377 7.087 -6.642 376 HD21 LEU 90 3HD2 LEU 90 -2.264 9.510 -4.343 377 HD22 LEU 90 1HD2 LEU 90 -2.258 8.873 -5.991 378 HD23 LEU 90 2HD2 LEU 90 -0.982 9.973 -5.462 379 H TYR 91 H TYR 91 1.073 4.401 -2.706 380 HA TYR 91 HA TYR 91 0.958 5.715 -0.069 381 HB2 TYR 91 2HB TYR 91 1.377 3.314 0.071 382 HB3 TYR 91 1HB TYR 91 2.679 3.412 -1.111 383 HD1 TYR 91 HD1 TYR 91 1.771 4.978 2.187 384 HD2 TYR 91 HD2 TYR 91 4.889 3.322 -0.215 385 HE1 TYR 91 HE1 TYR 91 3.376 5.378 3.996 386 HE2 TYR 91 HE2 TYR 91 6.495 3.715 1.605 387 HH TYR 91 HH TYR 91 6.730 5.180 3.550 388 H LYS 92 H LYS 92 1.926 7.670 -0.002 389 HA LYS 92 HA LYS 92 4.481 8.124 -1.437 390 HB2 LYS 92 2HB LYS 92 2.616 10.154 -0.116 391 HB3 LYS 92 1HB LYS 92 4.091 10.535 -1.010 392 HG2 LYS 92 2HG LYS 92 3.088 9.655 -3.066 393 HG3 LYS 92 1HG LYS 92 1.620 9.210 -2.189 394 HD2 LYS 92 2HD LYS 92 1.219 11.595 -1.674 395 HD3 LYS 92 1HD LYS 92 2.689 12.038 -2.548 396 HE2 LYS 92 2HE LYS 92 0.286 10.653 -3.780 397 HE3 LYS 92 1HE LYS 92 0.619 12.384 -3.879 398 HZ1 LYS 92 3HZ LYS 92 1.347 11.199 -5.861 399 HZ2 LYS 92 1HZ LYS 92 2.377 10.236 -4.932 400 HZ3 LYS 92 2HZ LYS 92 2.659 11.895 -5.053 401 H GLY 93 H GLY 93 6.270 7.939 -0.260 402 HA2 GLY 93 2HA GLY 93 7.218 9.090 1.909 403 HA3 GLY 93 1HA GLY 93 6.175 7.897 2.684 404 H ALA 94 H ALA 94 8.167 7.106 3.654 405 HA ALA 94 HA ALA 94 10.305 6.058 2.067 406 HB1 ALA 94 3HB ALA 94 11.219 5.355 4.249 407 HB2 ALA 94 1HB ALA 94 9.683 5.745 5.031 408 HB3 ALA 94 2HB ALA 94 10.658 7.026 4.310 409 H VAL 95 H VAL 95 10.017 4.248 0.904 410 HA VAL 95 HA VAL 95 8.212 2.101 1.637 411 HB VAL 95 HB VAL 95 10.257 2.243 -0.632 412 HG11 VAL 95 1HG1 VAL 95 9.646 -0.102 -0.133 413 HG12 VAL 95 2HG1 VAL 95 8.957 0.405 -1.678 414 HG13 VAL 95 3HG1 VAL 95 7.931 0.311 -0.248 415 HG21 VAL 95 3HG2 VAL 95 7.280 2.844 -0.652 416 HG22 VAL 95 1HG2 VAL 95 8.335 2.830 -2.069 417 HG23 VAL 95 2HG2 VAL 95 8.581 4.030 -0.797 418 HA PRO 96 HA PRO 96 11.505 0.314 4.186 419 HB2 PRO 96 2HB PRO 96 10.130 -1.787 5.236 420 HB3 PRO 96 1HB PRO 96 9.845 -0.120 5.751 421 HG2 PRO 96 2HG PRO 96 8.271 -1.803 3.805 422 HG3 PRO 96 1HG PRO 96 7.680 -0.739 5.102 423 HD2 PRO 96 2HD PRO 96 7.770 0.033 2.467 424 HD3 PRO 96 1HD PRO 96 7.930 1.183 3.815 425 H ASP 97 H ASP 97 12.782 -1.602 4.288 426 HA ASP 97 HA ASP 97 13.276 -2.922 1.795 427 HB2 ASP 97 2HB ASP 97 14.417 -3.597 4.554 428 HB3 ASP 97 1HB ASP 97 15.096 -4.070 2.994 429 H THR 98 H THR 98 11.465 -3.659 4.636 430 HA THR 98 HA THR 98 11.061 -6.460 4.268 431 HB THR 98 HB THR 98 9.098 -6.019 5.857 432 HG1 THR 98 HG1 THR 98 8.510 -3.978 5.722 433 HG21 THR 98 3HG2 THR 98 11.826 -4.973 6.717 434 HG22 THR 98 1HG2 THR 98 11.302 -6.658 6.761 435 HG23 THR 98 2HG2 THR 98 10.523 -5.466 7.802 436 H PHE 99 H PHE 99 9.666 -3.612 2.838 437 HA PHE 99 HA PHE 99 7.282 -4.802 1.763 438 HB2 PHE 99 2HB PHE 99 7.581 -2.325 2.029 439 HB3 PHE 99 1HB PHE 99 8.818 -2.348 0.784 440 HD1 PHE 99 HD2 PHE 99 8.180 -2.722 -1.608 441 HD2 PHE 99 HD1 PHE 99 5.220 -2.434 1.466 442 HE1 PHE 99 HE2 PHE 99 6.442 -2.352 -3.308 443 HE2 PHE 99 HE1 PHE 99 3.495 -2.059 -0.244 444 HZ PHE 99 HZ PHE 99 4.101 -2.020 -2.627 445 H LYS 100 H LYS 100 7.204 -6.212 0.179 446 HA LYS 100 HA LYS 100 9.144 -6.346 -2.002 447 HB2 LYS 100 2HB LYS 100 9.560 -8.760 -1.646 448 HB3 LYS 100 1HB LYS 100 10.069 -7.849 -0.227 449 HG2 LYS 100 2HG LYS 100 8.020 -8.502 0.959 450 HG3 LYS 100 1HG LYS 100 7.446 -9.363 -0.471 451 HD2 LYS 100 2HD LYS 100 9.386 -10.912 -0.279 452 HD3 LYS 100 1HD LYS 100 9.894 -10.072 1.192 453 HE2 LYS 100 2HE LYS 100 7.799 -10.728 2.309 454 HE3 LYS 100 1HE LYS 100 7.224 -11.495 0.826 455 HZ1 LYS 100 3HZ LYS 100 8.109 -13.108 2.357 456 HZ2 LYS 100 1HZ LYS 100 9.600 -12.311 2.392 457 HZ3 LYS 100 2HZ LYS 100 9.070 -13.039 0.968 458 HA PRO 101 HA PRO 101 5.413 -7.545 -4.342 459 HB2 PRO 101 2HB PRO 101 7.054 -9.599 -5.794 460 HB3 PRO 101 1HB PRO 101 6.130 -8.236 -6.439 461 HG2 PRO 101 2HG PRO 101 8.809 -8.162 -6.368 462 HG3 PRO 101 1HG PRO 101 7.841 -6.703 -6.050 463 HD2 PRO 101 2HD PRO 101 9.224 -8.534 -4.081 464 HD3 PRO 101 1HD PRO 101 9.136 -6.757 -4.102 465 H GLY 102 H GLY 102 4.157 -8.525 -2.740 466 HA2 GLY 102 2HA GLY 102 2.906 -10.643 -2.502 467 HA3 GLY 102 1HA GLY 102 4.448 -11.472 -2.368 468 H VAL 103 H VAL 103 4.737 -8.579 -0.666 469 HA VAL 103 HA VAL 103 4.645 -9.937 1.877 470 HB VAL 103 HB VAL 103 6.316 -8.112 1.345 471 HG11 VAL 103 1HG1 VAL 103 5.698 -5.737 1.630 472 HG12 VAL 103 2HG1 VAL 103 4.000 -6.197 1.745 473 HG13 VAL 103 3HG1 VAL 103 4.881 -6.464 0.242 474 HG21 VAL 103 3HG2 VAL 103 4.692 -7.672 3.880 475 HG22 VAL 103 1HG2 VAL 103 6.351 -7.120 3.613 476 HG23 VAL 103 2HG2 VAL 103 5.992 -8.848 3.662 477 H GLU 104 H GLU 104 3.185 -9.778 3.511 478 HA GLU 104 HA GLU 104 0.530 -8.723 3.110 479 HB2 GLU 104 2HB GLU 104 1.225 -10.790 4.513 480 HB3 GLU 104 1HB GLU 104 1.827 -9.665 5.718 481 HG2 GLU 104 2HG GLU 104 -0.300 -10.346 6.462 482 HG3 GLU 104 1HG GLU 104 -0.515 -8.704 5.847 483 H VAL 105 H VAL 105 -0.252 -6.717 3.922 484 HA VAL 105 HA VAL 105 1.537 -5.012 5.542 485 HB VAL 105 HB VAL 105 1.070 -3.002 4.088 486 HG11 VAL 105 1HG1 VAL 105 2.636 -5.223 2.727 487 HG12 VAL 105 2HG1 VAL 105 3.246 -4.117 3.960 488 HG13 VAL 105 3HG1 VAL 105 2.775 -3.497 2.376 489 HG21 VAL 105 3HG2 VAL 105 0.338 -3.336 1.734 490 HG22 VAL 105 1HG2 VAL 105 -0.919 -3.827 2.873 491 HG23 VAL 105 2HG2 VAL 105 0.062 -5.048 2.061 492 H ILE 106 H ILE 106 0.565 -3.156 6.414 493 HA ILE 106 HA ILE 106 -2.371 -3.020 6.678 494 HB ILE 106 HB ILE 106 -0.302 -2.394 8.857 495 HG12 ILE 106 2HG1 ILE 106 -2.266 -4.729 8.758 496 HG13 ILE 106 1HG1 ILE 106 -0.518 -4.851 8.553 497 HG21 ILE 106 1HG2 ILE 106 -2.271 -0.920 8.965 498 HG22 ILE 106 2HG2 ILE 106 -2.235 -2.017 10.343 499 HG23 ILE 106 3HG2 ILE 106 -3.344 -2.329 9.008 500 HD11 ILE 106 3HD1 ILE 106 -1.176 -5.547 10.763 501 HD12 ILE 106 1HD1 ILE 106 -1.977 -4.007 11.062 502 HD13 ILE 106 2HD1 ILE 106 -0.222 -4.071 10.875 503 H ILE 107 H ILE 107 -2.810 -1.226 5.501 504 HA ILE 107 HA ILE 107 -0.962 1.106 5.564 505 HB ILE 107 HB ILE 107 -2.027 1.723 3.353 506 HG12 ILE 107 2HG1 ILE 107 -3.252 -1.075 3.541 507 HG13 ILE 107 1HG1 ILE 107 -4.145 0.442 3.567 508 HG21 ILE 107 1HG2 ILE 107 -0.741 0.105 1.990 509 HG22 ILE 107 2HG2 ILE 107 -0.604 -0.969 3.384 510 HG23 ILE 107 3HG2 ILE 107 0.176 0.615 3.408 511 HD11 ILE 107 3HD1 ILE 107 -4.350 -0.592 1.431 512 HD12 ILE 107 1HD1 ILE 107 -2.601 -0.709 1.257 513 HD13 ILE 107 2HD1 ILE 107 -3.387 0.874 1.260 514 H GLU 108 H GLU 108 -1.880 3.176 5.845 515 HA GLU 108 HA GLU 108 -4.733 3.366 6.532 516 HB2 GLU 108 2HB GLU 108 -3.362 2.885 8.631 517 HB3 GLU 108 1HB GLU 108 -2.547 4.430 8.385 518 HG2 GLU 108 2HG GLU 108 -4.704 5.596 8.589 519 HG3 GLU 108 1HG GLU 108 -5.523 4.051 8.815 520 H GLY 109 H GLY 109 -5.580 5.379 6.169 521 HA2 GLY 109 2HA GLY 109 -4.400 7.822 5.780 522 HA3 GLY 109 1HA GLY 109 -4.292 7.018 4.218 523 H GLY 110 H GLY 110 -5.933 7.659 2.889 524 HA2 GLY 110 2HA GLY 110 -8.694 7.363 3.764 525 HA3 GLY 110 1HA GLY 110 -8.208 9.012 3.379 526 H LEU 111 H LEU 111 -10.024 6.877 2.118 527 HA LEU 111 HA LEU 111 -9.052 7.076 -0.671 528 HB2 LEU 111 2HB LEU 111 -9.580 4.787 0.046 529 HB3 LEU 111 1HB LEU 111 -11.175 5.285 0.579 530 HG LEU 111 HG LEU 111 -11.843 5.708 -1.772 531 HD11 LEU 111 1HD1 LEU 111 -9.698 6.373 -2.725 532 HD12 LEU 111 2HD1 LEU 111 -10.418 5.067 -3.663 533 HD13 LEU 111 3HD1 LEU 111 -9.085 4.724 -2.555 534 HD21 LEU 111 3HD2 LEU 111 -10.674 2.923 -1.389 535 HD22 LEU 111 1HD2 LEU 111 -11.915 3.376 -2.565 536 HD23 LEU 111 2HD2 LEU 111 -12.260 3.474 -0.839 537 H ALA 112 H ALA 112 -10.066 8.400 -2.029 538 HA ALA 112 HA ALA 112 -12.331 10.023 -1.185 539 HB1 ALA 112 3HB ALA 112 -11.955 11.240 -3.300 540 HB2 ALA 112 1HB ALA 112 -10.729 10.062 -3.776 541 HB3 ALA 112 2HB ALA 112 -10.461 11.104 -2.377 542 HA PRO 113 HA PRO 113 -15.394 7.168 -2.893 543 HB2 PRO 113 2HB PRO 113 -17.049 9.634 -3.413 544 HB3 PRO 113 1HB PRO 113 -17.467 8.165 -2.518 545 HG2 PRO 113 2HG PRO 113 -16.902 10.403 -1.207 546 HG3 PRO 113 1HG PRO 113 -16.306 8.841 -0.603 547 HD2 PRO 113 2HD PRO 113 -14.812 10.983 -2.119 548 HD3 PRO 113 1HD PRO 113 -14.286 10.022 -0.717 549 H GLY 114 H GLY 114 -14.543 10.066 -4.722 550 HA2 GLY 114 2HA GLY 114 -15.569 9.041 -7.265 551 HA3 GLY 114 1HA GLY 114 -14.821 10.604 -6.979 552 H GLU 115 H GLU 115 -12.771 8.454 -5.551 553 HA GLU 115 HA GLU 115 -11.085 8.209 -7.979 554 HB2 GLU 115 2HB GLU 115 -10.340 8.727 -5.084 555 HB3 GLU 115 1HB GLU 115 -9.166 8.089 -6.233 556 HG2 GLU 115 2HG GLU 115 -9.623 10.061 -7.713 557 HG3 GLU 115 1HG GLU 115 -10.622 10.735 -6.419 558 H ASP 116 H ASP 116 -9.543 6.537 -8.032 559 HA ASP 116 HA ASP 116 -10.645 3.926 -7.344 560 HB2 ASP 116 2HB ASP 116 -8.157 4.544 -8.988 561 HB3 ASP 116 1HB ASP 116 -9.117 3.069 -9.021 562 H THR 117 H THR 117 -7.744 5.895 -6.758 563 HA THR 117 HA THR 117 -6.358 3.642 -5.511 564 HB THR 117 HB THR 117 -5.148 4.986 -7.213 565 HG1 THR 117 HG1 THR 117 -3.307 4.735 -6.149 566 HG21 THR 117 3HG2 THR 117 -5.126 7.231 -5.162 567 HG22 THR 117 1HG2 THR 117 -6.040 7.243 -6.673 568 HG23 THR 117 2HG2 THR 117 -4.277 7.213 -6.711 569 H PHE 118 H PHE 118 -6.154 3.375 -3.401 570 HA PHE 118 HA PHE 118 -7.146 5.228 -1.426 571 HB2 PHE 118 2HB PHE 118 -7.433 2.842 -1.014 572 HB3 PHE 118 1HB PHE 118 -5.709 2.544 -1.225 573 HD1 PHE 118 HD2 PHE 118 -8.176 4.267 0.995 574 HD2 PHE 118 HD1 PHE 118 -4.233 2.657 0.658 575 HE1 PHE 118 HE2 PHE 118 -7.843 4.557 3.405 576 HE2 PHE 118 HE1 PHE 118 -3.916 2.967 3.076 577 HZ PHE 118 HZ PHE 118 -5.723 3.905 4.443 578 H LYS 119 H LYS 119 -5.936 6.811 -0.453 579 HA LYS 119 HA LYS 119 -3.072 7.006 -1.082 580 HB2 LYS 119 2HB LYS 119 -4.974 9.004 0.202 581 HB3 LYS 119 1HB LYS 119 -3.260 9.307 -0.098 582 HG2 LYS 119 2HG LYS 119 -3.704 8.945 -2.553 583 HG3 LYS 119 1HG LYS 119 -5.429 8.824 -2.165 584 HD2 LYS 119 2HD LYS 119 -5.301 11.135 -1.177 585 HD3 LYS 119 1HD LYS 119 -3.624 11.239 -1.724 586 HE2 LYS 119 2HE LYS 119 -5.061 12.384 -3.311 587 HE3 LYS 119 1HE LYS 119 -4.426 10.925 -4.074 588 HZ1 LYS 119 3HZ LYS 119 -6.512 9.819 -3.600 589 HZ2 LYS 119 1HZ LYS 119 -6.765 11.217 -4.512 590 HZ3 LYS 119 2HZ LYS 119 -7.116 11.210 -2.858 591 H ALA 120 H ALA 120 -1.969 5.679 0.241 592 HA ALA 120 HA ALA 120 -2.569 5.402 3.074 593 HB1 ALA 120 3HB ALA 120 -0.334 4.182 1.397 594 HB2 ALA 120 1HB ALA 120 -1.880 3.416 1.778 595 HB3 ALA 120 2HB ALA 120 -0.724 3.757 3.068 596 H ARG 121 H ARG 121 -2.023 7.204 4.242 597 HA ARG 121 HA ARG 121 0.337 8.775 3.829 598 HB2 ARG 121 2HB ARG 121 -0.245 9.874 5.981 599 HB3 ARG 121 1HB ARG 121 -1.643 9.756 4.920 600 HG2 ARG 121 2HG ARG 121 -2.363 7.716 6.239 601 HG3 ARG 121 1HG ARG 121 -1.060 8.066 7.373 602 HD2 ARG 121 2HD ARG 121 -3.351 9.952 6.717 603 HD3 ARG 121 1HD ARG 121 -3.293 8.890 8.123 604 HE ARG 121 HE ARG 121 -0.991 10.392 8.262 605 HH11 ARG 121 1HH1 ARG 121 -4.425 11.137 8.208 606 HH12 ARG 121 2HH1 ARG 121 -4.252 12.547 9.199 607 HH21 ARG 121 1HH2 ARG 121 -0.788 12.223 9.582 608 HH22 ARG 121 2HH2 ARG 121 -2.193 13.160 9.974 609 H THR 122 H THR 122 -0.346 5.817 5.490 610 HA THR 122 HA THR 122 2.452 5.558 6.370 611 HB THR 122 HB THR 122 1.635 4.327 8.435 612 HG1 THR 122 HG1 THR 122 -0.828 5.635 8.277 613 HG21 THR 122 3HG2 THR 122 1.109 6.324 9.790 614 HG22 THR 122 1HG2 THR 122 0.818 7.255 8.320 615 HG23 THR 122 2HG2 THR 122 2.441 6.651 8.675 616 H LEU 123 H LEU 123 3.194 3.408 6.381 617 HA LEU 123 HA LEU 123 1.416 1.239 5.482 618 HB2 LEU 123 2HB LEU 123 2.547 2.189 3.475 619 HB3 LEU 123 1HB LEU 123 4.110 1.913 4.212 620 HG LEU 123 HG LEU 123 2.323 -0.493 3.783 621 HD11 LEU 123 1HD1 LEU 123 2.117 0.730 1.662 622 HD12 LEU 123 2HD1 LEU 123 3.018 -0.771 1.471 623 HD13 LEU 123 3HD1 LEU 123 3.878 0.774 1.506 624 HD21 LEU 123 3HD2 LEU 123 4.518 -0.799 4.895 625 HD22 LEU 123 1HD2 LEU 123 5.334 -0.136 3.470 626 HD23 LEU 123 2HD2 LEU 123 4.437 -1.653 3.358 627 H MET 124 H MET 124 1.872 -0.658 6.484 628 HA MET 124 HA MET 124 4.251 -0.923 8.226 629 HB2 MET 124 2HB MET 124 2.296 -0.065 9.569 630 HB3 MET 124 1HB MET 124 1.348 -1.449 9.049 631 HG2 MET 124 2HG MET 124 3.155 -2.898 10.173 632 HG3 MET 124 1HG MET 124 3.712 -1.402 10.930 633 HE1 MET 124 3HE MET 124 1.696 0.236 12.189 634 HE2 MET 124 1HE MET 124 0.150 -0.446 12.704 635 HE3 MET 124 2HE MET 124 0.463 -0.172 10.992 636 H THR 125 H THR 125 5.197 -2.653 7.186 637 HA THR 125 HA THR 125 3.735 -4.762 5.905 638 HB THR 125 HB THR 125 6.020 -5.886 5.801 639 HG1 THR 125 HG1 THR 125 6.784 -4.832 7.779 640 HG21 THR 125 3HG2 THR 125 7.034 -4.263 4.234 641 HG22 THR 125 1HG2 THR 125 5.958 -2.993 4.828 642 HG23 THR 125 2HG2 THR 125 5.293 -4.385 3.969 643 H LYS 126 H LYS 126 2.875 -6.514 6.827 644 HA LYS 126 HA LYS 126 2.846 -6.825 9.693 645 HB2 LYS 126 2HB LYS 126 0.814 -7.056 8.179 646 HB3 LYS 126 1HB LYS 126 1.523 -8.519 7.522 647 HG2 LYS 126 2HG LYS 126 -0.163 -9.098 9.149 648 HG3 LYS 126 1HG LYS 126 1.430 -9.570 9.763 649 HD2 LYS 126 2HD LYS 126 1.496 -7.590 11.209 650 HD3 LYS 126 1HD LYS 126 -0.024 -7.007 10.529 651 HE2 LYS 126 2HE LYS 126 -1.198 -8.961 11.487 652 HE3 LYS 126 1HE LYS 126 0.327 -9.539 12.168 653 HZ1 LYS 126 3HZ LYS 126 -0.961 -8.365 13.818 654 HZ2 LYS 126 1HZ LYS 126 -1.033 -6.984 12.846 655 HZ3 LYS 126 2HZ LYS 126 0.446 -7.496 13.483 656 H CYS 127 H CYS 127 4.228 -8.406 6.873 657 HA CYS 127 HA CYS 127 5.418 -10.615 8.344 658 HB2 CYS 127 2HB CYS 127 4.686 -11.014 6.045 659 HB3 CYS 127 1HB CYS 127 5.681 -9.689 5.453 660 HG CYS 127 HG CYS 127 7.644 -11.758 7.032 661 HA PRO 128 HA PRO 128 9.019 -7.856 9.068 662 HB2 PRO 128 2HB PRO 128 10.046 -9.113 11.242 663 HB3 PRO 128 1HB PRO 128 8.601 -8.100 11.351 664 HG2 PRO 128 2HG PRO 128 8.816 -11.093 11.281 665 HG3 PRO 128 1HG PRO 128 7.708 -10.065 12.214 666 HD2 PRO 128 2HD PRO 128 7.070 -11.369 9.806 667 HD3 PRO 128 1HD PRO 128 6.175 -10.006 10.500 668 H LEU 129 H LEU 129 10.263 -8.247 7.277 669 HA LEU 129 HA LEU 129 11.759 -10.720 6.922 670 HB2 LEU 129 2HB LEU 129 11.712 -8.125 5.336 671 HB3 LEU 129 1HB LEU 129 12.829 -9.424 4.975 672 HG LEU 129 HG LEU 129 11.017 -9.544 3.413 673 HD11 LEU 129 1HD1 LEU 129 10.649 -11.769 5.437 674 HD12 LEU 129 2HD1 LEU 129 11.892 -11.692 4.186 675 HD13 LEU 129 3HD1 LEU 129 10.195 -11.810 3.728 676 HD21 LEU 129 3HD2 LEU 129 9.309 -8.297 4.652 677 HD22 LEU 129 1HD2 LEU 129 9.063 -9.675 5.728 678 HD23 LEU 129 2HD2 LEU 129 8.671 -9.807 4.011 679 H GLU 130 H GLU 130 13.980 -10.934 7.133 680 HA GLU 130 HA GLU 130 15.243 -9.170 9.098 681 HB2 GLU 130 2HB GLU 130 15.165 -11.873 8.998 682 HB3 GLU 130 1HB GLU 130 16.592 -11.650 8.005 683 HG2 GLU 130 2HG GLU 130 16.242 -10.673 10.853 684 HG3 GLU 130 1HG GLU 130 17.112 -12.122 10.376 Start of MODEL 13 1 H1 MET 43 1H MET 43 0.885 7.073 19.961 2 H2 MET 43 2H MET 43 -0.352 6.984 21.101 3 H3 MET 43 3H MET 43 -0.697 7.460 19.520 4 HA MET 43 HA MET 43 -0.128 5.316 18.674 5 HB2 MET 43 2HB MET 43 0.434 3.448 20.209 6 HB3 MET 43 1HB MET 43 1.617 4.747 20.310 7 HG2 MET 43 2HG MET 43 0.671 5.502 22.411 8 HG3 MET 43 1HG MET 43 -0.642 4.330 22.281 9 HE1 MET 43 3HE MET 43 -0.065 3.520 24.794 10 HE2 MET 43 1HE MET 43 1.273 4.667 24.877 11 HE3 MET 43 2HE MET 43 1.536 2.971 25.286 12 H ALA 44 H ALA 44 -2.370 6.897 20.404 13 HA ALA 44 HA ALA 44 -4.368 4.716 20.185 14 HB1 ALA 44 3HB ALA 44 -5.588 5.692 22.095 15 HB2 ALA 44 1HB ALA 44 -4.330 6.916 22.294 16 HB3 ALA 44 2HB ALA 44 -3.957 5.212 22.561 17 H THR 45 H THR 45 -5.657 5.158 18.513 18 HA THR 45 HA THR 45 -6.136 7.796 17.457 19 HB THR 45 HB THR 45 -7.490 5.140 16.778 20 HG1 THR 45 HG1 THR 45 -5.475 4.797 16.119 21 HG21 THR 45 3HG2 THR 45 -8.055 6.219 14.614 22 HG22 THR 45 1HG2 THR 45 -7.362 7.740 15.190 23 HG23 THR 45 2HG2 THR 45 -8.800 7.074 15.965 24 HA PRO 46 HA PRO 46 -9.532 8.896 20.330 25 HB2 PRO 46 2HB PRO 46 -10.414 10.577 17.969 26 HB3 PRO 46 1HB PRO 46 -10.184 11.049 19.662 27 HG2 PRO 46 2HG PRO 46 -8.362 11.729 17.853 28 HG3 PRO 46 1HG PRO 46 -7.843 11.146 19.449 29 HD2 PRO 46 2HD PRO 46 -7.912 9.666 16.823 30 HD3 PRO 46 1HD PRO 46 -6.656 9.670 18.083 31 H GLN 47 H GLN 47 -11.994 9.191 20.205 32 HA GLN 47 HA GLN 47 -13.177 6.756 19.244 33 HB2 GLN 47 2HB GLN 47 -13.815 7.758 21.433 34 HB3 GLN 47 1HB GLN 47 -14.452 9.173 20.602 35 HG2 GLN 47 2HG GLN 47 -16.117 7.633 19.455 36 HG3 GLN 47 1HG GLN 47 -15.555 6.352 20.528 37 HE21 GLN 47 1HE2 GLN 47 -18.213 7.599 20.280 38 HE22 GLN 47 2HE2 GLN 47 -18.611 8.173 21.859 39 H ASP 48 H ASP 48 -12.686 7.195 16.967 40 HA ASP 48 HA ASP 48 -15.017 8.190 15.525 41 HB2 ASP 48 2HB ASP 48 -12.242 8.996 14.536 42 HB3 ASP 48 1HB ASP 48 -13.792 9.491 13.884 43 H LYS 49 H LYS 49 -15.503 6.554 14.137 44 HA LYS 49 HA LYS 49 -13.941 4.190 13.936 45 HB2 LYS 49 2HB LYS 49 -16.259 5.051 12.144 46 HB3 LYS 49 1HB LYS 49 -15.679 3.401 12.375 47 HG2 LYS 49 2HG LYS 49 -16.412 3.450 14.726 48 HG3 LYS 49 1HG LYS 49 -16.922 5.133 14.540 49 HD2 LYS 49 2HD LYS 49 -18.579 4.403 12.814 50 HD3 LYS 49 1HD LYS 49 -18.102 2.725 13.108 51 HE2 LYS 49 2HE LYS 49 -18.877 2.902 15.441 52 HE3 LYS 49 1HE LYS 49 -19.306 4.598 15.181 53 HZ1 LYS 49 3HZ LYS 49 -20.884 3.841 13.477 54 HZ2 LYS 49 1HZ LYS 49 -21.242 3.231 15.015 55 HZ3 LYS 49 2HZ LYS 49 -20.514 2.237 13.858 56 H LEU 50 H LEU 50 -14.627 6.805 11.629 57 HA LEU 50 HA LEU 50 -12.360 5.947 9.926 58 HB2 LEU 50 2HB LEU 50 -14.858 7.531 9.181 59 HB3 LEU 50 1HB LEU 50 -13.504 7.236 8.094 60 HG LEU 50 HG LEU 50 -15.389 5.137 9.250 61 HD11 LEU 50 1HD1 LEU 50 -16.414 6.453 7.472 62 HD12 LEU 50 2HD1 LEU 50 -16.116 4.805 6.930 63 HD13 LEU 50 3HD1 LEU 50 -15.057 6.113 6.395 64 HD21 LEU 50 3HD2 LEU 50 -13.136 4.186 9.086 65 HD22 LEU 50 1HD2 LEU 50 -13.006 4.712 7.404 66 HD23 LEU 50 2HD2 LEU 50 -14.189 3.485 7.863 67 H HIS 51 H HIS 51 -11.897 7.419 12.319 68 HA HIS 51 HA HIS 51 -11.129 10.101 11.813 69 HB2 HIS 51 2HB HIS 51 -10.853 8.883 14.039 70 HB3 HIS 51 1HB HIS 51 -9.497 8.011 13.357 71 HD1 HIS 51 HD1 HIS 51 -10.365 11.094 15.121 72 HD2 HIS 51 HD2 HIS 51 -7.233 9.784 12.710 73 HE1 HIS 51 HE1 HIS 51 -8.469 12.689 15.541 74 HE2 HIS 51 HE2 HIS 51 -6.646 11.968 13.965 75 H THR 52 H THR 52 -9.364 7.094 11.443 76 HA THR 52 HA THR 52 -8.255 7.962 8.855 77 HB THR 52 HB THR 52 -6.461 6.134 9.378 78 HG1 THR 52 HG1 THR 52 -6.220 5.518 11.455 79 HG21 THR 52 3HG2 THR 52 -5.875 8.525 9.317 80 HG22 THR 52 1HG2 THR 52 -4.987 7.680 10.585 81 HG23 THR 52 2HG2 THR 52 -6.371 8.698 11.003 82 H VAL 53 H VAL 53 -8.313 6.332 7.253 83 HA VAL 53 HA VAL 53 -10.149 4.055 7.744 84 HB VAL 53 HB VAL 53 -9.210 5.166 5.048 85 HG11 VAL 53 1HG1 VAL 53 -9.822 2.787 4.924 86 HG12 VAL 53 2HG1 VAL 53 -11.037 3.759 4.093 87 HG13 VAL 53 3HG1 VAL 53 -11.373 3.120 5.702 88 HG21 VAL 53 3HG2 VAL 53 -11.873 5.623 6.462 89 HG22 VAL 53 1HG2 VAL 53 -11.478 6.153 4.824 90 HG23 VAL 53 2HG2 VAL 53 -10.616 6.834 6.204 91 H ARG 54 H ARG 54 -9.038 2.278 8.290 92 HA ARG 54 HA ARG 54 -6.281 1.899 7.277 93 HB2 ARG 54 2HB ARG 54 -6.439 2.229 9.727 94 HB3 ARG 54 1HB ARG 54 -7.569 0.885 9.853 95 HG2 ARG 54 2HG ARG 54 -5.850 -0.685 9.155 96 HG3 ARG 54 1HG ARG 54 -4.705 0.635 8.884 97 HD2 ARG 54 2HD ARG 54 -5.940 -0.031 11.588 98 HD3 ARG 54 1HD ARG 54 -4.373 -0.637 11.038 99 HE ARG 54 HE ARG 54 -4.802 2.277 11.122 100 HH11 ARG 54 1HH1 ARG 54 -3.243 -0.550 12.523 101 HH12 ARG 54 2HH1 ARG 54 -2.131 0.397 13.456 102 HH21 ARG 54 1HH2 ARG 54 -3.317 3.478 12.363 103 HH22 ARG 54 2HH2 ARG 54 -2.178 2.648 13.375 104 H LEU 55 H LEU 55 -6.112 0.384 5.789 105 HA LEU 55 HA LEU 55 -8.175 -1.741 5.515 106 HB2 LEU 55 2HB LEU 55 -7.726 0.242 3.715 107 HB3 LEU 55 1HB LEU 55 -6.484 -0.863 3.166 108 HG LEU 55 HG LEU 55 -9.472 -1.472 3.291 109 HD11 LEU 55 1HD1 LEU 55 -7.722 -0.889 0.874 110 HD12 LEU 55 2HD1 LEU 55 -8.955 0.175 1.559 111 HD13 LEU 55 3HD1 LEU 55 -9.426 -1.360 0.835 112 HD21 LEU 55 3HD2 LEU 55 -7.247 -3.173 2.114 113 HD22 LEU 55 1HD2 LEU 55 -8.973 -3.516 2.017 114 HD23 LEU 55 2HD2 LEU 55 -8.160 -3.534 3.580 115 H PHE 56 H PHE 56 -7.421 -3.846 5.272 116 HA PHE 56 HA PHE 56 -4.530 -4.351 5.744 117 HB2 PHE 56 2HB PHE 56 -6.922 -6.092 6.555 118 HB3 PHE 56 1HB PHE 56 -5.235 -6.373 6.972 119 HD1 PHE 56 HD2 PHE 56 -8.076 -3.980 7.526 120 HD2 PHE 56 HD1 PHE 56 -4.355 -5.477 9.001 121 HE1 PHE 56 HE2 PHE 56 -8.398 -2.723 9.621 122 HE2 PHE 56 HE1 PHE 56 -4.692 -4.221 11.090 123 HZ PHE 56 HZ PHE 56 -6.702 -2.845 11.402 124 H GLY 57 H GLY 57 -3.562 -5.998 4.430 125 HA2 GLY 57 2HA GLY 57 -4.893 -7.930 2.897 126 HA3 GLY 57 1HA GLY 57 -4.709 -6.507 1.871 127 H THR 58 H THR 58 -3.414 -7.940 0.524 128 HA THR 58 HA THR 58 -0.570 -7.990 1.355 129 HB THR 58 HB THR 58 -1.959 -10.139 -0.322 130 HG1 THR 58 HG1 THR 58 -1.422 -9.885 2.423 131 HG21 THR 58 3HG2 THR 58 0.471 -9.902 -0.822 132 HG22 THR 58 1HG2 THR 58 0.114 -11.431 -0.016 133 HG23 THR 58 2HG2 THR 58 0.833 -10.102 0.894 134 H VAL 59 H VAL 59 0.909 -7.553 -0.284 135 HA VAL 59 HA VAL 59 0.002 -5.770 -2.362 136 HB VAL 59 HB VAL 59 2.827 -6.663 -1.617 137 HG11 VAL 59 1HG1 VAL 59 3.603 -4.651 -2.839 138 HG12 VAL 59 2HG1 VAL 59 1.946 -4.317 -3.348 139 HG13 VAL 59 3HG1 VAL 59 2.762 -5.777 -3.909 140 HG21 VAL 59 3HG2 VAL 59 2.993 -4.540 -0.382 141 HG22 VAL 59 1HG2 VAL 59 1.689 -5.541 0.260 142 HG23 VAL 59 2HG2 VAL 59 1.318 -4.164 -0.778 143 H ALA 60 H ALA 60 -0.547 -6.479 -4.305 144 HA ALA 60 HA ALA 60 0.156 -9.007 -5.436 145 HB1 ALA 60 3HB ALA 60 -1.135 -6.578 -6.738 146 HB2 ALA 60 1HB ALA 60 -1.989 -7.921 -5.976 147 HB3 ALA 60 2HB ALA 60 -1.048 -8.192 -7.444 148 H ALA 61 H ALA 61 1.612 -9.446 -7.066 149 HA ALA 61 HA ALA 61 3.940 -7.760 -7.328 150 HB1 ALA 61 3HB ALA 61 4.846 -9.596 -8.704 151 HB2 ALA 61 1HB ALA 61 3.260 -10.380 -8.710 152 HB3 ALA 61 2HB ALA 61 4.155 -10.209 -7.201 153 H ASP 62 H ASP 62 1.252 -8.770 -9.345 154 HA ASP 62 HA ASP 62 2.140 -7.394 -11.728 155 HB2 ASP 62 2HB ASP 62 0.925 -9.556 -11.875 156 HB3 ASP 62 1HB ASP 62 -0.460 -8.854 -11.052 157 H GLY 63 H GLY 63 2.128 -5.227 -11.477 158 HA2 GLY 63 2HA GLY 63 0.893 -3.181 -11.701 159 HA3 GLY 63 1HA GLY 63 -0.377 -3.838 -10.684 160 H LEU 64 H LEU 64 3.117 -3.865 -10.145 161 HA LEU 64 HA LEU 64 2.852 -1.920 -7.915 162 HB2 LEU 64 2HB LEU 64 3.537 -4.312 -7.309 163 HB3 LEU 64 1HB LEU 64 5.009 -4.068 -8.228 164 HG LEU 64 HG LEU 64 4.279 -2.328 -5.818 165 HD11 LEU 64 1HD1 LEU 64 4.371 -4.660 -5.072 166 HD12 LEU 64 2HD1 LEU 64 5.710 -3.724 -4.421 167 HD13 LEU 64 3HD1 LEU 64 5.985 -4.838 -5.766 168 HD21 LEU 64 3HD2 LEU 64 6.697 -1.841 -5.696 169 HD22 LEU 64 1HD2 LEU 64 6.027 -1.350 -7.249 170 HD23 LEU 64 2HD2 LEU 64 6.983 -2.828 -7.134 171 H THR 65 H THR 65 3.811 -0.034 -8.325 172 HA THR 65 HA THR 65 6.224 0.211 -9.975 173 HB THR 65 HB THR 65 3.702 1.890 -10.400 174 HG1 THR 65 HG1 THR 65 4.678 -0.370 -11.624 175 HG21 THR 65 3HG2 THR 65 6.387 2.057 -11.832 176 HG22 THR 65 1HG2 THR 65 5.721 3.273 -10.736 177 HG23 THR 65 2HG2 THR 65 4.931 2.948 -12.279 178 H MET 66 H MET 66 7.564 1.903 -9.291 179 HA MET 66 HA MET 66 7.053 3.122 -6.703 180 HB2 MET 66 2HB MET 66 9.419 3.613 -8.566 181 HB3 MET 66 1HB MET 66 9.338 3.940 -6.835 182 HG2 MET 66 2HG MET 66 9.449 1.238 -8.206 183 HG3 MET 66 1HG MET 66 10.679 1.973 -7.176 184 HE1 MET 66 3HE MET 66 8.948 1.769 -3.636 185 HE2 MET 66 1HE MET 66 8.846 3.134 -4.754 186 HE3 MET 66 2HE MET 66 10.378 2.285 -4.518 187 H LEU 67 H LEU 67 6.978 5.483 -6.379 188 HA LEU 67 HA LEU 67 5.220 6.728 -8.243 189 HB2 LEU 67 2HB LEU 67 6.669 7.985 -5.887 190 HB3 LEU 67 1HB LEU 67 5.327 8.709 -6.764 191 HG LEU 67 HG LEU 67 5.258 6.288 -4.932 192 HD11 LEU 67 1HD1 LEU 67 3.644 7.608 -3.654 193 HD12 LEU 67 2HD1 LEU 67 3.784 8.938 -4.808 194 HD13 LEU 67 3HD1 LEU 67 5.175 8.468 -3.826 195 HD21 LEU 67 3HD2 LEU 67 3.019 7.247 -6.748 196 HD22 LEU 67 1HD2 LEU 67 2.857 6.040 -5.467 197 HD23 LEU 67 2HD2 LEU 67 3.880 5.710 -6.861 198 H ASP 68 H ASP 68 5.465 8.641 -9.429 199 HA ASP 68 HA ASP 68 8.037 8.904 -10.760 200 HB2 ASP 68 2HB ASP 68 6.746 10.357 -12.371 201 HB3 ASP 68 1HB ASP 68 6.109 8.729 -12.208 202 H GLY 69 H GLY 69 9.495 10.116 -9.707 203 HA2 GLY 69 2HA GLY 69 10.581 11.929 -8.833 204 HA3 GLY 69 1HA GLY 69 9.307 12.927 -9.516 205 H ALA 70 H ALA 70 8.909 10.397 -7.077 206 HA ALA 70 HA ALA 70 8.466 12.295 -4.903 207 HB1 ALA 70 3HB ALA 70 6.148 11.528 -4.479 208 HB2 ALA 70 1HB ALA 70 6.208 10.523 -5.935 209 HB3 ALA 70 2HB ALA 70 6.281 12.279 -6.070 210 HA PRO 71 HA PRO 71 9.761 8.567 -2.594 211 HB2 PRO 71 2HB PRO 71 9.099 9.354 -0.056 212 HB3 PRO 71 1HB PRO 71 10.508 10.005 -0.908 213 HG2 PRO 71 2HG PRO 71 7.766 11.212 -0.558 214 HG3 PRO 71 1HG PRO 71 9.360 11.988 -0.397 215 HD2 PRO 71 2HD PRO 71 7.835 12.223 -2.657 216 HD3 PRO 71 1HD PRO 71 9.610 12.245 -2.702 217 H GLY 72 H GLY 72 8.624 6.702 -2.438 218 HA2 GLY 72 2HA GLY 72 6.729 5.711 -1.018 219 HA3 GLY 72 1HA GLY 72 5.699 6.758 -1.991 220 H VAL 73 H VAL 73 4.680 4.704 -2.483 221 HA VAL 73 HA VAL 73 5.675 3.450 -4.890 222 HB VAL 73 HB VAL 73 6.801 2.049 -3.216 223 HG11 VAL 73 1HG1 VAL 73 5.588 0.711 -1.523 224 HG12 VAL 73 2HG1 VAL 73 4.075 1.489 -1.990 225 HG13 VAL 73 3HG1 VAL 73 5.363 2.444 -1.255 226 HG21 VAL 73 3HG2 VAL 73 4.456 0.541 -4.451 227 HG22 VAL 73 1HG2 VAL 73 5.977 -0.173 -3.902 228 HG23 VAL 73 2HG2 VAL 73 5.967 0.947 -5.267 229 H ARG 74 H ARG 74 3.990 3.128 -6.189 230 HA ARG 74 HA ARG 74 1.237 2.976 -5.184 231 HB2 ARG 74 2HB ARG 74 1.796 4.466 -7.141 232 HB3 ARG 74 1HB ARG 74 2.270 3.036 -8.055 233 HG2 ARG 74 2HG ARG 74 -0.107 2.175 -7.730 234 HG3 ARG 74 1HG ARG 74 -0.507 3.768 -7.071 235 HD2 ARG 74 2HD ARG 74 0.494 3.143 -9.867 236 HD3 ARG 74 1HD ARG 74 -1.119 3.695 -9.418 237 HE ARG 74 HE ARG 74 0.336 5.718 -8.515 238 HH11 ARG 74 1HH1 ARG 74 0.601 4.066 -11.607 239 HH12 ARG 74 2HH1 ARG 74 1.168 5.477 -12.439 240 HH21 ARG 74 1HH2 ARG 74 1.080 7.554 -9.626 241 HH22 ARG 74 2HH2 ARG 74 1.436 7.448 -11.323 242 H PHE 75 H PHE 75 0.187 1.025 -5.073 243 HA PHE 75 HA PHE 75 1.054 -1.254 -6.687 244 HB2 PHE 75 2HB PHE 75 1.414 -2.764 -4.750 245 HB3 PHE 75 1HB PHE 75 2.583 -1.454 -4.779 246 HD1 PHE 75 HD2 PHE 75 2.435 0.394 -3.088 247 HD2 PHE 75 HD1 PHE 75 -0.148 -3.013 -2.882 248 HE1 PHE 75 HE2 PHE 75 1.908 0.925 -0.742 249 HE2 PHE 75 HE1 PHE 75 -0.671 -2.466 -0.542 250 HZ PHE 75 HZ PHE 75 0.361 -0.505 0.532 251 H ARG 76 H ARG 76 -0.354 -3.135 -6.413 252 HA ARG 76 HA ARG 76 -3.153 -2.346 -5.954 253 HB2 ARG 76 2HB ARG 76 -1.842 -4.657 -7.445 254 HB3 ARG 76 1HB ARG 76 -3.578 -4.591 -7.143 255 HG2 ARG 76 2HG ARG 76 -3.784 -2.575 -8.456 256 HG3 ARG 76 1HG ARG 76 -2.030 -2.466 -8.638 257 HD2 ARG 76 2HD ARG 76 -3.117 -3.333 -10.668 258 HD3 ARG 76 1HD ARG 76 -2.013 -4.519 -9.968 259 HE ARG 76 HE ARG 76 -4.799 -4.757 -9.198 260 HH11 ARG 76 1HH1 ARG 76 -2.329 -5.823 -11.450 261 HH12 ARG 76 2HH1 ARG 76 -3.181 -7.272 -11.882 262 HH21 ARG 76 1HH2 ARG 76 -5.890 -6.654 -9.756 263 HH22 ARG 76 2HH2 ARG 76 -5.202 -7.736 -10.924 264 H LEU 77 H LEU 77 -4.156 -3.030 -4.137 265 HA LEU 77 HA LEU 77 -2.830 -4.954 -2.367 266 HB2 LEU 77 2HB LEU 77 -3.450 -2.627 -1.518 267 HB3 LEU 77 1HB LEU 77 -5.136 -3.078 -1.689 268 HG LEU 77 HG LEU 77 -4.704 -4.997 -0.066 269 HD11 LEU 77 1HD1 LEU 77 -2.690 -4.882 1.341 270 HD12 LEU 77 2HD1 LEU 77 -2.058 -3.571 0.345 271 HD13 LEU 77 3HD1 LEU 77 -2.289 -5.177 -0.351 272 HD21 LEU 77 3HD2 LEU 77 -4.782 -3.606 1.953 273 HD22 LEU 77 1HD2 LEU 77 -5.796 -2.912 0.688 274 HD23 LEU 77 2HD2 LEU 77 -4.215 -2.208 1.039 275 H GLU 78 H GLU 78 -3.541 -6.930 -2.556 276 HA GLU 78 HA GLU 78 -6.180 -7.752 -3.400 277 HB2 GLU 78 2HB GLU 78 -3.997 -9.425 -2.066 278 HB3 GLU 78 1HB GLU 78 -5.325 -10.011 -3.069 279 HG2 GLU 78 2HG GLU 78 -4.327 -8.985 -5.045 280 HG3 GLU 78 1HG GLU 78 -3.050 -8.265 -4.062 281 H ASP 79 H ASP 79 -7.893 -7.669 -2.004 282 HA ASP 79 HA ASP 79 -7.595 -7.211 0.815 283 HB2 ASP 79 2HB ASP 79 -9.508 -6.317 -0.588 284 HB3 ASP 79 1HB ASP 79 -10.124 -7.958 -0.737 285 H LYS 80 H LYS 80 -8.041 -8.630 2.535 286 HA LYS 80 HA LYS 80 -7.111 -11.283 2.186 287 HB2 LYS 80 2HB LYS 80 -8.369 -9.920 4.585 288 HB3 LYS 80 1HB LYS 80 -7.667 -11.534 4.649 289 HG2 LYS 80 2HG LYS 80 -6.063 -9.074 3.842 290 HG3 LYS 80 1HG LYS 80 -6.239 -9.596 5.517 291 HD2 LYS 80 2HD LYS 80 -4.170 -10.522 4.864 292 HD3 LYS 80 1HD LYS 80 -5.285 -11.875 4.730 293 HE2 LYS 80 2HE LYS 80 -5.400 -11.460 2.258 294 HE3 LYS 80 1HE LYS 80 -4.190 -10.190 2.443 295 HZ1 LYS 80 3HZ LYS 80 -2.711 -11.931 3.397 296 HZ2 LYS 80 1HZ LYS 80 -3.104 -12.172 1.769 297 HZ3 LYS 80 2HZ LYS 80 -3.863 -13.091 2.969 298 H ASP 81 H ASP 81 -10.371 -9.961 2.635 299 HA ASP 81 HA ASP 81 -11.615 -12.606 2.680 300 HB2 ASP 81 2HB ASP 81 -12.556 -10.791 4.078 301 HB3 ASP 81 1HB ASP 81 -12.848 -9.810 2.647 302 H ASN 82 H ASN 82 -11.139 -9.888 0.469 303 HA ASN 82 HA ASN 82 -12.577 -11.320 -1.706 304 HB2 ASN 82 2HB ASN 82 -13.708 -9.236 -0.992 305 HB3 ASN 82 1HB ASN 82 -12.235 -8.322 -1.294 306 HD21 ASN 82 1HD2 ASN 82 -13.288 -6.988 -2.780 307 HD22 ASN 82 2HD2 ASN 82 -13.780 -7.528 -4.342 308 H THR 83 H THR 83 -10.715 -12.436 -2.392 309 HA THR 83 HA THR 83 -8.471 -10.943 -3.526 310 HB THR 83 HB THR 83 -8.042 -13.098 -2.345 311 HG1 THR 83 HG1 THR 83 -7.195 -12.446 -4.859 312 HG21 THR 83 3HG2 THR 83 -8.610 -15.253 -3.397 313 HG22 THR 83 1HG2 THR 83 -9.495 -14.414 -4.670 314 HG23 THR 83 2HG2 THR 83 -10.080 -14.353 -3.007 315 H SER 84 H SER 84 -11.522 -11.208 -4.526 316 HA SER 84 HA SER 84 -11.052 -11.871 -7.346 317 HB2 SER 84 2HB SER 84 -13.617 -11.085 -5.891 318 HB3 SER 84 1HB SER 84 -13.510 -11.619 -7.572 319 HG SER 84 HG SER 84 -12.575 -13.183 -5.412 320 H LYS 85 H LYS 85 -10.332 -9.293 -5.577 321 HA LYS 85 HA LYS 85 -10.505 -7.395 -7.716 322 HB2 LYS 85 2HB LYS 85 -12.840 -7.358 -6.641 323 HB3 LYS 85 1HB LYS 85 -12.092 -6.692 -5.200 324 HG2 LYS 85 2HG LYS 85 -11.816 -5.312 -7.886 325 HG3 LYS 85 1HG LYS 85 -13.264 -5.102 -6.906 326 HD2 LYS 85 2HD LYS 85 -11.874 -4.204 -5.054 327 HD3 LYS 85 1HD LYS 85 -10.432 -4.396 -6.052 328 HE2 LYS 85 2HE LYS 85 -11.186 -2.071 -6.100 329 HE3 LYS 85 1HE LYS 85 -11.371 -2.798 -7.697 330 HZ1 LYS 85 3HZ LYS 85 -13.729 -3.140 -7.193 331 HZ2 LYS 85 1HZ LYS 85 -13.305 -1.503 -7.119 332 HZ3 LYS 85 2HZ LYS 85 -13.525 -2.386 -5.694 333 H THR 86 H THR 86 -8.881 -6.004 -7.570 334 HA THR 86 HA THR 86 -7.393 -5.613 -5.036 335 HB THR 86 HB THR 86 -5.416 -5.071 -6.520 336 HG1 THR 86 HG1 THR 86 -7.323 -5.224 -8.431 337 HG21 THR 86 3HG2 THR 86 -5.601 -7.367 -5.601 338 HG22 THR 86 1HG2 THR 86 -4.865 -7.369 -7.206 339 HG23 THR 86 2HG2 THR 86 -6.553 -7.849 -7.009 340 H VAL 87 H VAL 87 -7.265 -3.547 -4.341 341 HA VAL 87 HA VAL 87 -8.252 -1.311 -6.024 342 HB VAL 87 HB VAL 87 -7.618 -1.322 -3.022 343 HG11 VAL 87 1HG1 VAL 87 -8.888 0.802 -2.907 344 HG12 VAL 87 2HG1 VAL 87 -9.129 0.763 -4.656 345 HG13 VAL 87 3HG1 VAL 87 -7.504 0.945 -3.996 346 HG21 VAL 87 3HG2 VAL 87 -9.489 -2.850 -3.454 347 HG22 VAL 87 1HG2 VAL 87 -10.340 -1.595 -4.355 348 HG23 VAL 87 2HG2 VAL 87 -10.065 -1.407 -2.621 349 H TRP 88 H TRP 88 -6.794 0.448 -6.523 350 HA TRP 88 HA TRP 88 -3.959 -0.106 -6.353 351 HB2 TRP 88 2HB TRP 88 -5.515 2.352 -7.296 352 HB3 TRP 88 1HB TRP 88 -3.757 2.268 -7.305 353 HD1 TRP 88 HD1 TRP 88 -6.793 1.189 -9.314 354 HE1 TRP 88 HE1 TRP 88 -5.997 0.025 -11.470 355 HE3 TRP 88 HE3 TRP 88 -1.820 0.694 -8.194 356 HZ2 TRP 88 HZ2 TRP 88 -3.591 -0.972 -12.554 357 HZ3 TRP 88 HZ3 TRP 88 -0.335 -0.367 -9.841 358 HH2 TRP 88 HH2 TRP 88 -1.209 -1.198 -11.962 359 H VAL 89 H VAL 89 -2.446 1.284 -5.147 360 HA VAL 89 HA VAL 89 -3.588 2.742 -2.849 361 HB VAL 89 HB VAL 89 -1.346 0.679 -2.540 362 HG11 VAL 89 1HG1 VAL 89 -1.560 1.163 -0.104 363 HG12 VAL 89 2HG1 VAL 89 -2.744 2.422 -0.463 364 HG13 VAL 89 3HG1 VAL 89 -1.076 2.591 -1.020 365 HG21 VAL 89 3HG2 VAL 89 -3.504 -0.479 -2.846 366 HG22 VAL 89 1HG2 VAL 89 -4.221 0.497 -1.555 367 HG23 VAL 89 2HG2 VAL 89 -2.934 -0.650 -1.182 368 H LEU 90 H LEU 90 -2.769 4.678 -2.975 369 HA LEU 90 HA LEU 90 -0.106 5.253 -4.028 370 HB2 LEU 90 2HB LEU 90 -2.025 6.686 -4.710 371 HB3 LEU 90 1HB LEU 90 -2.347 7.064 -3.027 372 HG LEU 90 HG LEU 90 -0.169 8.250 -2.872 373 HD11 LEU 90 1HD1 LEU 90 1.144 8.744 -4.883 374 HD12 LEU 90 2HD1 LEU 90 0.089 7.711 -5.850 375 HD13 LEU 90 3HD1 LEU 90 1.090 7.005 -4.578 376 HD21 LEU 90 3HD2 LEU 90 -1.961 9.238 -5.114 377 HD22 LEU 90 1HD2 LEU 90 -0.814 10.219 -4.198 378 HD23 LEU 90 2HD2 LEU 90 -2.209 9.512 -3.387 379 H TYR 91 H TYR 91 1.169 4.328 -2.329 380 HA TYR 91 HA TYR 91 1.033 5.636 0.300 381 HB2 TYR 91 2HB TYR 91 1.627 3.262 0.400 382 HB3 TYR 91 1HB TYR 91 2.927 3.493 -0.770 383 HD1 TYR 91 HD1 TYR 91 1.852 4.952 2.536 384 HD2 TYR 91 HD2 TYR 91 5.123 3.583 0.142 385 HE1 TYR 91 HE1 TYR 91 3.402 5.458 4.370 386 HE2 TYR 91 HE2 TYR 91 6.676 4.081 1.982 387 HH TYR 91 HH TYR 91 6.812 5.479 3.968 388 H LYS 92 H LYS 92 1.987 7.604 0.500 389 HA LYS 92 HA LYS 92 4.501 8.149 -0.956 390 HB2 LYS 92 2HB LYS 92 2.620 10.033 0.533 391 HB3 LYS 92 1HB LYS 92 4.138 10.526 -0.220 392 HG2 LYS 92 2HG LYS 92 3.263 9.840 -2.430 393 HG3 LYS 92 1HG LYS 92 1.738 9.360 -1.673 394 HD2 LYS 92 2HD LYS 92 1.350 11.692 -0.968 395 HD3 LYS 92 1HD LYS 92 2.886 12.181 -1.695 396 HE2 LYS 92 2HE LYS 92 2.036 11.544 -3.914 397 HE3 LYS 92 1HE LYS 92 0.518 11.008 -3.190 398 HZ1 LYS 92 3HZ LYS 92 0.312 13.208 -4.132 399 HZ2 LYS 92 1HZ LYS 92 1.570 13.787 -3.162 400 HZ3 LYS 92 2HZ LYS 92 0.124 13.274 -2.457 401 H GLY 93 H GLY 93 6.368 8.092 0.127 402 HA2 GLY 93 2HA GLY 93 7.357 9.064 2.329 403 HA3 GLY 93 1HA GLY 93 6.405 7.775 3.062 404 H ALA 94 H ALA 94 8.598 7.174 3.844 405 HA ALA 94 HA ALA 94 10.563 6.079 2.119 406 HB1 ALA 94 3HB ALA 94 11.084 6.865 4.389 407 HB2 ALA 94 1HB ALA 94 11.563 5.178 4.192 408 HB3 ALA 94 2HB ALA 94 10.091 5.584 5.081 409 H VAL 95 H VAL 95 10.402 4.268 0.984 410 HA VAL 95 HA VAL 95 8.471 2.170 1.571 411 HB VAL 95 HB VAL 95 10.518 2.318 -0.695 412 HG11 VAL 95 1HG1 VAL 95 9.061 0.659 -1.843 413 HG12 VAL 95 2HG1 VAL 95 8.042 0.567 -0.407 414 HG13 VAL 95 3HG1 VAL 95 9.717 0.017 -0.331 415 HG21 VAL 95 3HG2 VAL 95 9.005 4.243 -0.774 416 HG22 VAL 95 1HG2 VAL 95 7.600 3.181 -0.688 417 HG23 VAL 95 2HG2 VAL 95 8.657 3.138 -2.103 418 HA PRO 96 HA PRO 96 11.645 0.104 4.108 419 HB2 PRO 96 2HB PRO 96 9.661 -2.144 4.124 420 HB3 PRO 96 1HB PRO 96 10.407 -1.290 5.480 421 HG2 PRO 96 2HG PRO 96 7.843 -0.865 4.848 422 HG3 PRO 96 1HG PRO 96 8.883 0.480 5.376 423 HD2 PRO 96 2HD PRO 96 8.041 -0.281 2.573 424 HD3 PRO 96 1HD PRO 96 8.111 1.330 3.331 425 H ASP 97 H ASP 97 13.109 -1.614 3.947 426 HA ASP 97 HA ASP 97 13.615 -2.917 1.460 427 HB2 ASP 97 2HB ASP 97 14.701 -3.475 4.265 428 HB3 ASP 97 1HB ASP 97 15.289 -4.286 2.816 429 H THR 98 H THR 98 11.745 -3.718 4.267 430 HA THR 98 HA THR 98 11.412 -6.528 3.668 431 HB THR 98 HB THR 98 11.407 -5.873 6.001 432 HG1 THR 98 HG1 THR 98 9.000 -6.570 6.381 433 HG21 THR 98 3HG2 THR 98 10.565 -3.580 5.863 434 HG22 THR 98 1HG2 THR 98 9.615 -4.522 7.015 435 HG23 THR 98 2HG2 THR 98 8.966 -4.176 5.412 436 H PHE 99 H PHE 99 9.913 -3.587 2.651 437 HA PHE 99 HA PHE 99 7.420 -4.771 1.786 438 HB2 PHE 99 2HB PHE 99 7.599 -2.324 2.253 439 HB3 PHE 99 1HB PHE 99 8.729 -2.153 0.914 440 HD1 PHE 99 HD1 PHE 99 5.195 -2.777 1.813 441 HD2 PHE 99 HD2 PHE 99 7.928 -2.179 -1.415 442 HE1 PHE 99 HE1 PHE 99 3.309 -2.448 0.268 443 HE2 PHE 99 HE2 PHE 99 6.035 -1.857 -2.949 444 HZ PHE 99 HZ PHE 99 3.730 -1.988 -2.110 445 H LYS 100 H LYS 100 7.431 -6.242 0.249 446 HA LYS 100 HA LYS 100 8.738 -5.770 -2.309 447 HB2 LYS 100 2HB LYS 100 9.371 -8.381 -2.203 448 HB3 LYS 100 1HB LYS 100 10.471 -7.151 -1.622 449 HG2 LYS 100 2HG LYS 100 10.454 -8.997 -0.067 450 HG3 LYS 100 1HG LYS 100 9.727 -7.591 0.708 451 HD2 LYS 100 2HD LYS 100 7.466 -8.549 0.274 452 HD3 LYS 100 1HD LYS 100 8.229 -9.962 -0.464 453 HE2 LYS 100 2HE LYS 100 8.601 -9.090 2.426 454 HE3 LYS 100 1HE LYS 100 7.523 -10.372 1.885 455 HZ1 LYS 100 3HZ LYS 100 9.471 -11.555 1.009 456 HZ2 LYS 100 1HZ LYS 100 9.567 -11.304 2.680 457 HZ3 LYS 100 2HZ LYS 100 10.480 -10.347 1.631 458 HA PRO 101 HA PRO 101 4.832 -7.258 -3.980 459 HB2 PRO 101 2HB PRO 101 5.724 -8.944 -6.053 460 HB3 PRO 101 1HB PRO 101 5.551 -7.189 -6.168 461 HG2 PRO 101 2HG PRO 101 8.019 -8.816 -5.569 462 HG3 PRO 101 1HG PRO 101 7.835 -7.420 -6.656 463 HD2 PRO 101 2HD PRO 101 8.912 -7.084 -4.245 464 HD3 PRO 101 1HD PRO 101 7.749 -5.881 -4.860 465 H GLY 102 H GLY 102 3.845 -8.512 -2.463 466 HA2 GLY 102 2HA GLY 102 3.040 -10.890 -2.248 467 HA3 GLY 102 1HA GLY 102 4.731 -11.327 -2.054 468 H VAL 103 H VAL 103 4.678 -8.487 -0.473 469 HA VAL 103 HA VAL 103 4.503 -9.748 2.133 470 HB VAL 103 HB VAL 103 6.247 -8.020 1.684 471 HG11 VAL 103 1HG1 VAL 103 3.987 -5.998 1.612 472 HG12 VAL 103 2HG1 VAL 103 4.977 -6.480 0.239 473 HG13 VAL 103 3HG1 VAL 103 5.711 -5.615 1.590 474 HG21 VAL 103 3HG2 VAL 103 4.344 -7.236 3.928 475 HG22 VAL 103 1HG2 VAL 103 6.048 -6.772 3.824 476 HG23 VAL 103 2HG2 VAL 103 5.601 -8.467 4.015 477 H GLU 104 H GLU 104 2.839 -9.634 3.590 478 HA GLU 104 HA GLU 104 0.310 -8.414 2.946 479 HB2 GLU 104 2HB GLU 104 1.260 -9.643 5.584 480 HB3 GLU 104 1HB GLU 104 -0.404 -9.219 5.180 481 HG2 GLU 104 2HG GLU 104 -0.253 -10.907 3.288 482 HG3 GLU 104 1HG GLU 104 1.291 -11.421 3.966 483 H VAL 105 H VAL 105 -0.166 -6.343 3.346 484 HA VAL 105 HA VAL 105 1.368 -4.848 5.398 485 HB VAL 105 HB VAL 105 1.236 -2.802 4.025 486 HG11 VAL 105 1HG1 VAL 105 3.284 -4.138 3.900 487 HG12 VAL 105 2HG1 VAL 105 2.955 -3.370 2.349 488 HG13 VAL 105 3HG1 VAL 105 2.615 -5.088 2.565 489 HG21 VAL 105 3HG2 VAL 105 0.589 -2.868 1.633 490 HG22 VAL 105 1HG2 VAL 105 -0.770 -3.296 2.672 491 HG23 VAL 105 2HG2 VAL 105 0.108 -4.558 1.804 492 H ILE 106 H ILE 106 0.337 -3.189 6.422 493 HA ILE 106 HA ILE 106 -2.602 -3.008 6.271 494 HB ILE 106 HB ILE 106 -0.754 -2.305 8.608 495 HG12 ILE 106 2HG1 ILE 106 -2.633 -4.698 8.341 496 HG13 ILE 106 1HG1 ILE 106 -0.873 -4.769 8.270 497 HG21 ILE 106 1HG2 ILE 106 -2.818 -1.990 9.920 498 HG22 ILE 106 2HG2 ILE 106 -3.790 -2.328 8.486 499 HG23 ILE 106 3HG2 ILE 106 -2.764 -0.893 8.537 500 HD11 ILE 106 3HD1 ILE 106 -0.774 -3.981 10.605 501 HD12 ILE 106 1HD1 ILE 106 -1.670 -5.491 10.421 502 HD13 ILE 106 2HD1 ILE 106 -2.541 -3.978 10.658 503 H ILE 107 H ILE 107 -2.985 -1.276 5.010 504 HA ILE 107 HA ILE 107 -1.205 1.084 5.069 505 HB ILE 107 HB ILE 107 -2.410 1.830 3.050 506 HG12 ILE 107 2HG1 ILE 107 -4.055 -0.742 3.293 507 HG13 ILE 107 1HG1 ILE 107 -4.668 0.880 3.578 508 HG21 ILE 107 1HG2 ILE 107 -1.643 0.074 1.472 509 HG22 ILE 107 2HG2 ILE 107 -1.494 -1.064 2.814 510 HG23 ILE 107 3HG2 ILE 107 -0.460 0.363 2.751 511 HD11 ILE 107 3HD1 ILE 107 -5.388 0.072 1.443 512 HD12 ILE 107 1HD1 ILE 107 -3.723 -0.246 0.954 513 HD13 ILE 107 2HD1 ILE 107 -4.268 1.414 1.209 514 H GLU 108 H GLU 108 -2.137 3.179 5.366 515 HA GLU 108 HA GLU 108 -4.830 3.372 6.501 516 HB2 GLU 108 2HB GLU 108 -3.442 2.909 8.466 517 HB3 GLU 108 1HB GLU 108 -2.302 4.162 7.994 518 HG2 GLU 108 2HG GLU 108 -4.100 5.858 8.281 519 HG3 GLU 108 1HG GLU 108 -5.164 4.572 8.867 520 H GLY 109 H GLY 109 -5.751 5.243 6.015 521 HA2 GLY 109 2HA GLY 109 -4.774 7.763 5.672 522 HA3 GLY 109 1HA GLY 109 -4.561 7.005 4.098 523 H GLY 110 H GLY 110 -6.232 7.280 2.743 524 HA2 GLY 110 2HA GLY 110 -8.909 6.578 3.476 525 HA3 GLY 110 1HA GLY 110 -8.722 8.317 3.253 526 H LEU 111 H LEU 111 -10.415 6.901 1.677 527 HA LEU 111 HA LEU 111 -9.110 6.859 -0.989 528 HB2 LEU 111 2HB LEU 111 -9.912 4.629 -0.236 529 HB3 LEU 111 1HB LEU 111 -11.521 5.277 0.007 530 HG LEU 111 HG LEU 111 -11.748 5.666 -2.444 531 HD11 LEU 111 1HD1 LEU 111 -9.025 4.338 -2.694 532 HD12 LEU 111 2HD1 LEU 111 -9.391 6.034 -3.025 533 HD13 LEU 111 3HD1 LEU 111 -10.100 4.772 -4.027 534 HD21 LEU 111 3HD2 LEU 111 -11.945 3.301 -3.118 535 HD22 LEU 111 1HD2 LEU 111 -12.564 3.559 -1.490 536 HD23 LEU 111 2HD2 LEU 111 -10.982 2.807 -1.724 537 H ALA 112 H ALA 112 -9.768 8.485 -2.255 538 HA ALA 112 HA ALA 112 -12.147 10.067 -1.613 539 HB1 ALA 112 3HB ALA 112 -10.049 11.261 -2.081 540 HB2 ALA 112 1HB ALA 112 -11.274 11.653 -3.288 541 HB3 ALA 112 2HB ALA 112 -9.969 10.530 -3.685 542 HA PRO 113 HA PRO 113 -14.531 7.871 -4.820 543 HB2 PRO 113 2HB PRO 113 -16.651 9.638 -4.998 544 HB3 PRO 113 1HB PRO 113 -16.472 8.459 -3.693 545 HG2 PRO 113 2HG PRO 113 -15.762 11.387 -3.718 546 HG3 PRO 113 1HG PRO 113 -16.593 10.447 -2.456 547 HD2 PRO 113 2HD PRO 113 -13.958 11.057 -2.275 548 HD3 PRO 113 1HD PRO 113 -14.596 9.520 -1.655 549 H GLY 114 H GLY 114 -12.999 8.124 -6.436 550 HA2 GLY 114 2HA GLY 114 -13.501 9.306 -8.816 551 HA3 GLY 114 1HA GLY 114 -12.665 10.587 -7.939 552 H GLU 115 H GLU 115 -10.904 9.044 -6.414 553 HA GLU 115 HA GLU 115 -8.964 8.127 -8.385 554 HB2 GLU 115 2HB GLU 115 -8.830 8.677 -5.393 555 HB3 GLU 115 1HB GLU 115 -7.548 7.784 -6.198 556 HG2 GLU 115 2HG GLU 115 -6.909 10.102 -5.944 557 HG3 GLU 115 1HG GLU 115 -7.083 9.709 -7.650 558 H ASP 116 H ASP 116 -8.742 6.054 -8.906 559 HA ASP 116 HA ASP 116 -9.960 3.850 -7.521 560 HB2 ASP 116 2HB ASP 116 -7.777 3.854 -9.659 561 HB3 ASP 116 1HB ASP 116 -8.609 2.414 -9.083 562 H THR 117 H THR 117 -7.123 5.670 -7.074 563 HA THR 117 HA THR 117 -5.678 3.605 -5.612 564 HB THR 117 HB THR 117 -4.462 4.993 -7.259 565 HG1 THR 117 HG1 THR 117 -2.704 5.025 -6.037 566 HG21 THR 117 3HG2 THR 117 -4.861 7.319 -5.343 567 HG22 THR 117 1HG2 THR 117 -5.574 7.184 -6.955 568 HG23 THR 117 2HG2 THR 117 -3.825 7.318 -6.770 569 H PHE 118 H PHE 118 -5.803 3.414 -3.543 570 HA PHE 118 HA PHE 118 -7.119 5.156 -1.709 571 HB2 PHE 118 2HB PHE 118 -7.078 2.643 -1.508 572 HB3 PHE 118 1HB PHE 118 -5.358 2.716 -1.150 573 HD1 PHE 118 HD1 PHE 118 -4.592 3.798 1.033 574 HD2 PHE 118 HD2 PHE 118 -8.720 3.054 0.185 575 HE1 PHE 118 HE1 PHE 118 -5.129 4.023 3.424 576 HE2 PHE 118 HE2 PHE 118 -9.237 3.278 2.576 577 HZ PHE 118 HZ PHE 118 -7.452 3.758 4.190 578 H LYS 119 H LYS 119 -6.196 6.933 -0.920 579 HA LYS 119 HA LYS 119 -3.383 7.550 -1.177 580 HB2 LYS 119 2HB LYS 119 -5.578 9.066 0.303 581 HB3 LYS 119 1HB LYS 119 -4.027 9.719 -0.219 582 HG2 LYS 119 2HG LYS 119 -4.677 9.714 -2.518 583 HG3 LYS 119 1HG LYS 119 -6.070 8.667 -2.202 584 HD2 LYS 119 2HD LYS 119 -7.122 10.485 -0.879 585 HD3 LYS 119 1HD LYS 119 -5.741 11.531 -1.221 586 HE2 LYS 119 2HE LYS 119 -7.566 10.362 -3.344 587 HE3 LYS 119 1HE LYS 119 -7.737 11.976 -2.655 588 HZ1 LYS 119 3HZ LYS 119 -6.553 12.029 -4.729 589 HZ2 LYS 119 1HZ LYS 119 -5.376 10.972 -4.132 590 HZ3 LYS 119 2HZ LYS 119 -5.542 12.516 -3.464 591 H ALA 120 H ALA 120 -2.324 6.039 0.143 592 HA ALA 120 HA ALA 120 -2.941 5.815 2.989 593 HB1 ALA 120 3HB ALA 120 -0.921 4.323 1.278 594 HB2 ALA 120 1HB ALA 120 -2.533 3.748 1.720 595 HB3 ALA 120 2HB ALA 120 -1.305 3.973 2.966 596 H ARG 121 H ARG 121 -2.073 7.373 4.238 597 HA ARG 121 HA ARG 121 0.443 8.682 3.751 598 HB2 ARG 121 2HB ARG 121 0.155 9.716 5.947 599 HB3 ARG 121 1HB ARG 121 -1.377 9.778 5.087 600 HG2 ARG 121 2HG ARG 121 -2.358 8.115 6.473 601 HG3 ARG 121 1HG ARG 121 -0.796 7.575 7.068 602 HD2 ARG 121 2HD ARG 121 -0.535 9.792 8.222 603 HD3 ARG 121 1HD ARG 121 -2.205 10.162 7.764 604 HE ARG 121 HE ARG 121 -2.163 7.673 9.077 605 HH11 ARG 121 1HH1 ARG 121 -1.752 11.080 9.829 606 HH12 ARG 121 2HH1 ARG 121 -2.124 10.870 11.510 607 HH21 ARG 121 1HH2 ARG 121 -2.650 7.433 11.281 608 HH22 ARG 121 2HH2 ARG 121 -2.645 8.826 12.316 609 H THR 122 H THR 122 -0.534 5.701 5.224 610 HA THR 122 HA THR 122 2.050 5.346 6.605 611 HB THR 122 HB THR 122 -0.631 4.387 7.711 612 HG1 THR 122 HG1 THR 122 -0.680 6.137 9.003 613 HG21 THR 122 3HG2 THR 122 0.614 4.033 9.806 614 HG22 THR 122 1HG2 THR 122 2.098 4.570 9.022 615 HG23 THR 122 2HG2 THR 122 1.311 3.079 8.494 616 H LEU 123 H LEU 123 2.840 3.290 6.547 617 HA LEU 123 HA LEU 123 1.411 1.119 5.154 618 HB2 LEU 123 2HB LEU 123 2.939 2.309 3.545 619 HB3 LEU 123 1HB LEU 123 4.281 2.008 4.632 620 HG LEU 123 HG LEU 123 3.923 -0.473 4.258 621 HD11 LEU 123 1HD1 LEU 123 2.024 0.453 2.081 622 HD12 LEU 123 2HD1 LEU 123 1.585 -0.444 3.537 623 HD13 LEU 123 3HD1 LEU 123 2.603 -1.200 2.313 624 HD21 LEU 123 3HD2 LEU 123 4.559 1.169 1.783 625 HD22 LEU 123 1HD2 LEU 123 5.041 -0.501 2.078 626 HD23 LEU 123 2HD2 LEU 123 5.688 0.786 3.087 627 H MET 124 H MET 124 1.701 -0.795 6.224 628 HA MET 124 HA MET 124 3.809 -1.009 8.296 629 HB2 MET 124 2HB MET 124 1.652 -0.275 9.348 630 HB3 MET 124 1HB MET 124 0.864 -1.701 8.697 631 HG2 MET 124 2HG MET 124 2.479 -3.093 10.056 632 HG3 MET 124 1HG MET 124 3.009 -1.594 10.824 633 HE1 MET 124 3HE MET 124 -0.459 -0.439 12.463 634 HE2 MET 124 1HE MET 124 0.065 -0.062 10.821 635 HE3 MET 124 2HE MET 124 1.209 0.042 12.162 636 H THR 125 H THR 125 4.989 -2.477 7.176 637 HA THR 125 HA THR 125 3.957 -4.766 5.803 638 HB THR 125 HB THR 125 6.460 -5.431 5.825 639 HG1 THR 125 HG1 THR 125 6.843 -4.087 7.776 640 HG21 THR 125 3HG2 THR 125 5.774 -2.671 4.716 641 HG22 THR 125 1HG2 THR 125 5.495 -4.211 3.898 642 HG23 THR 125 2HG2 THR 125 7.144 -3.673 4.221 643 H LYS 126 H LYS 126 3.385 -6.696 6.691 644 HA LYS 126 HA LYS 126 3.684 -7.078 9.581 645 HB2 LYS 126 2HB LYS 126 1.594 -7.792 7.558 646 HB3 LYS 126 1HB LYS 126 1.869 -9.004 8.803 647 HG2 LYS 126 2HG LYS 126 1.266 -6.087 9.418 648 HG3 LYS 126 1HG LYS 126 0.029 -7.350 9.306 649 HD2 LYS 126 2HD LYS 126 1.093 -8.595 11.153 650 HD3 LYS 126 1HD LYS 126 2.397 -7.409 11.231 651 HE2 LYS 126 2HE LYS 126 -0.519 -6.747 11.769 652 HE3 LYS 126 1HE LYS 126 0.653 -7.170 13.021 653 HZ1 LYS 126 3HZ LYS 126 0.865 -4.860 11.167 654 HZ2 LYS 126 1HZ LYS 126 2.000 -5.277 12.352 655 HZ3 LYS 126 2HZ LYS 126 0.444 -4.786 12.801 656 H CYS 127 H CYS 127 5.256 -8.031 6.846 657 HA CYS 127 HA CYS 127 6.147 -10.607 7.947 658 HB2 CYS 127 2HB CYS 127 5.830 -10.502 5.503 659 HB3 CYS 127 1HB CYS 127 6.949 -9.147 5.384 660 HG CYS 127 HG CYS 127 8.330 -11.785 6.865 661 HA PRO 128 HA PRO 128 9.435 -8.053 10.004 662 HB2 PRO 128 2HB PRO 128 10.011 -10.679 11.328 663 HB3 PRO 128 1HB PRO 128 9.714 -9.102 12.067 664 HG2 PRO 128 2HG PRO 128 7.873 -11.048 12.199 665 HG3 PRO 128 1HG PRO 128 7.391 -9.349 11.983 666 HD2 PRO 128 2HD PRO 128 7.611 -11.535 9.901 667 HD3 PRO 128 1HD PRO 128 6.316 -10.339 10.144 668 H LEU 129 H LEU 129 11.196 -7.749 8.748 669 HA LEU 129 HA LEU 129 12.641 -10.010 7.524 670 HB2 LEU 129 2HB LEU 129 12.010 -7.991 6.137 671 HB3 LEU 129 1HB LEU 129 13.064 -7.013 7.142 672 HG LEU 129 HG LEU 129 15.011 -8.427 6.390 673 HD11 LEU 129 1HD1 LEU 129 14.767 -9.881 4.417 674 HD12 LEU 129 2HD1 LEU 129 13.017 -9.655 4.451 675 HD13 LEU 129 3HD1 LEU 129 13.828 -10.481 5.784 676 HD21 LEU 129 3HD2 LEU 129 15.213 -7.409 4.156 677 HD22 LEU 129 1HD2 LEU 129 14.570 -6.259 5.327 678 HD23 LEU 129 2HD2 LEU 129 13.490 -7.027 4.160 679 H GLU 130 H GLU 130 14.170 -10.872 8.778 680 HA GLU 130 HA GLU 130 15.132 -9.636 11.169 681 HB2 GLU 130 2HB GLU 130 16.179 -12.172 9.837 682 HB3 GLU 130 1HB GLU 130 16.490 -11.661 11.489 683 HG2 GLU 130 2HG GLU 130 14.874 -13.369 11.648 684 HG3 GLU 130 1HG GLU 130 13.999 -11.861 11.911 Start of MODEL 14 1 H1 MET 43 1H MET 43 -14.586 24.082 5.376 2 H2 MET 43 2H MET 43 -13.735 22.712 4.871 3 H3 MET 43 3H MET 43 -12.898 24.114 5.290 4 HA MET 43 HA MET 43 -13.606 23.926 7.561 5 HB2 MET 43 2HB MET 43 -15.008 21.412 6.562 6 HB3 MET 43 1HB MET 43 -14.748 21.760 8.269 7 HG2 MET 43 2HG MET 43 -16.144 23.756 8.102 8 HG3 MET 43 1HG MET 43 -16.351 23.494 6.369 9 HE1 MET 43 3HE MET 43 -18.586 20.285 6.242 10 HE2 MET 43 1HE MET 43 -16.830 20.370 6.091 11 HE3 MET 43 2HE MET 43 -17.845 21.582 5.306 12 H ALA 44 H ALA 44 -11.275 23.950 7.176 13 HA ALA 44 HA ALA 44 -9.240 23.289 7.872 14 HB1 ALA 44 3HB ALA 44 -10.461 22.545 9.869 15 HB2 ALA 44 1HB ALA 44 -9.060 21.519 9.555 16 HB3 ALA 44 2HB ALA 44 -10.682 20.948 9.151 17 H THR 45 H THR 45 -10.597 21.874 5.386 18 HA THR 45 HA THR 45 -10.218 20.342 3.795 19 HB THR 45 HB THR 45 -7.288 20.356 4.624 20 HG1 THR 45 HG1 THR 45 -7.718 22.479 4.464 21 HG21 THR 45 3HG2 THR 45 -6.853 20.064 2.210 22 HG22 THR 45 1HG2 THR 45 -8.590 20.083 1.878 23 HG23 THR 45 2HG2 THR 45 -7.882 18.760 2.807 24 HA PRO 46 HA PRO 46 -11.034 17.110 6.973 25 HB2 PRO 46 2HB PRO 46 -12.109 15.777 4.481 26 HB3 PRO 46 1HB PRO 46 -12.805 15.838 6.110 27 HG2 PRO 46 2HG PRO 46 -13.749 17.462 4.244 28 HG3 PRO 46 1HG PRO 46 -13.461 18.090 5.883 29 HD2 PRO 46 2HD PRO 46 -11.814 18.469 3.388 30 HD3 PRO 46 1HD PRO 46 -12.173 19.629 4.687 31 H GLN 47 H GLN 47 -9.441 15.931 7.721 32 HA GLN 47 HA GLN 47 -8.393 13.630 6.251 33 HB2 GLN 47 2HB GLN 47 -6.829 15.676 5.891 34 HB3 GLN 47 1HB GLN 47 -6.442 15.559 7.604 35 HG2 GLN 47 2HG GLN 47 -5.537 13.293 7.253 36 HG3 GLN 47 1HG GLN 47 -5.964 13.365 5.546 37 HE21 GLN 47 1HE2 GLN 47 -4.766 14.722 4.165 38 HE22 GLN 47 2HE2 GLN 47 -3.200 15.318 4.591 39 H ASP 48 H ASP 48 -10.267 13.856 8.214 40 HA ASP 48 HA ASP 48 -9.577 13.919 10.893 41 HB2 ASP 48 2HB ASP 48 -11.878 14.150 10.131 42 HB3 ASP 48 1HB ASP 48 -11.885 12.515 9.494 43 H LYS 49 H LYS 49 -9.159 12.401 12.467 44 HA LYS 49 HA LYS 49 -7.668 10.068 11.526 45 HB2 LYS 49 2HB LYS 49 -7.794 11.202 14.341 46 HB3 LYS 49 1HB LYS 49 -6.593 10.087 13.697 47 HG2 LYS 49 2HG LYS 49 -6.953 13.015 12.956 48 HG3 LYS 49 1HG LYS 49 -5.630 12.305 13.892 49 HD2 LYS 49 2HD LYS 49 -4.897 11.045 11.898 50 HD3 LYS 49 1HD LYS 49 -6.239 11.718 10.965 51 HE2 LYS 49 2HE LYS 49 -3.941 13.309 12.169 52 HE3 LYS 49 1HE LYS 49 -4.129 12.878 10.468 53 HZ1 LYS 49 3HZ LYS 49 -6.171 14.185 10.400 54 HZ2 LYS 49 1HZ LYS 49 -4.854 15.138 10.882 55 HZ3 LYS 49 2HZ LYS 49 -5.977 14.608 12.024 56 H LEU 50 H LEU 50 -10.627 10.804 13.230 57 HA LEU 50 HA LEU 50 -10.950 8.361 14.664 58 HB2 LEU 50 2HB LEU 50 -12.967 10.448 13.754 59 HB3 LEU 50 1HB LEU 50 -13.405 9.073 14.757 60 HG LEU 50 HG LEU 50 -11.392 11.207 15.576 61 HD11 LEU 50 1HD1 LEU 50 -13.138 12.065 17.091 62 HD12 LEU 50 2HD1 LEU 50 -14.303 10.936 16.392 63 HD13 LEU 50 3HD1 LEU 50 -13.599 12.212 15.394 64 HD21 LEU 50 3HD2 LEU 50 -11.588 10.227 17.826 65 HD22 LEU 50 1HD2 LEU 50 -10.979 9.046 16.665 66 HD23 LEU 50 2HD2 LEU 50 -12.661 8.972 17.201 67 H HIS 51 H HIS 51 -11.938 9.379 11.371 68 HA HIS 51 HA HIS 51 -13.006 6.650 10.898 69 HB2 HIS 51 2HB HIS 51 -14.557 7.472 9.330 70 HB3 HIS 51 1HB HIS 51 -14.589 8.678 10.600 71 HD1 HIS 51 HD1 HIS 51 -13.620 8.144 7.037 72 HD2 HIS 51 HD2 HIS 51 -13.752 11.242 9.800 73 HE1 HIS 51 HE1 HIS 51 -13.310 10.247 5.703 74 HE2 HIS 51 HE2 HIS 51 -13.494 12.118 7.381 75 H THR 52 H THR 52 -10.137 7.706 10.712 76 HA THR 52 HA THR 52 -9.194 7.471 8.073 77 HB THR 52 HB THR 52 -7.804 6.579 10.652 78 HG1 THR 52 HG1 THR 52 -8.469 8.976 9.794 79 HG21 THR 52 3HG2 THR 52 -6.672 5.610 8.643 80 HG22 THR 52 1HG2 THR 52 -5.680 6.830 9.446 81 HG23 THR 52 2HG2 THR 52 -6.538 7.233 7.958 82 H VAL 53 H VAL 53 -8.463 5.651 6.868 83 HA VAL 53 HA VAL 53 -10.114 3.265 7.431 84 HB VAL 53 HB VAL 53 -8.931 4.081 4.740 85 HG11 VAL 53 1HG1 VAL 53 -10.589 2.499 3.800 86 HG12 VAL 53 2HG1 VAL 53 -11.144 2.101 5.427 87 HG13 VAL 53 3HG1 VAL 53 -9.502 1.685 4.929 88 HG21 VAL 53 3HG2 VAL 53 -11.723 4.684 5.777 89 HG22 VAL 53 1HG2 VAL 53 -11.164 4.952 4.124 90 HG23 VAL 53 2HG2 VAL 53 -10.453 5.867 5.456 91 H ARG 54 H ARG 54 -8.885 1.804 8.420 92 HA ARG 54 HA ARG 54 -6.125 1.257 7.550 93 HB2 ARG 54 2HB ARG 54 -6.473 1.652 9.968 94 HB3 ARG 54 1HB ARG 54 -7.643 0.339 10.034 95 HG2 ARG 54 2HG ARG 54 -5.933 -1.313 9.643 96 HG3 ARG 54 1HG ARG 54 -4.730 -0.074 9.258 97 HD2 ARG 54 2HD ARG 54 -4.757 0.730 11.555 98 HD3 ARG 54 1HD ARG 54 -6.074 -0.369 11.966 99 HE ARG 54 HE ARG 54 -4.469 -2.223 11.508 100 HH11 ARG 54 1HH1 ARG 54 -3.172 0.929 12.375 101 HH12 ARG 54 2HH1 ARG 54 -1.765 0.258 13.136 102 HH21 ARG 54 1HH2 ARG 54 -2.645 -3.080 12.562 103 HH22 ARG 54 2HH2 ARG 54 -1.472 -2.000 13.243 104 H LEU 55 H LEU 55 -5.996 -0.223 6.019 105 HA LEU 55 HA LEU 55 -8.046 -2.360 5.762 106 HB2 LEU 55 2HB LEU 55 -8.061 -0.483 4.026 107 HB3 LEU 55 1HB LEU 55 -6.479 -1.013 3.513 108 HG LEU 55 HG LEU 55 -8.955 -2.779 3.335 109 HD11 LEU 55 1HD1 LEU 55 -9.319 -0.772 1.981 110 HD12 LEU 55 2HD1 LEU 55 -9.102 -2.193 0.963 111 HD13 LEU 55 3HD1 LEU 55 -7.783 -1.030 1.147 112 HD21 LEU 55 3HD2 LEU 55 -6.878 -4.064 3.236 113 HD22 LEU 55 1HD2 LEU 55 -6.265 -3.020 1.954 114 HD23 LEU 55 2HD2 LEU 55 -7.665 -4.055 1.663 115 H PHE 56 H PHE 56 -7.281 -4.408 5.511 116 HA PHE 56 HA PHE 56 -4.374 -4.886 5.849 117 HB2 PHE 56 2HB PHE 56 -6.716 -6.696 6.650 118 HB3 PHE 56 1HB PHE 56 -5.015 -6.966 7.015 119 HD1 PHE 56 HD2 PHE 56 -7.925 -4.754 7.744 120 HD2 PHE 56 HD1 PHE 56 -4.011 -5.974 8.965 121 HE1 PHE 56 HE2 PHE 56 -8.178 -3.488 9.832 122 HE2 PHE 56 HE1 PHE 56 -4.277 -4.704 11.050 123 HZ PHE 56 HZ PHE 56 -6.352 -3.456 11.484 124 H GLY 57 H GLY 57 -3.376 -6.186 4.297 125 HA2 GLY 57 2HA GLY 57 -4.857 -7.823 2.428 126 HA3 GLY 57 1HA GLY 57 -4.320 -6.299 1.722 127 H THR 58 H THR 58 -3.309 -8.194 0.419 128 HA THR 58 HA THR 58 -0.488 -8.373 1.284 129 HB THR 58 HB THR 58 -1.974 -10.471 -0.370 130 HG1 THR 58 HG1 THR 58 -1.760 -11.740 1.564 131 HG21 THR 58 3HG2 THR 58 0.458 -10.351 -0.871 132 HG22 THR 58 1HG2 THR 58 0.053 -11.851 -0.032 133 HG23 THR 58 2HG2 THR 58 0.820 -10.527 0.847 134 H VAL 59 H VAL 59 0.983 -7.899 -0.305 135 HA VAL 59 HA VAL 59 0.083 -6.129 -2.410 136 HB VAL 59 HB VAL 59 2.935 -6.964 -1.675 137 HG11 VAL 59 1HG1 VAL 59 3.650 -4.921 -2.861 138 HG12 VAL 59 2HG1 VAL 59 1.980 -4.575 -3.311 139 HG13 VAL 59 3HG1 VAL 59 2.785 -6.012 -3.947 140 HG21 VAL 59 3HG2 VAL 59 1.378 -4.530 -0.740 141 HG22 VAL 59 1HG2 VAL 59 3.080 -4.861 -0.399 142 HG23 VAL 59 2HG2 VAL 59 1.827 -5.920 0.253 143 H ALA 60 H ALA 60 -0.401 -6.884 -4.369 144 HA ALA 60 HA ALA 60 0.228 -9.466 -5.338 145 HB1 ALA 60 3HB ALA 60 -0.688 -8.704 -7.494 146 HB2 ALA 60 1HB ALA 60 -0.679 -7.033 -6.923 147 HB3 ALA 60 2HB ALA 60 -1.733 -8.222 -6.156 148 H ALA 61 H ALA 61 1.832 -10.186 -6.579 149 HA ALA 61 HA ALA 61 4.241 -8.640 -7.041 150 HB1 ALA 61 3HB ALA 61 5.126 -10.719 -8.043 151 HB2 ALA 61 1HB ALA 61 3.518 -11.449 -7.962 152 HB3 ALA 61 2HB ALA 61 4.376 -11.034 -6.476 153 H ASP 62 H ASP 62 1.335 -9.357 -8.732 154 HA ASP 62 HA ASP 62 2.271 -8.225 -11.288 155 HB2 ASP 62 2HB ASP 62 0.832 -10.201 -11.485 156 HB3 ASP 62 1HB ASP 62 -0.390 -9.470 -10.445 157 H GLY 63 H GLY 63 2.406 -6.030 -11.178 158 HA2 GLY 63 2HA GLY 63 1.322 -3.935 -11.462 159 HA3 GLY 63 1HA GLY 63 -0.015 -4.488 -10.461 160 H LEU 64 H LEU 64 3.510 -3.971 -10.192 161 HA LEU 64 HA LEU 64 3.088 -2.228 -7.842 162 HB2 LEU 64 2HB LEU 64 3.838 -4.621 -7.200 163 HB3 LEU 64 1HB LEU 64 5.359 -4.263 -7.992 164 HG LEU 64 HG LEU 64 4.283 -2.689 -5.602 165 HD11 LEU 64 1HD1 LEU 64 4.673 -5.022 -4.954 166 HD12 LEU 64 2HD1 LEU 64 5.815 -3.927 -4.183 167 HD13 LEU 64 3HD1 LEU 64 6.335 -4.921 -5.548 168 HD21 LEU 64 3HD2 LEU 64 7.079 -2.721 -6.805 169 HD22 LEU 64 1HD2 LEU 64 6.592 -1.870 -5.335 170 HD23 LEU 64 2HD2 LEU 64 5.918 -1.393 -6.887 171 H THR 65 H THR 65 4.009 -0.305 -8.262 172 HA THR 65 HA THR 65 6.484 -0.087 -9.800 173 HB THR 65 HB THR 65 3.948 1.436 -10.608 174 HG1 THR 65 HG1 THR 65 5.208 -0.870 -11.552 175 HG21 THR 65 3HG2 THR 65 5.300 2.348 -12.469 176 HG22 THR 65 1HG2 THR 65 6.745 1.551 -11.822 177 HG23 THR 65 2HG2 THR 65 5.964 2.848 -10.916 178 H MET 66 H MET 66 7.723 1.654 -9.199 179 HA MET 66 HA MET 66 7.040 2.939 -6.663 180 HB2 MET 66 2HB MET 66 9.588 3.244 -8.320 181 HB3 MET 66 1HB MET 66 9.377 3.655 -6.617 182 HG2 MET 66 2HG MET 66 9.327 0.872 -7.811 183 HG3 MET 66 1HG MET 66 10.640 1.584 -6.874 184 HE1 MET 66 3HE MET 66 9.024 1.864 -3.311 185 HE2 MET 66 1HE MET 66 8.968 3.120 -4.548 186 HE3 MET 66 2HE MET 66 10.445 2.191 -4.302 187 H LEU 67 H LEU 67 7.164 5.312 -6.393 188 HA LEU 67 HA LEU 67 5.767 6.681 -8.503 189 HB2 LEU 67 2HB LEU 67 6.862 7.769 -5.880 190 HB3 LEU 67 1HB LEU 67 5.795 8.645 -6.968 191 HG LEU 67 HG LEU 67 5.116 6.159 -5.355 192 HD11 LEU 67 1HD1 LEU 67 3.429 7.582 -4.277 193 HD12 LEU 67 2HD1 LEU 67 3.987 8.969 -5.218 194 HD13 LEU 67 3HD1 LEU 67 5.062 8.207 -4.040 195 HD21 LEU 67 3HD2 LEU 67 3.390 7.543 -7.423 196 HD22 LEU 67 1HD2 LEU 67 2.861 6.265 -6.327 197 HD23 LEU 67 2HD2 LEU 67 4.088 5.925 -7.540 198 H ASP 68 H ASP 68 6.435 8.323 -9.839 199 HA ASP 68 HA ASP 68 9.097 8.094 -10.831 200 HB2 ASP 68 2HB ASP 68 6.892 10.057 -11.577 201 HB3 ASP 68 1HB ASP 68 8.369 9.801 -12.504 202 H GLY 69 H GLY 69 10.805 9.019 -9.907 203 HA2 GLY 69 2HA GLY 69 12.258 10.554 -9.041 204 HA3 GLY 69 1HA GLY 69 11.243 11.792 -9.761 205 H ALA 70 H ALA 70 10.165 9.508 -7.290 206 HA ALA 70 HA ALA 70 10.217 11.487 -5.151 207 HB1 ALA 70 3HB ALA 70 7.768 11.432 -4.797 208 HB2 ALA 70 1HB ALA 70 7.576 10.429 -6.243 209 HB3 ALA 70 2HB ALA 70 8.166 12.085 -6.387 210 HA PRO 71 HA PRO 71 10.538 7.569 -2.797 211 HB2 PRO 71 2HB PRO 71 10.132 8.618 -0.271 212 HB3 PRO 71 1HB PRO 71 11.675 8.712 -1.132 213 HG2 PRO 71 2HG PRO 71 9.513 10.796 -0.880 214 HG3 PRO 71 1HG PRO 71 11.275 10.991 -0.759 215 HD2 PRO 71 2HD PRO 71 9.920 11.637 -3.010 216 HD3 PRO 71 1HD PRO 71 11.570 10.984 -3.074 217 H GLY 72 H GLY 72 8.829 6.250 -3.109 218 HA2 GLY 72 2HA GLY 72 6.635 5.919 -1.553 219 HA3 GLY 72 1HA GLY 72 6.074 7.056 -2.780 220 H VAL 73 H VAL 73 4.677 4.902 -2.886 221 HA VAL 73 HA VAL 73 5.508 3.484 -5.269 222 HB VAL 73 HB VAL 73 6.633 2.123 -3.530 223 HG11 VAL 73 1HG1 VAL 73 5.360 0.831 -1.850 224 HG12 VAL 73 2HG1 VAL 73 3.881 1.667 -2.328 225 HG13 VAL 73 3HG1 VAL 73 5.205 2.572 -1.594 226 HG21 VAL 73 3HG2 VAL 73 5.757 -0.085 -4.187 227 HG22 VAL 73 1HG2 VAL 73 5.798 1.009 -5.572 228 HG23 VAL 73 2HG2 VAL 73 4.266 0.661 -4.766 229 H ARG 74 H ARG 74 3.771 2.961 -6.469 230 HA ARG 74 HA ARG 74 1.093 2.768 -5.235 231 HB2 ARG 74 2HB ARG 74 1.395 4.332 -7.211 232 HB3 ARG 74 1HB ARG 74 1.837 2.937 -8.189 233 HG2 ARG 74 2HG ARG 74 -0.432 1.959 -7.713 234 HG3 ARG 74 1HG ARG 74 -0.856 3.462 -6.886 235 HD2 ARG 74 2HD ARG 74 -0.132 3.133 -9.824 236 HD3 ARG 74 1HD ARG 74 -1.720 3.530 -9.162 237 HE ARG 74 HE ARG 74 0.610 5.339 -8.854 238 HH11 ARG 74 1HH1 ARG 74 -2.741 4.891 -9.776 239 HH12 ARG 74 2HH1 ARG 74 -2.973 6.565 -10.144 240 HH21 ARG 74 1HH2 ARG 74 0.251 7.559 -9.303 241 HH22 ARG 74 2HH2 ARG 74 -1.310 8.058 -9.876 242 H PHE 75 H PHE 75 0.107 0.781 -5.216 243 HA PHE 75 HA PHE 75 1.252 -1.474 -6.687 244 HB2 PHE 75 2HB PHE 75 1.534 -2.871 -4.650 245 HB3 PHE 75 1HB PHE 75 2.630 -1.502 -4.676 246 HD1 PHE 75 HD2 PHE 75 2.087 0.526 -3.197 247 HD2 PHE 75 HD1 PHE 75 0.066 -3.221 -2.771 248 HE1 PHE 75 HE2 PHE 75 1.412 1.146 -0.916 249 HE2 PHE 75 HE1 PHE 75 -0.604 -2.593 -0.487 250 HZ PHE 75 HZ PHE 75 0.072 -0.414 0.440 251 H ARG 76 H ARG 76 -0.040 -3.386 -6.601 252 HA ARG 76 HA ARG 76 -2.900 -2.758 -6.551 253 HB2 ARG 76 2HB ARG 76 -1.868 -3.658 -8.640 254 HB3 ARG 76 1HB ARG 76 -1.370 -5.102 -7.767 255 HG2 ARG 76 2HG ARG 76 -3.735 -5.707 -7.415 256 HG3 ARG 76 1HG ARG 76 -4.241 -4.243 -8.269 257 HD2 ARG 76 2HD ARG 76 -3.240 -5.034 -10.329 258 HD3 ARG 76 1HD ARG 76 -2.523 -6.421 -9.505 259 HE ARG 76 HE ARG 76 -5.447 -6.051 -9.795 260 HH11 ARG 76 1HH1 ARG 76 -2.612 -8.130 -9.952 261 HH12 ARG 76 2HH1 ARG 76 -3.526 -9.543 -10.367 262 HH21 ARG 76 1HH2 ARG 76 -6.619 -7.903 -10.377 263 HH22 ARG 76 2HH2 ARG 76 -5.793 -9.407 -10.625 264 H LEU 77 H LEU 77 -3.326 -2.908 -4.400 265 HA LEU 77 HA LEU 77 -2.427 -5.094 -2.751 266 HB2 LEU 77 2HB LEU 77 -2.769 -2.751 -1.904 267 HB3 LEU 77 1HB LEU 77 -4.500 -2.948 -2.137 268 HG LEU 77 HG LEU 77 -4.522 -4.802 -0.476 269 HD11 LEU 77 1HD1 LEU 77 -2.549 -5.244 0.909 270 HD12 LEU 77 2HD1 LEU 77 -1.584 -4.159 -0.094 271 HD13 LEU 77 3HD1 LEU 77 -2.255 -5.641 -0.781 272 HD21 LEU 77 3HD2 LEU 77 -4.165 -3.459 1.534 273 HD22 LEU 77 1HD2 LEU 77 -4.979 -2.515 0.289 274 HD23 LEU 77 2HD2 LEU 77 -3.258 -2.262 0.605 275 H GLU 78 H GLU 78 -3.333 -6.976 -2.752 276 HA GLU 78 HA GLU 78 -6.146 -7.439 -3.478 277 HB2 GLU 78 2HB GLU 78 -3.921 -9.434 -2.835 278 HB3 GLU 78 1HB GLU 78 -5.560 -9.851 -3.352 279 HG2 GLU 78 2HG GLU 78 -5.112 -8.506 -5.470 280 HG3 GLU 78 1HG GLU 78 -3.425 -8.416 -4.958 281 H ASP 79 H ASP 79 -7.463 -6.975 -1.862 282 HA ASP 79 HA ASP 79 -6.830 -6.647 0.849 283 HB2 ASP 79 2HB ASP 79 -8.773 -5.647 -0.498 284 HB3 ASP 79 1HB ASP 79 -9.612 -7.173 -0.297 285 H LYS 80 H LYS 80 -7.132 -7.890 2.662 286 HA LYS 80 HA LYS 80 -7.096 -10.760 2.439 287 HB2 LYS 80 2HB LYS 80 -6.834 -8.761 4.683 288 HB3 LYS 80 1HB LYS 80 -7.160 -10.442 5.100 289 HG2 LYS 80 2HG LYS 80 -5.119 -11.178 4.081 290 HG3 LYS 80 1HG LYS 80 -4.824 -9.590 3.365 291 HD2 LYS 80 2HD LYS 80 -4.274 -8.614 5.458 292 HD3 LYS 80 1HD LYS 80 -5.000 -9.938 6.377 293 HE2 LYS 80 2HE LYS 80 -2.476 -9.923 6.347 294 HE3 LYS 80 1HE LYS 80 -3.214 -11.431 5.808 295 HZ1 LYS 80 3HZ LYS 80 -2.014 -9.320 4.105 296 HZ2 LYS 80 1HZ LYS 80 -2.866 -10.650 3.499 297 HZ3 LYS 80 2HZ LYS 80 -1.441 -10.889 4.363 298 H ASP 81 H ASP 81 -9.541 -8.381 2.904 299 HA ASP 81 HA ASP 81 -11.589 -9.957 4.080 300 HB2 ASP 81 2HB ASP 81 -11.696 -7.490 3.918 301 HB3 ASP 81 1HB ASP 81 -11.736 -7.587 2.161 302 H ASN 82 H ASN 82 -10.953 -9.084 0.672 303 HA ASN 82 HA ASN 82 -11.617 -11.765 -0.258 304 HB2 ASN 82 2HB ASN 82 -13.216 -9.306 -1.070 305 HB3 ASN 82 1HB ASN 82 -13.016 -10.643 -2.193 306 HD21 ASN 82 1HD2 ASN 82 -14.495 -9.641 0.814 307 HD22 ASN 82 2HD2 ASN 82 -15.571 -10.980 0.952 308 H THR 83 H THR 83 -10.306 -12.358 -1.898 309 HA THR 83 HA THR 83 -8.106 -10.740 -2.699 310 HB THR 83 HB THR 83 -7.851 -13.166 -2.591 311 HG1 THR 83 HG1 THR 83 -6.780 -11.772 -4.369 312 HG21 THR 83 3HG2 THR 83 -9.787 -13.360 -4.926 313 HG22 THR 83 1HG2 THR 83 -10.113 -13.892 -3.274 314 HG23 THR 83 2HG2 THR 83 -8.871 -14.700 -4.234 315 H SER 84 H SER 84 -11.269 -11.287 -4.059 316 HA SER 84 HA SER 84 -10.946 -10.297 -6.671 317 HB2 SER 84 2HB SER 84 -12.989 -11.474 -5.827 318 HB3 SER 84 1HB SER 84 -13.414 -10.041 -4.895 319 HG SER 84 HG SER 84 -13.758 -10.567 -7.549 320 H LYS 85 H LYS 85 -11.245 -8.633 -3.593 321 HA LYS 85 HA LYS 85 -11.581 -5.975 -4.620 322 HB2 LYS 85 2HB LYS 85 -10.559 -6.921 -1.914 323 HB3 LYS 85 1HB LYS 85 -11.023 -5.267 -2.300 324 HG2 LYS 85 2HG LYS 85 -12.917 -7.639 -2.377 325 HG3 LYS 85 1HG LYS 85 -12.713 -6.579 -0.977 326 HD2 LYS 85 2HD LYS 85 -13.649 -5.694 -3.737 327 HD3 LYS 85 1HD LYS 85 -14.701 -5.986 -2.351 328 HE2 LYS 85 2HE LYS 85 -13.467 -4.176 -1.115 329 HE3 LYS 85 1HE LYS 85 -12.566 -3.836 -2.597 330 HZ1 LYS 85 3HZ LYS 85 -15.506 -3.634 -2.238 331 HZ2 LYS 85 1HZ LYS 85 -14.683 -3.361 -3.690 332 HZ3 LYS 85 2HZ LYS 85 -14.419 -2.344 -2.365 333 H THR 86 H THR 86 -9.904 -6.107 -6.270 334 HA THR 86 HA THR 86 -7.124 -5.787 -5.353 335 HB THR 86 HB THR 86 -6.682 -5.642 -7.897 336 HG1 THR 86 HG1 THR 86 -9.308 -6.743 -8.091 337 HG21 THR 86 3HG2 THR 86 -6.847 -8.078 -8.241 338 HG22 THR 86 1HG2 THR 86 -7.936 -8.221 -6.861 339 HG23 THR 86 2HG2 THR 86 -6.257 -7.724 -6.617 340 H VAL 87 H VAL 87 -6.986 -3.864 -4.447 341 HA VAL 87 HA VAL 87 -8.057 -1.429 -5.739 342 HB VAL 87 HB VAL 87 -7.167 -1.839 -2.835 343 HG11 VAL 87 1HG1 VAL 87 -8.649 0.508 -4.097 344 HG12 VAL 87 2HG1 VAL 87 -6.972 0.508 -3.548 345 HG13 VAL 87 3HG1 VAL 87 -8.277 0.328 -2.377 346 HG21 VAL 87 3HG2 VAL 87 -9.165 -3.209 -3.287 347 HG22 VAL 87 1HG2 VAL 87 -10.014 -1.797 -3.927 348 HG23 VAL 87 2HG2 VAL 87 -9.567 -1.864 -2.220 349 H TRP 88 H TRP 88 -6.588 0.147 -6.355 350 HA TRP 88 HA TRP 88 -3.730 -0.408 -6.115 351 HB2 TRP 88 2HB TRP 88 -5.270 1.762 -7.607 352 HB3 TRP 88 1HB TRP 88 -3.513 1.614 -7.599 353 HD1 TRP 88 HD1 TRP 88 -6.636 0.011 -9.115 354 HE1 TRP 88 HE1 TRP 88 -5.909 -1.604 -10.974 355 HE3 TRP 88 HE3 TRP 88 -1.592 0.049 -8.284 356 HZ2 TRP 88 HZ2 TRP 88 -3.516 -2.730 -11.960 357 HZ3 TRP 88 HZ3 TRP 88 -0.153 -1.334 -9.728 358 HH2 TRP 88 HH2 TRP 88 -1.097 -2.692 -11.529 359 H VAL 89 H VAL 89 -2.477 0.656 -4.685 360 HA VAL 89 HA VAL 89 -3.722 2.713 -2.958 361 HB VAL 89 HB VAL 89 -1.582 0.663 -2.211 362 HG11 VAL 89 1HG1 VAL 89 -3.056 2.686 -0.473 363 HG12 VAL 89 2HG1 VAL 89 -1.355 2.756 -0.937 364 HG13 VAL 89 3HG1 VAL 89 -1.926 1.459 0.113 365 HG21 VAL 89 3HG2 VAL 89 -4.532 0.712 -1.451 366 HG22 VAL 89 1HG2 VAL 89 -3.330 -0.433 -0.844 367 HG23 VAL 89 2HG2 VAL 89 -3.767 -0.436 -2.554 368 H LEU 90 H LEU 90 -2.901 4.608 -3.353 369 HA LEU 90 HA LEU 90 -0.215 4.992 -4.470 370 HB2 LEU 90 2HB LEU 90 -2.258 6.209 -5.385 371 HB3 LEU 90 1HB LEU 90 -2.362 7.069 -3.861 372 HG LEU 90 HG LEU 90 -0.101 8.060 -4.290 373 HD11 LEU 90 1HD1 LEU 90 0.858 6.336 -5.710 374 HD12 LEU 90 2HD1 LEU 90 0.902 7.892 -6.533 375 HD13 LEU 90 3HD1 LEU 90 -0.309 6.690 -6.988 376 HD21 LEU 90 3HD2 LEU 90 -2.148 8.574 -6.472 377 HD22 LEU 90 1HD2 LEU 90 -0.811 9.644 -6.037 378 HD23 LEU 90 2HD2 LEU 90 -2.100 9.333 -4.876 379 H TYR 91 H TYR 91 1.109 4.570 -2.805 380 HA TYR 91 HA TYR 91 0.809 5.842 -0.177 381 HB2 TYR 91 2HB TYR 91 1.411 3.509 -0.039 382 HB3 TYR 91 1HB TYR 91 2.715 3.699 -1.206 383 HD1 TYR 91 HD1 TYR 91 1.700 5.175 2.127 384 HD2 TYR 91 HD2 TYR 91 4.897 3.731 -0.316 385 HE1 TYR 91 HE1 TYR 91 3.293 5.579 3.957 386 HE2 TYR 91 HE2 TYR 91 6.478 4.126 1.514 387 HH TYR 91 HH TYR 91 6.712 5.394 3.506 388 H LYS 92 H LYS 92 1.525 7.875 -0.093 389 HA LYS 92 HA LYS 92 4.063 8.718 -1.299 390 HB2 LYS 92 2HB LYS 92 1.788 10.116 0.133 391 HB3 LYS 92 1HB LYS 92 3.369 10.872 0.176 392 HG2 LYS 92 2HG LYS 92 1.932 11.786 -1.606 393 HG3 LYS 92 1HG LYS 92 3.418 11.079 -2.241 394 HD2 LYS 92 2HD LYS 92 2.187 9.075 -2.946 395 HD3 LYS 92 1HD LYS 92 0.693 9.719 -2.250 396 HE2 LYS 92 2HE LYS 92 0.858 10.013 -4.732 397 HE3 LYS 92 1HE LYS 92 0.655 11.530 -3.862 398 HZ1 LYS 92 3HZ LYS 92 2.333 11.627 -5.641 399 HZ2 LYS 92 1HZ LYS 92 3.260 10.479 -4.818 400 HZ3 LYS 92 2HZ LYS 92 2.979 11.994 -4.121 401 H GLY 93 H GLY 93 5.921 8.399 -0.224 402 HA2 GLY 93 2HA GLY 93 6.858 9.206 2.090 403 HA3 GLY 93 1HA GLY 93 5.899 7.857 2.687 404 H ALA 94 H ALA 94 8.518 7.813 3.241 405 HA ALA 94 HA ALA 94 10.208 6.531 1.366 406 HB1 ALA 94 3HB ALA 94 10.343 6.576 4.402 407 HB2 ALA 94 1HB ALA 94 11.068 7.754 3.306 408 HB3 ALA 94 2HB ALA 94 11.658 6.092 3.325 409 H VAL 95 H VAL 95 10.092 4.520 0.650 410 HA VAL 95 HA VAL 95 8.249 2.559 1.727 411 HB VAL 95 HB VAL 95 10.121 2.416 -0.683 412 HG11 VAL 95 1HG1 VAL 95 7.772 0.614 0.026 413 HG12 VAL 95 2HG1 VAL 95 9.476 0.160 0.062 414 HG13 VAL 95 3HG1 VAL 95 8.703 0.550 -1.474 415 HG21 VAL 95 3HG2 VAL 95 8.106 2.951 -2.028 416 HG22 VAL 95 1HG2 VAL 95 8.502 4.249 -0.897 417 HG23 VAL 95 2HG2 VAL 95 7.171 3.147 -0.545 418 HA PRO 96 HA PRO 96 11.601 0.615 4.124 419 HB2 PRO 96 2HB PRO 96 10.170 -1.348 5.324 420 HB3 PRO 96 1HB PRO 96 9.971 0.350 5.780 421 HG2 PRO 96 2HG PRO 96 8.261 -1.333 3.939 422 HG3 PRO 96 1HG PRO 96 7.750 -0.227 5.233 423 HD2 PRO 96 2HD PRO 96 7.770 0.490 2.588 424 HD3 PRO 96 1HD PRO 96 8.021 1.662 3.904 425 H ASP 97 H ASP 97 12.870 -1.321 4.071 426 HA ASP 97 HA ASP 97 13.083 -2.655 1.568 427 HB2 ASP 97 2HB ASP 97 14.395 -3.316 4.244 428 HB3 ASP 97 1HB ASP 97 14.816 -4.101 2.725 429 H THR 98 H THR 98 11.305 -3.407 4.416 430 HA THR 98 HA THR 98 10.924 -6.209 3.960 431 HB THR 98 HB THR 98 10.717 -5.402 6.226 432 HG1 THR 98 HG1 THR 98 8.091 -5.921 6.125 433 HG21 THR 98 3HG2 THR 98 9.972 -3.086 5.811 434 HG22 THR 98 1HG2 THR 98 8.920 -3.892 6.984 435 HG23 THR 98 2HG2 THR 98 8.388 -3.682 5.317 436 H PHE 99 H PHE 99 9.358 -3.282 2.820 437 HA PHE 99 HA PHE 99 7.006 -4.550 1.741 438 HB2 PHE 99 2HB PHE 99 7.008 -2.113 2.177 439 HB3 PHE 99 1HB PHE 99 8.286 -1.878 0.990 440 HD1 PHE 99 HD1 PHE 99 4.700 -2.690 1.437 441 HD2 PHE 99 HD2 PHE 99 7.789 -1.902 -1.411 442 HE1 PHE 99 HE1 PHE 99 3.021 -2.458 -0.337 443 HE2 PHE 99 HE2 PHE 99 6.100 -1.675 -3.178 444 HZ PHE 99 HZ PHE 99 3.718 -1.953 -2.639 445 H LYS 100 H LYS 100 7.231 -6.076 0.279 446 HA LYS 100 HA LYS 100 8.814 -5.671 -2.152 447 HB2 LYS 100 2HB LYS 100 9.741 -7.963 -2.007 448 HB3 LYS 100 1HB LYS 100 10.265 -6.971 -0.651 449 HG2 LYS 100 2HG LYS 100 8.576 -8.069 0.796 450 HG3 LYS 100 1HG LYS 100 8.077 -9.078 -0.567 451 HD2 LYS 100 2HD LYS 100 10.412 -10.008 -0.658 452 HD3 LYS 100 1HD LYS 100 10.809 -9.061 0.781 453 HE2 LYS 100 2HE LYS 100 9.115 -10.303 2.069 454 HE3 LYS 100 1HE LYS 100 8.679 -11.225 0.630 455 HZ1 LYS 100 3HZ LYS 100 10.925 -12.102 0.563 456 HZ2 LYS 100 1HZ LYS 100 10.178 -12.461 2.035 457 HZ3 LYS 100 2HZ LYS 100 11.329 -11.227 1.948 458 HA PRO 101 HA PRO 101 5.185 -7.378 -4.220 459 HB2 PRO 101 2HB PRO 101 6.295 -8.943 -6.221 460 HB3 PRO 101 1HB PRO 101 6.215 -7.177 -6.290 461 HG2 PRO 101 2HG PRO 101 8.512 -8.942 -5.450 462 HG3 PRO 101 1HG PRO 101 8.529 -7.520 -6.519 463 HD2 PRO 101 2HD PRO 101 9.296 -7.315 -3.947 464 HD3 PRO 101 1HD PRO 101 8.378 -6.007 -4.729 465 H GLY 102 H GLY 102 4.178 -8.661 -2.722 466 HA2 GLY 102 2HA GLY 102 3.365 -11.011 -2.588 467 HA3 GLY 102 1HA GLY 102 5.049 -11.502 -2.445 468 H VAL 103 H VAL 103 5.157 -8.799 -0.699 469 HA VAL 103 HA VAL 103 4.930 -10.123 1.842 470 HB VAL 103 HB VAL 103 6.555 -8.185 1.304 471 HG11 VAL 103 1HG1 VAL 103 4.963 -6.575 0.360 472 HG12 VAL 103 2HG1 VAL 103 5.782 -5.885 1.759 473 HG13 VAL 103 3HG1 VAL 103 4.126 -6.467 1.913 474 HG21 VAL 103 3HG2 VAL 103 6.337 -9.111 3.569 475 HG22 VAL 103 1HG2 VAL 103 4.954 -8.057 3.888 476 HG23 VAL 103 2HG2 VAL 103 6.560 -7.362 3.649 477 H GLU 104 H GLU 104 3.349 -9.846 3.444 478 HA GLU 104 HA GLU 104 0.748 -8.799 2.688 479 HB2 GLU 104 2HB GLU 104 1.722 -9.792 5.406 480 HB3 GLU 104 1HB GLU 104 0.048 -9.586 4.896 481 HG2 GLU 104 2HG GLU 104 0.363 -11.380 3.209 482 HG3 GLU 104 1HG GLU 104 2.016 -11.607 3.776 483 H VAL 105 H VAL 105 -0.036 -6.749 3.288 484 HA VAL 105 HA VAL 105 1.583 -5.110 5.157 485 HB VAL 105 HB VAL 105 1.038 -3.054 3.849 486 HG11 VAL 105 1HG1 VAL 105 2.656 -5.094 2.304 487 HG12 VAL 105 2HG1 VAL 105 3.238 -4.030 3.588 488 HG13 VAL 105 3HG1 VAL 105 2.698 -3.344 2.059 489 HG21 VAL 105 3HG2 VAL 105 0.267 -3.196 1.507 490 HG22 VAL 105 1HG2 VAL 105 -0.946 -3.829 2.624 491 HG23 VAL 105 2HG2 VAL 105 0.047 -4.940 1.677 492 H ILE 106 H ILE 106 0.449 -3.200 5.852 493 HA ILE 106 HA ILE 106 -2.474 -3.334 6.181 494 HB ILE 106 HB ILE 106 -0.481 -2.755 8.445 495 HG12 ILE 106 2HG1 ILE 106 -2.340 -5.166 8.179 496 HG13 ILE 106 1HG1 ILE 106 -0.608 -5.197 7.881 497 HG21 ILE 106 1HG2 ILE 106 -2.461 -2.594 9.919 498 HG22 ILE 106 2HG2 ILE 106 -3.520 -2.847 8.532 499 HG23 ILE 106 3HG2 ILE 106 -2.523 -1.392 8.626 500 HD11 ILE 106 3HD1 ILE 106 -1.926 -4.623 10.531 501 HD12 ILE 106 1HD1 ILE 106 -0.188 -4.650 10.221 502 HD13 ILE 106 2HD1 ILE 106 -1.136 -6.124 10.043 503 H ILE 107 H ILE 107 -2.997 -1.519 5.087 504 HA ILE 107 HA ILE 107 -1.259 0.871 5.077 505 HB ILE 107 HB ILE 107 -2.623 1.637 3.151 506 HG12 ILE 107 2HG1 ILE 107 -4.186 -0.977 3.446 507 HG13 ILE 107 1HG1 ILE 107 -4.804 0.616 3.852 508 HG21 ILE 107 1HG2 ILE 107 -1.667 -1.229 2.793 509 HG22 ILE 107 2HG2 ILE 107 -0.671 0.222 2.674 510 HG23 ILE 107 3HG2 ILE 107 -1.943 -0.068 1.490 511 HD11 ILE 107 3HD1 ILE 107 -5.677 -0.155 1.742 512 HD12 ILE 107 1HD1 ILE 107 -4.045 -0.331 1.097 513 HD13 ILE 107 2HD1 ILE 107 -4.664 1.266 1.504 514 H GLU 108 H GLU 108 -2.086 2.912 5.641 515 HA GLU 108 HA GLU 108 -4.797 3.116 6.778 516 HB2 GLU 108 2HB GLU 108 -2.312 4.339 8.061 517 HB3 GLU 108 1HB GLU 108 -3.965 4.454 8.656 518 HG2 GLU 108 2HG GLU 108 -3.961 2.013 9.073 519 HG3 GLU 108 1HG GLU 108 -2.292 1.931 8.512 520 H GLY 109 H GLY 109 -5.819 5.006 6.226 521 HA2 GLY 109 2HA GLY 109 -4.832 7.514 5.755 522 HA3 GLY 109 1HA GLY 109 -4.668 6.704 4.199 523 H GLY 110 H GLY 110 -6.323 7.146 2.865 524 HA2 GLY 110 2HA GLY 110 -9.043 6.639 3.579 525 HA3 GLY 110 1HA GLY 110 -8.725 8.369 3.483 526 H LEU 111 H LEU 111 -10.545 7.280 1.853 527 HA LEU 111 HA LEU 111 -9.281 7.337 -0.833 528 HB2 LEU 111 2HB LEU 111 -10.381 5.149 -0.188 529 HB3 LEU 111 1HB LEU 111 -11.904 6.004 -0.011 530 HG LEU 111 HG LEU 111 -11.779 6.598 -2.468 531 HD11 LEU 111 1HD1 LEU 111 -10.231 5.377 -3.924 532 HD12 LEU 111 2HD1 LEU 111 -9.434 4.675 -2.514 533 HD13 LEU 111 3HD1 LEU 111 -9.368 6.417 -2.790 534 HD21 LEU 111 3HD2 LEU 111 -13.165 4.712 -1.698 535 HD22 LEU 111 1HD2 LEU 111 -11.787 3.619 -1.851 536 HD23 LEU 111 2HD2 LEU 111 -12.473 4.387 -3.285 537 H ALA 112 H ALA 112 -9.474 9.443 -1.391 538 HA ALA 112 HA ALA 112 -11.719 11.087 -0.552 539 HB1 ALA 112 3HB ALA 112 -9.448 12.037 -0.545 540 HB2 ALA 112 1HB ALA 112 -10.503 12.937 -1.640 541 HB3 ALA 112 2HB ALA 112 -9.324 11.793 -2.288 542 HA PRO 113 HA PRO 113 -14.299 10.398 -4.314 543 HB2 PRO 113 2HB PRO 113 -15.113 13.205 -3.494 544 HB3 PRO 113 1HB PRO 113 -16.131 11.844 -4.002 545 HG2 PRO 113 2HG PRO 113 -15.945 12.431 -1.420 546 HG3 PRO 113 1HG PRO 113 -15.903 10.734 -1.944 547 HD2 PRO 113 2HD PRO 113 -13.635 12.501 -1.052 548 HD3 PRO 113 1HD PRO 113 -13.914 10.772 -0.735 549 H GLY 114 H GLY 114 -12.806 10.423 -5.920 550 HA2 GLY 114 2HA GLY 114 -12.391 12.126 -7.890 551 HA3 GLY 114 1HA GLY 114 -11.335 12.853 -6.671 552 H GLU 115 H GLU 115 -10.183 10.890 -5.392 553 HA GLU 115 HA GLU 115 -8.508 9.496 -7.313 554 HB2 GLU 115 2HB GLU 115 -8.431 9.678 -4.263 555 HB3 GLU 115 1HB GLU 115 -7.343 8.649 -5.183 556 HG2 GLU 115 2HG GLU 115 -6.101 10.585 -4.710 557 HG3 GLU 115 1HG GLU 115 -6.566 10.740 -6.403 558 H ASP 116 H ASP 116 -9.178 7.619 -8.138 559 HA ASP 116 HA ASP 116 -10.890 5.710 -6.830 560 HB2 ASP 116 2HB ASP 116 -10.747 5.827 -9.302 561 HB3 ASP 116 1HB ASP 116 -9.038 5.403 -9.245 562 H THR 117 H THR 117 -7.571 6.441 -6.822 563 HA THR 117 HA THR 117 -6.623 3.868 -5.762 564 HB THR 117 HB THR 117 -5.182 4.996 -7.413 565 HG1 THR 117 HG1 THR 117 -4.250 3.735 -5.665 566 HG21 THR 117 3HG2 THR 117 -4.863 7.213 -5.358 567 HG22 THR 117 1HG2 THR 117 -5.703 7.360 -6.906 568 HG23 THR 117 2HG2 THR 117 -3.962 7.071 -6.866 569 H PHE 118 H PHE 118 -5.929 3.581 -3.667 570 HA PHE 118 HA PHE 118 -7.152 5.206 -1.645 571 HB2 PHE 118 2HB PHE 118 -7.042 2.708 -1.482 572 HB3 PHE 118 1HB PHE 118 -5.290 2.802 -1.325 573 HD1 PHE 118 HD1 PHE 118 -4.263 3.698 0.773 574 HD2 PHE 118 HD2 PHE 118 -8.502 3.287 0.374 575 HE1 PHE 118 HE1 PHE 118 -4.521 3.946 3.208 576 HE2 PHE 118 HE2 PHE 118 -8.741 3.529 2.798 577 HZ PHE 118 HZ PHE 118 -6.760 3.857 4.218 578 H LYS 119 H LYS 119 -6.217 6.972 -0.840 579 HA LYS 119 HA LYS 119 -3.446 7.691 -1.171 580 HB2 LYS 119 2HB LYS 119 -5.568 9.014 0.582 581 HB3 LYS 119 1HB LYS 119 -4.132 9.775 -0.105 582 HG2 LYS 119 2HG LYS 119 -5.071 9.789 -2.304 583 HG3 LYS 119 1HG LYS 119 -6.334 8.641 -1.856 584 HD2 LYS 119 2HD LYS 119 -7.324 10.835 -2.065 585 HD3 LYS 119 1HD LYS 119 -7.340 10.373 -0.363 586 HE2 LYS 119 2HE LYS 119 -6.711 12.715 -0.576 587 HE3 LYS 119 1HE LYS 119 -5.318 11.794 -0.001 588 HZ1 LYS 119 3HZ LYS 119 -4.444 11.787 -2.247 589 HZ2 LYS 119 1HZ LYS 119 -4.714 13.376 -1.726 590 HZ3 LYS 119 2HZ LYS 119 -5.789 12.644 -2.810 591 H ALA 120 H ALA 120 -2.108 6.294 0.025 592 HA ALA 120 HA ALA 120 -2.726 5.618 2.805 593 HB1 ALA 120 3HB ALA 120 -0.402 4.750 1.052 594 HB2 ALA 120 1HB ALA 120 -1.889 3.847 1.326 595 HB3 ALA 120 2HB ALA 120 -0.771 4.125 2.664 596 H ARG 121 H ARG 121 -2.197 7.037 4.320 597 HA ARG 121 HA ARG 121 -0.039 8.954 4.104 598 HB2 ARG 121 2HB ARG 121 -0.700 9.636 6.408 599 HB3 ARG 121 1HB ARG 121 -2.068 9.611 5.304 600 HG2 ARG 121 2HG ARG 121 -2.868 7.519 6.248 601 HG3 ARG 121 1HG ARG 121 -1.435 7.385 7.266 602 HD2 ARG 121 2HD ARG 121 -3.500 9.608 7.474 603 HD3 ARG 121 1HD ARG 121 -3.465 8.162 8.494 604 HE ARG 121 HE ARG 121 -1.008 9.683 8.476 605 HH11 ARG 121 1HH1 ARG 121 -4.106 9.302 10.086 606 HH12 ARG 121 2HH1 ARG 121 -3.549 10.024 11.560 607 HH21 ARG 121 1HH2 ARG 121 -0.295 10.597 10.414 608 HH22 ARG 121 2HH2 ARG 121 -1.393 10.766 11.748 609 H THR 122 H THR 122 -0.555 5.828 5.664 610 HA THR 122 HA THR 122 2.287 5.673 6.400 611 HB THR 122 HB THR 122 1.523 4.477 8.590 612 HG1 THR 122 HG1 THR 122 -0.531 4.949 9.308 613 HG21 THR 122 3HG2 THR 122 2.612 6.698 8.659 614 HG22 THR 122 1HG2 THR 122 1.336 6.586 9.875 615 HG23 THR 122 2HG2 THR 122 1.054 7.479 8.378 616 H LEU 123 H LEU 123 3.118 3.564 6.407 617 HA LEU 123 HA LEU 123 1.456 1.370 5.327 618 HB2 LEU 123 2HB LEU 123 2.515 2.479 3.396 619 HB3 LEU 123 1HB LEU 123 4.085 2.382 4.171 620 HG LEU 123 HG LEU 123 3.911 -0.154 4.017 621 HD11 LEU 123 1HD1 LEU 123 2.330 -1.127 2.427 622 HD12 LEU 123 2HD1 LEU 123 1.555 0.446 2.216 623 HD13 LEU 123 3HD1 LEU 123 1.497 -0.370 3.782 624 HD21 LEU 123 3HD2 LEU 123 5.298 1.134 2.462 625 HD22 LEU 123 1HD2 LEU 123 3.915 1.367 1.388 626 HD23 LEU 123 2HD2 LEU 123 4.568 -0.250 1.656 627 H MET 124 H MET 124 1.664 -0.160 6.811 628 HA MET 124 HA MET 124 4.337 -0.854 7.889 629 HB2 MET 124 2HB MET 124 2.920 0.066 9.701 630 HB3 MET 124 1HB MET 124 1.629 -1.057 9.296 631 HG2 MET 124 2HG MET 124 3.162 -2.953 9.911 632 HG3 MET 124 1HG MET 124 4.354 -1.760 10.433 633 HE1 MET 124 3HE MET 124 0.400 -1.584 10.874 634 HE2 MET 124 1HE MET 124 0.234 -2.328 12.462 635 HE3 MET 124 2HE MET 124 0.779 -3.294 11.092 636 H THR 125 H THR 125 4.964 -2.748 7.088 637 HA THR 125 HA THR 125 3.220 -4.609 5.787 638 HB THR 125 HB THR 125 5.309 -6.050 5.680 639 HG1 THR 125 HG1 THR 125 6.197 -5.205 7.698 640 HG21 THR 125 3HG2 THR 125 6.671 -4.490 4.264 641 HG22 THR 125 1HG2 THR 125 5.662 -3.148 4.813 642 HG23 THR 125 2HG2 THR 125 4.959 -4.454 3.858 643 H LYS 126 H LYS 126 2.540 -6.659 6.557 644 HA LYS 126 HA LYS 126 2.135 -7.017 9.351 645 HB2 LYS 126 2HB LYS 126 0.567 -7.888 7.650 646 HB3 LYS 126 1HB LYS 126 1.813 -8.954 7.028 647 HG2 LYS 126 2HG LYS 126 0.363 -10.329 8.289 648 HG3 LYS 126 1HG LYS 126 1.800 -10.135 9.286 649 HD2 LYS 126 2HD LYS 126 -0.678 -8.415 9.685 650 HD3 LYS 126 1HD LYS 126 -0.522 -9.997 10.440 651 HE2 LYS 126 2HE LYS 126 1.547 -9.204 11.586 652 HE3 LYS 126 1HE LYS 126 1.295 -7.606 10.883 653 HZ1 LYS 126 3HZ LYS 126 -0.522 -9.007 12.755 654 HZ2 LYS 126 1HZ LYS 126 -0.835 -7.507 12.037 655 HZ3 LYS 126 2HZ LYS 126 0.464 -7.679 13.105 656 H CYS 127 H CYS 127 4.427 -8.269 6.983 657 HA CYS 127 HA CYS 127 5.925 -9.918 8.816 658 HB2 CYS 127 2HB CYS 127 6.825 -8.821 6.112 659 HB3 CYS 127 1HB CYS 127 7.404 -10.271 6.929 660 HG CYS 127 HG CYS 127 5.944 -11.721 5.352 661 HA PRO 128 HA PRO 128 7.933 -5.999 10.216 662 HB2 PRO 128 2HB PRO 128 8.773 -6.808 12.672 663 HB3 PRO 128 1HB PRO 128 7.080 -6.442 12.325 664 HG2 PRO 128 2HG PRO 128 8.425 -9.101 12.610 665 HG3 PRO 128 1HG PRO 128 6.785 -8.619 13.077 666 HD2 PRO 128 2HD PRO 128 7.493 -10.021 10.729 667 HD3 PRO 128 1HD PRO 128 5.940 -9.217 11.026 668 H LEU 129 H LEU 129 9.883 -5.328 9.602 669 HA LEU 129 HA LEU 129 12.387 -6.606 10.175 670 HB2 LEU 129 2HB LEU 129 11.518 -7.969 8.205 671 HB3 LEU 129 1HB LEU 129 11.534 -6.508 7.244 672 HG LEU 129 HG LEU 129 14.039 -6.390 7.556 673 HD11 LEU 129 1HD1 LEU 129 14.270 -7.651 9.615 674 HD12 LEU 129 2HD1 LEU 129 15.246 -8.378 8.344 675 HD13 LEU 129 3HD1 LEU 129 13.719 -9.128 8.811 676 HD21 LEU 129 3HD2 LEU 129 13.076 -7.303 5.503 677 HD22 LEU 129 1HD2 LEU 129 12.997 -8.918 6.220 678 HD23 LEU 129 2HD2 LEU 129 14.560 -8.153 5.917 679 H GLU 130 H GLU 130 11.023 -4.107 10.565 680 HA GLU 130 HA GLU 130 11.995 -2.129 8.718 681 HB2 GLU 130 2HB GLU 130 10.944 -0.442 10.252 682 HB3 GLU 130 1HB GLU 130 9.831 -1.668 9.672 683 HG2 GLU 130 2HG GLU 130 11.097 -1.727 12.436 684 HG3 GLU 130 1HG GLU 130 9.553 -0.950 12.092 Start of MODEL 15 1 H1 MET 43 1H MET 43 -23.926 13.874 -6.211 2 H2 MET 43 2H MET 43 -22.871 13.012 -5.214 3 H3 MET 43 3H MET 43 -23.997 14.068 -4.533 4 HA MET 43 HA MET 43 -25.817 12.722 -5.283 5 HB2 MET 43 2HB MET 43 -24.684 11.860 -7.332 6 HB3 MET 43 1HB MET 43 -23.636 10.856 -6.326 7 HG2 MET 43 2HG MET 43 -26.660 10.557 -6.452 8 HG3 MET 43 1HG MET 43 -25.533 9.665 -7.477 9 HE1 MET 43 3HE MET 43 -27.709 8.207 -5.684 10 HE2 MET 43 1HE MET 43 -26.770 6.920 -4.929 11 HE3 MET 43 2HE MET 43 -26.535 7.296 -6.636 12 H ALA 44 H ALA 44 -22.718 11.412 -4.120 13 HA ALA 44 HA ALA 44 -23.904 9.739 -2.080 14 HB1 ALA 44 3HB ALA 44 -21.573 9.143 -1.559 15 HB2 ALA 44 1HB ALA 44 -20.987 10.447 -2.600 16 HB3 ALA 44 2HB ALA 44 -21.842 9.073 -3.300 17 H THR 45 H THR 45 -22.472 9.943 0.141 18 HA THR 45 HA THR 45 -22.706 12.739 1.111 19 HB THR 45 HB THR 45 -24.361 11.453 2.252 20 HG1 THR 45 HG1 THR 45 -22.207 11.589 4.092 21 HG21 THR 45 3HG2 THR 45 -22.245 9.426 3.055 22 HG22 THR 45 1HG2 THR 45 -23.544 9.154 1.887 23 HG23 THR 45 2HG2 THR 45 -23.927 9.434 3.585 24 HA PRO 46 HA PRO 46 -18.177 11.852 1.425 25 HB2 PRO 46 2HB PRO 46 -17.773 14.715 0.849 26 HB3 PRO 46 1HB PRO 46 -17.258 13.312 -0.090 27 HG2 PRO 46 2HG PRO 46 -19.210 15.033 -0.933 28 HG3 PRO 46 1HG PRO 46 -19.154 13.321 -1.401 29 HD2 PRO 46 2HD PRO 46 -20.836 14.645 0.732 30 HD3 PRO 46 1HD PRO 46 -21.288 13.403 -0.459 31 H GLN 47 H GLN 47 -17.727 11.658 3.548 32 HA GLN 47 HA GLN 47 -18.362 13.641 5.555 33 HB2 GLN 47 2HB GLN 47 -17.153 12.144 7.107 34 HB3 GLN 47 1HB GLN 47 -18.273 11.217 6.108 35 HG2 GLN 47 2HG GLN 47 -16.375 10.519 4.668 36 HG3 GLN 47 1HG GLN 47 -15.271 11.426 5.707 37 HE21 GLN 47 1HE2 GLN 47 -17.314 8.595 5.460 38 HE22 GLN 47 2HE2 GLN 47 -16.675 7.768 6.835 39 H ASP 48 H ASP 48 -16.303 14.148 7.109 40 HA ASP 48 HA ASP 48 -14.471 15.811 5.703 41 HB2 ASP 48 2HB ASP 48 -14.433 14.807 8.586 42 HB3 ASP 48 1HB ASP 48 -13.340 16.037 7.956 43 H LYS 49 H LYS 49 -12.588 15.313 4.772 44 HA LYS 49 HA LYS 49 -11.616 12.613 4.630 45 HB2 LYS 49 2HB LYS 49 -9.910 13.554 3.076 46 HB3 LYS 49 1HB LYS 49 -11.554 13.993 2.637 47 HG2 LYS 49 2HG LYS 49 -11.219 16.238 3.635 48 HG3 LYS 49 1HG LYS 49 -9.555 15.801 4.034 49 HD2 LYS 49 2HD LYS 49 -9.024 15.548 1.642 50 HD3 LYS 49 1HD LYS 49 -10.710 15.878 1.218 51 HE2 LYS 49 2HE LYS 49 -9.335 17.875 0.867 52 HE3 LYS 49 1HE LYS 49 -10.498 18.150 2.164 53 HZ1 LYS 49 3HZ LYS 49 -8.293 18.998 2.694 54 HZ2 LYS 49 1HZ LYS 49 -7.634 17.449 2.563 55 HZ3 LYS 49 2HZ LYS 49 -8.756 17.794 3.780 56 H LEU 50 H LEU 50 -11.120 15.047 6.887 57 HA LEU 50 HA LEU 50 -8.471 14.276 7.764 58 HB2 LEU 50 2HB LEU 50 -10.660 15.931 9.083 59 HB3 LEU 50 1HB LEU 50 -9.062 15.686 9.780 60 HG LEU 50 HG LEU 50 -9.643 17.105 7.144 61 HD11 LEU 50 1HD1 LEU 50 -8.940 19.163 8.285 62 HD12 LEU 50 2HD1 LEU 50 -8.783 18.277 9.805 63 HD13 LEU 50 3HD1 LEU 50 -10.367 18.456 9.045 64 HD21 LEU 50 3HD2 LEU 50 -6.987 16.738 8.573 65 HD22 LEU 50 1HD2 LEU 50 -7.263 17.712 7.124 66 HD23 LEU 50 2HD2 LEU 50 -7.474 15.966 7.062 67 H HIS 51 H HIS 51 -9.469 11.979 7.483 68 HA HIS 51 HA HIS 51 -9.768 10.832 10.155 69 HB2 HIS 51 2HB HIS 51 -11.671 10.208 7.835 70 HB3 HIS 51 1HB HIS 51 -11.478 9.157 9.226 71 HD1 HIS 51 HD1 HIS 51 -13.775 11.455 8.047 72 HD2 HIS 51 HD2 HIS 51 -11.968 10.930 11.748 73 HE1 HIS 51 HE1 HIS 51 -15.290 12.589 9.688 74 HE2 HIS 51 HE2 HIS 51 -14.239 12.159 11.933 75 H THR 52 H THR 52 -9.005 8.642 10.204 76 HA THR 52 HA THR 52 -7.231 7.900 7.961 77 HB THR 52 HB THR 52 -6.136 6.421 9.798 78 HG1 THR 52 HG1 THR 52 -7.259 6.450 11.596 79 HG21 THR 52 3HG2 THR 52 -5.945 9.436 10.077 80 HG22 THR 52 1HG2 THR 52 -5.048 8.453 8.911 81 HG23 THR 52 2HG2 THR 52 -4.751 8.267 10.641 82 H VAL 53 H VAL 53 -7.809 6.229 6.783 83 HA VAL 53 HA VAL 53 -9.846 4.312 7.728 84 HB VAL 53 HB VAL 53 -8.794 4.709 4.876 85 HG11 VAL 53 1HG1 VAL 53 -11.247 3.206 5.898 86 HG12 VAL 53 2HG1 VAL 53 -9.775 2.474 5.250 87 HG13 VAL 53 3HG1 VAL 53 -10.818 3.435 4.200 88 HG21 VAL 53 3HG2 VAL 53 -10.886 5.943 4.400 89 HG22 VAL 53 1HG2 VAL 53 -9.909 6.778 5.610 90 HG23 VAL 53 2HG2 VAL 53 -11.332 5.859 6.106 91 H ARG 54 H ARG 54 -9.031 2.429 8.480 92 HA ARG 54 HA ARG 54 -6.272 1.635 7.885 93 HB2 ARG 54 2HB ARG 54 -7.391 1.684 10.251 94 HB3 ARG 54 1HB ARG 54 -8.189 0.199 9.769 95 HG2 ARG 54 2HG ARG 54 -6.240 -0.368 11.067 96 HG3 ARG 54 1HG ARG 54 -5.934 -0.837 9.392 97 HD2 ARG 54 2HD ARG 54 -4.506 1.076 9.043 98 HD3 ARG 54 1HD ARG 54 -4.989 1.794 10.586 99 HE ARG 54 HE ARG 54 -3.793 -0.756 10.988 100 HH11 ARG 54 1HH1 ARG 54 -2.946 2.587 10.327 101 HH12 ARG 54 2HH1 ARG 54 -1.339 2.424 10.955 102 HH21 ARG 54 1HH2 ARG 54 -1.714 -0.926 11.861 103 HH22 ARG 54 2HH2 ARG 54 -0.648 0.443 11.833 104 H LEU 55 H LEU 55 -5.855 0.119 6.359 105 HA LEU 55 HA LEU 55 -7.979 -1.763 5.485 106 HB2 LEU 55 2HB LEU 55 -7.359 0.460 4.002 107 HB3 LEU 55 1HB LEU 55 -6.143 -0.633 3.378 108 HG LEU 55 HG LEU 55 -9.164 -1.003 3.237 109 HD11 LEU 55 1HD1 LEU 55 -8.864 -0.780 0.805 110 HD12 LEU 55 2HD1 LEU 55 -7.133 -0.499 1.034 111 HD13 LEU 55 3HD1 LEU 55 -8.312 0.657 1.659 112 HD21 LEU 55 3HD2 LEU 55 -8.173 -3.214 3.509 113 HD22 LEU 55 1HD2 LEU 55 -7.011 -2.887 2.223 114 HD23 LEU 55 2HD2 LEU 55 -8.730 -3.014 1.852 115 H PHE 56 H PHE 56 -7.229 -3.808 4.978 116 HA PHE 56 HA PHE 56 -4.370 -4.440 5.521 117 HB2 PHE 56 2HB PHE 56 -6.869 -6.043 6.270 118 HB3 PHE 56 1HB PHE 56 -5.216 -6.595 6.506 119 HD1 PHE 56 HD2 PHE 56 -7.523 -3.785 7.493 120 HD2 PHE 56 HD1 PHE 56 -4.190 -6.223 8.590 121 HE1 PHE 56 HE2 PHE 56 -7.520 -2.780 9.736 122 HE2 PHE 56 HE1 PHE 56 -4.207 -5.217 10.830 123 HZ PHE 56 HZ PHE 56 -5.865 -3.499 11.410 124 H GLY 57 H GLY 57 -3.481 -6.213 4.300 125 HA2 GLY 57 2HA GLY 57 -4.775 -8.152 2.841 126 HA3 GLY 57 1HA GLY 57 -4.676 -6.792 1.727 127 H THR 58 H THR 58 -3.367 -8.105 0.361 128 HA THR 58 HA THR 58 -0.518 -8.286 1.190 129 HB THR 58 HB THR 58 -1.884 -10.127 -0.839 130 HG1 THR 58 HG1 THR 58 -1.253 -10.666 1.893 131 HG21 THR 58 3HG2 THR 58 0.596 -9.940 -1.084 132 HG22 THR 58 1HG2 THR 58 0.114 -11.547 -0.528 133 HG23 THR 58 2HG2 THR 58 0.788 -10.385 0.614 134 H VAL 59 H VAL 59 0.986 -7.602 -0.334 135 HA VAL 59 HA VAL 59 0.059 -5.860 -2.487 136 HB VAL 59 HB VAL 59 2.870 -6.443 -1.437 137 HG11 VAL 59 1HG1 VAL 59 3.614 -4.484 -2.761 138 HG12 VAL 59 2HG1 VAL 59 2.004 -4.337 -3.465 139 HG13 VAL 59 3HG1 VAL 59 2.986 -5.763 -3.803 140 HG21 VAL 59 3HG2 VAL 59 1.477 -5.258 0.197 141 HG22 VAL 59 1HG2 VAL 59 1.070 -4.032 -1.001 142 HG23 VAL 59 2HG2 VAL 59 2.731 -4.186 -0.427 143 H ALA 60 H ALA 60 -0.198 -6.630 -4.467 144 HA ALA 60 HA ALA 60 0.687 -9.238 -5.294 145 HB1 ALA 60 3HB ALA 60 -0.670 -7.044 -6.897 146 HB2 ALA 60 1HB ALA 60 -1.489 -8.334 -6.016 147 HB3 ALA 60 2HB ALA 60 -0.470 -8.725 -7.403 148 H ALA 61 H ALA 61 1.974 -9.665 -7.166 149 HA ALA 61 HA ALA 61 4.352 -8.006 -7.409 150 HB1 ALA 61 3HB ALA 61 5.190 -9.840 -8.831 151 HB2 ALA 61 1HB ALA 61 3.590 -10.599 -8.805 152 HB3 ALA 61 2HB ALA 61 4.530 -10.462 -7.317 153 H ASP 62 H ASP 62 1.336 -8.338 -9.018 154 HA ASP 62 HA ASP 62 2.162 -7.322 -11.602 155 HB2 ASP 62 2HB ASP 62 0.281 -8.908 -11.456 156 HB3 ASP 62 1HB ASP 62 -0.605 -7.803 -10.408 157 H GLY 63 H GLY 63 2.404 -5.244 -12.060 158 HA2 GLY 63 2HA GLY 63 1.849 -3.021 -12.343 159 HA3 GLY 63 1HA GLY 63 0.467 -3.253 -11.291 160 H LEU 64 H LEU 64 3.304 -4.310 -9.778 161 HA LEU 64 HA LEU 64 3.266 -2.194 -7.864 162 HB2 LEU 64 2HB LEU 64 3.971 -4.692 -7.558 163 HB3 LEU 64 1HB LEU 64 5.535 -4.195 -8.179 164 HG LEU 64 HG LEU 64 4.230 -3.050 -5.659 165 HD11 LEU 64 1HD1 LEU 64 6.452 -5.106 -5.878 166 HD12 LEU 64 2HD1 LEU 64 4.795 -5.408 -5.341 167 HD13 LEU 64 3HD1 LEU 64 5.852 -4.374 -4.383 168 HD21 LEU 64 3HD2 LEU 64 5.782 -1.439 -6.639 169 HD22 LEU 64 1HD2 LEU 64 7.050 -2.665 -6.722 170 HD23 LEU 64 2HD2 LEU 64 6.460 -2.102 -5.158 171 H THR 65 H THR 65 3.826 -0.254 -8.562 172 HA THR 65 HA THR 65 6.270 0.197 -10.168 173 HB THR 65 HB THR 65 3.758 1.931 -9.993 174 HG1 THR 65 HG1 THR 65 3.461 -0.098 -11.111 175 HG21 THR 65 3HG2 THR 65 4.711 3.137 -11.932 176 HG22 THR 65 1HG2 THR 65 6.164 2.143 -11.847 177 HG23 THR 65 2HG2 THR 65 5.772 3.248 -10.525 178 H MET 66 H MET 66 7.859 1.017 -8.878 179 HA MET 66 HA MET 66 7.180 2.492 -6.412 180 HB2 MET 66 2HB MET 66 9.880 1.463 -7.408 181 HB3 MET 66 1HB MET 66 9.648 2.373 -5.917 182 HG2 MET 66 2HG MET 66 8.083 0.518 -5.169 183 HG3 MET 66 1HG MET 66 8.627 -0.398 -6.573 184 HE1 MET 66 3HE MET 66 10.680 1.993 -4.143 185 HE2 MET 66 1HE MET 66 11.321 0.805 -3.004 186 HE3 MET 66 2HE MET 66 9.589 1.105 -3.076 187 H LEU 67 H LEU 67 7.638 4.650 -6.188 188 HA LEU 67 HA LEU 67 7.545 6.184 -8.594 189 HB2 LEU 67 2HB LEU 67 7.904 7.132 -5.718 190 HB3 LEU 67 1HB LEU 67 7.450 8.147 -7.085 191 HG LEU 67 HG LEU 67 5.773 5.889 -5.888 192 HD11 LEU 67 1HD1 LEU 67 5.767 7.883 -4.470 193 HD12 LEU 67 2HD1 LEU 67 4.188 7.655 -5.223 194 HD13 LEU 67 3HD1 LEU 67 5.292 8.887 -5.843 195 HD21 LEU 67 3HD2 LEU 67 5.093 7.708 -8.227 196 HD22 LEU 67 1HD2 LEU 67 4.000 6.547 -7.468 197 HD23 LEU 67 2HD2 LEU 67 5.435 5.977 -8.314 198 H ASP 68 H ASP 68 9.163 7.169 -9.703 199 HA ASP 68 HA ASP 68 11.936 6.664 -8.866 200 HB2 ASP 68 2HB ASP 68 12.520 7.268 -11.238 201 HB3 ASP 68 1HB ASP 68 11.452 5.883 -11.093 202 H GLY 69 H GLY 69 12.929 8.197 -7.764 203 HA2 GLY 69 2HA GLY 69 13.870 10.357 -7.470 204 HA3 GLY 69 1HA GLY 69 12.536 11.068 -8.370 205 H ALA 70 H ALA 70 10.526 9.489 -6.886 206 HA ALA 70 HA ALA 70 10.472 10.977 -4.329 207 HB1 ALA 70 3HB ALA 70 8.567 11.379 -5.827 208 HB2 ALA 70 1HB ALA 70 8.033 10.541 -4.368 209 HB3 ALA 70 2HB ALA 70 8.220 9.651 -5.882 210 HA PRO 71 HA PRO 71 11.259 7.074 -2.285 211 HB2 PRO 71 2HB PRO 71 10.247 8.051 0.285 212 HB3 PRO 71 1HB PRO 71 11.922 7.879 -0.243 213 HG2 PRO 71 2HG PRO 71 10.699 10.310 0.169 214 HG3 PRO 71 1HG PRO 71 12.067 10.071 -0.937 215 HD2 PRO 71 2HD PRO 71 9.120 10.259 -1.569 216 HD3 PRO 71 1HD PRO 71 10.504 10.989 -2.417 217 H GLY 72 H GLY 72 8.221 7.889 -3.049 218 HA2 GLY 72 2HA GLY 72 6.726 6.106 -1.266 219 HA3 GLY 72 1HA GLY 72 6.061 7.167 -2.498 220 H VAL 73 H VAL 73 4.774 5.102 -2.775 221 HA VAL 73 HA VAL 73 5.759 3.674 -5.098 222 HB VAL 73 HB VAL 73 6.603 2.285 -3.176 223 HG11 VAL 73 1HG1 VAL 73 4.824 2.720 -1.526 224 HG12 VAL 73 2HG1 VAL 73 5.048 0.987 -1.762 225 HG13 VAL 73 3HG1 VAL 73 3.672 1.808 -2.504 226 HG21 VAL 73 3HG2 VAL 73 6.134 1.191 -5.336 227 HG22 VAL 73 1HG2 VAL 73 4.473 0.881 -4.831 228 HG23 VAL 73 2HG2 VAL 73 5.814 0.094 -3.995 229 H ARG 74 H ARG 74 4.094 2.750 -6.310 230 HA ARG 74 HA ARG 74 1.346 2.746 -5.252 231 HB2 ARG 74 2HB ARG 74 1.595 4.343 -7.142 232 HB3 ARG 74 1HB ARG 74 2.228 3.050 -8.159 233 HG2 ARG 74 2HG ARG 74 0.074 1.859 -8.017 234 HG3 ARG 74 1HG ARG 74 -0.565 3.117 -6.953 235 HD2 ARG 74 2HD ARG 74 0.289 3.469 -9.849 236 HD3 ARG 74 1HD ARG 74 -1.373 3.424 -9.239 237 HE ARG 74 HE ARG 74 0.552 5.505 -8.377 238 HH11 ARG 74 1HH1 ARG 74 -2.584 4.702 -9.743 239 HH12 ARG 74 2HH1 ARG 74 -3.103 6.355 -9.789 240 HH21 ARG 74 1HH2 ARG 74 -0.128 7.637 -8.452 241 HH22 ARG 74 2HH2 ARG 74 -1.704 8.026 -9.065 242 H PHE 75 H PHE 75 0.292 0.821 -5.417 243 HA PHE 75 HA PHE 75 1.305 -1.443 -6.938 244 HB2 PHE 75 2HB PHE 75 1.426 -2.938 -4.922 245 HB3 PHE 75 1HB PHE 75 2.656 -1.685 -4.908 246 HD1 PHE 75 HD2 PHE 75 2.547 0.175 -3.260 247 HD2 PHE 75 HD1 PHE 75 -0.336 -2.990 -3.197 248 HE1 PHE 75 HE2 PHE 75 1.895 0.807 -0.970 249 HE2 PHE 75 HE1 PHE 75 -0.981 -2.345 -0.912 250 HZ PHE 75 HZ PHE 75 0.133 -0.453 0.204 251 H ARG 76 H ARG 76 -0.292 -3.377 -6.541 252 HA ARG 76 HA ARG 76 -2.967 -2.294 -5.879 253 HB2 ARG 76 2HB ARG 76 -4.001 -3.899 -7.346 254 HB3 ARG 76 1HB ARG 76 -2.801 -2.973 -8.228 255 HG2 ARG 76 2HG ARG 76 -1.247 -4.976 -7.970 256 HG3 ARG 76 1HG ARG 76 -2.646 -5.870 -7.362 257 HD2 ARG 76 2HD ARG 76 -2.234 -4.673 -10.121 258 HD3 ARG 76 1HD ARG 76 -2.489 -6.369 -9.697 259 HE ARG 76 HE ARG 76 -4.781 -5.164 -8.862 260 HH11 ARG 76 1HH1 ARG 76 -3.135 -5.308 -11.969 261 HH12 ARG 76 2HH1 ARG 76 -4.581 -4.979 -12.876 262 HH21 ARG 76 1HH2 ARG 76 -6.648 -4.701 -10.070 263 HH22 ARG 76 2HH2 ARG 76 -6.564 -4.649 -11.805 264 H LEU 77 H LEU 77 -3.511 -2.770 -3.961 265 HA LEU 77 HA LEU 77 -2.672 -5.051 -2.426 266 HB2 LEU 77 2HB LEU 77 -3.186 -2.727 -1.511 267 HB3 LEU 77 1HB LEU 77 -4.881 -3.022 -1.857 268 HG LEU 77 HG LEU 77 -4.732 -5.035 -0.262 269 HD11 LEU 77 1HD1 LEU 77 -2.888 -5.024 1.361 270 HD12 LEU 77 2HD1 LEU 77 -2.092 -3.731 0.462 271 HD13 LEU 77 3HD1 LEU 77 -2.311 -5.321 -0.277 272 HD21 LEU 77 3HD2 LEU 77 -5.814 -2.939 0.417 273 HD22 LEU 77 1HD2 LEU 77 -4.254 -2.277 0.917 274 HD23 LEU 77 2HD2 LEU 77 -4.945 -3.660 1.770 275 H GLU 78 H GLU 78 -3.815 -6.941 -2.172 276 HA GLU 78 HA GLU 78 -6.128 -7.433 -3.880 277 HB2 GLU 78 2HB GLU 78 -4.633 -9.326 -2.015 278 HB3 GLU 78 1HB GLU 78 -5.864 -9.794 -3.193 279 HG2 GLU 78 2HG GLU 78 -4.356 -8.926 -5.011 280 HG3 GLU 78 1HG GLU 78 -3.115 -8.631 -3.790 281 H ASP 79 H ASP 79 -8.170 -7.201 -3.192 282 HA ASP 79 HA ASP 79 -8.967 -6.690 -0.524 283 HB2 ASP 79 2HB ASP 79 -10.561 -7.561 -2.972 284 HB3 ASP 79 1HB ASP 79 -11.322 -7.194 -1.431 285 H LYS 80 H LYS 80 -8.493 -8.224 0.981 286 HA LYS 80 HA LYS 80 -9.158 -11.021 0.684 287 HB2 LYS 80 2HB LYS 80 -8.412 -9.376 3.135 288 HB3 LYS 80 1HB LYS 80 -8.660 -11.125 3.151 289 HG2 LYS 80 2HG LYS 80 -6.818 -11.256 1.363 290 HG3 LYS 80 1HG LYS 80 -6.474 -9.562 1.744 291 HD2 LYS 80 2HD LYS 80 -5.955 -10.145 4.062 292 HD3 LYS 80 1HD LYS 80 -6.435 -11.825 3.777 293 HE2 LYS 80 2HE LYS 80 -4.577 -11.959 2.050 294 HE3 LYS 80 1HE LYS 80 -4.042 -10.364 2.593 295 HZ1 LYS 80 3HZ LYS 80 -4.253 -12.778 4.306 296 HZ2 LYS 80 1HZ LYS 80 -3.645 -11.268 4.762 297 HZ3 LYS 80 2HZ LYS 80 -2.821 -12.191 3.615 298 H ASP 81 H ASP 81 -10.783 -8.115 1.757 299 HA ASP 81 HA ASP 81 -13.000 -9.236 3.114 300 HB2 ASP 81 2HB ASP 81 -12.790 -6.672 1.472 301 HB3 ASP 81 1HB ASP 81 -14.175 -7.079 2.483 302 H ASN 82 H ASN 82 -12.271 -8.869 -0.305 303 HA ASN 82 HA ASN 82 -14.320 -10.745 -1.049 304 HB2 ASN 82 2HB ASN 82 -15.488 -9.291 -2.693 305 HB3 ASN 82 1HB ASN 82 -15.719 -8.739 -1.044 306 HD21 ASN 82 1HD2 ASN 82 -13.449 -7.207 -0.600 307 HD22 ASN 82 2HD2 ASN 82 -13.429 -5.869 -1.683 308 H THR 83 H THR 83 -12.848 -12.064 -1.926 309 HA THR 83 HA THR 83 -10.654 -11.097 -3.554 310 HB THR 83 HB THR 83 -11.380 -13.980 -2.867 311 HG1 THR 83 HG1 THR 83 -9.864 -11.983 -1.529 312 HG21 THR 83 3HG2 THR 83 -9.769 -13.796 -4.762 313 HG22 THR 83 1HG2 THR 83 -9.000 -14.455 -3.314 314 HG23 THR 83 2HG2 THR 83 -8.729 -12.772 -3.769 315 H SER 84 H SER 84 -12.341 -10.173 -4.989 316 HA SER 84 HA SER 84 -12.202 -11.682 -7.488 317 HB2 SER 84 2HB SER 84 -14.742 -10.202 -6.624 318 HB3 SER 84 1HB SER 84 -14.486 -11.021 -8.166 319 HG SER 84 HG SER 84 -14.190 -12.977 -6.881 320 H LYS 85 H LYS 85 -11.207 -9.163 -5.802 321 HA LYS 85 HA LYS 85 -11.109 -7.172 -7.940 322 HB2 LYS 85 2HB LYS 85 -12.406 -6.589 -5.230 323 HB3 LYS 85 1HB LYS 85 -11.926 -5.347 -6.381 324 HG2 LYS 85 2HG LYS 85 -13.579 -6.220 -8.013 325 HG3 LYS 85 1HG LYS 85 -14.046 -7.465 -6.851 326 HD2 LYS 85 2HD LYS 85 -15.676 -5.657 -6.759 327 HD3 LYS 85 1HD LYS 85 -14.758 -5.680 -5.255 328 HE2 LYS 85 2HE LYS 85 -13.309 -3.836 -6.235 329 HE3 LYS 85 1HE LYS 85 -14.455 -3.749 -7.574 330 HZ1 LYS 85 3HZ LYS 85 -16.180 -3.187 -5.993 331 HZ2 LYS 85 1HZ LYS 85 -14.892 -2.101 -5.867 332 HZ3 LYS 85 2HZ LYS 85 -15.090 -3.319 -4.709 333 H THR 86 H THR 86 -9.572 -5.473 -7.469 334 HA THR 86 HA THR 86 -7.869 -5.744 -5.075 335 HB THR 86 HB THR 86 -5.831 -5.230 -6.518 336 HG1 THR 86 HG1 THR 86 -7.557 -5.999 -8.647 337 HG21 THR 86 3HG2 THR 86 -7.199 -7.871 -7.173 338 HG22 THR 86 1HG2 THR 86 -6.223 -7.552 -5.734 339 HG23 THR 86 2HG2 THR 86 -5.476 -7.526 -7.332 340 H VAL 87 H VAL 87 -7.314 -3.786 -4.211 341 HA VAL 87 HA VAL 87 -8.210 -1.311 -5.555 342 HB VAL 87 HB VAL 87 -7.191 -1.645 -2.679 343 HG11 VAL 87 1HG1 VAL 87 -8.224 0.576 -2.262 344 HG12 VAL 87 2HG1 VAL 87 -8.676 0.695 -3.965 345 HG13 VAL 87 3HG1 VAL 87 -6.972 0.673 -3.505 346 HG21 VAL 87 3HG2 VAL 87 -9.255 -2.942 -2.949 347 HG22 VAL 87 1HG2 VAL 87 -10.078 -1.538 -3.632 348 HG23 VAL 87 2HG2 VAL 87 -9.548 -1.521 -1.946 349 H TRP 88 H TRP 88 -6.696 0.151 -6.296 350 HA TRP 88 HA TRP 88 -3.857 -0.478 -6.139 351 HB2 TRP 88 2HB TRP 88 -5.438 1.677 -7.612 352 HB3 TRP 88 1HB TRP 88 -3.677 1.622 -7.601 353 HD1 TRP 88 HD1 TRP 88 -6.707 -0.267 -9.043 354 HE1 TRP 88 HE1 TRP 88 -5.876 -1.767 -10.965 355 HE3 TRP 88 HE3 TRP 88 -1.671 0.327 -8.421 356 HZ2 TRP 88 HZ2 TRP 88 -3.420 -2.604 -12.058 357 HZ3 TRP 88 HZ3 TRP 88 -0.144 -0.859 -9.946 358 HH2 TRP 88 HH2 TRP 88 -1.005 -2.296 -11.724 359 H VAL 89 H VAL 89 -2.470 0.690 -4.855 360 HA VAL 89 HA VAL 89 -3.625 2.709 -3.053 361 HB VAL 89 HB VAL 89 -1.579 0.560 -2.330 362 HG11 VAL 89 1HG1 VAL 89 -2.922 2.666 -0.581 363 HG12 VAL 89 2HG1 VAL 89 -1.222 2.647 -1.066 364 HG13 VAL 89 3HG1 VAL 89 -1.851 1.384 -0.005 365 HG21 VAL 89 3HG2 VAL 89 -3.368 -0.430 -0.930 366 HG22 VAL 89 1HG2 VAL 89 -3.840 -0.411 -2.632 367 HG23 VAL 89 2HG2 VAL 89 -4.514 0.780 -1.516 368 H LEU 90 H LEU 90 -2.739 4.567 -3.456 369 HA LEU 90 HA LEU 90 0.018 4.855 -4.412 370 HB2 LEU 90 2HB LEU 90 -1.808 6.141 -5.535 371 HB3 LEU 90 1HB LEU 90 -2.190 6.924 -4.007 372 HG LEU 90 HG LEU 90 0.042 8.034 -4.018 373 HD11 LEU 90 1HD1 LEU 90 1.477 7.968 -6.020 374 HD12 LEU 90 2HD1 LEU 90 0.444 6.729 -6.734 375 HD13 LEU 90 3HD1 LEU 90 1.357 6.382 -5.262 376 HD21 LEU 90 3HD2 LEU 90 -0.410 9.630 -5.832 377 HD22 LEU 90 1HD2 LEU 90 -1.899 9.202 -4.988 378 HD23 LEU 90 2HD2 LEU 90 -1.544 8.497 -6.567 379 H TYR 91 H TYR 91 1.210 4.378 -2.651 380 HA TYR 91 HA TYR 91 0.726 5.570 -0.022 381 HB2 TYR 91 2HB TYR 91 1.465 3.279 0.076 382 HB3 TYR 91 1HB TYR 91 2.817 3.585 -1.014 383 HD1 TYR 91 HD1 TYR 91 1.582 5.146 2.207 384 HD2 TYR 91 HD2 TYR 91 4.893 3.450 0.110 385 HE1 TYR 91 HE1 TYR 91 3.038 5.597 4.128 386 HE2 TYR 91 HE2 TYR 91 6.339 3.892 2.042 387 HH TYR 91 HH TYR 91 6.458 5.268 3.975 388 H LYS 92 H LYS 92 1.253 7.690 0.095 389 HA LYS 92 HA LYS 92 3.798 8.713 -0.929 390 HB2 LYS 92 2HB LYS 92 1.474 10.055 0.523 391 HB3 LYS 92 1HB LYS 92 2.900 10.900 -0.077 392 HG2 LYS 92 2HG LYS 92 2.340 10.321 -2.376 393 HG3 LYS 92 1HG LYS 92 0.969 9.349 -1.831 394 HD2 LYS 92 2HD LYS 92 -0.186 11.330 -1.028 395 HD3 LYS 92 1HD LYS 92 1.227 12.341 -1.357 396 HE2 LYS 92 2HE LYS 92 -0.320 10.839 -3.497 397 HE3 LYS 92 1HE LYS 92 -0.601 12.528 -3.073 398 HZ1 LYS 92 3HZ LYS 92 1.684 13.022 -3.688 399 HZ2 LYS 92 1HZ LYS 92 0.832 12.341 -4.980 400 HZ3 LYS 92 2HZ LYS 92 1.936 11.405 -4.113 401 H GLY 93 H GLY 93 5.531 8.289 0.303 402 HA2 GLY 93 2HA GLY 93 6.118 9.212 2.808 403 HA3 GLY 93 1HA GLY 93 5.398 7.629 3.105 404 H ALA 94 H ALA 94 7.642 7.312 4.001 405 HA ALA 94 HA ALA 94 9.716 6.673 2.040 406 HB1 ALA 94 3HB ALA 94 9.671 6.349 5.070 407 HB2 ALA 94 1HB ALA 94 10.362 7.707 4.181 408 HB3 ALA 94 2HB ALA 94 11.078 6.103 4.028 409 H VAL 95 H VAL 95 9.574 4.754 0.979 410 HA VAL 95 HA VAL 95 8.040 2.514 1.992 411 HB VAL 95 HB VAL 95 9.810 2.728 -0.491 412 HG11 VAL 95 1HG1 VAL 95 7.858 0.515 0.271 413 HG12 VAL 95 2HG1 VAL 95 9.616 0.371 0.206 414 HG13 VAL 95 3HG1 VAL 95 8.700 0.652 -1.276 415 HG21 VAL 95 3HG2 VAL 95 7.688 2.907 -1.731 416 HG22 VAL 95 1HG2 VAL 95 7.850 4.219 -0.560 417 HG23 VAL 95 2HG2 VAL 95 6.787 2.854 -0.214 418 HA PRO 96 HA PRO 96 11.711 0.879 4.129 419 HB2 PRO 96 2HB PRO 96 10.501 -1.188 5.406 420 HB3 PRO 96 1HB PRO 96 10.250 0.493 5.906 421 HG2 PRO 96 2HG PRO 96 8.487 -1.246 4.163 422 HG3 PRO 96 1HG PRO 96 8.026 -0.227 5.546 423 HD2 PRO 96 2HD PRO 96 7.755 0.607 2.962 424 HD3 PRO 96 1HD PRO 96 8.110 1.736 4.291 425 H ASP 97 H ASP 97 12.972 -1.067 4.061 426 HA ASP 97 HA ASP 97 13.133 -2.434 1.578 427 HB2 ASP 97 2HB ASP 97 14.450 -3.068 4.263 428 HB3 ASP 97 1HB ASP 97 14.864 -3.861 2.741 429 H THR 98 H THR 98 11.389 -3.049 4.465 430 HA THR 98 HA THR 98 10.980 -5.852 4.327 431 HB THR 98 HB THR 98 9.108 -5.359 5.942 432 HG1 THR 98 HG1 THR 98 8.266 -3.443 5.679 433 HG21 THR 98 3HG2 THR 98 11.709 -3.896 6.544 434 HG22 THR 98 1HG2 THR 98 11.392 -5.607 6.837 435 HG23 THR 98 2HG2 THR 98 10.505 -4.379 7.742 436 H PHE 99 H PHE 99 9.611 -3.217 2.626 437 HA PHE 99 HA PHE 99 7.189 -4.547 1.689 438 HB2 PHE 99 2HB PHE 99 7.137 -2.118 1.929 439 HB3 PHE 99 1HB PHE 99 8.530 -1.928 0.876 440 HD1 PHE 99 HD1 PHE 99 4.902 -2.732 0.965 441 HD2 PHE 99 HD2 PHE 99 8.280 -1.972 -1.545 442 HE1 PHE 99 HE1 PHE 99 3.422 -2.473 -0.979 443 HE2 PHE 99 HE2 PHE 99 6.790 -1.721 -3.468 444 HZ PHE 99 HZ PHE 99 4.357 -1.970 -3.192 445 H LYS 100 H LYS 100 6.929 -5.597 -0.249 446 HA LYS 100 HA LYS 100 8.904 -5.762 -2.336 447 HB2 LYS 100 2HB LYS 100 9.347 -8.257 -1.939 448 HB3 LYS 100 1HB LYS 100 10.101 -7.174 -0.775 449 HG2 LYS 100 2HG LYS 100 8.334 -7.633 0.857 450 HG3 LYS 100 1HG LYS 100 7.510 -8.679 -0.300 451 HD2 LYS 100 2HD LYS 100 9.233 -10.338 -0.176 452 HD3 LYS 100 1HD LYS 100 10.334 -9.241 0.665 453 HE2 LYS 100 2HE LYS 100 7.706 -10.229 1.840 454 HE3 LYS 100 1HE LYS 100 9.278 -10.969 2.159 455 HZ1 LYS 100 3HZ LYS 100 8.532 -8.156 2.803 456 HZ2 LYS 100 1HZ LYS 100 10.032 -8.874 3.112 457 HZ3 LYS 100 2HZ LYS 100 8.650 -9.427 3.912 458 HA PRO 101 HA PRO 101 5.280 -7.715 -4.468 459 HB2 PRO 101 2HB PRO 101 6.610 -9.430 -6.205 460 HB3 PRO 101 1HB PRO 101 6.372 -7.704 -6.517 461 HG2 PRO 101 2HG PRO 101 8.790 -9.111 -5.367 462 HG3 PRO 101 1HG PRO 101 8.723 -7.851 -6.621 463 HD2 PRO 101 2HD PRO 101 9.355 -7.220 -4.091 464 HD3 PRO 101 1HD PRO 101 8.333 -6.137 -5.064 465 H GLY 102 H GLY 102 4.294 -8.916 -2.919 466 HA2 GLY 102 2HA GLY 102 3.673 -11.068 -2.086 467 HA3 GLY 102 1HA GLY 102 5.333 -11.621 -2.281 468 H VAL 103 H VAL 103 3.452 -9.176 -0.614 469 HA VAL 103 HA VAL 103 4.817 -9.745 1.908 470 HB VAL 103 HB VAL 103 6.153 -7.846 0.970 471 HG11 VAL 103 1HG1 VAL 103 4.409 -6.625 -0.237 472 HG12 VAL 103 2HG1 VAL 103 5.254 -5.572 0.900 473 HG13 VAL 103 3HG1 VAL 103 3.645 -6.187 1.295 474 HG21 VAL 103 3HG2 VAL 103 4.632 -7.192 3.510 475 HG22 VAL 103 1HG2 VAL 103 6.168 -6.468 3.023 476 HG23 VAL 103 2HG2 VAL 103 6.081 -8.193 3.388 477 H GLU 104 H GLU 104 3.337 -9.963 3.487 478 HA GLU 104 HA GLU 104 0.649 -8.969 3.354 479 HB2 GLU 104 2HB GLU 104 2.282 -9.815 5.796 480 HB3 GLU 104 1HB GLU 104 0.537 -9.551 5.785 481 HG2 GLU 104 2HG GLU 104 2.063 -11.719 4.313 482 HG3 GLU 104 1HG GLU 104 1.046 -11.923 5.739 483 H VAL 105 H VAL 105 -0.111 -6.974 3.992 484 HA VAL 105 HA VAL 105 1.649 -5.125 5.465 485 HB VAL 105 HB VAL 105 1.017 -3.210 3.926 486 HG11 VAL 105 1HG1 VAL 105 2.717 -5.391 2.672 487 HG12 VAL 105 2HG1 VAL 105 3.262 -4.135 3.794 488 HG13 VAL 105 3HG1 VAL 105 2.702 -3.694 2.180 489 HG21 VAL 105 3HG2 VAL 105 0.136 -5.419 2.026 490 HG22 VAL 105 1HG2 VAL 105 0.265 -3.704 1.620 491 HG23 VAL 105 2HG2 VAL 105 -0.924 -4.244 2.806 492 H ILE 106 H ILE 106 0.622 -3.350 6.304 493 HA ILE 106 HA ILE 106 -2.316 -3.296 6.502 494 HB ILE 106 HB ILE 106 -0.369 -2.726 8.808 495 HG12 ILE 106 2HG1 ILE 106 -2.230 -5.136 8.495 496 HG13 ILE 106 1HG1 ILE 106 -0.488 -5.186 8.261 497 HG21 ILE 106 1HG2 ILE 106 -3.417 -2.836 8.787 498 HG22 ILE 106 2HG2 ILE 106 -2.430 -1.373 8.898 499 HG23 ILE 106 3HG2 ILE 106 -2.401 -2.558 10.201 500 HD11 ILE 106 3HD1 ILE 106 -1.918 -4.590 10.851 501 HD12 ILE 106 1HD1 ILE 106 -0.165 -4.624 10.627 502 HD13 ILE 106 2HD1 ILE 106 -1.114 -6.093 10.408 503 H ILE 107 H ILE 107 -2.728 -1.483 5.339 504 HA ILE 107 HA ILE 107 -0.911 0.851 5.455 505 HB ILE 107 HB ILE 107 -2.050 1.646 3.407 506 HG12 ILE 107 2HG1 ILE 107 -3.694 -0.925 3.566 507 HG13 ILE 107 1HG1 ILE 107 -4.317 0.696 3.831 508 HG21 ILE 107 1HG2 ILE 107 -1.122 -1.241 3.140 509 HG22 ILE 107 2HG2 ILE 107 -0.084 0.187 3.146 510 HG23 ILE 107 3HG2 ILE 107 -1.223 -0.065 1.824 511 HD11 ILE 107 3HD1 ILE 107 -4.948 -0.101 1.667 512 HD12 ILE 107 1HD1 ILE 107 -3.269 -0.433 1.246 513 HD13 ILE 107 2HD1 ILE 107 -3.810 1.230 1.479 514 H GLU 108 H GLU 108 -1.887 2.984 5.560 515 HA GLU 108 HA GLU 108 -4.642 3.267 6.461 516 HB2 GLU 108 2HB GLU 108 -3.320 2.851 8.549 517 HB3 GLU 108 1HB GLU 108 -2.287 4.226 8.158 518 HG2 GLU 108 2HG GLU 108 -4.237 5.727 8.331 519 HG3 GLU 108 1HG GLU 108 -5.268 4.349 8.713 520 H GLY 109 H GLY 109 -5.458 5.222 5.887 521 HA2 GLY 109 2HA GLY 109 -4.117 7.649 5.612 522 HA3 GLY 109 1HA GLY 109 -4.116 6.884 4.019 523 H GLY 110 H GLY 110 -5.873 7.212 2.763 524 HA2 GLY 110 2HA GLY 110 -8.542 7.191 3.851 525 HA3 GLY 110 1HA GLY 110 -8.028 8.788 3.305 526 H LEU 111 H LEU 111 -10.154 7.627 2.145 527 HA LEU 111 HA LEU 111 -9.191 7.219 -0.625 528 HB2 LEU 111 2HB LEU 111 -10.155 5.120 0.302 529 HB3 LEU 111 1HB LEU 111 -11.643 5.966 0.684 530 HG LEU 111 HG LEU 111 -12.087 6.313 -1.738 531 HD11 LEU 111 1HD1 LEU 111 -9.789 6.415 -2.580 532 HD12 LEU 111 2HD1 LEU 111 -10.724 5.206 -3.456 533 HD13 LEU 111 3HD1 LEU 111 -9.565 4.699 -2.225 534 HD21 LEU 111 3HD2 LEU 111 -11.559 3.403 -1.020 535 HD22 LEU 111 1HD2 LEU 111 -12.598 3.969 -2.334 536 HD23 LEU 111 2HD2 LEU 111 -13.028 4.316 -0.662 537 H ALA 112 H ALA 112 -9.928 8.718 -2.013 538 HA ALA 112 HA ALA 112 -11.559 10.909 -1.028 539 HB1 ALA 112 3HB ALA 112 -9.520 11.372 -2.327 540 HB2 ALA 112 1HB ALA 112 -10.947 12.003 -3.151 541 HB3 ALA 112 2HB ALA 112 -10.188 10.513 -3.715 542 HA PRO 113 HA PRO 113 -15.392 9.294 -2.772 543 HB2 PRO 113 2HB PRO 113 -16.842 11.642 -2.982 544 HB3 PRO 113 1HB PRO 113 -16.569 10.793 -1.455 545 HG2 PRO 113 2HG PRO 113 -15.092 13.159 -2.607 546 HG3 PRO 113 1HG PRO 113 -15.679 12.912 -0.947 547 HD2 PRO 113 2HD PRO 113 -13.086 12.515 -1.596 548 HD3 PRO 113 1HD PRO 113 -13.903 11.485 -0.396 549 H GLY 114 H GLY 114 -15.307 8.542 -4.807 550 HA2 GLY 114 2HA GLY 114 -15.944 8.892 -7.145 551 HA3 GLY 114 1HA GLY 114 -15.066 10.417 -7.116 552 H GLU 115 H GLU 115 -12.989 8.935 -5.418 553 HA GLU 115 HA GLU 115 -11.300 8.140 -7.673 554 HB2 GLU 115 2HB GLU 115 -10.503 9.766 -5.916 555 HB3 GLU 115 1HB GLU 115 -10.579 8.477 -4.726 556 HG2 GLU 115 2HG GLU 115 -8.291 8.881 -5.501 557 HG3 GLU 115 1HG GLU 115 -8.831 7.242 -5.869 558 H ASP 116 H ASP 116 -10.358 6.120 -7.913 559 HA ASP 116 HA ASP 116 -11.502 3.902 -6.358 560 HB2 ASP 116 2HB ASP 116 -10.558 2.417 -8.086 561 HB3 ASP 116 1HB ASP 116 -11.550 3.675 -8.809 562 H THR 117 H THR 117 -8.391 5.548 -6.884 563 HA THR 117 HA THR 117 -6.902 3.378 -5.623 564 HB THR 117 HB THR 117 -5.796 4.535 -7.476 565 HG1 THR 117 HG1 THR 117 -4.724 3.982 -5.147 566 HG21 THR 117 3HG2 THR 117 -5.716 7.008 -5.718 567 HG22 THR 117 1HG2 THR 117 -6.652 6.830 -7.201 568 HG23 THR 117 2HG2 THR 117 -4.885 6.815 -7.263 569 H PHE 118 H PHE 118 -6.465 3.184 -3.550 570 HA PHE 118 HA PHE 118 -7.317 5.087 -1.565 571 HB2 PHE 118 2HB PHE 118 -7.483 2.593 -1.245 572 HB3 PHE 118 1HB PHE 118 -5.728 2.491 -1.240 573 HD1 PHE 118 HD1 PHE 118 -4.425 3.326 0.715 574 HD2 PHE 118 HD2 PHE 118 -8.700 3.467 0.678 575 HE1 PHE 118 HE1 PHE 118 -4.438 3.716 3.142 576 HE2 PHE 118 HE2 PHE 118 -8.696 3.850 3.100 577 HZ PHE 118 HZ PHE 118 -6.572 3.978 4.333 578 H LYS 119 H LYS 119 -6.063 6.718 -0.829 579 HA LYS 119 HA LYS 119 -3.199 6.782 -1.491 580 HB2 LYS 119 2HB LYS 119 -3.358 9.189 -0.733 581 HB3 LYS 119 1HB LYS 119 -4.355 8.773 -2.123 582 HG2 LYS 119 2HG LYS 119 -6.320 8.566 -0.515 583 HG3 LYS 119 1HG LYS 119 -5.276 9.261 0.733 584 HD2 LYS 119 2HD LYS 119 -6.077 10.578 -1.895 585 HD3 LYS 119 1HD LYS 119 -6.717 10.977 -0.302 586 HE2 LYS 119 2HE LYS 119 -4.538 11.815 0.414 587 HE3 LYS 119 1HE LYS 119 -3.798 11.286 -1.096 588 HZ1 LYS 119 3HZ LYS 119 -4.273 13.647 -1.100 589 HZ2 LYS 119 1HZ LYS 119 -5.914 13.340 -0.866 590 HZ3 LYS 119 2HZ LYS 119 -5.164 12.852 -2.296 591 H ALA 120 H ALA 120 -2.005 5.665 -0.066 592 HA ALA 120 HA ALA 120 -2.712 5.491 2.754 593 HB1 ALA 120 3HB ALA 120 -0.382 4.259 1.245 594 HB2 ALA 120 1HB ALA 120 -1.922 3.476 1.601 595 HB3 ALA 120 2HB ALA 120 -0.828 3.908 2.918 596 H ARG 121 H ARG 121 -2.123 7.018 4.089 597 HA ARG 121 HA ARG 121 0.062 8.826 3.874 598 HB2 ARG 121 2HB ARG 121 -1.751 9.520 5.259 599 HB3 ARG 121 1HB ARG 121 -1.832 7.982 6.091 600 HG2 ARG 121 2HG ARG 121 -1.031 9.530 7.685 601 HG3 ARG 121 1HG ARG 121 0.361 8.569 7.218 602 HD2 ARG 121 2HD ARG 121 -0.238 11.378 6.226 603 HD3 ARG 121 1HD ARG 121 0.904 10.961 7.504 604 HE ARG 121 HE ARG 121 1.552 9.598 5.109 605 HH11 ARG 121 1HH1 ARG 121 1.836 12.771 6.580 606 HH12 ARG 121 2HH1 ARG 121 3.175 13.229 5.572 607 HH21 ARG 121 1HH2 ARG 121 3.264 10.205 3.802 608 HH22 ARG 121 2HH2 ARG 121 3.971 11.779 3.996 609 H THR 122 H THR 122 -0.389 5.644 5.390 610 HA THR 122 HA THR 122 2.451 5.529 6.154 611 HB THR 122 HB THR 122 0.340 4.483 8.090 612 HG1 THR 122 HG1 THR 122 0.011 6.434 8.913 613 HG21 THR 122 3HG2 THR 122 3.128 5.612 8.544 614 HG22 THR 122 1HG2 THR 122 2.758 3.880 8.431 615 HG23 THR 122 2HG2 THR 122 2.097 4.847 9.752 616 H LEU 123 H LEU 123 3.331 3.536 5.994 617 HA LEU 123 HA LEU 123 1.688 1.212 5.149 618 HB2 LEU 123 2HB LEU 123 2.912 2.141 3.216 619 HB3 LEU 123 1HB LEU 123 4.411 2.112 4.117 620 HG LEU 123 HG LEU 123 4.218 -0.439 4.175 621 HD11 LEU 123 1HD1 LEU 123 2.790 -1.520 2.496 622 HD12 LEU 123 2HD1 LEU 123 2.053 0.038 2.106 623 HD13 LEU 123 3HD1 LEU 123 1.836 -0.674 3.712 624 HD21 LEU 123 3HD2 LEU 123 5.757 0.738 2.659 625 HD22 LEU 123 1HD2 LEU 123 4.484 0.854 1.440 626 HD23 LEU 123 2HD2 LEU 123 5.116 -0.726 1.915 627 H MET 124 H MET 124 1.786 -0.179 6.812 628 HA MET 124 HA MET 124 4.396 -0.693 8.131 629 HB2 MET 124 2HB MET 124 2.705 0.298 9.709 630 HB3 MET 124 1HB MET 124 1.618 -1.047 9.366 631 HG2 MET 124 2HG MET 124 3.331 -2.612 10.287 632 HG3 MET 124 1HG MET 124 4.352 -1.231 10.680 633 HE1 MET 124 3HE MET 124 0.331 -2.218 12.736 634 HE2 MET 124 1HE MET 124 1.099 -3.230 11.514 635 HE3 MET 124 2HE MET 124 0.392 -1.680 11.060 636 H THR 125 H THR 125 5.146 -2.453 7.141 637 HA THR 125 HA THR 125 3.508 -4.410 5.850 638 HB THR 125 HB THR 125 5.666 -5.611 5.442 639 HG1 THR 125 HG1 THR 125 6.465 -4.236 7.601 640 HG21 THR 125 3HG2 THR 125 5.889 -2.603 4.958 641 HG22 THR 125 1HG2 THR 125 5.067 -3.759 3.903 642 HG23 THR 125 2HG2 THR 125 6.811 -3.853 4.124 643 H LYS 126 H LYS 126 2.726 -6.287 6.673 644 HA LYS 126 HA LYS 126 2.832 -6.756 9.523 645 HB2 LYS 126 2HB LYS 126 0.669 -6.889 8.407 646 HB3 LYS 126 1HB LYS 126 1.295 -8.022 7.213 647 HG2 LYS 126 2HG LYS 126 1.606 -9.704 9.048 648 HG3 LYS 126 1HG LYS 126 0.849 -8.562 10.169 649 HD2 LYS 126 2HD LYS 126 -1.249 -8.664 8.924 650 HD3 LYS 126 1HD LYS 126 -0.503 -9.655 7.661 651 HE2 LYS 126 2HE LYS 126 -1.864 -11.036 9.149 652 HE3 LYS 126 1HE LYS 126 -0.164 -11.472 9.311 653 HZ1 LYS 126 3HZ LYS 126 -0.088 -10.087 11.328 654 HZ2 LYS 126 1HZ LYS 126 -1.198 -11.358 11.455 655 HZ3 LYS 126 2HZ LYS 126 -1.743 -9.786 11.167 656 H CYS 127 H CYS 127 4.003 -8.146 6.521 657 HA CYS 127 HA CYS 127 5.538 -10.225 7.975 658 HB2 CYS 127 2HB CYS 127 3.981 -11.030 6.181 659 HB3 CYS 127 1HB CYS 127 4.870 -10.068 5.006 660 HG CYS 127 HG CYS 127 5.543 -12.755 4.692 661 HA PRO 128 HA PRO 128 8.422 -6.758 6.994 662 HB2 PRO 128 2HB PRO 128 10.056 -7.734 9.259 663 HB3 PRO 128 1HB PRO 128 9.291 -6.157 9.025 664 HG2 PRO 128 2HG PRO 128 8.347 -7.920 10.842 665 HG3 PRO 128 1HG PRO 128 7.258 -6.854 9.926 666 HD2 PRO 128 2HD PRO 128 7.930 -9.758 9.410 667 HD3 PRO 128 1HD PRO 128 6.340 -8.966 9.440 668 H LEU 129 H LEU 129 10.465 -9.259 8.349 669 HA LEU 129 HA LEU 129 11.757 -9.800 5.753 670 HB2 LEU 129 2HB LEU 129 13.218 -8.900 8.275 671 HB3 LEU 129 1HB LEU 129 14.026 -9.584 6.873 672 HG LEU 129 HG LEU 129 12.463 -6.965 6.874 673 HD11 LEU 129 1HD1 LEU 129 14.646 -5.847 6.694 674 HD12 LEU 129 2HD1 LEU 129 15.471 -7.396 6.883 675 HD13 LEU 129 3HD1 LEU 129 14.500 -6.742 8.205 676 HD21 LEU 129 3HD2 LEU 129 13.421 -6.590 4.634 677 HD22 LEU 129 1HD2 LEU 129 12.425 -8.046 4.669 678 HD23 LEU 129 2HD2 LEU 129 14.184 -8.183 4.681 679 H GLU 130 H GLU 130 11.368 -11.955 5.595 680 HA GLU 130 HA GLU 130 11.177 -13.773 7.777 681 HB2 GLU 130 2HB GLU 130 11.672 -14.354 4.819 682 HB3 GLU 130 1HB GLU 130 11.249 -15.567 6.029 683 HG2 GLU 130 2HG GLU 130 9.528 -13.258 5.075 684 HG3 GLU 130 1HG GLU 130 9.293 -14.967 4.722 Start of MODEL 16 1 H1 MET 43 1H MET 43 -19.629 11.019 28.998 2 H2 MET 43 2H MET 43 -19.000 9.458 29.158 3 H3 MET 43 3H MET 43 -20.236 9.977 30.185 4 HA MET 43 HA MET 43 -21.043 8.475 28.512 5 HB2 MET 43 2HB MET 43 -22.952 9.863 27.743 6 HB3 MET 43 1HB MET 43 -22.580 10.154 29.433 7 HG2 MET 43 2HG MET 43 -21.435 12.253 28.820 8 HG3 MET 43 1HG MET 43 -21.827 11.962 27.126 9 HE1 MET 43 3HE MET 43 -24.946 12.990 30.388 10 HE2 MET 43 1HE MET 43 -23.203 12.956 30.668 11 HE3 MET 43 2HE MET 43 -24.088 11.453 30.398 12 H ALA 44 H ALA 44 -20.718 7.651 26.515 13 HA ALA 44 HA ALA 44 -19.005 9.137 24.634 14 HB1 ALA 44 3HB ALA 44 -19.704 6.177 24.703 15 HB2 ALA 44 1HB ALA 44 -18.231 6.912 25.341 16 HB3 ALA 44 2HB ALA 44 -18.551 6.946 23.607 17 H THR 45 H THR 45 -20.055 10.242 23.100 18 HA THR 45 HA THR 45 -22.718 9.754 22.219 19 HB THR 45 HB THR 45 -22.152 11.541 20.486 20 HG1 THR 45 HG1 THR 45 -19.753 10.837 20.741 21 HG21 THR 45 3HG2 THR 45 -23.058 12.213 22.684 22 HG22 THR 45 1HG2 THR 45 -21.874 13.389 22.107 23 HG23 THR 45 2HG2 THR 45 -21.425 12.228 23.359 24 HA PRO 46 HA PRO 46 -21.755 6.500 19.149 25 HB2 PRO 46 2HB PRO 46 -24.416 7.354 18.022 26 HB3 PRO 46 1HB PRO 46 -23.848 5.736 18.461 27 HG2 PRO 46 2HG PRO 46 -25.585 7.017 20.025 28 HG3 PRO 46 1HG PRO 46 -24.259 6.078 20.748 29 HD2 PRO 46 2HD PRO 46 -24.478 9.068 20.358 30 HD3 PRO 46 1HD PRO 46 -23.904 8.158 21.775 31 H GLN 47 H GLN 47 -20.095 7.392 17.984 32 HA GLN 47 HA GLN 47 -20.720 9.053 15.615 33 HB2 GLN 47 2HB GLN 47 -18.395 9.455 17.559 34 HB3 GLN 47 1HB GLN 47 -18.524 10.254 15.995 35 HG2 GLN 47 2HG GLN 47 -20.535 11.429 16.725 36 HG3 GLN 47 1HG GLN 47 -20.497 10.581 18.272 37 HE21 GLN 47 1HE2 GLN 47 -20.339 13.475 17.677 38 HE22 GLN 47 2HE2 GLN 47 -18.895 14.018 18.444 39 H ASP 48 H ASP 48 -19.564 8.553 13.792 40 HA ASP 48 HA ASP 48 -17.823 6.214 13.708 41 HB2 ASP 48 2HB ASP 48 -18.608 8.183 11.500 42 HB3 ASP 48 1HB ASP 48 -17.731 6.673 11.257 43 H LYS 49 H LYS 49 -15.967 6.730 14.803 44 HA LYS 49 HA LYS 49 -14.665 9.330 14.421 45 HB2 LYS 49 2HB LYS 49 -14.061 7.083 16.387 46 HB3 LYS 49 1HB LYS 49 -13.262 8.659 16.363 47 HG2 LYS 49 2HG LYS 49 -15.461 9.753 16.793 48 HG3 LYS 49 1HG LYS 49 -16.215 8.155 16.898 49 HD2 LYS 49 2HD LYS 49 -14.693 7.620 18.815 50 HD3 LYS 49 1HD LYS 49 -14.047 9.260 18.732 51 HE2 LYS 49 2HE LYS 49 -16.275 10.174 19.251 52 HE3 LYS 49 1HE LYS 49 -16.946 8.541 19.297 53 HZ1 LYS 49 3HZ LYS 49 -16.509 9.240 21.508 54 HZ2 LYS 49 1HZ LYS 49 -14.927 9.703 21.131 55 HZ3 LYS 49 2HZ LYS 49 -15.356 8.074 21.116 56 H LEU 50 H LEU 50 -14.534 6.600 12.703 57 HA LEU 50 HA LEU 50 -11.711 6.279 12.285 58 HB2 LEU 50 2HB LEU 50 -14.081 5.467 10.549 59 HB3 LEU 50 1HB LEU 50 -12.415 5.004 10.230 60 HG LEU 50 HG LEU 50 -14.036 4.171 12.678 61 HD11 LEU 50 1HD1 LEU 50 -14.856 3.094 10.630 62 HD12 LEU 50 2HD1 LEU 50 -14.073 1.927 11.693 63 HD13 LEU 50 3HD1 LEU 50 -13.228 2.521 10.259 64 HD21 LEU 50 3HD2 LEU 50 -12.162 2.659 13.192 65 HD22 LEU 50 1HD2 LEU 50 -11.638 4.341 13.208 66 HD23 LEU 50 2HD2 LEU 50 -11.238 3.305 11.833 67 H HIS 51 H HIS 51 -11.265 8.566 12.181 68 HA HIS 51 HA HIS 51 -11.899 10.103 9.805 69 HB2 HIS 51 2HB HIS 51 -10.377 11.790 10.763 70 HB3 HIS 51 1HB HIS 51 -11.531 11.241 11.966 71 HD1 HIS 51 HD1 HIS 51 -10.608 10.036 14.038 72 HD2 HIS 51 HD2 HIS 51 -7.676 11.057 11.274 73 HE1 HIS 51 HE1 HIS 51 -8.420 9.729 15.228 74 HE2 HIS 51 HE2 HIS 51 -6.670 10.174 13.478 75 H THR 52 H THR 52 -9.638 7.746 10.731 76 HA THR 52 HA THR 52 -8.257 7.940 8.130 77 HB THR 52 HB THR 52 -7.140 6.803 10.744 78 HG1 THR 52 HG1 THR 52 -6.994 9.314 9.516 79 HG21 THR 52 3HG2 THR 52 -6.212 5.681 8.720 80 HG22 THR 52 1HG2 THR 52 -4.985 6.665 9.522 81 HG23 THR 52 2HG2 THR 52 -5.768 7.252 8.053 82 H VAL 53 H VAL 53 -8.117 5.965 7.017 83 HA VAL 53 HA VAL 53 -9.809 3.753 8.031 84 HB VAL 53 HB VAL 53 -9.368 4.524 5.102 85 HG11 VAL 53 1HG1 VAL 53 -11.298 2.521 6.339 86 HG12 VAL 53 2HG1 VAL 53 -9.844 2.125 5.418 87 HG13 VAL 53 3HG1 VAL 53 -11.200 2.930 4.624 88 HG21 VAL 53 3HG2 VAL 53 -10.690 6.281 6.207 89 HG22 VAL 53 1HG2 VAL 53 -11.811 5.069 6.837 90 HG23 VAL 53 2HG2 VAL 53 -11.706 5.360 5.099 91 H ARG 54 H ARG 54 -8.773 1.833 8.197 92 HA ARG 54 HA ARG 54 -6.118 1.449 6.973 93 HB2 ARG 54 2HB ARG 54 -7.601 0.070 9.230 94 HB3 ARG 54 1HB ARG 54 -6.209 -0.696 8.471 95 HG2 ARG 54 2HG ARG 54 -4.761 1.109 9.135 96 HG3 ARG 54 1HG ARG 54 -6.126 2.044 9.756 97 HD2 ARG 54 2HD ARG 54 -6.488 0.440 11.532 98 HD3 ARG 54 1HD ARG 54 -5.308 -0.677 10.833 99 HE ARG 54 HE ARG 54 -4.019 1.759 11.381 100 HH11 ARG 54 1HH1 ARG 54 -5.493 -0.856 13.222 101 HH12 ARG 54 2HH1 ARG 54 -4.394 -0.687 14.552 102 HH21 ARG 54 1HH2 ARG 54 -2.572 1.931 13.101 103 HH22 ARG 54 2HH2 ARG 54 -2.720 0.879 14.476 104 H LEU 55 H LEU 55 -5.696 -0.212 5.574 105 HA LEU 55 HA LEU 55 -7.844 -2.131 4.865 106 HB2 LEU 55 2HB LEU 55 -7.327 -0.088 3.171 107 HB3 LEU 55 1HB LEU 55 -6.008 -1.128 2.684 108 HG LEU 55 HG LEU 55 -8.974 -1.777 2.517 109 HD11 LEU 55 1HD1 LEU 55 -8.252 -0.139 0.852 110 HD12 LEU 55 2HD1 LEU 55 -8.698 -1.663 0.090 111 HD13 LEU 55 3HD1 LEU 55 -6.993 -1.238 0.285 112 HD21 LEU 55 3HD2 LEU 55 -8.390 -3.840 1.332 113 HD22 LEU 55 1HD2 LEU 55 -7.711 -3.846 2.958 114 HD23 LEU 55 2HD2 LEU 55 -6.669 -3.519 1.572 115 H PHE 56 H PHE 56 -7.090 -4.174 4.970 116 HA PHE 56 HA PHE 56 -4.181 -4.636 5.336 117 HB2 PHE 56 2HB PHE 56 -6.229 -6.553 6.485 118 HB3 PHE 56 1HB PHE 56 -4.630 -6.140 7.080 119 HD1 PHE 56 HD1 PHE 56 -4.329 -3.919 8.313 120 HD2 PHE 56 HD2 PHE 56 -8.177 -5.495 7.338 121 HE1 PHE 56 HE1 PHE 56 -5.357 -2.484 10.012 122 HE2 PHE 56 HE2 PHE 56 -9.199 -4.047 9.038 123 HZ PHE 56 HZ PHE 56 -7.790 -2.541 10.379 124 H GLY 57 H GLY 57 -3.531 -5.499 3.401 125 HA2 GLY 57 2HA GLY 57 -4.779 -8.031 2.517 126 HA3 GLY 57 1HA GLY 57 -4.614 -6.723 1.344 127 H THR 58 H THR 58 -3.236 -8.008 0.068 128 HA THR 58 HA THR 58 -0.454 -8.274 1.078 129 HB THR 58 HB THR 58 -1.867 -10.190 -0.839 130 HG1 THR 58 HG1 THR 58 -1.254 -11.584 1.136 131 HG21 THR 58 3HG2 THR 58 0.564 -10.034 -1.324 132 HG22 THR 58 1HG2 THR 58 0.157 -11.602 -0.619 133 HG23 THR 58 2HG2 THR 58 0.923 -10.360 0.372 134 H VAL 59 H VAL 59 1.162 -7.790 -0.383 135 HA VAL 59 HA VAL 59 0.518 -5.878 -2.468 136 HB VAL 59 HB VAL 59 3.269 -6.865 -1.532 137 HG11 VAL 59 1HG1 VAL 59 4.149 -4.802 -2.574 138 HG12 VAL 59 2HG1 VAL 59 2.536 -4.392 -3.156 139 HG13 VAL 59 3HG1 VAL 59 3.355 -5.831 -3.768 140 HG21 VAL 59 3HG2 VAL 59 3.389 -4.811 -0.168 141 HG22 VAL 59 1HG2 VAL 59 2.056 -5.852 0.342 142 HG23 VAL 59 2HG2 VAL 59 1.729 -4.406 -0.620 143 H ALA 60 H ALA 60 0.166 -6.556 -4.483 144 HA ALA 60 HA ALA 60 0.889 -9.123 -5.512 145 HB1 ALA 60 3HB ALA 60 -1.095 -7.922 -6.338 146 HB2 ALA 60 1HB ALA 60 0.008 -8.302 -7.663 147 HB3 ALA 60 2HB ALA 60 -0.067 -6.658 -7.015 148 H ALA 61 H ALA 61 2.408 -9.635 -7.096 149 HA ALA 61 HA ALA 61 4.851 -8.081 -7.272 150 HB1 ALA 61 3HB ALA 61 4.016 -10.643 -8.688 151 HB2 ALA 61 1HB ALA 61 4.925 -10.541 -7.180 152 HB3 ALA 61 2HB ALA 61 5.646 -9.959 -8.681 153 H ASP 62 H ASP 62 2.026 -8.745 -9.236 154 HA ASP 62 HA ASP 62 3.091 -7.375 -11.599 155 HB2 ASP 62 2HB ASP 62 1.925 -9.537 -11.924 156 HB3 ASP 62 1HB ASP 62 0.481 -8.893 -11.152 157 H GLY 63 H GLY 63 2.862 -5.274 -11.611 158 HA2 GLY 63 2HA GLY 63 1.505 -3.320 -11.926 159 HA3 GLY 63 1HA GLY 63 0.335 -3.953 -10.777 160 H LEU 64 H LEU 64 3.256 -4.569 -9.383 161 HA LEU 64 HA LEU 64 3.192 -2.365 -7.562 162 HB2 LEU 64 2HB LEU 64 4.105 -4.743 -7.145 163 HB3 LEU 64 1HB LEU 64 5.558 -4.231 -7.980 164 HG LEU 64 HG LEU 64 4.507 -2.899 -5.434 165 HD11 LEU 64 1HD1 LEU 64 6.241 -4.129 -4.212 166 HD12 LEU 64 2HD1 LEU 64 6.698 -4.980 -5.690 167 HD13 LEU 64 3HD1 LEU 64 5.103 -5.235 -4.981 168 HD21 LEU 64 3HD2 LEU 64 7.231 -2.658 -6.766 169 HD22 LEU 64 1HD2 LEU 64 6.765 -1.926 -5.226 170 HD23 LEU 64 2HD2 LEU 64 5.985 -1.411 -6.718 171 H THR 65 H THR 65 3.657 -0.399 -8.219 172 HA THR 65 HA THR 65 5.810 0.139 -10.172 173 HB THR 65 HB THR 65 3.306 1.853 -9.776 174 HG1 THR 65 HG1 THR 65 2.787 -0.319 -10.488 175 HG21 THR 65 3HG2 THR 65 5.270 1.664 -12.098 176 HG22 THR 65 1HG2 THR 65 5.219 2.961 -10.899 177 HG23 THR 65 2HG2 THR 65 3.871 2.734 -12.014 178 H MET 66 H MET 66 7.395 1.450 -9.335 179 HA MET 66 HA MET 66 7.007 2.856 -6.805 180 HB2 MET 66 2HB MET 66 9.427 2.643 -8.646 181 HB3 MET 66 1HB MET 66 9.420 3.556 -7.138 182 HG2 MET 66 2HG MET 66 8.964 0.574 -7.400 183 HG3 MET 66 1HG MET 66 10.441 1.354 -6.834 184 HE1 MET 66 3HE MET 66 8.919 -0.926 -5.128 185 HE2 MET 66 1HE MET 66 8.977 -0.218 -3.514 186 HE3 MET 66 2HE MET 66 10.389 -0.119 -4.563 187 H LEU 67 H LEU 67 7.402 5.174 -6.631 188 HA LEU 67 HA LEU 67 5.913 6.595 -8.712 189 HB2 LEU 67 2HB LEU 67 6.780 7.412 -5.926 190 HB3 LEU 67 1HB LEU 67 5.861 8.424 -7.026 191 HG LEU 67 HG LEU 67 4.949 5.788 -5.818 192 HD11 LEU 67 1HD1 LEU 67 3.912 8.591 -5.344 193 HD12 LEU 67 2HD1 LEU 67 4.866 7.622 -4.221 194 HD13 LEU 67 3HD1 LEU 67 3.238 7.107 -4.661 195 HD21 LEU 67 3HD2 LEU 67 4.124 5.975 -8.130 196 HD22 LEU 67 1HD2 LEU 67 3.422 7.557 -7.765 197 HD23 LEU 67 2HD2 LEU 67 2.804 6.109 -6.966 198 H ASP 68 H ASP 68 8.393 5.909 -9.462 199 HA ASP 68 HA ASP 68 10.604 6.459 -9.933 200 HB2 ASP 68 2HB ASP 68 8.916 8.334 -11.622 201 HB3 ASP 68 1HB ASP 68 10.549 7.808 -12.016 202 H GLY 69 H GLY 69 9.333 9.757 -10.353 203 HA2 GLY 69 2HA GLY 69 11.707 10.888 -9.045 204 HA3 GLY 69 1HA GLY 69 10.531 11.743 -10.036 205 H ALA 70 H ALA 70 9.839 9.629 -7.316 206 HA ALA 70 HA ALA 70 9.402 11.690 -5.357 207 HB1 ALA 70 3HB ALA 70 7.320 11.937 -6.674 208 HB2 ALA 70 1HB ALA 70 6.967 11.272 -5.076 209 HB3 ALA 70 2HB ALA 70 6.987 10.215 -6.489 210 HA PRO 71 HA PRO 71 10.293 7.896 -2.966 211 HB2 PRO 71 2HB PRO 71 9.485 9.485 -0.569 212 HB3 PRO 71 1HB PRO 71 11.032 8.702 -0.924 213 HG2 PRO 71 2HG PRO 71 10.775 11.386 -1.004 214 HG3 PRO 71 1HG PRO 71 11.827 10.522 -2.146 215 HD2 PRO 71 2HD PRO 71 9.035 11.599 -2.590 216 HD3 PRO 71 1HD PRO 71 10.466 11.708 -3.642 217 H GLY 72 H GLY 72 8.786 6.334 -3.106 218 HA2 GLY 72 2HA GLY 72 6.685 5.768 -1.558 219 HA3 GLY 72 1HA GLY 72 5.940 6.879 -2.704 220 H VAL 73 H VAL 73 4.665 4.817 -2.935 221 HA VAL 73 HA VAL 73 5.471 3.389 -5.314 222 HB VAL 73 HB VAL 73 6.523 1.983 -3.596 223 HG11 VAL 73 1HG1 VAL 73 5.198 2.604 -1.626 224 HG12 VAL 73 2HG1 VAL 73 5.239 0.850 -1.805 225 HG13 VAL 73 3HG1 VAL 73 3.793 1.746 -2.269 226 HG21 VAL 73 3HG2 VAL 73 4.019 0.632 -4.676 227 HG22 VAL 73 1HG2 VAL 73 5.478 -0.186 -4.116 228 HG23 VAL 73 2HG2 VAL 73 5.540 0.842 -5.547 229 H ARG 74 H ARG 74 3.681 3.133 -6.565 230 HA ARG 74 HA ARG 74 1.026 2.888 -5.313 231 HB2 ARG 74 2HB ARG 74 1.219 4.656 -7.059 232 HB3 ARG 74 1HB ARG 74 1.696 3.430 -8.233 233 HG2 ARG 74 2HG ARG 74 -0.510 2.316 -7.949 234 HG3 ARG 74 1HG ARG 74 -0.984 3.573 -6.800 235 HD2 ARG 74 2HD ARG 74 -0.299 4.008 -9.731 236 HD3 ARG 74 1HD ARG 74 -1.925 3.964 -9.050 237 HE ARG 74 HE ARG 74 -1.317 5.976 -7.744 238 HH11 ARG 74 1HH1 ARG 74 0.582 5.288 -10.627 239 HH12 ARG 74 2HH1 ARG 74 0.955 6.954 -10.916 240 HH21 ARG 74 1HH2 ARG 74 -0.785 8.149 -8.136 241 HH22 ARG 74 2HH2 ARG 74 0.185 8.570 -9.509 242 H PHE 75 H PHE 75 0.038 0.976 -5.349 243 HA PHE 75 HA PHE 75 0.921 -1.276 -6.986 244 HB2 PHE 75 2HB PHE 75 1.570 -2.718 -5.091 245 HB3 PHE 75 1HB PHE 75 2.597 -1.290 -5.118 246 HD1 PHE 75 HD2 PHE 75 2.102 0.602 -3.448 247 HD2 PHE 75 HD1 PHE 75 0.273 -3.256 -3.142 248 HE1 PHE 75 HE2 PHE 75 1.506 1.062 -1.108 249 HE2 PHE 75 HE1 PHE 75 -0.324 -2.781 -0.809 250 HZ PHE 75 HZ PHE 75 0.287 -0.631 0.215 251 H ARG 76 H ARG 76 -0.541 -3.207 -6.541 252 HA ARG 76 HA ARG 76 -3.194 -2.201 -5.712 253 HB2 ARG 76 2HB ARG 76 -4.221 -3.953 -6.980 254 HB3 ARG 76 1HB ARG 76 -3.032 -3.185 -8.018 255 HG2 ARG 76 2HG ARG 76 -1.506 -5.083 -7.707 256 HG3 ARG 76 1HG ARG 76 -2.646 -5.829 -6.589 257 HD2 ARG 76 2HD ARG 76 -4.298 -5.592 -8.709 258 HD3 ARG 76 1HD ARG 76 -2.757 -5.648 -9.580 259 HE ARG 76 HE ARG 76 -2.977 -7.719 -7.607 260 HH11 ARG 76 1HH1 ARG 76 -3.870 -6.915 -10.899 261 HH12 ARG 76 2HH1 ARG 76 -4.167 -8.565 -11.345 262 HH21 ARG 76 1HH2 ARG 76 -3.408 -9.852 -8.186 263 HH22 ARG 76 2HH2 ARG 76 -3.905 -10.217 -9.806 264 H LEU 77 H LEU 77 -3.502 -2.510 -3.603 265 HA LEU 77 HA LEU 77 -2.535 -4.809 -2.157 266 HB2 LEU 77 2HB LEU 77 -2.920 -2.462 -1.173 267 HB3 LEU 77 1HB LEU 77 -4.639 -2.823 -1.218 268 HG LEU 77 HG LEU 77 -4.229 -4.796 0.290 269 HD11 LEU 77 1HD1 LEU 77 -1.395 -3.714 0.420 270 HD12 LEU 77 2HD1 LEU 77 -1.907 -5.258 -0.269 271 HD13 LEU 77 3HD1 LEU 77 -2.070 -4.974 1.458 272 HD21 LEU 77 3HD2 LEU 77 -3.894 -3.523 2.351 273 HD22 LEU 77 1HD2 LEU 77 -4.955 -2.647 1.250 274 HD23 LEU 77 2HD2 LEU 77 -3.272 -2.145 1.435 275 H GLU 78 H GLU 78 -3.381 -6.658 -2.666 276 HA GLU 78 HA GLU 78 -5.911 -7.013 -3.947 277 HB2 GLU 78 2HB GLU 78 -3.996 -9.116 -2.854 278 HB3 GLU 78 1HB GLU 78 -5.335 -9.408 -3.967 279 HG2 GLU 78 2HG GLU 78 -4.204 -7.888 -5.627 280 HG3 GLU 78 1HG GLU 78 -2.828 -7.789 -4.528 281 H ASP 79 H ASP 79 -7.829 -7.246 -3.030 282 HA ASP 79 HA ASP 79 -8.197 -7.381 -0.175 283 HB2 ASP 79 2HB ASP 79 -9.604 -5.921 -1.606 284 HB3 ASP 79 1HB ASP 79 -10.245 -7.337 -2.438 285 H LYS 80 H LYS 80 -9.407 -8.989 0.963 286 HA LYS 80 HA LYS 80 -9.046 -11.708 -0.161 287 HB2 LYS 80 2HB LYS 80 -9.052 -10.879 2.768 288 HB3 LYS 80 1HB LYS 80 -8.642 -12.465 2.122 289 HG2 LYS 80 2HG LYS 80 -7.064 -9.892 1.798 290 HG3 LYS 80 1HG LYS 80 -6.617 -11.302 2.763 291 HD2 LYS 80 2HD LYS 80 -6.444 -12.646 0.656 292 HD3 LYS 80 1HD LYS 80 -6.827 -11.197 -0.278 293 HE2 LYS 80 2HE LYS 80 -4.414 -11.587 -0.273 294 HE3 LYS 80 1HE LYS 80 -4.782 -10.104 0.614 295 HZ1 LYS 80 3HZ LYS 80 -4.089 -12.761 1.749 296 HZ2 LYS 80 1HZ LYS 80 -4.667 -11.470 2.680 297 HZ3 LYS 80 2HZ LYS 80 -3.204 -11.327 1.859 298 H ASP 81 H ASP 81 -11.461 -9.513 0.852 299 HA ASP 81 HA ASP 81 -13.435 -11.530 1.619 300 HB2 ASP 81 2HB ASP 81 -13.841 -8.572 0.998 301 HB3 ASP 81 1HB ASP 81 -15.027 -9.645 1.743 302 H ASN 82 H ASN 82 -12.415 -9.731 -1.163 303 HA ASN 82 HA ASN 82 -14.046 -11.355 -2.972 304 HB2 ASN 82 2HB ASN 82 -15.375 -9.257 -2.549 305 HB3 ASN 82 1HB ASN 82 -14.000 -8.293 -3.086 306 HD21 ASN 82 1HD2 ASN 82 -16.580 -10.429 -4.071 307 HD22 ASN 82 2HD2 ASN 82 -16.480 -10.099 -5.761 308 H THR 83 H THR 83 -12.466 -12.273 -4.139 309 HA THR 83 HA THR 83 -9.825 -11.180 -4.371 310 HB THR 83 HB THR 83 -10.212 -13.619 -4.150 311 HG1 THR 83 HG1 THR 83 -8.526 -12.416 -5.820 312 HG21 THR 83 3HG2 THR 83 -11.289 -13.506 -6.995 313 HG22 THR 83 1HG2 THR 83 -12.244 -13.860 -5.551 314 HG23 THR 83 2HG2 THR 83 -10.973 -14.972 -6.066 315 H SER 84 H SER 84 -12.666 -10.712 -6.188 316 HA SER 84 HA SER 84 -11.383 -10.230 -8.765 317 HB2 SER 84 2HB SER 84 -13.687 -11.226 -8.618 318 HB3 SER 84 1HB SER 84 -14.274 -9.732 -7.897 319 HG SER 84 HG SER 84 -12.902 -9.352 -10.256 320 H LYS 85 H LYS 85 -11.832 -8.525 -5.871 321 HA LYS 85 HA LYS 85 -11.552 -5.874 -7.172 322 HB2 LYS 85 2HB LYS 85 -13.487 -6.003 -5.653 323 HB3 LYS 85 1HB LYS 85 -12.466 -6.597 -4.349 324 HG2 LYS 85 2HG LYS 85 -11.289 -4.456 -4.238 325 HG3 LYS 85 1HG LYS 85 -12.196 -3.849 -5.625 326 HD2 LYS 85 2HD LYS 85 -13.562 -4.714 -3.052 327 HD3 LYS 85 1HD LYS 85 -12.932 -3.081 -3.265 328 HE2 LYS 85 2HE LYS 85 -15.328 -3.125 -3.743 329 HE3 LYS 85 1HE LYS 85 -14.439 -2.775 -5.219 330 HZ1 LYS 85 3HZ LYS 85 -16.261 -4.347 -5.549 331 HZ2 LYS 85 1HZ LYS 85 -15.528 -5.432 -4.478 332 HZ3 LYS 85 2HZ LYS 85 -14.764 -5.038 -5.929 333 H THR 86 H THR 86 -9.407 -5.506 -7.417 334 HA THR 86 HA THR 86 -7.686 -5.624 -4.996 335 HB THR 86 HB THR 86 -5.718 -5.508 -6.490 336 HG1 THR 86 HG1 THR 86 -7.575 -5.676 -8.644 337 HG21 THR 86 3HG2 THR 86 -7.591 -7.730 -7.391 338 HG22 THR 86 1HG2 THR 86 -6.540 -7.784 -5.973 339 HG23 THR 86 2HG2 THR 86 -5.838 -7.717 -7.590 340 H VAL 87 H VAL 87 -7.155 -3.683 -4.153 341 HA VAL 87 HA VAL 87 -8.144 -1.247 -5.521 342 HB VAL 87 HB VAL 87 -7.414 -1.626 -2.572 343 HG11 VAL 87 1HG1 VAL 87 -8.558 0.540 -2.184 344 HG12 VAL 87 2HG1 VAL 87 -8.804 0.717 -3.924 345 HG13 VAL 87 3HG1 VAL 87 -7.170 0.720 -3.264 346 HG21 VAL 87 3HG2 VAL 87 -9.390 -2.987 -3.156 347 HG22 VAL 87 1HG2 VAL 87 -10.177 -1.569 -3.860 348 HG23 VAL 87 2HG2 VAL 87 -9.848 -1.629 -2.128 349 H TRP 88 H TRP 88 -6.744 0.441 -6.014 350 HA TRP 88 HA TRP 88 -3.887 -0.185 -5.946 351 HB2 TRP 88 2HB TRP 88 -5.510 1.939 -7.429 352 HB3 TRP 88 1HB TRP 88 -3.745 1.881 -7.459 353 HD1 TRP 88 HD1 TRP 88 -6.815 -0.024 -8.799 354 HE1 TRP 88 HE1 TRP 88 -6.025 -1.716 -10.564 355 HE3 TRP 88 HE3 TRP 88 -1.768 0.480 -8.195 356 HZ2 TRP 88 HZ2 TRP 88 -3.591 -2.731 -11.551 357 HZ3 TRP 88 HZ3 TRP 88 -0.273 -0.895 -9.580 358 HH2 TRP 88 HH2 TRP 88 -1.164 -2.467 -11.225 359 H VAL 89 H VAL 89 -2.413 1.132 -4.859 360 HA VAL 89 HA VAL 89 -3.587 2.888 -2.795 361 HB VAL 89 HB VAL 89 -1.327 0.874 -2.391 362 HG11 VAL 89 1HG1 VAL 89 -1.498 1.479 0.013 363 HG12 VAL 89 2HG1 VAL 89 -2.703 2.708 -0.385 364 HG13 VAL 89 3HG1 VAL 89 -1.048 2.868 -0.979 365 HG21 VAL 89 3HG2 VAL 89 -3.480 -0.284 -2.645 366 HG22 VAL 89 1HG2 VAL 89 -4.206 0.749 -1.411 367 HG23 VAL 89 2HG2 VAL 89 -2.923 -0.383 -0.974 368 H LEU 90 H LEU 90 -2.826 4.870 -3.098 369 HA LEU 90 HA LEU 90 -0.145 5.313 -4.216 370 HB2 LEU 90 2HB LEU 90 -2.125 6.624 -5.067 371 HB3 LEU 90 1HB LEU 90 -2.306 7.332 -3.470 372 HG LEU 90 HG LEU 90 -0.049 8.387 -3.681 373 HD11 LEU 90 1HD1 LEU 90 -0.066 7.271 -6.508 374 HD12 LEU 90 2HD1 LEU 90 1.014 6.776 -5.198 375 HD13 LEU 90 3HD1 LEU 90 1.110 8.410 -5.848 376 HD21 LEU 90 3HD2 LEU 90 -0.672 10.100 -5.328 377 HD22 LEU 90 1HD2 LEU 90 -2.046 9.668 -4.313 378 HD23 LEU 90 2HD2 LEU 90 -1.940 9.047 -5.965 379 H TYR 91 H TYR 91 1.137 4.673 -2.567 380 HA TYR 91 HA TYR 91 1.038 6.080 0.032 381 HB2 TYR 91 2HB TYR 91 1.387 3.671 0.279 382 HB3 TYR 91 1HB TYR 91 2.708 3.692 -0.888 383 HD1 TYR 91 HD1 TYR 91 1.826 5.560 2.278 384 HD2 TYR 91 HD2 TYR 91 4.855 3.455 0.104 385 HE1 TYR 91 HE1 TYR 91 3.413 5.956 4.108 386 HE2 TYR 91 HE2 TYR 91 6.440 3.848 1.943 387 HH TYR 91 HH TYR 91 6.771 5.393 3.812 388 H LYS 92 H LYS 92 2.165 7.927 0.136 389 HA LYS 92 HA LYS 92 4.690 8.233 -1.387 390 HB2 LYS 92 2HB LYS 92 2.957 10.352 -0.056 391 HB3 LYS 92 1HB LYS 92 4.442 10.658 -0.963 392 HG2 LYS 92 2HG LYS 92 3.385 9.837 -3.020 393 HG3 LYS 92 1HG LYS 92 1.911 9.435 -2.128 394 HD2 LYS 92 2HD LYS 92 1.646 11.858 -1.554 395 HD3 LYS 92 1HD LYS 92 3.074 12.218 -2.530 396 HE2 LYS 92 2HE LYS 92 0.533 10.942 -3.593 397 HE3 LYS 92 1HE LYS 92 0.939 12.657 -3.731 398 HZ1 LYS 92 3HZ LYS 92 2.545 10.427 -4.861 399 HZ2 LYS 92 1HZ LYS 92 2.875 12.076 -5.018 400 HZ3 LYS 92 2HZ LYS 92 1.493 11.421 -5.732 401 H GLY 93 H GLY 93 6.414 7.782 -0.237 402 HA2 GLY 93 2HA GLY 93 7.366 8.914 2.045 403 HA3 GLY 93 1HA GLY 93 6.438 7.536 2.647 404 H ALA 94 H ALA 94 8.993 7.442 3.260 405 HA ALA 94 HA ALA 94 10.744 6.249 1.376 406 HB1 ALA 94 3HB ALA 94 12.144 5.686 3.328 407 HB2 ALA 94 1HB ALA 94 10.811 6.087 4.416 408 HB3 ALA 94 2HB ALA 94 11.556 7.347 3.434 409 H VAL 95 H VAL 95 10.346 4.356 0.430 410 HA VAL 95 HA VAL 95 8.650 2.301 1.557 411 HB VAL 95 HB VAL 95 10.254 2.362 -1.046 412 HG11 VAL 95 1HG1 VAL 95 8.874 0.432 -1.769 413 HG12 VAL 95 2HG1 VAL 95 8.140 0.350 -0.167 414 HG13 VAL 95 3HG1 VAL 95 9.864 0.026 -0.365 415 HG21 VAL 95 3HG2 VAL 95 8.076 2.790 -2.137 416 HG22 VAL 95 1HG2 VAL 95 8.472 4.060 -0.978 417 HG23 VAL 95 2HG2 VAL 95 7.284 2.823 -0.560 418 HA PRO 96 HA PRO 96 12.336 0.325 3.423 419 HB2 PRO 96 2HB PRO 96 11.070 -1.523 4.950 420 HB3 PRO 96 1HB PRO 96 11.037 0.195 5.374 421 HG2 PRO 96 2HG PRO 96 8.937 -1.435 3.938 422 HG3 PRO 96 1HG PRO 96 8.735 -0.294 5.287 423 HD2 PRO 96 2HD PRO 96 8.276 0.411 2.672 424 HD3 PRO 96 1HD PRO 96 8.848 1.576 3.893 425 H ASP 97 H ASP 97 13.170 -1.948 3.499 426 HA ASP 97 HA ASP 97 12.784 -3.392 1.018 427 HB2 ASP 97 2HB ASP 97 15.030 -3.277 2.102 428 HB3 ASP 97 1HB ASP 97 14.406 -4.118 3.510 429 H THR 98 H THR 98 11.463 -3.386 4.180 430 HA THR 98 HA THR 98 10.544 -6.040 4.499 431 HB THR 98 HB THR 98 9.217 -3.539 5.642 432 HG1 THR 98 HG1 THR 98 11.058 -4.352 7.338 433 HG21 THR 98 3HG2 THR 98 8.175 -5.718 6.182 434 HG22 THR 98 1HG2 THR 98 8.877 -4.960 7.612 435 HG23 THR 98 2HG2 THR 98 9.720 -6.287 6.818 436 H PHE 99 H PHE 99 9.284 -3.148 2.969 437 HA PHE 99 HA PHE 99 6.874 -4.340 1.905 438 HB2 PHE 99 2HB PHE 99 7.067 -1.859 2.187 439 HB3 PHE 99 1HB PHE 99 8.359 -1.828 0.990 440 HD1 PHE 99 HD2 PHE 99 7.839 -2.209 -1.435 441 HD2 PHE 99 HD1 PHE 99 4.733 -2.116 1.504 442 HE1 PHE 99 HE2 PHE 99 6.157 -1.983 -3.211 443 HE2 PHE 99 HE1 PHE 99 3.066 -1.895 -0.282 444 HZ PHE 99 HZ PHE 99 3.774 -1.828 -2.640 445 H LYS 100 H LYS 100 6.847 -5.721 0.242 446 HA LYS 100 HA LYS 100 8.734 -5.766 -1.920 447 HB2 LYS 100 2HB LYS 100 9.716 -8.002 -1.419 448 HB3 LYS 100 1HB LYS 100 10.163 -6.810 -0.208 449 HG2 LYS 100 2HG LYS 100 8.492 -7.732 1.347 450 HG3 LYS 100 1HG LYS 100 7.982 -8.893 0.124 451 HD2 LYS 100 2HD LYS 100 9.396 -10.072 1.661 452 HD3 LYS 100 1HD LYS 100 10.311 -9.881 0.172 453 HE2 LYS 100 2HE LYS 100 10.648 -8.054 2.576 454 HE3 LYS 100 1HE LYS 100 11.601 -9.514 2.339 455 HZ1 LYS 100 3HZ LYS 100 12.415 -8.559 0.247 456 HZ2 LYS 100 1HZ LYS 100 12.805 -7.597 1.584 457 HZ3 LYS 100 2HZ LYS 100 11.549 -7.139 0.553 458 HA PRO 101 HA PRO 101 5.324 -7.989 -3.961 459 HB2 PRO 101 2HB PRO 101 7.448 -9.710 -5.232 460 HB3 PRO 101 1HB PRO 101 6.154 -8.774 -5.993 461 HG2 PRO 101 2HG PRO 101 8.693 -7.928 -6.082 462 HG3 PRO 101 1HG PRO 101 7.351 -6.780 -5.895 463 HD2 PRO 101 2HD PRO 101 9.281 -7.802 -3.825 464 HD3 PRO 101 1HD PRO 101 8.587 -6.175 -4.016 465 H GLY 102 H GLY 102 4.223 -9.257 -2.470 466 HA2 GLY 102 2HA GLY 102 3.776 -11.695 -2.136 467 HA3 GLY 102 1HA GLY 102 5.449 -11.846 -1.625 468 H VAL 103 H VAL 103 5.095 -9.088 -0.224 469 HA VAL 103 HA VAL 103 4.468 -10.339 2.343 470 HB VAL 103 HB VAL 103 6.459 -8.740 1.928 471 HG11 VAL 103 1HG1 VAL 103 6.085 -6.332 2.188 472 HG12 VAL 103 2HG1 VAL 103 4.341 -6.578 2.257 473 HG13 VAL 103 3HG1 VAL 103 5.221 -6.928 0.770 474 HG21 VAL 103 3HG2 VAL 103 6.377 -7.824 4.219 475 HG22 VAL 103 1HG2 VAL 103 5.822 -9.500 4.173 476 HG23 VAL 103 2HG2 VAL 103 4.649 -8.188 4.306 477 H GLU 104 H GLU 104 2.829 -9.656 3.783 478 HA GLU 104 HA GLU 104 0.546 -8.204 2.691 479 HB2 GLU 104 2HB GLU 104 1.023 -9.480 5.425 480 HB3 GLU 104 1HB GLU 104 -0.483 -8.699 4.937 481 HG2 GLU 104 2HG GLU 104 -0.619 -10.389 3.043 482 HG3 GLU 104 1HG GLU 104 0.740 -11.230 3.797 483 H VAL 105 H VAL 105 0.207 -6.058 3.007 484 HA VAL 105 HA VAL 105 1.674 -4.691 5.194 485 HB VAL 105 HB VAL 105 1.713 -2.608 3.900 486 HG11 VAL 105 1HG1 VAL 105 3.670 -4.034 3.768 487 HG12 VAL 105 2HG1 VAL 105 3.430 -3.214 2.232 488 HG13 VAL 105 3HG1 VAL 105 2.993 -4.916 2.397 489 HG21 VAL 105 3HG2 VAL 105 1.159 -2.526 1.491 490 HG22 VAL 105 1HG2 VAL 105 -0.262 -2.882 2.476 491 HG23 VAL 105 2HG2 VAL 105 0.531 -4.175 1.574 492 H ILE 106 H ILE 106 0.633 -3.221 6.384 493 HA ILE 106 HA ILE 106 -2.300 -2.990 6.225 494 HB ILE 106 HB ILE 106 -0.352 -2.615 8.561 495 HG12 ILE 106 2HG1 ILE 106 -2.495 -4.765 8.169 496 HG13 ILE 106 1HG1 ILE 106 -0.777 -5.005 7.873 497 HG21 ILE 106 1HG2 ILE 106 -2.343 -2.294 10.005 498 HG22 ILE 106 2HG2 ILE 106 -3.380 -2.299 8.581 499 HG23 ILE 106 3HG2 ILE 106 -2.193 -1.013 8.802 500 HD11 ILE 106 3HD1 ILE 106 -1.439 -5.947 9.995 501 HD12 ILE 106 1HD1 ILE 106 -2.045 -4.386 10.545 502 HD13 ILE 106 2HD1 ILE 106 -0.317 -4.613 10.255 503 H ILE 107 H ILE 107 -2.718 -1.178 5.103 504 HA ILE 107 HA ILE 107 -0.943 1.180 5.281 505 HB ILE 107 HB ILE 107 -2.115 2.002 3.269 506 HG12 ILE 107 2HG1 ILE 107 -3.725 -0.595 3.380 507 HG13 ILE 107 1HG1 ILE 107 -4.365 1.008 3.707 508 HG21 ILE 107 1HG2 ILE 107 -1.284 0.334 1.635 509 HG22 ILE 107 2HG2 ILE 107 -1.140 -0.859 2.928 510 HG23 ILE 107 3HG2 ILE 107 -0.130 0.587 2.949 511 HD11 ILE 107 3HD1 ILE 107 -3.347 -0.015 1.069 512 HD12 ILE 107 1HD1 ILE 107 -3.931 1.624 1.373 513 HD13 ILE 107 2HD1 ILE 107 -5.024 0.252 1.539 514 H GLU 108 H GLU 108 -1.731 3.169 5.901 515 HA GLU 108 HA GLU 108 -4.448 3.331 7.079 516 HB2 GLU 108 2HB GLU 108 -1.924 4.557 8.283 517 HB3 GLU 108 1HB GLU 108 -3.533 4.524 9.001 518 HG2 GLU 108 2HG GLU 108 -3.364 2.144 9.394 519 HG3 GLU 108 1HG GLU 108 -1.865 2.034 8.480 520 H GLY 109 H GLY 109 -5.514 4.947 6.107 521 HA2 GLY 109 2HA GLY 109 -4.643 7.588 5.797 522 HA3 GLY 109 1HA GLY 109 -4.429 6.771 4.249 523 H GLY 110 H GLY 110 -6.194 6.542 2.942 524 HA2 GLY 110 2HA GLY 110 -8.698 5.680 3.714 525 HA3 GLY 110 1HA GLY 110 -8.793 7.441 3.704 526 H LEU 111 H LEU 111 -10.248 5.704 2.010 527 HA LEU 111 HA LEU 111 -9.171 6.120 -0.690 528 HB2 LEU 111 2HB LEU 111 -10.250 3.968 -0.130 529 HB3 LEU 111 1HB LEU 111 -11.721 4.802 0.330 530 HG LEU 111 HG LEU 111 -12.046 5.506 -2.052 531 HD11 LEU 111 1HD1 LEU 111 -9.712 5.511 -2.783 532 HD12 LEU 111 2HD1 LEU 111 -10.699 4.499 -3.831 533 HD13 LEU 111 3HD1 LEU 111 -9.641 3.754 -2.630 534 HD21 LEU 111 3HD2 LEU 111 -12.726 3.303 -2.923 535 HD22 LEU 111 1HD2 LEU 111 -13.167 3.474 -1.224 536 HD23 LEU 111 2HD2 LEU 111 -11.767 2.500 -1.677 537 H ALA 112 H ALA 112 -9.722 7.904 -1.861 538 HA ALA 112 HA ALA 112 -11.684 9.808 -0.861 539 HB1 ALA 112 3HB ALA 112 -9.586 10.645 -1.837 540 HB2 ALA 112 1HB ALA 112 -10.971 11.214 -2.771 541 HB3 ALA 112 2HB ALA 112 -9.975 9.888 -3.380 542 HA PRO 113 HA PRO 113 -15.153 8.035 -3.219 543 HB2 PRO 113 2HB PRO 113 -16.129 10.888 -3.287 544 HB3 PRO 113 1HB PRO 113 -16.983 9.422 -2.785 545 HG2 PRO 113 2HG PRO 113 -16.086 11.116 -0.950 546 HG3 PRO 113 1HG PRO 113 -15.913 9.364 -0.690 547 HD2 PRO 113 2HD PRO 113 -13.831 11.362 -1.591 548 HD3 PRO 113 1HD PRO 113 -13.678 10.032 -0.419 549 H GLY 114 H GLY 114 -13.374 10.849 -4.343 550 HA2 GLY 114 2HA GLY 114 -14.355 10.623 -7.107 551 HA3 GLY 114 1HA GLY 114 -13.375 11.916 -6.438 552 H GLU 115 H GLU 115 -11.688 9.477 -5.266 553 HA GLU 115 HA GLU 115 -10.088 8.968 -7.726 554 HB2 GLU 115 2HB GLU 115 -9.090 9.301 -4.852 555 HB3 GLU 115 1HB GLU 115 -8.076 8.818 -6.217 556 HG2 GLU 115 2HG GLU 115 -8.478 10.954 -7.316 557 HG3 GLU 115 1HG GLU 115 -9.565 11.452 -6.014 558 H ASP 116 H ASP 116 -9.962 6.896 -8.294 559 HA ASP 116 HA ASP 116 -11.086 4.741 -6.893 560 HB2 ASP 116 2HB ASP 116 -9.013 4.704 -9.127 561 HB3 ASP 116 1HB ASP 116 -9.904 3.291 -8.573 562 H THR 117 H THR 117 -7.937 6.185 -6.644 563 HA THR 117 HA THR 117 -6.668 3.811 -5.525 564 HB THR 117 HB THR 117 -5.291 5.180 -6.987 565 HG1 THR 117 HG1 THR 117 -4.522 4.255 -4.752 566 HG21 THR 117 3HG2 THR 117 -4.532 7.435 -6.377 567 HG22 THR 117 1HG2 THR 117 -5.604 7.435 -4.978 568 HG23 THR 117 2HG2 THR 117 -6.281 7.405 -6.608 569 H PHE 118 H PHE 118 -6.534 3.336 -3.420 570 HA PHE 118 HA PHE 118 -7.484 5.020 -1.297 571 HB2 PHE 118 2HB PHE 118 -7.609 2.464 -1.347 572 HB3 PHE 118 1HB PHE 118 -5.870 2.421 -1.109 573 HD1 PHE 118 HD1 PHE 118 -5.006 3.760 1.069 574 HD2 PHE 118 HD2 PHE 118 -8.997 2.324 0.520 575 HE1 PHE 118 HE1 PHE 118 -5.347 3.772 3.500 576 HE2 PHE 118 HE2 PHE 118 -9.326 2.340 2.950 577 HZ PHE 118 HZ PHE 118 -7.510 3.067 4.439 578 H LYS 119 H LYS 119 -6.211 6.604 -0.463 579 HA LYS 119 HA LYS 119 -3.332 6.673 -1.127 580 HB2 LYS 119 2HB LYS 119 -5.195 8.904 -0.197 581 HB3 LYS 119 1HB LYS 119 -3.532 9.102 -0.773 582 HG2 LYS 119 2HG LYS 119 -4.159 8.340 -3.007 583 HG3 LYS 119 1HG LYS 119 -5.781 7.925 -2.456 584 HD2 LYS 119 2HD LYS 119 -5.953 9.963 -3.682 585 HD3 LYS 119 1HD LYS 119 -6.169 10.367 -1.978 586 HE2 LYS 119 2HE LYS 119 -3.879 11.212 -1.861 587 HE3 LYS 119 1HE LYS 119 -3.576 10.699 -3.525 588 HZ1 LYS 119 3HZ LYS 119 -5.466 12.794 -2.622 589 HZ2 LYS 119 1HZ LYS 119 -5.388 12.214 -4.211 590 HZ3 LYS 119 2HZ LYS 119 -4.055 13.007 -3.527 591 H ALA 120 H ALA 120 -1.991 6.057 0.393 592 HA ALA 120 HA ALA 120 -2.859 5.788 3.202 593 HB1 ALA 120 3HB ALA 120 -0.523 4.489 1.749 594 HB2 ALA 120 1HB ALA 120 -2.094 3.741 2.052 595 HB3 ALA 120 2HB ALA 120 -1.037 4.148 3.405 596 H ARG 121 H ARG 121 -2.228 7.344 4.557 597 HA ARG 121 HA ARG 121 -0.087 9.182 3.997 598 HB2 ARG 121 2HB ARG 121 -0.730 10.297 6.054 599 HB3 ARG 121 1HB ARG 121 -2.181 9.855 5.174 600 HG2 ARG 121 2HG ARG 121 -2.316 7.813 6.738 601 HG3 ARG 121 1HG ARG 121 -1.091 8.627 7.713 602 HD2 ARG 121 2HD ARG 121 -3.915 9.556 7.094 603 HD3 ARG 121 1HD ARG 121 -3.218 9.175 8.673 604 HE ARG 121 HE ARG 121 -1.721 11.274 7.634 605 HH11 ARG 121 1HH1 ARG 121 -5.032 10.786 8.697 606 HH12 ARG 121 2HH1 ARG 121 -5.303 12.468 8.994 607 HH21 ARG 121 1HH2 ARG 121 -2.125 13.485 8.013 608 HH22 ARG 121 2HH2 ARG 121 -3.665 13.978 8.641 609 H THR 122 H THR 122 -0.457 6.232 5.813 610 HA THR 122 HA THR 122 2.439 6.101 6.284 611 HB THR 122 HB THR 122 2.015 4.950 8.517 612 HG1 THR 122 HG1 THR 122 -0.003 4.487 8.874 613 HG21 THR 122 3HG2 THR 122 1.647 6.974 9.874 614 HG22 THR 122 1HG2 THR 122 1.083 7.841 8.442 615 HG23 THR 122 2HG2 THR 122 2.760 7.305 8.544 616 H LEU 123 H LEU 123 3.204 3.907 6.385 617 HA LEU 123 HA LEU 123 1.328 1.763 5.656 618 HB2 LEU 123 2HB LEU 123 2.306 2.638 3.549 619 HB3 LEU 123 1HB LEU 123 3.923 2.352 4.155 620 HG LEU 123 HG LEU 123 2.041 -0.014 3.904 621 HD11 LEU 123 1HD1 LEU 123 1.760 1.135 1.762 622 HD12 LEU 123 2HD1 LEU 123 2.640 -0.377 1.560 623 HD13 LEU 123 3HD1 LEU 123 3.510 1.163 1.526 624 HD21 LEU 123 3HD2 LEU 123 4.263 -0.408 4.903 625 HD22 LEU 123 1HD2 LEU 123 5.046 0.226 3.450 626 HD23 LEU 123 2HD2 LEU 123 4.099 -1.264 3.372 627 H MET 124 H MET 124 1.764 -0.084 6.601 628 HA MET 124 HA MET 124 4.311 -0.592 8.007 629 HB2 MET 124 2HB MET 124 2.585 0.251 9.637 630 HB3 MET 124 1HB MET 124 1.489 -1.019 9.122 631 HG2 MET 124 2HG MET 124 3.034 -2.713 10.026 632 HG3 MET 124 1HG MET 124 4.145 -1.436 10.520 633 HE1 MET 124 3HE MET 124 -0.061 -2.024 12.364 634 HE2 MET 124 1HE MET 124 0.598 -3.050 11.087 635 HE3 MET 124 2HE MET 124 0.177 -1.367 10.749 636 H THR 125 H THR 125 4.529 -3.009 8.376 637 HA THR 125 HA THR 125 3.039 -4.627 6.390 638 HB THR 125 HB THR 125 4.969 -6.271 6.616 639 HG1 THR 125 HG1 THR 125 5.990 -5.782 8.483 640 HG21 THR 125 3HG2 THR 125 4.983 -4.746 4.704 641 HG22 THR 125 1HG2 THR 125 6.627 -4.936 5.315 642 HG23 THR 125 2HG2 THR 125 5.714 -3.474 5.685 643 H LYS 126 H LYS 126 2.081 -6.589 7.054 644 HA LYS 126 HA LYS 126 1.572 -7.060 9.864 645 HB2 LYS 126 2HB LYS 126 -0.174 -7.632 8.219 646 HB3 LYS 126 1HB LYS 126 0.931 -8.717 7.385 647 HG2 LYS 126 2HG LYS 126 1.048 -10.078 9.529 648 HG3 LYS 126 1HG LYS 126 -0.268 -9.079 10.144 649 HD2 LYS 126 2HD LYS 126 -0.496 -10.651 7.559 650 HD3 LYS 126 1HD LYS 126 -0.830 -11.393 9.118 651 HE2 LYS 126 2HE LYS 126 -2.934 -10.752 8.239 652 HE3 LYS 126 1HE LYS 126 -2.566 -9.560 9.478 653 HZ1 LYS 126 3HZ LYS 126 -1.843 -8.050 7.714 654 HZ2 LYS 126 1HZ LYS 126 -3.452 -8.520 7.533 655 HZ3 LYS 126 2HZ LYS 126 -2.260 -9.206 6.551 656 H CYS 127 H CYS 127 3.373 -8.622 7.247 657 HA CYS 127 HA CYS 127 4.755 -10.438 9.115 658 HB2 CYS 127 2HB CYS 127 3.545 -11.474 7.205 659 HB3 CYS 127 1HB CYS 127 4.511 -10.524 6.075 660 HG CYS 127 HG CYS 127 6.902 -11.819 7.397 661 HA PRO 128 HA PRO 128 8.457 -7.888 8.066 662 HB2 PRO 128 2HB PRO 128 9.945 -8.487 10.230 663 HB3 PRO 128 1HB PRO 128 8.537 -7.425 10.385 664 HG2 PRO 128 2HG PRO 128 8.786 -10.358 11.046 665 HG3 PRO 128 1HG PRO 128 8.014 -9.059 11.985 666 HD2 PRO 128 2HD PRO 128 6.650 -10.822 10.304 667 HD3 PRO 128 1HD PRO 128 6.041 -9.223 10.779 668 H LEU 129 H LEU 129 10.938 -8.660 8.208 669 HA LEU 129 HA LEU 129 11.221 -11.525 7.508 670 HB2 LEU 129 2HB LEU 129 12.827 -11.089 5.793 671 HB3 LEU 129 1HB LEU 129 11.392 -10.152 5.421 672 HG LEU 129 HG LEU 129 13.885 -8.927 6.689 673 HD11 LEU 129 1HD1 LEU 129 14.497 -9.905 4.521 674 HD12 LEU 129 2HD1 LEU 129 14.531 -8.146 4.461 675 HD13 LEU 129 3HD1 LEU 129 13.182 -9.025 3.736 676 HD21 LEU 129 3HD2 LEU 129 12.976 -6.794 5.889 677 HD22 LEU 129 1HD2 LEU 129 11.830 -7.592 6.965 678 HD23 LEU 129 2HD2 LEU 129 11.567 -7.619 5.218 679 H GLU 130 H GLU 130 13.795 -11.918 7.453 680 HA GLU 130 HA GLU 130 14.627 -11.361 10.220 681 HB2 GLU 130 2HB GLU 130 16.343 -13.355 9.423 682 HB3 GLU 130 1HB GLU 130 14.796 -13.627 10.198 683 HG2 GLU 130 2HG GLU 130 14.995 -15.141 8.350 684 HG3 GLU 130 1HG GLU 130 13.753 -13.960 7.958 Start of MODEL 17 1 H1 MET 43 1H MET 43 -30.190 8.368 0.736 2 H2 MET 43 2H MET 43 -30.698 8.625 -0.854 3 H3 MET 43 3H MET 43 -30.389 9.939 0.165 4 HA MET 43 HA MET 43 -28.389 7.973 -0.731 5 HB2 MET 43 2HB MET 43 -28.841 10.847 -1.648 6 HB3 MET 43 1HB MET 43 -27.445 9.869 -2.086 7 HG2 MET 43 2HG MET 43 -28.983 9.891 -3.926 8 HG3 MET 43 1HG MET 43 -28.986 8.269 -3.229 9 HE1 MET 43 3HE MET 43 -31.260 7.740 -4.562 10 HE2 MET 43 1HE MET 43 -31.254 9.371 -5.239 11 HE3 MET 43 2HE MET 43 -32.703 8.744 -4.454 12 H ALA 44 H ALA 44 -26.973 7.758 0.883 13 HA ALA 44 HA ALA 44 -26.427 9.928 2.782 14 HB1 ALA 44 3HB ALA 44 -25.486 7.032 2.794 15 HB2 ALA 44 1HB ALA 44 -26.860 7.677 3.693 16 HB3 ALA 44 2HB ALA 44 -25.227 8.212 4.084 17 H THR 45 H THR 45 -24.923 11.360 2.060 18 HA THR 45 HA THR 45 -22.369 10.337 0.947 19 HB THR 45 HB THR 45 -23.589 13.119 0.573 20 HG1 THR 45 HG1 THR 45 -23.168 11.217 -1.480 21 HG21 THR 45 3HG2 THR 45 -21.108 13.188 0.523 22 HG22 THR 45 1HG2 THR 45 -21.777 13.470 -1.086 23 HG23 THR 45 2HG2 THR 45 -21.091 11.896 -0.680 24 HA PRO 46 HA PRO 46 -21.241 12.042 5.127 25 HB2 PRO 46 2HB PRO 46 -19.228 10.239 5.626 26 HB3 PRO 46 1HB PRO 46 -20.927 9.898 5.987 27 HG2 PRO 46 2HG PRO 46 -19.288 9.060 3.597 28 HG3 PRO 46 1HG PRO 46 -20.418 8.091 4.569 29 HD2 PRO 46 2HD PRO 46 -21.126 9.175 2.172 30 HD3 PRO 46 1HD PRO 46 -22.293 8.974 3.495 31 H GLN 47 H GLN 47 -20.506 13.938 4.183 32 HA GLN 47 HA GLN 47 -18.287 14.141 2.405 33 HB2 GLN 47 2HB GLN 47 -19.629 16.316 4.071 34 HB3 GLN 47 1HB GLN 47 -18.510 16.593 2.730 35 HG2 GLN 47 2HG GLN 47 -20.123 15.466 1.198 36 HG3 GLN 47 1HG GLN 47 -21.255 15.293 2.540 37 HE21 GLN 47 1HE2 GLN 47 -22.823 16.540 1.482 38 HE22 GLN 47 2HE2 GLN 47 -22.684 18.248 1.305 39 H ASP 48 H ASP 48 -18.443 13.715 5.748 40 HA ASP 48 HA ASP 48 -15.959 14.861 6.558 41 HB2 ASP 48 2HB ASP 48 -17.534 12.556 7.808 42 HB3 ASP 48 1HB ASP 48 -16.253 13.481 8.587 43 H LYS 49 H LYS 49 -14.750 14.128 4.659 44 HA LYS 49 HA LYS 49 -13.885 11.347 4.525 45 HB2 LYS 49 2HB LYS 49 -13.000 13.814 2.969 46 HB3 LYS 49 1HB LYS 49 -12.469 12.169 2.628 47 HG2 LYS 49 2HG LYS 49 -14.709 11.500 1.980 48 HG3 LYS 49 1HG LYS 49 -15.378 13.047 2.508 49 HD2 LYS 49 2HD LYS 49 -13.442 12.638 0.185 50 HD3 LYS 49 1HD LYS 49 -15.179 12.944 0.050 51 HE2 LYS 49 2HE LYS 49 -14.791 15.141 1.254 52 HE3 LYS 49 1HE LYS 49 -13.056 14.839 1.110 53 HZ1 LYS 49 3HZ LYS 49 -13.759 16.240 -0.657 54 HZ2 LYS 49 1HZ LYS 49 -15.005 15.182 -1.097 55 HZ3 LYS 49 2HZ LYS 49 -13.393 14.728 -1.320 56 H LEU 50 H LEU 50 -13.131 13.998 6.397 57 HA LEU 50 HA LEU 50 -10.274 13.618 6.687 58 HB2 LEU 50 2HB LEU 50 -12.196 15.273 8.386 59 HB3 LEU 50 1HB LEU 50 -10.443 15.309 8.475 60 HG LEU 50 HG LEU 50 -10.518 16.134 6.000 61 HD11 LEU 50 1HD1 LEU 50 -13.392 16.776 6.719 62 HD12 LEU 50 2HD1 LEU 50 -12.855 15.640 5.480 63 HD13 LEU 50 3HD1 LEU 50 -12.519 17.360 5.299 64 HD21 LEU 50 3HD2 LEU 50 -9.820 17.550 7.863 65 HD22 LEU 50 1HD2 LEU 50 -11.503 17.958 8.217 66 HD23 LEU 50 2HD2 LEU 50 -10.764 18.475 6.698 67 H HIS 51 H HIS 51 -10.459 11.328 7.140 68 HA HIS 51 HA HIS 51 -10.317 10.711 9.931 69 HB2 HIS 51 2HB HIS 51 -12.086 9.053 10.094 70 HB3 HIS 51 1HB HIS 51 -12.809 10.551 9.537 71 HD1 HIS 51 HD1 HIS 51 -12.828 7.036 8.851 72 HD2 HIS 51 HD2 HIS 51 -13.222 10.460 6.538 73 HE1 HIS 51 HE1 HIS 51 -13.968 6.290 6.742 74 HE2 HIS 51 HE2 HIS 51 -14.301 8.400 5.412 75 H THR 52 H THR 52 -9.108 8.859 10.264 76 HA THR 52 HA THR 52 -7.551 7.872 8.097 77 HB THR 52 HB THR 52 -7.729 6.811 10.944 78 HG1 THR 52 HG1 THR 52 -6.501 8.446 11.496 79 HG21 THR 52 3HG2 THR 52 -5.455 5.915 10.536 80 HG22 THR 52 1HG2 THR 52 -5.533 6.462 8.858 81 HG23 THR 52 2HG2 THR 52 -6.628 5.200 9.430 82 H VAL 53 H VAL 53 -8.223 6.435 6.697 83 HA VAL 53 HA VAL 53 -10.177 4.307 7.308 84 HB VAL 53 HB VAL 53 -8.979 5.178 4.615 85 HG11 VAL 53 1HG1 VAL 53 -11.269 3.253 5.163 86 HG12 VAL 53 2HG1 VAL 53 -9.667 2.815 4.565 87 HG13 VAL 53 3HG1 VAL 53 -10.746 3.792 3.567 88 HG21 VAL 53 3HG2 VAL 53 -11.156 6.217 4.115 89 HG22 VAL 53 1HG2 VAL 53 -10.416 6.954 5.538 90 HG23 VAL 53 2HG2 VAL 53 -11.743 5.803 5.729 91 H ARG 54 H ARG 54 -9.362 2.262 7.656 92 HA ARG 54 HA ARG 54 -6.532 1.714 6.943 93 HB2 ARG 54 2HB ARG 54 -6.859 1.747 9.379 94 HB3 ARG 54 1HB ARG 54 -8.173 0.579 9.254 95 HG2 ARG 54 2HG ARG 54 -6.703 -1.197 8.696 96 HG3 ARG 54 1HG ARG 54 -5.380 -0.103 8.294 97 HD2 ARG 54 2HD ARG 54 -4.975 -1.254 10.422 98 HD3 ARG 54 1HD ARG 54 -5.121 0.491 10.660 99 HE ARG 54 HE ARG 54 -7.313 -1.429 11.237 100 HH11 ARG 54 1HH1 ARG 54 -5.513 1.456 12.101 101 HH12 ARG 54 2HH1 ARG 54 -6.336 1.652 13.615 102 HH21 ARG 54 1HH2 ARG 54 -8.375 -1.146 13.222 103 HH22 ARG 54 2HH2 ARG 54 -7.945 0.188 14.248 104 H LEU 55 H LEU 55 -6.107 0.026 5.676 105 HA LEU 55 HA LEU 55 -8.220 -1.940 5.005 106 HB2 LEU 55 2HB LEU 55 -6.016 -0.813 3.238 107 HB3 LEU 55 1HB LEU 55 -7.066 -2.150 2.779 108 HG LEU 55 HG LEU 55 -8.004 0.661 3.368 109 HD11 LEU 55 1HD1 LEU 55 -8.341 0.881 0.935 110 HD12 LEU 55 2HD1 LEU 55 -7.609 -0.708 0.692 111 HD13 LEU 55 3HD1 LEU 55 -6.645 0.621 1.340 112 HD21 LEU 55 3HD2 LEU 55 -9.532 -1.719 2.269 113 HD22 LEU 55 1HD2 LEU 55 -10.155 -0.069 2.393 114 HD23 LEU 55 2HD2 LEU 55 -9.751 -0.966 3.853 115 H PHE 56 H PHE 56 -7.326 -3.968 4.202 116 HA PHE 56 HA PHE 56 -4.773 -4.867 5.384 117 HB2 PHE 56 2HB PHE 56 -7.396 -6.381 5.803 118 HB3 PHE 56 1HB PHE 56 -5.824 -6.794 6.471 119 HD1 PHE 56 HD1 PHE 56 -4.793 -5.052 8.140 120 HD2 PHE 56 HD2 PHE 56 -8.937 -5.176 7.117 121 HE1 PHE 56 HE1 PHE 56 -5.344 -3.839 10.199 122 HE2 PHE 56 HE2 PHE 56 -9.483 -3.957 9.182 123 HZ PHE 56 HZ PHE 56 -7.685 -3.288 10.726 124 H GLY 57 H GLY 57 -3.789 -6.451 4.092 125 HA2 GLY 57 2HA GLY 57 -4.976 -8.372 2.488 126 HA3 GLY 57 1HA GLY 57 -4.825 -6.947 1.459 127 H THR 58 H THR 58 -3.411 -8.210 0.160 128 HA THR 58 HA THR 58 -0.653 -8.505 1.150 129 HB THR 58 HB THR 58 -2.062 -10.194 -0.974 130 HG1 THR 58 HG1 THR 58 -1.848 -11.847 0.758 131 HG21 THR 58 3HG2 THR 58 -0.120 -11.717 -0.758 132 HG22 THR 58 1HG2 THR 58 0.642 -10.591 0.367 133 HG23 THR 58 2HG2 THR 58 0.381 -10.119 -1.313 134 H VAL 59 H VAL 59 0.993 -7.848 -0.299 135 HA VAL 59 HA VAL 59 0.394 -5.806 -2.207 136 HB VAL 59 HB VAL 59 3.072 -7.221 -1.803 137 HG11 VAL 59 1HG1 VAL 59 4.065 -5.126 -2.656 138 HG12 VAL 59 2HG1 VAL 59 2.455 -4.443 -2.896 139 HG13 VAL 59 3HG1 VAL 59 2.971 -5.841 -3.843 140 HG21 VAL 59 3HG2 VAL 59 3.655 -5.469 -0.184 141 HG22 VAL 59 1HG2 VAL 59 2.247 -6.388 0.358 142 HG23 VAL 59 2HG2 VAL 59 2.037 -4.777 -0.332 143 H ALA 60 H ALA 60 0.038 -6.033 -4.342 144 HA ALA 60 HA ALA 60 0.161 -8.534 -5.712 145 HB1 ALA 60 3HB ALA 60 -1.481 -6.799 -6.287 146 HB2 ALA 60 1HB ALA 60 -0.494 -7.229 -7.687 147 HB3 ALA 60 2HB ALA 60 -0.185 -5.724 -6.814 148 H ALA 61 H ALA 61 1.894 -9.430 -6.698 149 HA ALA 61 HA ALA 61 4.426 -8.168 -7.099 150 HB1 ALA 61 3HB ALA 61 4.999 -10.250 -8.321 151 HB2 ALA 61 1HB ALA 61 3.300 -10.739 -8.286 152 HB3 ALA 61 2HB ALA 61 4.211 -10.601 -6.783 153 H ASP 62 H ASP 62 1.748 -9.079 -9.252 154 HA ASP 62 HA ASP 62 2.734 -7.469 -11.492 155 HB2 ASP 62 2HB ASP 62 1.657 -9.646 -11.993 156 HB3 ASP 62 1HB ASP 62 0.191 -9.142 -11.158 157 H GLY 63 H GLY 63 2.255 -5.382 -11.584 158 HA2 GLY 63 2HA GLY 63 0.862 -3.458 -11.587 159 HA3 GLY 63 1HA GLY 63 -0.285 -4.274 -10.528 160 H LEU 64 H LEU 64 3.188 -3.618 -10.402 161 HA LEU 64 HA LEU 64 2.905 -1.931 -8.006 162 HB2 LEU 64 2HB LEU 64 3.593 -4.362 -7.433 163 HB3 LEU 64 1HB LEU 64 5.105 -4.037 -8.253 164 HG LEU 64 HG LEU 64 4.140 -2.470 -5.811 165 HD11 LEU 64 1HD1 LEU 64 5.674 -3.799 -4.445 166 HD12 LEU 64 2HD1 LEU 64 6.088 -4.793 -5.846 167 HD13 LEU 64 3HD1 LEU 64 4.447 -4.819 -5.196 168 HD21 LEU 64 3HD2 LEU 64 6.497 -1.748 -5.570 169 HD22 LEU 64 1HD2 LEU 64 5.802 -1.215 -7.101 170 HD23 LEU 64 2HD2 LEU 64 6.908 -2.587 -7.069 171 H THR 65 H THR 65 3.944 -0.085 -8.334 172 HA THR 65 HA THR 65 6.223 0.172 -10.171 173 HB THR 65 HB THR 65 3.795 2.047 -10.256 174 HG1 THR 65 HG1 THR 65 4.249 -0.351 -11.548 175 HG21 THR 65 3HG2 THR 65 6.160 1.808 -12.159 176 HG22 THR 65 1HG2 THR 65 5.907 3.112 -10.994 177 HG23 THR 65 2HG2 THR 65 4.788 2.903 -12.342 178 H MET 66 H MET 66 7.685 1.776 -9.466 179 HA MET 66 HA MET 66 7.136 3.073 -6.875 180 HB2 MET 66 2HB MET 66 9.716 2.794 -8.484 181 HB3 MET 66 1HB MET 66 9.592 3.647 -6.943 182 HG2 MET 66 2HG MET 66 9.034 0.690 -7.356 183 HG3 MET 66 1HG MET 66 10.524 1.375 -6.701 184 HE1 MET 66 3HE MET 66 8.873 -0.252 -3.509 185 HE2 MET 66 1HE MET 66 10.338 -0.160 -4.490 186 HE3 MET 66 2HE MET 66 8.873 -0.893 -5.153 187 H LEU 67 H LEU 67 7.235 5.321 -6.617 188 HA LEU 67 HA LEU 67 6.580 6.994 -8.858 189 HB2 LEU 67 2HB LEU 67 7.420 7.830 -6.053 190 HB3 LEU 67 1HB LEU 67 6.662 8.868 -7.249 191 HG LEU 67 HG LEU 67 5.340 6.503 -5.839 192 HD11 LEU 67 1HD1 LEU 67 5.658 8.448 -4.371 193 HD12 LEU 67 2HD1 LEU 67 3.954 8.190 -4.724 194 HD13 LEU 67 3HD1 LEU 67 4.834 9.487 -5.539 195 HD21 LEU 67 3HD2 LEU 67 4.465 6.710 -8.121 196 HD22 LEU 67 1HD2 LEU 67 4.139 8.426 -7.869 197 HD23 LEU 67 2HD2 LEU 67 3.251 7.207 -6.950 198 H ASP 68 H ASP 68 7.995 8.010 -10.220 199 HA ASP 68 HA ASP 68 10.905 7.777 -9.701 200 HB2 ASP 68 2HB ASP 68 9.344 8.246 -12.285 201 HB3 ASP 68 1HB ASP 68 11.102 8.342 -12.185 202 H GLY 69 H GLY 69 12.055 9.542 -9.220 203 HA2 GLY 69 2HA GLY 69 12.655 11.726 -8.832 204 HA3 GLY 69 1HA GLY 69 11.484 12.230 -10.046 205 H ALA 70 H ALA 70 10.651 10.262 -7.301 206 HA ALA 70 HA ALA 70 9.715 12.319 -5.541 207 HB1 ALA 70 3HB ALA 70 7.290 11.795 -5.714 208 HB2 ALA 70 1HB ALA 70 7.623 10.715 -7.074 209 HB3 ALA 70 2HB ALA 70 7.913 12.447 -7.230 210 HA PRO 71 HA PRO 71 10.378 8.555 -3.056 211 HB2 PRO 71 2HB PRO 71 9.653 9.528 -0.586 212 HB3 PRO 71 1HB PRO 71 11.202 9.903 -1.356 213 HG2 PRO 71 2HG PRO 71 8.684 11.558 -1.250 214 HG3 PRO 71 1HG PRO 71 10.371 12.068 -1.014 215 HD2 PRO 71 2HD PRO 71 9.052 12.448 -3.373 216 HD3 PRO 71 1HD PRO 71 10.803 12.153 -3.304 217 H GLY 72 H GLY 72 8.942 6.900 -3.318 218 HA2 GLY 72 2HA GLY 72 6.996 6.208 -1.613 219 HA3 GLY 72 1HA GLY 72 6.092 7.191 -2.758 220 H VAL 73 H VAL 73 5.031 4.980 -2.736 221 HA VAL 73 HA VAL 73 5.860 3.487 -5.116 222 HB VAL 73 HB VAL 73 6.800 2.156 -3.255 223 HG11 VAL 73 1HG1 VAL 73 3.980 1.974 -2.124 224 HG12 VAL 73 2HG1 VAL 73 5.335 2.839 -1.401 225 HG13 VAL 73 3HG1 VAL 73 5.385 1.079 -1.528 226 HG21 VAL 73 3HG2 VAL 73 5.966 0.936 -5.222 227 HG22 VAL 73 1HG2 VAL 73 4.374 0.785 -4.478 228 HG23 VAL 73 2HG2 VAL 73 5.765 -0.034 -3.762 229 H ARG 74 H ARG 74 4.119 2.900 -6.332 230 HA ARG 74 HA ARG 74 1.415 3.008 -5.175 231 HB2 ARG 74 2HB ARG 74 1.921 4.782 -6.930 232 HB3 ARG 74 1HB ARG 74 2.110 3.478 -8.105 233 HG2 ARG 74 2HG ARG 74 -0.247 2.785 -7.701 234 HG3 ARG 74 1HG ARG 74 -0.427 4.099 -6.531 235 HD2 ARG 74 2HD ARG 74 0.209 5.685 -8.433 236 HD3 ARG 74 1HD ARG 74 0.005 4.309 -9.520 237 HE ARG 74 HE ARG 74 -2.352 4.289 -8.296 238 HH11 ARG 74 1HH1 ARG 74 -0.568 7.034 -9.553 239 HH12 ARG 74 2HH1 ARG 74 -1.990 7.931 -9.974 240 HH21 ARG 74 1HH2 ARG 74 -4.240 5.499 -8.846 241 HH22 ARG 74 2HH2 ARG 74 -4.053 7.072 -9.554 242 H PHE 75 H PHE 75 0.304 1.164 -5.252 243 HA PHE 75 HA PHE 75 0.877 -1.004 -7.105 244 HB2 PHE 75 2HB PHE 75 1.431 -2.694 -5.410 245 HB3 PHE 75 1HB PHE 75 2.613 -1.398 -5.346 246 HD1 PHE 75 HD2 PHE 75 2.472 0.309 -3.445 247 HD2 PHE 75 HD1 PHE 75 0.143 -3.286 -3.457 248 HE1 PHE 75 HE2 PHE 75 2.090 0.538 -1.022 249 HE2 PHE 75 HE1 PHE 75 -0.232 -3.047 -1.040 250 HZ PHE 75 HZ PHE 75 0.740 -1.141 0.182 251 H ARG 76 H ARG 76 -0.709 -2.823 -6.734 252 HA ARG 76 HA ARG 76 -3.261 -1.681 -5.750 253 HB2 ARG 76 2HB ARG 76 -4.388 -3.401 -7.144 254 HB3 ARG 76 1HB ARG 76 -3.405 -2.292 -8.089 255 HG2 ARG 76 2HG ARG 76 -1.655 -4.010 -8.306 256 HG3 ARG 76 1HG ARG 76 -2.614 -5.113 -7.317 257 HD2 ARG 76 2HD ARG 76 -4.438 -4.981 -9.053 258 HD3 ARG 76 1HD ARG 76 -3.324 -4.052 -10.069 259 HE ARG 76 HE ARG 76 -1.902 -6.277 -9.464 260 HH11 ARG 76 1HH1 ARG 76 -5.114 -5.883 -10.817 261 HH12 ARG 76 2HH1 ARG 76 -5.023 -7.339 -11.745 262 HH21 ARG 76 1HH2 ARG 76 -1.794 -8.163 -10.682 263 HH22 ARG 76 2HH2 ARG 76 -3.142 -8.646 -11.657 264 H LEU 77 H LEU 77 -3.888 -2.339 -3.828 265 HA LEU 77 HA LEU 77 -2.709 -4.534 -2.421 266 HB2 LEU 77 2HB LEU 77 -3.520 -2.467 -1.272 267 HB3 LEU 77 1HB LEU 77 -5.170 -2.889 -1.699 268 HG LEU 77 HG LEU 77 -4.865 -5.035 -0.336 269 HD11 LEU 77 1HD1 LEU 77 -2.436 -5.150 -0.326 270 HD12 LEU 77 2HD1 LEU 77 -3.052 -5.100 1.323 271 HD13 LEU 77 3HD1 LEU 77 -2.335 -3.654 0.608 272 HD21 LEU 77 3HD2 LEU 77 -5.243 -3.965 1.834 273 HD22 LEU 77 1HD2 LEU 77 -6.124 -3.130 0.556 274 HD23 LEU 77 2HD2 LEU 77 -4.641 -2.430 1.204 275 H GLU 78 H GLU 78 -3.203 -6.578 -2.939 276 HA GLU 78 HA GLU 78 -5.751 -7.502 -3.857 277 HB2 GLU 78 2HB GLU 78 -3.509 -9.114 -2.552 278 HB3 GLU 78 1HB GLU 78 -4.783 -9.729 -3.604 279 HG2 GLU 78 2HG GLU 78 -3.810 -8.577 -5.517 280 HG3 GLU 78 1HG GLU 78 -2.608 -7.801 -4.487 281 H ASP 79 H ASP 79 -7.406 -7.069 -2.456 282 HA ASP 79 HA ASP 79 -7.355 -6.855 0.309 283 HB2 ASP 79 2HB ASP 79 -9.643 -7.646 -1.545 284 HB3 ASP 79 1HB ASP 79 -9.862 -7.287 0.168 285 H LYS 80 H LYS 80 -8.393 -8.248 1.953 286 HA LYS 80 HA LYS 80 -6.946 -10.548 2.400 287 HB2 LYS 80 2HB LYS 80 -9.652 -9.804 3.565 288 HB3 LYS 80 1HB LYS 80 -8.618 -11.076 4.212 289 HG2 LYS 80 2HG LYS 80 -6.887 -9.394 4.745 290 HG3 LYS 80 1HG LYS 80 -7.917 -8.120 4.085 291 HD2 LYS 80 2HD LYS 80 -8.064 -8.207 6.550 292 HD3 LYS 80 1HD LYS 80 -9.622 -8.567 5.802 293 HE2 LYS 80 2HE LYS 80 -9.200 -10.997 6.159 294 HE3 LYS 80 1HE LYS 80 -7.664 -10.602 6.937 295 HZ1 LYS 80 3HZ LYS 80 -8.815 -9.497 8.673 296 HZ2 LYS 80 1HZ LYS 80 -9.498 -11.030 8.486 297 HZ3 LYS 80 2HZ LYS 80 -10.307 -9.667 7.894 298 H ASP 81 H ASP 81 -6.941 -12.056 0.816 299 HA ASP 81 HA ASP 81 -7.425 -14.017 -0.195 300 HB2 ASP 81 2HB ASP 81 -9.797 -14.041 1.719 301 HB3 ASP 81 1HB ASP 81 -9.428 -15.374 0.629 302 H ASN 82 H ASN 82 -8.558 -11.375 -1.072 303 HA ASN 82 HA ASN 82 -10.128 -12.429 -3.304 304 HB2 ASN 82 2HB ASN 82 -11.776 -11.435 -1.730 305 HB3 ASN 82 1HB ASN 82 -10.884 -9.912 -1.755 306 HD21 ASN 82 1HD2 ASN 82 -12.850 -8.912 -2.491 307 HD22 ASN 82 2HD2 ASN 82 -13.353 -9.028 -4.137 308 H THR 83 H THR 83 -8.167 -12.339 -4.391 309 HA THR 83 HA THR 83 -6.854 -9.823 -4.986 310 HB THR 83 HB THR 83 -5.584 -11.962 -4.908 311 HG1 THR 83 HG1 THR 83 -4.332 -10.924 -6.236 312 HG21 THR 83 3HG2 THR 83 -7.273 -13.508 -5.844 313 HG22 THR 83 1HG2 THR 83 -5.753 -13.617 -6.737 314 HG23 THR 83 2HG2 THR 83 -7.120 -12.735 -7.421 315 H SER 84 H SER 84 -9.695 -11.347 -6.025 316 HA SER 84 HA SER 84 -9.658 -10.565 -8.812 317 HB2 SER 84 2HB SER 84 -11.925 -11.669 -7.104 318 HB3 SER 84 1HB SER 84 -11.925 -11.531 -8.864 319 HG SER 84 HG SER 84 -9.829 -12.833 -8.547 320 H LYS 85 H LYS 85 -10.089 -8.823 -6.025 321 HA LYS 85 HA LYS 85 -11.137 -6.571 -7.568 322 HB2 LYS 85 2HB LYS 85 -13.134 -7.530 -6.386 323 HB3 LYS 85 1HB LYS 85 -12.308 -7.354 -4.848 324 HG2 LYS 85 2HG LYS 85 -13.908 -5.553 -5.108 325 HG3 LYS 85 1HG LYS 85 -12.274 -4.895 -5.146 326 HD2 LYS 85 2HD LYS 85 -13.631 -3.783 -6.837 327 HD3 LYS 85 1HD LYS 85 -12.401 -4.764 -7.635 328 HE2 LYS 85 2HE LYS 85 -14.096 -6.522 -8.059 329 HE3 LYS 85 1HE LYS 85 -15.325 -5.531 -7.266 330 HZ1 LYS 85 3HZ LYS 85 -15.402 -5.345 -9.672 331 HZ2 LYS 85 1HZ LYS 85 -13.812 -4.774 -9.711 332 HZ3 LYS 85 2HZ LYS 85 -15.024 -3.857 -8.968 333 H THR 86 H THR 86 -9.019 -5.877 -7.563 334 HA THR 86 HA THR 86 -7.649 -5.259 -5.033 335 HB THR 86 HB THR 86 -5.695 -4.690 -6.560 336 HG1 THR 86 HG1 THR 86 -7.216 -4.387 -8.430 337 HG21 THR 86 3HG2 THR 86 -5.839 -6.940 -5.552 338 HG22 THR 86 1HG2 THR 86 -5.134 -7.010 -7.166 339 HG23 THR 86 2HG2 THR 86 -6.812 -7.497 -6.913 340 H VAL 87 H VAL 87 -7.702 -3.258 -4.237 341 HA VAL 87 HA VAL 87 -8.335 -0.927 -5.960 342 HB VAL 87 HB VAL 87 -8.370 -1.268 -2.922 343 HG11 VAL 87 1HG1 VAL 87 -8.849 1.327 -4.452 344 HG12 VAL 87 2HG1 VAL 87 -7.501 0.997 -3.364 345 HG13 VAL 87 3HG1 VAL 87 -9.141 1.090 -2.727 346 HG21 VAL 87 3HG2 VAL 87 -10.334 -2.177 -4.104 347 HG22 VAL 87 1HG2 VAL 87 -10.601 -0.620 -4.893 348 HG23 VAL 87 2HG2 VAL 87 -10.788 -0.770 -3.144 349 H TRP 88 H TRP 88 -6.860 0.765 -6.175 350 HA TRP 88 HA TRP 88 -4.089 -0.016 -5.952 351 HB2 TRP 88 2HB TRP 88 -5.461 2.427 -7.132 352 HB3 TRP 88 1HB TRP 88 -3.706 2.274 -7.065 353 HD1 TRP 88 HD1 TRP 88 -6.765 0.819 -8.877 354 HE1 TRP 88 HE1 TRP 88 -5.942 -0.592 -10.862 355 HE3 TRP 88 HE3 TRP 88 -1.740 0.875 -7.900 356 HZ2 TRP 88 HZ2 TRP 88 -3.500 -1.570 -11.875 357 HZ3 TRP 88 HZ3 TRP 88 -0.229 -0.323 -9.421 358 HH2 TRP 88 HH2 TRP 88 -1.091 -1.527 -11.373 359 H VAL 89 H VAL 89 -2.463 1.505 -5.096 360 HA VAL 89 HA VAL 89 -3.278 2.832 -2.595 361 HB VAL 89 HB VAL 89 -0.964 0.838 -2.766 362 HG11 VAL 89 1HG1 VAL 89 -2.147 2.295 -0.365 363 HG12 VAL 89 2HG1 VAL 89 -0.580 2.615 -1.116 364 HG13 VAL 89 3HG1 VAL 89 -0.864 1.080 -0.297 365 HG21 VAL 89 3HG2 VAL 89 -3.076 -0.402 -2.929 366 HG22 VAL 89 1HG2 VAL 89 -3.682 0.402 -1.479 367 HG23 VAL 89 2HG2 VAL 89 -2.304 -0.698 -1.368 368 H LEU 90 H LEU 90 -2.623 4.834 -3.038 369 HA LEU 90 HA LEU 90 -0.010 5.392 -4.241 370 HB2 LEU 90 2HB LEU 90 -1.988 6.695 -5.033 371 HB3 LEU 90 1HB LEU 90 -2.248 7.283 -3.400 372 HG LEU 90 HG LEU 90 -0.029 8.450 -3.479 373 HD11 LEU 90 1HD1 LEU 90 0.050 7.587 -6.384 374 HD12 LEU 90 2HD1 LEU 90 1.130 7.035 -5.101 375 HD13 LEU 90 3HD1 LEU 90 1.155 8.723 -5.607 376 HD21 LEU 90 3HD2 LEU 90 -1.955 9.233 -5.692 377 HD22 LEU 90 1HD2 LEU 90 -0.734 10.278 -4.963 378 HD23 LEU 90 2HD2 LEU 90 -2.078 9.687 -3.989 379 H TYR 91 H TYR 91 1.360 4.783 -2.650 380 HA TYR 91 HA TYR 91 1.274 6.153 -0.028 381 HB2 TYR 91 2HB TYR 91 1.683 3.722 0.151 382 HB3 TYR 91 1HB TYR 91 3.046 3.842 -0.963 383 HD1 TYR 91 HD1 TYR 91 1.852 5.257 2.302 384 HD2 TYR 91 HD2 TYR 91 5.236 4.071 -0.031 385 HE1 TYR 91 HE1 TYR 91 3.327 5.759 4.190 386 HE2 TYR 91 HE2 TYR 91 6.718 4.571 1.871 387 HH TYR 91 HH TYR 91 6.648 6.055 3.905 388 H LYS 92 H LYS 92 2.561 7.902 0.259 389 HA LYS 92 HA LYS 92 4.999 8.209 -1.394 390 HB2 LYS 92 2HB LYS 92 3.326 10.395 -0.084 391 HB3 LYS 92 1HB LYS 92 4.789 10.645 -1.047 392 HG2 LYS 92 2HG LYS 92 3.572 9.494 -2.965 393 HG3 LYS 92 1HG LYS 92 2.104 9.588 -1.987 394 HD2 LYS 92 2HD LYS 92 2.239 12.032 -1.971 395 HD3 LYS 92 1HD LYS 92 3.778 11.977 -2.843 396 HE2 LYS 92 2HE LYS 92 2.585 10.820 -4.727 397 HE3 LYS 92 1HE LYS 92 1.068 11.083 -3.862 398 HZ1 LYS 92 3HZ LYS 92 2.916 13.201 -4.810 399 HZ2 LYS 92 1HZ LYS 92 1.458 13.456 -3.997 400 HZ3 LYS 92 2HZ LYS 92 1.454 12.767 -5.539 401 H GLY 93 H GLY 93 6.857 8.966 -0.397 402 HA2 GLY 93 2HA GLY 93 8.062 9.709 1.608 403 HA3 GLY 93 1HA GLY 93 7.061 8.595 2.535 404 H ALA 94 H ALA 94 9.369 7.973 3.152 405 HA ALA 94 HA ALA 94 10.956 6.450 1.329 406 HB1 ALA 94 3HB ALA 94 11.023 6.541 4.369 407 HB2 ALA 94 1HB ALA 94 11.951 7.572 3.276 408 HB3 ALA 94 2HB ALA 94 12.268 5.837 3.331 409 H VAL 95 H VAL 95 10.557 4.471 0.644 410 HA VAL 95 HA VAL 95 8.488 2.770 1.752 411 HB VAL 95 HB VAL 95 10.393 2.330 -0.603 412 HG11 VAL 95 1HG1 VAL 95 9.613 0.162 0.245 413 HG12 VAL 95 2HG1 VAL 95 8.842 0.509 -1.304 414 HG13 VAL 95 3HG1 VAL 95 7.936 0.715 0.197 415 HG21 VAL 95 3HG2 VAL 95 7.476 3.206 -0.594 416 HG22 VAL 95 1HG2 VAL 95 8.456 2.900 -2.031 417 HG23 VAL 95 2HG2 VAL 95 8.862 4.237 -0.953 418 HA PRO 96 HA PRO 96 11.508 0.714 4.449 419 HB2 PRO 96 2HB PRO 96 9.904 -1.279 5.446 420 HB3 PRO 96 1HB PRO 96 9.789 0.402 5.981 421 HG2 PRO 96 2HG PRO 96 8.089 -1.067 3.964 422 HG3 PRO 96 1HG PRO 96 7.586 0.033 5.268 423 HD2 PRO 96 2HD PRO 96 7.792 0.859 2.677 424 HD3 PRO 96 1HD PRO 96 8.131 1.949 4.042 425 H ASP 97 H ASP 97 12.791 -1.139 4.441 426 HA ASP 97 HA ASP 97 13.065 -2.550 1.977 427 HB2 ASP 97 2HB ASP 97 15.022 -1.960 3.326 428 HB3 ASP 97 1HB ASP 97 14.445 -2.937 4.669 429 H THR 98 H THR 98 11.485 -3.291 5.007 430 HA THR 98 HA THR 98 11.166 -6.108 4.631 431 HB THR 98 HB THR 98 10.929 -5.129 6.870 432 HG1 THR 98 HG1 THR 98 9.290 -6.895 5.831 433 HG21 THR 98 3HG2 THR 98 8.959 -3.799 7.512 434 HG22 THR 98 1HG2 THR 98 8.420 -3.769 5.835 435 HG23 THR 98 2HG2 THR 98 9.920 -2.959 6.295 436 H PHE 99 H PHE 99 9.615 -3.336 3.241 437 HA PHE 99 HA PHE 99 7.187 -4.595 2.355 438 HB2 PHE 99 2HB PHE 99 7.260 -2.155 2.458 439 HB3 PHE 99 1HB PHE 99 8.604 -2.094 1.321 440 HD1 PHE 99 HD1 PHE 99 5.005 -3.102 1.614 441 HD2 PHE 99 HD2 PHE 99 8.156 -1.935 -1.028 442 HE1 PHE 99 HE1 PHE 99 3.402 -2.931 -0.241 443 HE2 PHE 99 HE2 PHE 99 6.545 -1.765 -2.874 444 HZ PHE 99 HZ PHE 99 4.164 -2.264 -2.483 445 H LYS 100 H LYS 100 7.135 -6.179 0.997 446 HA LYS 100 HA LYS 100 8.892 -6.298 -1.370 447 HB2 LYS 100 2HB LYS 100 8.188 -8.541 0.595 448 HB3 LYS 100 1HB LYS 100 8.873 -8.842 -1.001 449 HG2 LYS 100 2HG LYS 100 10.931 -7.730 -0.419 450 HG3 LYS 100 1HG LYS 100 10.258 -7.133 1.098 451 HD2 LYS 100 2HD LYS 100 10.628 -10.091 0.463 452 HD3 LYS 100 1HD LYS 100 11.830 -9.117 1.313 453 HE2 LYS 100 2HE LYS 100 10.236 -8.677 3.126 454 HE3 LYS 100 1HE LYS 100 8.976 -9.564 2.261 455 HZ1 LYS 100 3HZ LYS 100 11.524 -10.727 3.235 456 HZ2 LYS 100 1HZ LYS 100 10.273 -11.567 2.460 457 HZ3 LYS 100 2HZ LYS 100 10.018 -10.887 3.987 458 HA PRO 101 HA PRO 101 4.912 -7.342 -3.378 459 HB2 PRO 101 2HB PRO 101 6.365 -9.046 -5.327 460 HB3 PRO 101 1HB PRO 101 5.471 -7.550 -5.612 461 HG2 PRO 101 2HG PRO 101 8.176 -7.665 -5.790 462 HG3 PRO 101 1HG PRO 101 7.331 -6.206 -5.229 463 HD2 PRO 101 2HD PRO 101 8.701 -8.348 -3.599 464 HD3 PRO 101 1HD PRO 101 8.769 -6.579 -3.422 465 H GLY 102 H GLY 102 3.445 -9.022 -3.094 466 HA2 GLY 102 2HA GLY 102 2.653 -11.157 -2.798 467 HA3 GLY 102 1HA GLY 102 4.289 -11.786 -2.796 468 H VAL 103 H VAL 103 4.453 -9.394 -0.516 469 HA VAL 103 HA VAL 103 3.842 -11.259 1.700 470 HB VAL 103 HB VAL 103 6.094 -10.008 1.628 471 HG11 VAL 103 1HG1 VAL 103 5.245 -7.797 0.927 472 HG12 VAL 103 2HG1 VAL 103 6.204 -7.692 2.401 473 HG13 VAL 103 3HG1 VAL 103 4.442 -7.608 2.485 474 HG21 VAL 103 3HG2 VAL 103 6.170 -9.608 4.078 475 HG22 VAL 103 1HG2 VAL 103 5.306 -11.099 3.690 476 HG23 VAL 103 2HG2 VAL 103 4.406 -9.650 4.138 477 H GLU 104 H GLU 104 2.372 -10.632 3.402 478 HA GLU 104 HA GLU 104 0.140 -9.016 2.638 479 HB2 GLU 104 2HB GLU 104 0.899 -10.140 5.359 480 HB3 GLU 104 1HB GLU 104 -0.672 -9.449 4.962 481 HG2 GLU 104 2HG GLU 104 -1.137 -11.282 3.432 482 HG3 GLU 104 1HG GLU 104 0.495 -11.923 3.629 483 H VAL 105 H VAL 105 -0.304 -6.934 3.152 484 HA VAL 105 HA VAL 105 1.317 -5.485 5.152 485 HB VAL 105 HB VAL 105 1.177 -3.391 3.772 486 HG11 VAL 105 1HG1 VAL 105 3.275 -4.641 3.834 487 HG12 VAL 105 2HG1 VAL 105 3.040 -3.928 2.240 488 HG13 VAL 105 3HG1 VAL 105 2.751 -5.653 2.483 489 HG21 VAL 105 3HG2 VAL 105 0.274 -5.221 1.505 490 HG22 VAL 105 1HG2 VAL 105 0.722 -3.520 1.337 491 HG23 VAL 105 2HG2 VAL 105 -0.697 -3.968 2.283 492 H ILE 106 H ILE 106 0.318 -3.757 6.136 493 HA ILE 106 HA ILE 106 -2.600 -3.418 5.910 494 HB ILE 106 HB ILE 106 -0.845 -3.043 8.390 495 HG12 ILE 106 2HG1 ILE 106 -2.896 -5.249 7.852 496 HG13 ILE 106 1HG1 ILE 106 -1.149 -5.464 7.811 497 HG21 ILE 106 1HG2 ILE 106 -3.867 -2.796 8.098 498 HG22 ILE 106 2HG2 ILE 106 -2.731 -1.470 8.354 499 HG23 ILE 106 3HG2 ILE 106 -2.970 -2.678 9.615 500 HD11 ILE 106 3HD1 ILE 106 -1.034 -4.915 10.200 501 HD12 ILE 106 1HD1 ILE 106 -2.078 -6.297 9.875 502 HD13 ILE 106 2HD1 ILE 106 -2.790 -4.726 10.232 503 H ILE 107 H ILE 107 -3.143 -1.373 5.373 504 HA ILE 107 HA ILE 107 -1.128 0.810 5.497 505 HB ILE 107 HB ILE 107 -2.141 1.658 3.315 506 HG12 ILE 107 2HG1 ILE 107 -3.400 -1.128 3.237 507 HG13 ILE 107 1HG1 ILE 107 -4.274 0.391 3.381 508 HG21 ILE 107 1HG2 ILE 107 -0.745 -1.038 3.130 509 HG22 ILE 107 2HG2 ILE 107 0.047 0.524 3.342 510 HG23 ILE 107 3HG2 ILE 107 -0.830 0.178 1.851 511 HD11 ILE 107 3HD1 ILE 107 -3.486 1.011 1.130 512 HD12 ILE 107 1HD1 ILE 107 -4.457 -0.459 1.157 513 HD13 ILE 107 2HD1 ILE 107 -2.706 -0.566 0.998 514 H GLU 108 H GLU 108 -1.920 2.837 5.995 515 HA GLU 108 HA GLU 108 -4.822 3.173 6.443 516 HB2 GLU 108 2HB GLU 108 -2.615 4.180 8.294 517 HB3 GLU 108 1HB GLU 108 -4.333 4.537 8.454 518 HG2 GLU 108 2HG GLU 108 -4.746 2.088 8.764 519 HG3 GLU 108 1HG GLU 108 -3.003 1.833 8.764 520 H GLY 109 H GLY 109 -5.550 5.314 6.203 521 HA2 GLY 109 2HA GLY 109 -4.159 7.647 5.799 522 HA3 GLY 109 1HA GLY 109 -4.216 6.892 4.209 523 H GLY 110 H GLY 110 -5.921 7.546 2.979 524 HA2 GLY 110 2HA GLY 110 -8.606 7.447 4.086 525 HA3 GLY 110 1HA GLY 110 -8.070 9.044 3.563 526 H LEU 111 H LEU 111 -10.205 7.318 2.511 527 HA LEU 111 HA LEU 111 -9.360 7.268 -0.324 528 HB2 LEU 111 2HB LEU 111 -9.645 4.955 0.515 529 HB3 LEU 111 1HB LEU 111 -11.265 5.333 1.063 530 HG LEU 111 HG LEU 111 -12.011 5.621 -1.282 531 HD11 LEU 111 1HD1 LEU 111 -9.957 6.446 -2.292 532 HD12 LEU 111 2HD1 LEU 111 -10.539 5.036 -3.170 533 HD13 LEU 111 3HD1 LEU 111 -9.175 4.881 -2.062 534 HD21 LEU 111 3HD2 LEU 111 -11.872 3.259 -2.002 535 HD22 LEU 111 1HD2 LEU 111 -12.214 3.394 -0.276 536 HD23 LEU 111 2HD2 LEU 111 -10.589 2.971 -0.821 537 H ALA 112 H ALA 112 -10.604 8.358 -1.658 538 HA ALA 112 HA ALA 112 -13.111 9.611 -0.811 539 HB1 ALA 112 3HB ALA 112 -11.561 9.859 -3.422 540 HB2 ALA 112 1HB ALA 112 -11.500 10.993 -2.072 541 HB3 ALA 112 2HB ALA 112 -12.996 10.792 -2.986 542 HA PRO 113 HA PRO 113 -15.375 6.025 -2.380 543 HB2 PRO 113 2HB PRO 113 -17.844 7.254 -2.875 544 HB3 PRO 113 1HB PRO 113 -17.298 6.689 -1.292 545 HG2 PRO 113 2HG PRO 113 -17.180 9.463 -2.465 546 HG3 PRO 113 1HG PRO 113 -17.649 8.957 -0.826 547 HD2 PRO 113 2HD PRO 113 -15.218 9.983 -1.300 548 HD3 PRO 113 1HD PRO 113 -15.420 8.638 -0.150 549 H GLY 114 H GLY 114 -14.986 8.920 -4.298 550 HA2 GLY 114 2HA GLY 114 -15.865 7.637 -6.797 551 HA3 GLY 114 1HA GLY 114 -15.440 9.323 -6.573 552 H GLU 115 H GLU 115 -12.951 7.929 -5.058 553 HA GLU 115 HA GLU 115 -11.240 7.876 -7.473 554 HB2 GLU 115 2HB GLU 115 -10.610 9.497 -5.714 555 HB3 GLU 115 1HB GLU 115 -10.528 8.208 -4.523 556 HG2 GLU 115 2HG GLU 115 -8.302 8.945 -5.270 557 HG3 GLU 115 1HG GLU 115 -8.598 7.240 -5.595 558 H ASP 116 H ASP 116 -9.968 6.114 -7.961 559 HA ASP 116 HA ASP 116 -10.775 3.539 -6.873 560 HB2 ASP 116 2HB ASP 116 -8.954 4.259 -9.212 561 HB3 ASP 116 1HB ASP 116 -9.407 2.614 -8.775 562 H THR 117 H THR 117 -7.989 5.689 -6.694 563 HA THR 117 HA THR 117 -6.413 3.559 -5.402 564 HB THR 117 HB THR 117 -5.214 4.881 -7.108 565 HG1 THR 117 HG1 THR 117 -4.303 5.004 -4.421 566 HG21 THR 117 3HG2 THR 117 -4.495 7.201 -6.694 567 HG22 THR 117 1HG2 THR 117 -5.487 7.251 -5.230 568 HG23 THR 117 2HG2 THR 117 -6.253 7.095 -6.810 569 H PHE 118 H PHE 118 -6.404 3.369 -3.325 570 HA PHE 118 HA PHE 118 -7.316 5.233 -1.374 571 HB2 PHE 118 2HB PHE 118 -7.481 2.829 -0.970 572 HB3 PHE 118 1HB PHE 118 -5.754 2.609 -1.223 573 HD1 PHE 118 HD2 PHE 118 -8.295 4.003 1.085 574 HD2 PHE 118 HD1 PHE 118 -4.191 2.940 0.594 575 HE1 PHE 118 HE2 PHE 118 -7.932 4.267 3.487 576 HE2 PHE 118 HE1 PHE 118 -3.840 3.208 3.011 577 HZ PHE 118 HZ PHE 118 -5.716 3.871 4.454 578 H LYS 119 H LYS 119 -6.106 6.773 -0.350 579 HA LYS 119 HA LYS 119 -3.301 7.159 -1.104 580 HB2 LYS 119 2HB LYS 119 -4.855 9.097 -1.155 581 HB3 LYS 119 1HB LYS 119 -5.188 8.882 0.562 582 HG2 LYS 119 2HG LYS 119 -2.776 9.349 1.046 583 HG3 LYS 119 1HG LYS 119 -2.528 9.673 -0.675 584 HD2 LYS 119 2HD LYS 119 -4.196 11.518 -0.543 585 HD3 LYS 119 1HD LYS 119 -4.397 11.195 1.181 586 HE2 LYS 119 2HE LYS 119 -1.841 12.126 -0.171 587 HE3 LYS 119 1HE LYS 119 -2.920 13.119 0.808 588 HZ1 LYS 119 3HZ LYS 119 -1.315 10.800 1.750 589 HZ2 LYS 119 1HZ LYS 119 -2.422 11.658 2.698 590 HZ3 LYS 119 2HZ LYS 119 -1.046 12.432 2.101 591 H ALA 120 H ALA 120 -1.904 5.928 0.098 592 HA ALA 120 HA ALA 120 -2.445 5.266 2.894 593 HB1 ALA 120 3HB ALA 120 -1.588 3.509 1.399 594 HB2 ALA 120 1HB ALA 120 -0.447 3.826 2.708 595 HB3 ALA 120 2HB ALA 120 -0.135 4.457 1.088 596 H ARG 121 H ARG 121 -1.977 6.834 4.326 597 HA ARG 121 HA ARG 121 0.253 8.641 4.184 598 HB2 ARG 121 2HB ARG 121 -0.348 9.284 6.473 599 HB3 ARG 121 1HB ARG 121 -1.809 9.173 5.504 600 HG2 ARG 121 2HG ARG 121 -2.334 6.990 6.506 601 HG3 ARG 121 1HG ARG 121 -0.846 7.035 7.443 602 HD2 ARG 121 2HD ARG 121 -3.093 9.062 7.720 603 HD3 ARG 121 1HD ARG 121 -2.929 7.617 8.729 604 HE ARG 121 HE ARG 121 -0.539 9.183 8.734 605 HH11 ARG 121 1HH1 ARG 121 -3.774 9.118 10.132 606 HH12 ARG 121 2HH1 ARG 121 -3.276 9.933 11.581 607 HH21 ARG 121 1HH2 ARG 121 0.067 10.240 10.640 608 HH22 ARG 121 2HH2 ARG 121 -1.123 10.581 11.856 609 H THR 122 H THR 122 -0.298 5.398 5.377 610 HA THR 122 HA THR 122 2.495 5.164 6.284 611 HB THR 122 HB THR 122 1.631 3.602 8.152 612 HG1 THR 122 HG1 THR 122 -0.460 3.248 7.932 613 HG21 THR 122 3HG2 THR 122 0.919 6.550 8.391 614 HG22 THR 122 1HG2 THR 122 2.510 5.844 8.685 615 HG23 THR 122 2HG2 THR 122 1.154 5.433 9.737 616 H LEU 123 H LEU 123 3.451 3.281 5.785 617 HA LEU 123 HA LEU 123 1.907 1.100 4.501 618 HB2 LEU 123 2HB LEU 123 3.222 2.349 2.810 619 HB3 LEU 123 1HB LEU 123 4.675 2.167 3.776 620 HG LEU 123 HG LEU 123 4.517 -0.334 3.423 621 HD11 LEU 123 1HD1 LEU 123 3.090 -1.204 1.633 622 HD12 LEU 123 2HD1 LEU 123 2.334 0.379 1.447 623 HD13 LEU 123 3HD1 LEU 123 2.130 -0.528 2.949 624 HD21 LEU 123 3HD2 LEU 123 4.777 1.382 0.938 625 HD22 LEU 123 1HD2 LEU 123 5.385 -0.266 1.123 626 HD23 LEU 123 2HD2 LEU 123 6.045 1.029 2.115 627 H MET 124 H MET 124 1.912 -0.460 5.968 628 HA MET 124 HA MET 124 4.399 -1.148 7.437 629 HB2 MET 124 2HB MET 124 2.711 -0.109 8.951 630 HB3 MET 124 1HB MET 124 1.496 -1.258 8.417 631 HG2 MET 124 2HG MET 124 2.809 -3.104 9.424 632 HG3 MET 124 1HG MET 124 4.011 -1.931 9.967 633 HE1 MET 124 3HE MET 124 0.048 -1.409 9.953 634 HE2 MET 124 1HE MET 124 -0.348 -2.027 11.551 635 HE3 MET 124 2HE MET 124 0.262 -3.121 10.300 636 H THR 125 H THR 125 4.953 -3.292 7.368 637 HA THR 125 HA THR 125 3.395 -5.101 5.665 638 HB THR 125 HB THR 125 5.395 -6.615 5.905 639 HG1 THR 125 HG1 THR 125 7.153 -5.954 7.093 640 HG21 THR 125 3HG2 THR 125 6.967 -5.215 4.629 641 HG22 THR 125 1HG2 THR 125 6.082 -3.763 5.094 642 HG23 THR 125 2HG2 THR 125 5.319 -4.970 4.052 643 H LYS 126 H LYS 126 3.158 -7.386 6.373 644 HA LYS 126 HA LYS 126 1.780 -7.799 8.767 645 HB2 LYS 126 2HB LYS 126 1.621 -9.173 6.689 646 HB3 LYS 126 1HB LYS 126 3.228 -9.809 6.985 647 HG2 LYS 126 2HG LYS 126 1.617 -11.467 7.626 648 HG3 LYS 126 1HG LYS 126 2.389 -10.848 9.090 649 HD2 LYS 126 2HD LYS 126 0.434 -9.442 9.565 650 HD3 LYS 126 1HD LYS 126 -0.327 -9.946 8.051 651 HE2 LYS 126 2HE LYS 126 0.354 -11.811 10.356 652 HE3 LYS 126 1HE LYS 126 -1.242 -11.134 10.029 653 HZ1 LYS 126 3HZ LYS 126 -1.250 -12.258 7.889 654 HZ2 LYS 126 1HZ LYS 126 -1.043 -13.362 9.152 655 HZ3 LYS 126 2HZ LYS 126 0.277 -12.911 8.201 656 H CYS 127 H CYS 127 4.976 -9.048 7.810 657 HA CYS 127 HA CYS 127 5.816 -9.379 10.609 658 HB2 CYS 127 2HB CYS 127 7.061 -10.417 8.025 659 HB3 CYS 127 1HB CYS 127 7.605 -10.805 9.655 660 HG CYS 127 HG CYS 127 5.867 -12.666 10.187 661 HA PRO 128 HA PRO 128 8.408 -5.635 9.831 662 HB2 PRO 128 2HB PRO 128 9.000 -5.800 12.739 663 HB3 PRO 128 1HB PRO 128 8.235 -4.494 11.834 664 HG2 PRO 128 2HG PRO 128 6.832 -6.040 13.567 665 HG3 PRO 128 1HG PRO 128 6.104 -5.359 12.097 666 HD2 PRO 128 2HD PRO 128 7.143 -8.156 12.568 667 HD3 PRO 128 1HD PRO 128 5.631 -7.634 11.781 668 H LEU 129 H LEU 129 9.731 -7.130 8.632 669 HA LEU 129 HA LEU 129 11.460 -9.034 9.893 670 HB2 LEU 129 2HB LEU 129 10.482 -9.335 7.611 671 HB3 LEU 129 1HB LEU 129 11.462 -7.996 7.028 672 HG LEU 129 HG LEU 129 13.527 -9.311 7.554 673 HD11 LEU 129 1HD1 LEU 129 12.686 -10.747 9.349 674 HD12 LEU 129 2HD1 LEU 129 13.386 -11.713 8.053 675 HD13 LEU 129 3HD1 LEU 129 11.632 -11.594 8.210 676 HD21 LEU 129 3HD2 LEU 129 11.583 -10.716 5.688 677 HD22 LEU 129 1HD2 LEU 129 13.345 -10.866 5.665 678 HD23 LEU 129 2HD2 LEU 129 12.589 -9.321 5.286 679 H GLU 130 H GLU 130 12.980 -8.203 11.200 680 HA GLU 130 HA GLU 130 14.938 -6.262 10.139 681 HB2 GLU 130 2HB GLU 130 13.663 -6.141 12.919 682 HB3 GLU 130 1HB GLU 130 14.977 -5.110 12.354 683 HG2 GLU 130 2HG GLU 130 13.474 -4.180 10.620 684 HG3 GLU 130 1HG GLU 130 12.163 -5.190 11.216 Start of MODEL 18 1 H1 MET 43 1H MET 43 -28.969 16.703 8.121 2 H2 MET 43 2H MET 43 -28.217 15.207 7.893 3 H3 MET 43 3H MET 43 -28.696 16.123 6.556 4 HA MET 43 HA MET 43 -26.328 16.237 6.882 5 HB2 MET 43 2HB MET 43 -26.080 18.704 6.864 6 HB3 MET 43 1HB MET 43 -27.437 18.189 5.874 7 HG2 MET 43 2HG MET 43 -27.646 19.355 8.670 8 HG3 MET 43 1HG MET 43 -27.953 20.224 7.164 9 HE1 MET 43 3HE MET 43 -31.558 19.766 8.750 10 HE2 MET 43 1HE MET 43 -30.365 20.942 8.189 11 HE3 MET 43 2HE MET 43 -30.059 19.998 9.649 12 H ALA 44 H ALA 44 -24.538 16.605 8.219 13 HA ALA 44 HA ALA 44 -24.796 17.394 10.992 14 HB1 ALA 44 3HB ALA 44 -24.035 15.242 11.959 15 HB2 ALA 44 1HB ALA 44 -24.066 14.501 10.355 16 HB3 ALA 44 2HB ALA 44 -25.566 15.036 11.108 17 H THR 45 H THR 45 -22.581 17.073 12.113 18 HA THR 45 HA THR 45 -20.523 18.204 10.477 19 HB THR 45 HB THR 45 -19.129 18.076 12.572 20 HG1 THR 45 HG1 THR 45 -19.752 16.762 14.118 21 HG21 THR 45 3HG2 THR 45 -20.568 20.051 12.193 22 HG22 THR 45 1HG2 THR 45 -20.456 19.667 13.912 23 HG23 THR 45 2HG2 THR 45 -21.910 19.243 13.006 24 HA PRO 46 HA PRO 46 -18.780 14.325 8.949 25 HB2 PRO 46 2HB PRO 46 -16.228 15.922 8.734 26 HB3 PRO 46 1HB PRO 46 -17.070 14.974 7.497 27 HG2 PRO 46 2HG PRO 46 -17.203 17.630 7.448 28 HG3 PRO 46 1HG PRO 46 -18.653 16.661 7.097 29 HD2 PRO 46 2HD PRO 46 -17.905 18.097 9.653 30 HD3 PRO 46 1HD PRO 46 -19.476 18.031 8.816 31 H GLN 47 H GLN 47 -17.416 12.654 9.602 32 HA GLN 47 HA GLN 47 -16.652 12.507 12.343 33 HB2 GLN 47 2HB GLN 47 -15.841 10.240 11.773 34 HB3 GLN 47 1HB GLN 47 -17.449 10.535 11.122 35 HG2 GLN 47 2HG GLN 47 -16.504 10.912 8.893 36 HG3 GLN 47 1HG GLN 47 -14.876 10.677 9.526 37 HE21 GLN 47 1HE2 GLN 47 -16.334 9.191 7.429 38 HE22 GLN 47 2HE2 GLN 47 -16.296 7.540 7.933 39 H ASP 48 H ASP 48 -14.498 11.874 13.098 40 HA ASP 48 HA ASP 48 -12.564 13.842 12.269 41 HB2 ASP 48 2HB ASP 48 -11.318 13.208 14.256 42 HB3 ASP 48 1HB ASP 48 -13.022 13.319 14.676 43 H LYS 49 H LYS 49 -10.261 13.308 11.964 44 HA LYS 49 HA LYS 49 -9.908 10.946 10.219 45 HB2 LYS 49 2HB LYS 49 -8.529 13.662 10.217 46 HB3 LYS 49 1HB LYS 49 -8.036 12.318 9.188 47 HG2 LYS 49 2HG LYS 49 -10.797 13.596 9.139 48 HG3 LYS 49 1HG LYS 49 -9.485 14.001 8.026 49 HD2 LYS 49 2HD LYS 49 -9.483 11.714 7.137 50 HD3 LYS 49 1HD LYS 49 -10.692 11.217 8.324 51 HE2 LYS 49 2HE LYS 49 -11.207 13.356 6.227 52 HE3 LYS 49 1HE LYS 49 -11.575 11.647 5.991 53 HZ1 LYS 49 3HZ LYS 49 -13.102 11.708 7.818 54 HZ2 LYS 49 1HZ LYS 49 -13.494 12.951 6.746 55 HZ3 LYS 49 2HZ LYS 49 -12.691 13.310 8.187 56 H LEU 50 H LEU 50 -9.361 11.625 13.322 57 HA LEU 50 HA LEU 50 -6.676 10.545 13.629 58 HB2 LEU 50 2HB LEU 50 -8.925 10.803 15.677 59 HB3 LEU 50 1HB LEU 50 -7.243 10.441 16.040 60 HG LEU 50 HG LEU 50 -8.299 13.071 14.916 61 HD11 LEU 50 1HD1 LEU 50 -7.660 14.036 17.077 62 HD12 LEU 50 2HD1 LEU 50 -7.200 12.439 17.673 63 HD13 LEU 50 3HD1 LEU 50 -8.884 12.783 17.264 64 HD21 LEU 50 3HD2 LEU 50 -5.446 12.318 15.641 65 HD22 LEU 50 1HD2 LEU 50 -6.009 13.936 15.206 66 HD23 LEU 50 2HD2 LEU 50 -6.074 12.637 14.021 67 H HIS 51 H HIS 51 -9.998 9.435 13.652 68 HA HIS 51 HA HIS 51 -9.170 6.596 13.614 69 HB2 HIS 51 2HB HIS 51 -11.962 7.770 14.057 70 HB3 HIS 51 1HB HIS 51 -11.498 6.074 14.198 71 HD1 HIS 51 HD1 HIS 51 -11.783 9.159 16.116 72 HD2 HIS 51 HD2 HIS 51 -9.671 5.599 16.455 73 HE1 HIS 51 HE1 HIS 51 -10.952 9.102 18.480 74 HE2 HIS 51 HE2 HIS 51 -9.829 6.860 18.706 75 H THR 52 H THR 52 -8.363 7.464 11.473 76 HA THR 52 HA THR 52 -10.299 8.001 9.393 77 HB THR 52 HB THR 52 -8.051 9.170 9.586 78 HG1 THR 52 HG1 THR 52 -7.659 8.652 7.125 79 HG21 THR 52 3HG2 THR 52 -6.613 7.225 10.068 80 HG22 THR 52 1HG2 THR 52 -6.057 8.085 8.623 81 HG23 THR 52 2HG2 THR 52 -6.948 6.572 8.465 82 H VAL 53 H VAL 53 -8.721 6.479 7.261 83 HA VAL 53 HA VAL 53 -10.367 4.031 7.582 84 HB VAL 53 HB VAL 53 -9.288 5.288 5.014 85 HG11 VAL 53 1HG1 VAL 53 -10.865 3.726 3.863 86 HG12 VAL 53 2HG1 VAL 53 -11.264 2.995 5.419 87 HG13 VAL 53 3HG1 VAL 53 -9.629 2.853 4.774 88 HG21 VAL 53 3HG2 VAL 53 -10.965 6.753 6.078 89 HG22 VAL 53 1HG2 VAL 53 -12.090 5.396 6.205 90 HG23 VAL 53 2HG2 VAL 53 -11.633 6.019 4.620 91 H ARG 54 H ARG 54 -9.268 2.240 8.070 92 HA ARG 54 HA ARG 54 -6.502 1.839 7.083 93 HB2 ARG 54 2HB ARG 54 -6.686 2.156 9.594 94 HB3 ARG 54 1HB ARG 54 -7.699 0.716 9.667 95 HG2 ARG 54 2HG ARG 54 -5.797 -0.637 8.761 96 HG3 ARG 54 1HG ARG 54 -4.790 0.816 8.751 97 HD2 ARG 54 2HD ARG 54 -4.283 -0.502 10.720 98 HD3 ARG 54 1HD ARG 54 -5.089 0.985 11.229 99 HE ARG 54 HE ARG 54 -7.003 -1.069 10.880 100 HH11 ARG 54 1HH1 ARG 54 -4.507 -0.098 13.149 101 HH12 ARG 54 2HH1 ARG 54 -5.236 -0.947 14.474 102 HH21 ARG 54 1HH2 ARG 54 -7.908 -2.188 12.607 103 HH22 ARG 54 2HH2 ARG 54 -7.146 -2.141 14.165 104 H LEU 55 H LEU 55 -6.095 -0.111 6.118 105 HA LEU 55 HA LEU 55 -8.254 -2.103 5.788 106 HB2 LEU 55 2HB LEU 55 -8.271 -0.263 3.989 107 HB3 LEU 55 1HB LEU 55 -6.720 -0.861 3.454 108 HG LEU 55 HG LEU 55 -9.270 -2.546 3.385 109 HD11 LEU 55 1HD1 LEU 55 -9.585 -0.567 1.966 110 HD12 LEU 55 2HD1 LEU 55 -9.420 -2.020 0.982 111 HD13 LEU 55 3HD1 LEU 55 -8.063 -0.897 1.131 112 HD21 LEU 55 3HD2 LEU 55 -6.621 -2.930 1.944 113 HD22 LEU 55 1HD2 LEU 55 -8.063 -3.931 1.740 114 HD23 LEU 55 2HD2 LEU 55 -7.224 -3.901 3.287 115 H PHE 56 H PHE 56 -7.463 -4.188 5.554 116 HA PHE 56 HA PHE 56 -4.533 -4.632 5.722 117 HB2 PHE 56 2HB PHE 56 -6.782 -6.511 6.610 118 HB3 PHE 56 1HB PHE 56 -5.060 -6.763 6.858 119 HD1 PHE 56 HD2 PHE 56 -8.000 -4.765 7.929 120 HD2 PHE 56 HD1 PHE 56 -3.916 -5.711 8.726 121 HE1 PHE 56 HE2 PHE 56 -8.171 -3.675 10.127 122 HE2 PHE 56 HE1 PHE 56 -4.096 -4.618 10.917 123 HZ PHE 56 HZ PHE 56 -6.219 -3.602 11.622 124 H GLY 57 H GLY 57 -3.592 -5.922 4.131 125 HA2 GLY 57 2HA GLY 57 -5.064 -7.699 2.421 126 HA3 GLY 57 1HA GLY 57 -4.659 -6.189 1.607 127 H THR 58 H THR 58 -3.631 -8.228 0.430 128 HA THR 58 HA THR 58 -0.808 -8.510 1.313 129 HB THR 58 HB THR 58 -2.378 -10.380 -0.538 130 HG1 THR 58 HG1 THR 58 -2.149 -10.252 2.243 131 HG21 THR 58 3HG2 THR 58 -0.524 -11.960 -0.142 132 HG22 THR 58 1HG2 THR 58 0.295 -10.780 0.883 133 HG23 THR 58 2HG2 THR 58 0.098 -10.468 -0.845 134 H VAL 59 H VAL 59 0.794 -7.943 -0.208 135 HA VAL 59 HA VAL 59 0.042 -6.151 -2.331 136 HB VAL 59 HB VAL 59 2.805 -7.261 -1.630 137 HG11 VAL 59 1HG1 VAL 59 2.060 -4.821 -3.298 138 HG12 VAL 59 2HG1 VAL 59 2.778 -6.312 -3.910 139 HG13 VAL 59 3HG1 VAL 59 3.699 -5.268 -2.825 140 HG21 VAL 59 3HG2 VAL 59 1.492 -4.668 -0.726 141 HG22 VAL 59 1HG2 VAL 59 3.150 -5.166 -0.375 142 HG23 VAL 59 2HG2 VAL 59 1.798 -6.083 0.285 143 H ALA 60 H ALA 60 -0.243 -6.637 -4.466 144 HA ALA 60 HA ALA 60 0.159 -9.285 -5.524 145 HB1 ALA 60 3HB ALA 60 -0.570 -8.336 -7.678 146 HB2 ALA 60 1HB ALA 60 -0.485 -6.703 -7.009 147 HB3 ALA 60 2HB ALA 60 -1.665 -7.853 -6.382 148 H ALA 61 H ALA 61 1.852 -10.049 -6.658 149 HA ALA 61 HA ALA 61 4.318 -8.609 -6.926 150 HB1 ALA 61 3HB ALA 61 4.275 -11.017 -6.463 151 HB2 ALA 61 1HB ALA 61 5.146 -10.688 -7.967 152 HB3 ALA 61 2HB ALA 61 3.494 -11.310 -8.019 153 H ASP 62 H ASP 62 1.538 -8.403 -8.696 154 HA ASP 62 HA ASP 62 2.964 -7.322 -11.030 155 HB2 ASP 62 2HB ASP 62 1.829 -9.530 -11.549 156 HB3 ASP 62 1HB ASP 62 0.286 -8.784 -11.151 157 H GLY 63 H GLY 63 2.594 -5.248 -11.211 158 HA2 GLY 63 2HA GLY 63 1.013 -3.385 -11.541 159 HA3 GLY 63 1HA GLY 63 0.089 -3.987 -10.172 160 H LEU 64 H LEU 64 3.124 -4.459 -9.182 161 HA LEU 64 HA LEU 64 3.241 -2.165 -7.451 162 HB2 LEU 64 2HB LEU 64 4.018 -4.642 -7.046 163 HB3 LEU 64 1HB LEU 64 5.494 -4.173 -7.860 164 HG LEU 64 HG LEU 64 4.446 -2.896 -5.290 165 HD11 LEU 64 1HD1 LEU 64 6.667 -4.947 -5.607 166 HD12 LEU 64 2HD1 LEU 64 5.076 -5.232 -4.895 167 HD13 LEU 64 3HD1 LEU 64 6.205 -4.132 -4.109 168 HD21 LEU 64 3HD2 LEU 64 6.676 -1.882 -5.070 169 HD22 LEU 64 1HD2 LEU 64 5.872 -1.340 -6.543 170 HD23 LEU 64 2HD2 LEU 64 7.152 -2.554 -6.633 171 H THR 65 H THR 65 3.739 -0.230 -8.367 172 HA THR 65 HA THR 65 6.166 0.067 -10.010 173 HB THR 65 HB THR 65 3.529 1.434 -10.744 174 HG1 THR 65 HG1 THR 65 3.345 -0.800 -11.147 175 HG21 THR 65 3HG2 THR 65 4.685 1.968 -12.862 176 HG22 THR 65 1HG2 THR 65 6.148 1.164 -12.282 177 HG23 THR 65 2HG2 THR 65 5.572 2.633 -11.490 178 H MET 66 H MET 66 7.381 1.836 -9.353 179 HA MET 66 HA MET 66 6.371 3.306 -6.991 180 HB2 MET 66 2HB MET 66 9.256 2.942 -7.903 181 HB3 MET 66 1HB MET 66 8.722 3.617 -6.367 182 HG2 MET 66 2HG MET 66 7.689 1.360 -5.852 183 HG3 MET 66 1HG MET 66 8.487 0.745 -7.297 184 HE1 MET 66 3HE MET 66 10.701 2.270 -3.523 185 HE2 MET 66 1HE MET 66 8.948 2.064 -3.617 186 HE3 MET 66 2HE MET 66 9.744 3.332 -4.550 187 H LEU 67 H LEU 67 7.192 5.598 -6.725 188 HA LEU 67 HA LEU 67 6.498 7.101 -9.121 189 HB2 LEU 67 2HB LEU 67 7.178 8.103 -6.319 190 HB3 LEU 67 1HB LEU 67 6.453 9.054 -7.608 191 HG LEU 67 HG LEU 67 5.138 6.704 -6.174 192 HD11 LEU 67 1HD1 LEU 67 3.614 8.393 -5.226 193 HD12 LEU 67 2HD1 LEU 67 4.550 9.678 -5.995 194 HD13 LEU 67 3HD1 LEU 67 5.289 8.672 -4.746 195 HD21 LEU 67 3HD2 LEU 67 3.085 7.290 -7.423 196 HD22 LEU 67 1HD2 LEU 67 4.386 6.784 -8.501 197 HD23 LEU 67 2HD2 LEU 67 3.985 8.497 -8.347 198 H ASP 68 H ASP 68 7.862 8.339 -10.364 199 HA ASP 68 HA ASP 68 10.708 7.967 -10.207 200 HB2 ASP 68 2HB ASP 68 9.020 9.719 -12.043 201 HB3 ASP 68 1HB ASP 68 10.764 9.535 -12.205 202 H GLY 69 H GLY 69 11.922 9.019 -8.755 203 HA2 GLY 69 2HA GLY 69 13.089 10.841 -7.902 204 HA3 GLY 69 1HA GLY 69 11.937 11.928 -8.662 205 H ALA 70 H ALA 70 9.569 11.333 -7.666 206 HA ALA 70 HA ALA 70 9.499 12.323 -5.032 207 HB1 ALA 70 3HB ALA 70 7.670 12.668 -6.626 208 HB2 ALA 70 1HB ALA 70 7.065 11.890 -5.163 209 HB3 ALA 70 2HB ALA 70 7.311 10.941 -6.634 210 HA PRO 71 HA PRO 71 10.093 8.414 -2.739 211 HB2 PRO 71 2HB PRO 71 8.943 10.011 -0.464 212 HB3 PRO 71 1HB PRO 71 10.469 9.118 -0.553 213 HG2 PRO 71 2HG PRO 71 10.456 11.789 -0.633 214 HG3 PRO 71 1HG PRO 71 11.581 10.863 -1.650 215 HD2 PRO 71 2HD PRO 71 8.969 12.175 -2.427 216 HD3 PRO 71 1HD PRO 71 10.531 12.175 -3.281 217 H GLY 72 H GLY 72 8.590 6.887 -3.215 218 HA2 GLY 72 2HA GLY 72 6.259 6.417 -1.875 219 HA3 GLY 72 1HA GLY 72 5.756 7.416 -3.235 220 H VAL 73 H VAL 73 4.588 5.196 -3.176 221 HA VAL 73 HA VAL 73 5.504 3.628 -5.405 222 HB VAL 73 HB VAL 73 6.614 2.443 -3.516 223 HG11 VAL 73 1HG1 VAL 73 5.122 3.033 -1.640 224 HG12 VAL 73 2HG1 VAL 73 5.329 1.286 -1.742 225 HG13 VAL 73 3HG1 VAL 73 3.840 2.020 -2.331 226 HG21 VAL 73 3HG2 VAL 73 4.292 0.848 -4.679 227 HG22 VAL 73 1HG2 VAL 73 5.748 0.161 -3.961 228 HG23 VAL 73 2HG2 VAL 73 5.861 1.112 -5.446 229 H ARG 74 H ARG 74 3.712 3.267 -6.613 230 HA ARG 74 HA ARG 74 1.094 2.903 -5.291 231 HB2 ARG 74 2HB ARG 74 1.141 4.442 -7.257 232 HB3 ARG 74 1HB ARG 74 1.763 3.136 -8.258 233 HG2 ARG 74 2HG ARG 74 -0.376 1.842 -7.712 234 HG3 ARG 74 1HG ARG 74 -0.985 3.324 -6.967 235 HD2 ARG 74 2HD ARG 74 -1.789 3.024 -9.288 236 HD3 ARG 74 1HD ARG 74 -0.831 4.498 -9.099 237 HE ARG 74 HE ARG 74 1.063 3.218 -10.060 238 HH11 ARG 74 1HH1 ARG 74 -2.192 2.152 -10.856 239 HH12 ARG 74 2HH1 ARG 74 -1.702 1.410 -12.343 240 HH21 ARG 74 1HH2 ARG 74 1.692 2.241 -11.973 241 HH22 ARG 74 2HH2 ARG 74 0.519 1.454 -12.980 242 H PHE 75 H PHE 75 0.070 0.897 -5.468 243 HA PHE 75 HA PHE 75 1.161 -1.248 -7.052 244 HB2 PHE 75 2HB PHE 75 1.654 -2.808 -5.187 245 HB3 PHE 75 1HB PHE 75 2.723 -1.417 -5.166 246 HD1 PHE 75 HD2 PHE 75 2.380 0.391 -3.419 247 HD2 PHE 75 HD1 PHE 75 0.232 -3.310 -3.296 248 HE1 PHE 75 HE2 PHE 75 1.862 0.765 -1.041 249 HE2 PHE 75 HE1 PHE 75 -0.283 -2.925 -0.925 250 HZ PHE 75 HZ PHE 75 0.530 -0.896 0.201 251 H ARG 76 H ARG 76 -0.100 -3.284 -6.719 252 HA ARG 76 HA ARG 76 -2.940 -2.554 -6.434 253 HB2 ARG 76 2HB ARG 76 -2.204 -3.433 -8.634 254 HB3 ARG 76 1HB ARG 76 -1.613 -4.902 -7.862 255 HG2 ARG 76 2HG ARG 76 -3.835 -5.605 -7.297 256 HG3 ARG 76 1HG ARG 76 -4.514 -4.035 -7.743 257 HD2 ARG 76 2HD ARG 76 -4.958 -5.758 -9.453 258 HD3 ARG 76 1HD ARG 76 -3.983 -4.431 -10.085 259 HE ARG 76 HE ARG 76 -2.161 -6.329 -9.282 260 HH11 ARG 76 1HH1 ARG 76 -4.881 -6.379 -11.489 261 HH12 ARG 76 2HH1 ARG 76 -4.134 -7.503 -12.577 262 HH21 ARG 76 1HH2 ARG 76 -1.189 -7.767 -10.727 263 HH22 ARG 76 2HH2 ARG 76 -2.020 -8.262 -12.163 264 H LEU 77 H LEU 77 -3.530 -2.931 -4.406 265 HA LEU 77 HA LEU 77 -2.409 -5.051 -2.788 266 HB2 LEU 77 2HB LEU 77 -3.011 -2.742 -1.903 267 HB3 LEU 77 1HB LEU 77 -4.703 -3.165 -2.099 268 HG LEU 77 HG LEU 77 -4.352 -5.078 -0.488 269 HD11 LEU 77 1HD1 LEU 77 -1.959 -5.400 -0.804 270 HD12 LEU 77 2HD1 LEU 77 -2.321 -5.100 0.891 271 HD13 LEU 77 3HD1 LEU 77 -1.630 -3.813 -0.099 272 HD21 LEU 77 3HD2 LEU 77 -4.289 -3.704 1.549 273 HD22 LEU 77 1HD2 LEU 77 -5.302 -2.957 0.312 274 HD23 LEU 77 2HD2 LEU 77 -3.678 -2.332 0.618 275 H GLU 78 H GLU 78 -3.146 -7.031 -3.016 276 HA GLU 78 HA GLU 78 -5.726 -7.851 -3.936 277 HB2 GLU 78 2HB GLU 78 -3.764 -9.500 -2.267 278 HB3 GLU 78 1HB GLU 78 -4.985 -10.109 -3.383 279 HG2 GLU 78 2HG GLU 78 -2.578 -8.473 -4.208 280 HG3 GLU 78 1HG GLU 78 -2.593 -10.234 -4.181 281 H ASP 79 H ASP 79 -7.173 -6.708 -2.661 282 HA ASP 79 HA ASP 79 -7.231 -6.564 0.149 283 HB2 ASP 79 2HB ASP 79 -8.517 -4.970 -1.140 284 HB3 ASP 79 1HB ASP 79 -9.440 -6.254 -1.918 285 H LYS 80 H LYS 80 -8.043 -7.900 1.689 286 HA LYS 80 HA LYS 80 -8.212 -10.676 0.987 287 HB2 LYS 80 2HB LYS 80 -7.058 -9.755 3.047 288 HB3 LYS 80 1HB LYS 80 -8.643 -9.408 3.723 289 HG2 LYS 80 2HG LYS 80 -7.692 -11.479 4.635 290 HG3 LYS 80 1HG LYS 80 -9.190 -11.784 3.756 291 HD2 LYS 80 2HD LYS 80 -7.474 -13.516 3.291 292 HD3 LYS 80 1HD LYS 80 -7.941 -12.643 1.835 293 HE2 LYS 80 2HE LYS 80 -5.509 -13.060 1.928 294 HE3 LYS 80 1HE LYS 80 -5.856 -11.329 1.939 295 HZ1 LYS 80 3HZ LYS 80 -4.143 -11.954 3.546 296 HZ2 LYS 80 1HZ LYS 80 -5.240 -12.969 4.336 297 HZ3 LYS 80 2HZ LYS 80 -5.498 -11.298 4.309 298 H ASP 81 H ASP 81 -10.531 -8.222 2.062 299 HA ASP 81 HA ASP 81 -12.734 -9.987 2.539 300 HB2 ASP 81 2HB ASP 81 -12.569 -6.980 2.104 301 HB3 ASP 81 1HB ASP 81 -14.100 -7.799 2.400 302 H ASN 82 H ASN 82 -11.776 -7.960 -0.219 303 HA ASN 82 HA ASN 82 -13.473 -9.578 -2.011 304 HB2 ASN 82 2HB ASN 82 -14.713 -7.456 -1.382 305 HB3 ASN 82 1HB ASN 82 -13.416 -6.522 -2.110 306 HD21 ASN 82 1HD2 ASN 82 -16.154 -6.416 -2.847 307 HD22 ASN 82 2HD2 ASN 82 -16.288 -6.950 -4.485 308 H THR 83 H THR 83 -11.572 -10.575 -2.702 309 HA THR 83 HA THR 83 -9.290 -9.111 -3.703 310 HB THR 83 HB THR 83 -9.009 -11.322 -2.658 311 HG1 THR 83 HG1 THR 83 -7.996 -10.638 -5.087 312 HG21 THR 83 3HG2 THR 83 -10.488 -12.455 -5.057 313 HG22 THR 83 1HG2 THR 83 -11.077 -12.442 -3.392 314 HG23 THR 83 2HG2 THR 83 -9.663 -13.408 -3.824 315 H SER 84 H SER 84 -12.278 -10.218 -5.020 316 HA SER 84 HA SER 84 -11.691 -10.101 -7.801 317 HB2 SER 84 2HB SER 84 -13.724 -11.197 -6.920 318 HB3 SER 84 1HB SER 84 -14.341 -9.647 -6.349 319 HG SER 84 HG SER 84 -14.440 -8.961 -8.528 320 H LYS 85 H LYS 85 -12.001 -7.656 -5.440 321 HA LYS 85 HA LYS 85 -11.772 -5.529 -7.473 322 HB2 LYS 85 2HB LYS 85 -13.650 -5.425 -5.067 323 HB3 LYS 85 1HB LYS 85 -13.125 -3.982 -5.926 324 HG2 LYS 85 2HG LYS 85 -14.701 -6.282 -7.140 325 HG3 LYS 85 1HG LYS 85 -15.357 -4.706 -6.679 326 HD2 LYS 85 2HD LYS 85 -13.989 -3.586 -8.372 327 HD3 LYS 85 1HD LYS 85 -13.165 -5.098 -8.765 328 HE2 LYS 85 2HE LYS 85 -14.827 -4.582 -10.470 329 HE3 LYS 85 1HE LYS 85 -15.309 -6.028 -9.588 330 HZ1 LYS 85 3HZ LYS 85 -16.850 -4.678 -8.302 331 HZ2 LYS 85 1HZ LYS 85 -17.174 -4.548 -9.952 332 HZ3 LYS 85 2HZ LYS 85 -16.379 -3.291 -9.148 333 H THR 86 H THR 86 -9.594 -5.521 -7.181 334 HA THR 86 HA THR 86 -8.334 -5.274 -4.586 335 HB THR 86 HB THR 86 -6.216 -5.120 -5.956 336 HG1 THR 86 HG1 THR 86 -6.917 -5.808 -8.325 337 HG21 THR 86 3HG2 THR 86 -7.073 -7.350 -5.286 338 HG22 THR 86 1HG2 THR 86 -6.295 -7.409 -6.874 339 HG23 THR 86 2HG2 THR 86 -8.056 -7.413 -6.753 340 H VAL 87 H VAL 87 -7.044 -3.462 -3.925 341 HA VAL 87 HA VAL 87 -8.076 -0.847 -4.865 342 HB VAL 87 HB VAL 87 -6.662 -1.468 -2.218 343 HG11 VAL 87 1HG1 VAL 87 -8.265 0.979 -3.070 344 HG12 VAL 87 2HG1 VAL 87 -6.514 0.898 -2.873 345 HG13 VAL 87 3HG1 VAL 87 -7.563 0.710 -1.470 346 HG21 VAL 87 3HG2 VAL 87 -8.766 -2.733 -2.304 347 HG22 VAL 87 1HG2 VAL 87 -9.655 -1.265 -2.722 348 HG23 VAL 87 2HG2 VAL 87 -8.888 -1.413 -1.139 349 H TRP 88 H TRP 88 -6.649 0.532 -5.899 350 HA TRP 88 HA TRP 88 -3.814 -0.087 -6.117 351 HB2 TRP 88 2HB TRP 88 -5.517 2.201 -7.186 352 HB3 TRP 88 1HB TRP 88 -3.772 2.131 -7.413 353 HD1 TRP 88 HD1 TRP 88 -6.979 0.821 -8.899 354 HE1 TRP 88 HE1 TRP 88 -6.438 -0.757 -10.857 355 HE3 TRP 88 HE3 TRP 88 -1.946 0.305 -8.154 356 HZ2 TRP 88 HZ2 TRP 88 -4.174 -2.053 -11.943 357 HZ3 TRP 88 HZ3 TRP 88 -0.664 -1.124 -9.694 358 HH2 TRP 88 HH2 TRP 88 -1.752 -2.277 -11.552 359 H VAL 89 H VAL 89 -2.750 0.202 -4.192 360 HA VAL 89 HA VAL 89 -3.419 2.460 -2.475 361 HB VAL 89 HB VAL 89 -1.303 0.308 -2.089 362 HG11 VAL 89 1HG1 VAL 89 -2.472 2.306 -0.104 363 HG12 VAL 89 2HG1 VAL 89 -0.840 2.351 -0.776 364 HG13 VAL 89 3HG1 VAL 89 -1.319 1.024 0.284 365 HG21 VAL 89 3HG2 VAL 89 -2.923 -0.760 -0.564 366 HG22 VAL 89 1HG2 VAL 89 -3.564 -0.665 -2.209 367 HG23 VAL 89 2HG2 VAL 89 -4.123 0.467 -0.976 368 H LEU 90 H LEU 90 -2.662 4.308 -3.094 369 HA LEU 90 HA LEU 90 0.060 4.676 -4.138 370 HB2 LEU 90 2HB LEU 90 -1.816 5.890 -5.231 371 HB3 LEU 90 1HB LEU 90 -2.215 6.661 -3.705 372 HG LEU 90 HG LEU 90 -0.019 7.843 -3.734 373 HD11 LEU 90 1HD1 LEU 90 1.311 6.240 -5.017 374 HD12 LEU 90 2HD1 LEU 90 1.387 7.841 -5.748 375 HD13 LEU 90 3HD1 LEU 90 0.369 6.591 -6.470 376 HD21 LEU 90 3HD2 LEU 90 -2.000 8.967 -4.629 377 HD22 LEU 90 1HD2 LEU 90 -1.691 8.282 -6.230 378 HD23 LEU 90 2HD2 LEU 90 -0.559 9.440 -5.526 379 H TYR 91 H TYR 91 1.251 4.201 -2.371 380 HA TYR 91 HA TYR 91 0.964 5.719 0.141 381 HB2 TYR 91 2HB TYR 91 1.488 3.372 0.501 382 HB3 TYR 91 1HB TYR 91 2.825 3.422 -0.647 383 HD1 TYR 91 HD1 TYR 91 1.728 5.191 2.510 384 HD2 TYR 91 HD2 TYR 91 5.006 3.576 0.290 385 HE1 TYR 91 HE1 TYR 91 3.264 5.780 4.336 386 HE2 TYR 91 HE2 TYR 91 6.526 4.158 2.124 387 HH TYR 91 HH TYR 91 6.643 5.719 3.991 388 H LYS 92 H LYS 92 1.823 7.738 0.038 389 HA LYS 92 HA LYS 92 4.315 8.217 -1.479 390 HB2 LYS 92 2HB LYS 92 2.102 10.094 -0.550 391 HB3 LYS 92 1HB LYS 92 3.620 10.660 -1.251 392 HG2 LYS 92 2HG LYS 92 3.146 9.574 -3.356 393 HG3 LYS 92 1HG LYS 92 1.745 8.740 -2.681 394 HD2 LYS 92 2HD LYS 92 1.977 11.755 -2.979 395 HD3 LYS 92 1HD LYS 92 1.182 10.696 -4.145 396 HE2 LYS 92 2HE LYS 92 -0.405 9.975 -2.359 397 HE3 LYS 92 1HE LYS 92 0.364 11.112 -1.249 398 HZ1 LYS 92 3HZ LYS 92 -1.657 11.966 -2.278 399 HZ2 LYS 92 1HZ LYS 92 -0.942 11.848 -3.796 400 HZ3 LYS 92 2HZ LYS 92 -0.306 12.913 -2.650 401 H GLY 93 H GLY 93 6.059 8.231 -0.354 402 HA2 GLY 93 2HA GLY 93 7.003 9.644 1.703 403 HA3 GLY 93 1HA GLY 93 6.112 8.380 2.558 404 H ALA 94 H ALA 94 8.566 8.208 3.232 405 HA ALA 94 HA ALA 94 10.343 6.747 1.573 406 HB1 ALA 94 3HB ALA 94 10.185 6.846 4.613 407 HB2 ALA 94 1HB ALA 94 11.102 7.950 3.585 408 HB3 ALA 94 2HB ALA 94 11.553 6.248 3.668 409 H VAL 95 H VAL 95 9.926 4.790 0.772 410 HA VAL 95 HA VAL 95 7.858 3.063 1.834 411 HB VAL 95 HB VAL 95 9.761 2.571 -0.509 412 HG11 VAL 95 1HG1 VAL 95 8.677 0.492 0.283 413 HG12 VAL 95 2HG1 VAL 95 8.067 0.952 -1.308 414 HG13 VAL 95 3HG1 VAL 95 7.088 1.249 0.130 415 HG21 VAL 95 3HG2 VAL 95 8.502 4.653 -0.870 416 HG22 VAL 95 1HG2 VAL 95 6.984 3.816 -0.539 417 HG23 VAL 95 2HG2 VAL 95 7.929 3.395 -1.970 418 HA PRO 96 HA PRO 96 10.676 0.875 4.606 419 HB2 PRO 96 2HB PRO 96 9.153 -1.461 4.915 420 HB3 PRO 96 1HB PRO 96 8.917 0.030 5.833 421 HG2 PRO 96 2HG PRO 96 7.459 -0.929 3.377 422 HG3 PRO 96 1HG PRO 96 6.798 -0.176 4.845 423 HD2 PRO 96 2HD PRO 96 7.116 1.263 2.607 424 HD3 PRO 96 1HD PRO 96 7.473 1.985 4.194 425 H ASP 97 H ASP 97 12.326 -0.567 4.377 426 HA ASP 97 HA ASP 97 13.023 -1.630 1.840 427 HB2 ASP 97 2HB ASP 97 14.662 -0.870 3.558 428 HB3 ASP 97 1HB ASP 97 14.215 -2.230 4.584 429 H THR 98 H THR 98 11.326 -2.956 4.555 430 HA THR 98 HA THR 98 11.496 -5.742 3.843 431 HB THR 98 HB THR 98 9.690 -5.960 5.640 432 HG1 THR 98 HG1 THR 98 8.669 -4.070 5.833 433 HG21 THR 98 3HG2 THR 98 12.082 -6.209 6.197 434 HG22 THR 98 1HG2 THR 98 11.204 -5.423 7.511 435 HG23 THR 98 2HG2 THR 98 12.219 -4.464 6.432 436 H PHE 99 H PHE 99 9.758 -3.190 2.523 437 HA PHE 99 HA PHE 99 7.263 -4.450 1.902 438 HB2 PHE 99 2HB PHE 99 7.439 -2.005 1.879 439 HB3 PHE 99 1HB PHE 99 8.642 -2.065 0.598 440 HD1 PHE 99 HD1 PHE 99 5.092 -3.089 1.301 441 HD2 PHE 99 HD2 PHE 99 7.920 -1.786 -1.632 442 HE1 PHE 99 HE1 PHE 99 3.298 -2.930 -0.369 443 HE2 PHE 99 HE2 PHE 99 6.116 -1.635 -3.292 444 HZ PHE 99 HZ PHE 99 3.810 -2.209 -2.662 445 H LYS 100 H LYS 100 7.526 -6.399 1.004 446 HA LYS 100 HA LYS 100 8.998 -6.698 -1.551 447 HB2 LYS 100 2HB LYS 100 8.988 -9.159 -1.000 448 HB3 LYS 100 1HB LYS 100 9.883 -8.193 0.165 449 HG2 LYS 100 2HG LYS 100 8.153 -8.384 1.806 450 HG3 LYS 100 1HG LYS 100 7.018 -9.053 0.631 451 HD2 LYS 100 2HD LYS 100 8.397 -11.096 0.463 452 HD3 LYS 100 1HD LYS 100 9.538 -10.431 1.638 453 HE2 LYS 100 2HE LYS 100 7.871 -10.493 3.390 454 HE3 LYS 100 1HE LYS 100 6.595 -10.906 2.240 455 HZ1 LYS 100 3HZ LYS 100 8.907 -12.605 2.963 456 HZ2 LYS 100 1HZ LYS 100 7.727 -13.005 1.826 457 HZ3 LYS 100 2HZ LYS 100 7.306 -12.831 3.455 458 HA PRO 101 HA PRO 101 5.033 -7.654 -3.562 459 HB2 PRO 101 2HB PRO 101 6.400 -9.729 -5.216 460 HB3 PRO 101 1HB PRO 101 5.613 -8.230 -5.727 461 HG2 PRO 101 2HG PRO 101 8.296 -8.515 -5.795 462 HG3 PRO 101 1HG PRO 101 7.534 -6.955 -5.413 463 HD2 PRO 101 2HD PRO 101 8.731 -8.995 -3.530 464 HD3 PRO 101 1HD PRO 101 8.904 -7.221 -3.541 465 H GLY 102 H GLY 102 3.620 -8.757 -2.258 466 HA2 GLY 102 2HA GLY 102 2.429 -10.858 -2.036 467 HA3 GLY 102 1HA GLY 102 3.968 -11.696 -1.930 468 H VAL 103 H VAL 103 4.238 -8.885 -0.088 469 HA VAL 103 HA VAL 103 3.783 -10.341 2.402 470 HB VAL 103 HB VAL 103 5.790 -8.874 2.143 471 HG11 VAL 103 1HG1 VAL 103 5.633 -6.431 2.308 472 HG12 VAL 103 2HG1 VAL 103 3.872 -6.533 2.278 473 HG13 VAL 103 3HG1 VAL 103 4.801 -7.017 0.861 474 HG21 VAL 103 3HG2 VAL 103 3.958 -8.059 4.425 475 HG22 VAL 103 1HG2 VAL 103 5.715 -7.876 4.397 476 HG23 VAL 103 2HG2 VAL 103 4.995 -9.488 4.393 477 H GLU 104 H GLU 104 2.144 -9.958 3.875 478 HA GLU 104 HA GLU 104 -0.156 -8.431 3.094 479 HB2 GLU 104 2HB GLU 104 0.510 -9.686 5.790 480 HB3 GLU 104 1HB GLU 104 -1.062 -9.042 5.308 481 HG2 GLU 104 2HG GLU 104 -1.061 -10.762 3.431 482 HG3 GLU 104 1HG GLU 104 0.359 -11.483 4.194 483 H VAL 105 H VAL 105 -0.065 -6.316 3.090 484 HA VAL 105 HA VAL 105 1.408 -4.857 5.205 485 HB VAL 105 HB VAL 105 1.277 -2.835 3.756 486 HG11 VAL 105 1HG1 VAL 105 2.970 -3.507 2.107 487 HG12 VAL 105 2HG1 VAL 105 2.594 -5.210 2.389 488 HG13 VAL 105 3HG1 VAL 105 3.287 -4.232 3.684 489 HG21 VAL 105 3HG2 VAL 105 0.623 -3.015 1.379 490 HG22 VAL 105 1HG2 VAL 105 -0.742 -3.365 2.444 491 HG23 VAL 105 2HG2 VAL 105 0.111 -4.684 1.639 492 H ILE 106 H ILE 106 0.465 -3.208 6.282 493 HA ILE 106 HA ILE 106 -2.476 -3.115 6.416 494 HB ILE 106 HB ILE 106 -0.400 -2.439 8.569 495 HG12 ILE 106 2HG1 ILE 106 -2.216 -4.888 8.362 496 HG13 ILE 106 1HG1 ILE 106 -0.480 -4.884 8.086 497 HG21 ILE 106 1HG2 ILE 106 -3.434 -2.566 8.773 498 HG22 ILE 106 2HG2 ILE 106 -2.444 -1.105 8.813 499 HG23 ILE 106 3HG2 ILE 106 -2.323 -2.278 10.122 500 HD11 ILE 106 3HD1 ILE 106 -1.052 -5.809 10.259 501 HD12 ILE 106 1HD1 ILE 106 -1.848 -4.301 10.711 502 HD13 ILE 106 2HD1 ILE 106 -0.107 -4.332 10.433 503 H ILE 107 H ILE 107 -3.048 -1.410 5.235 504 HA ILE 107 HA ILE 107 -1.337 0.987 5.034 505 HB ILE 107 HB ILE 107 -2.683 1.606 3.069 506 HG12 ILE 107 2HG1 ILE 107 -4.347 -0.915 3.571 507 HG13 ILE 107 1HG1 ILE 107 -4.901 0.724 3.876 508 HG21 ILE 107 1HG2 ILE 107 -1.873 -1.329 2.937 509 HG22 ILE 107 2HG2 ILE 107 -0.808 0.058 2.693 510 HG23 ILE 107 3HG2 ILE 107 -2.108 -0.264 1.546 511 HD11 ILE 107 3HD1 ILE 107 -4.229 -0.455 1.191 512 HD12 ILE 107 1HD1 ILE 107 -4.763 1.201 1.476 513 HD13 ILE 107 2HD1 ILE 107 -5.838 -0.148 1.840 514 H GLU 108 H GLU 108 -2.125 3.008 5.655 515 HA GLU 108 HA GLU 108 -4.871 3.264 6.640 516 HB2 GLU 108 2HB GLU 108 -3.483 2.585 8.615 517 HB3 GLU 108 1HB GLU 108 -2.462 4.003 8.376 518 HG2 GLU 108 2HG GLU 108 -4.351 5.484 8.823 519 HG3 GLU 108 1HG GLU 108 -5.445 4.105 8.938 520 H GLY 109 H GLY 109 -5.660 5.303 6.439 521 HA2 GLY 109 2HA GLY 109 -4.681 7.753 5.995 522 HA3 GLY 109 1HA GLY 109 -4.342 6.957 4.449 523 H GLY 110 H GLY 110 -5.959 7.225 2.963 524 HA2 GLY 110 2HA GLY 110 -8.677 6.579 3.571 525 HA3 GLY 110 1HA GLY 110 -8.455 8.317 3.389 526 H LEU 111 H LEU 111 -9.805 6.109 1.793 527 HA LEU 111 HA LEU 111 -8.601 6.390 -0.857 528 HB2 LEU 111 2HB LEU 111 -9.643 4.246 -0.231 529 HB3 LEU 111 1HB LEU 111 -11.157 5.054 0.135 530 HG LEU 111 HG LEU 111 -11.433 5.610 -2.285 531 HD11 LEU 111 1HD1 LEU 111 -10.031 4.531 -3.983 532 HD12 LEU 111 2HD1 LEU 111 -8.965 3.902 -2.722 533 HD13 LEU 111 3HD1 LEU 111 -9.093 5.643 -2.986 534 HD21 LEU 111 3HD2 LEU 111 -11.060 2.650 -1.727 535 HD22 LEU 111 1HD2 LEU 111 -12.023 3.342 -3.034 536 HD23 LEU 111 2HD2 LEU 111 -12.502 3.598 -1.359 537 H ALA 112 H ALA 112 -9.180 7.972 -2.272 538 HA ALA 112 HA ALA 112 -11.074 10.006 -1.467 539 HB1 ALA 112 3HB ALA 112 -10.297 11.188 -3.493 540 HB2 ALA 112 1HB ALA 112 -9.363 9.769 -3.969 541 HB3 ALA 112 2HB ALA 112 -8.941 10.651 -2.505 542 HA PRO 113 HA PRO 113 -14.552 7.950 -3.299 543 HB2 PRO 113 2HB PRO 113 -16.287 10.067 -3.703 544 HB3 PRO 113 1HB PRO 113 -15.940 9.369 -2.116 545 HG2 PRO 113 2HG PRO 113 -14.715 11.799 -3.423 546 HG3 PRO 113 1HG PRO 113 -15.341 11.626 -1.768 547 HD2 PRO 113 2HD PRO 113 -12.708 11.480 -2.248 548 HD3 PRO 113 1HD PRO 113 -13.462 10.401 -1.050 549 H GLY 114 H GLY 114 -12.966 10.462 -5.129 550 HA2 GLY 114 2HA GLY 114 -14.248 9.661 -7.665 551 HA3 GLY 114 1HA GLY 114 -13.154 11.014 -7.413 552 H GLU 115 H GLU 115 -11.226 9.336 -5.915 553 HA GLU 115 HA GLU 115 -9.774 8.467 -8.325 554 HB2 GLU 115 2HB GLU 115 -8.830 9.293 -5.557 555 HB3 GLU 115 1HB GLU 115 -7.760 8.507 -6.705 556 HG2 GLU 115 2HG GLU 115 -7.403 10.900 -6.759 557 HG3 GLU 115 1HG GLU 115 -8.070 10.358 -8.295 558 H ASP 116 H ASP 116 -9.030 6.459 -8.647 559 HA ASP 116 HA ASP 116 -10.110 4.202 -7.268 560 HB2 ASP 116 2HB ASP 116 -7.837 4.353 -9.307 561 HB3 ASP 116 1HB ASP 116 -8.615 2.862 -8.778 562 H THR 117 H THR 117 -7.209 6.090 -6.949 563 HA THR 117 HA THR 117 -5.714 4.051 -5.557 564 HB THR 117 HB THR 117 -3.914 5.727 -5.402 565 HG1 THR 117 HG1 THR 117 -4.749 7.712 -5.271 566 HG21 THR 117 3HG2 THR 117 -4.049 4.403 -7.464 567 HG22 THR 117 1HG2 THR 117 -3.490 6.039 -7.826 568 HG23 THR 117 2HG2 THR 117 -5.158 5.579 -8.172 569 H PHE 118 H PHE 118 -5.672 3.727 -3.456 570 HA PHE 118 HA PHE 118 -6.923 5.398 -1.469 571 HB2 PHE 118 2HB PHE 118 -6.807 2.895 -1.308 572 HB3 PHE 118 1HB PHE 118 -5.060 2.985 -1.165 573 HD1 PHE 118 HD1 PHE 118 -4.044 3.938 0.954 574 HD2 PHE 118 HD2 PHE 118 -8.247 3.254 0.597 575 HE1 PHE 118 HE1 PHE 118 -4.277 4.045 3.403 576 HE2 PHE 118 HE2 PHE 118 -8.465 3.364 3.044 577 HZ PHE 118 HZ PHE 118 -6.482 3.760 4.443 578 H LYS 119 H LYS 119 -5.944 7.203 -0.678 579 HA LYS 119 HA LYS 119 -3.120 7.752 -0.930 580 HB2 LYS 119 2HB LYS 119 -4.752 9.603 -1.031 581 HB3 LYS 119 1HB LYS 119 -5.356 9.202 0.572 582 HG2 LYS 119 2HG LYS 119 -3.168 9.852 1.549 583 HG3 LYS 119 1HG LYS 119 -2.584 10.277 -0.066 584 HD2 LYS 119 2HD LYS 119 -4.280 12.037 -0.252 585 HD3 LYS 119 1HD LYS 119 -4.990 11.552 1.292 586 HE2 LYS 119 2HE LYS 119 -3.625 13.562 1.560 587 HE3 LYS 119 1HE LYS 119 -2.913 12.219 2.455 588 HZ1 LYS 119 3HZ LYS 119 -2.029 13.170 -0.213 589 HZ2 LYS 119 1HZ LYS 119 -1.329 11.919 0.679 590 HZ3 LYS 119 2HZ LYS 119 -1.261 13.501 1.257 591 H ALA 120 H ALA 120 -1.985 6.188 0.224 592 HA ALA 120 HA ALA 120 -2.663 5.492 2.969 593 HB1 ALA 120 3HB ALA 120 -1.892 3.733 1.435 594 HB2 ALA 120 1HB ALA 120 -0.775 3.910 2.793 595 HB3 ALA 120 2HB ALA 120 -0.359 4.574 1.211 596 H ARG 121 H ARG 121 -2.191 6.997 4.416 597 HA ARG 121 HA ARG 121 -0.035 8.811 4.485 598 HB2 ARG 121 2HB ARG 121 -2.080 9.032 5.874 599 HB3 ARG 121 1HB ARG 121 -1.652 7.585 6.774 600 HG2 ARG 121 2HG ARG 121 -1.159 9.575 8.095 601 HG3 ARG 121 1HG ARG 121 0.345 8.747 7.677 602 HD2 ARG 121 2HD ARG 121 0.553 11.208 7.446 603 HD3 ARG 121 1HD ARG 121 0.775 10.385 5.898 604 HE ARG 121 HE ARG 121 -1.927 11.288 6.419 605 HH11 ARG 121 1HH1 ARG 121 1.142 12.086 4.916 606 HH12 ARG 121 2HH1 ARG 121 0.480 13.367 3.958 607 HH21 ARG 121 1HH2 ARG 121 -2.797 12.935 5.117 608 HH22 ARG 121 2HH2 ARG 121 -1.763 13.843 4.059 609 H THR 122 H THR 122 -0.423 5.487 5.696 610 HA THR 122 HA THR 122 2.472 5.263 6.203 611 HB THR 122 HB THR 122 1.961 3.903 8.278 612 HG1 THR 122 HG1 THR 122 -0.624 5.087 8.131 613 HG21 THR 122 3HG2 THR 122 1.554 5.817 9.788 614 HG22 THR 122 1HG2 THR 122 1.035 6.799 8.415 615 HG23 THR 122 2HG2 THR 122 2.710 6.249 8.525 616 H LEU 123 H LEU 123 3.140 2.963 6.400 617 HA LEU 123 HA LEU 123 1.511 0.925 5.081 618 HB2 LEU 123 2HB LEU 123 2.586 2.245 3.227 619 HB3 LEU 123 1HB LEU 123 4.156 1.901 3.922 620 HG LEU 123 HG LEU 123 3.692 -0.576 3.520 621 HD11 LEU 123 1HD1 LEU 123 1.390 0.496 1.876 622 HD12 LEU 123 2HD1 LEU 123 1.260 -0.459 3.356 623 HD13 LEU 123 3HD1 LEU 123 1.960 -1.174 1.906 624 HD21 LEU 123 3HD2 LEU 123 5.192 0.681 2.061 625 HD22 LEU 123 1HD2 LEU 123 3.824 1.228 1.085 626 HD23 LEU 123 2HD2 LEU 123 4.257 -0.482 1.123 627 H MET 124 H MET 124 1.813 -0.746 6.523 628 HA MET 124 HA MET 124 4.561 -1.283 7.527 629 HB2 MET 124 2HB MET 124 3.133 -0.359 9.338 630 HB3 MET 124 1HB MET 124 1.960 -1.645 9.093 631 HG2 MET 124 2HG MET 124 3.637 -3.316 9.794 632 HG3 MET 124 1HG MET 124 4.834 -2.039 9.989 633 HE1 MET 124 3HE MET 124 0.971 -2.072 11.073 634 HE2 MET 124 1HE MET 124 1.153 -2.614 12.742 635 HE3 MET 124 2HE MET 124 1.565 -3.700 11.416 636 H THR 125 H THR 125 5.279 -3.080 6.715 637 HA THR 125 HA THR 125 3.716 -5.202 5.587 638 HB THR 125 HB THR 125 5.920 -6.264 5.186 639 HG1 THR 125 HG1 THR 125 7.108 -5.838 6.990 640 HG21 THR 125 3HG2 THR 125 7.023 -4.476 3.872 641 HG22 THR 125 1HG2 THR 125 6.015 -3.267 4.673 642 HG23 THR 125 2HG2 THR 125 5.277 -4.477 3.620 643 H LYS 126 H LYS 126 3.538 -7.372 6.387 644 HA LYS 126 HA LYS 126 3.677 -7.661 9.296 645 HB2 LYS 126 2HB LYS 126 1.611 -8.331 8.132 646 HB3 LYS 126 1HB LYS 126 2.511 -9.486 7.154 647 HG2 LYS 126 2HG LYS 126 3.066 -10.784 9.184 648 HG3 LYS 126 1HG LYS 126 2.180 -9.621 10.178 649 HD2 LYS 126 2HD LYS 126 0.982 -11.353 7.981 650 HD3 LYS 126 1HD LYS 126 0.866 -11.668 9.716 651 HE2 LYS 126 2HE LYS 126 -0.376 -9.545 10.008 652 HE3 LYS 126 1HE LYS 126 -0.268 -9.250 8.269 653 HZ1 LYS 126 3HZ LYS 126 -1.525 -11.279 7.906 654 HZ2 LYS 126 1HZ LYS 126 -2.387 -10.179 8.857 655 HZ3 LYS 126 2HZ LYS 126 -1.647 -11.516 9.580 656 H CYS 127 H CYS 127 4.567 -9.752 6.500 657 HA CYS 127 HA CYS 127 6.411 -11.329 8.013 658 HB2 CYS 127 2HB CYS 127 5.236 -12.274 6.074 659 HB3 CYS 127 1HB CYS 127 6.024 -11.122 4.998 660 HG CYS 127 HG CYS 127 8.534 -12.474 6.348 661 HA PRO 128 HA PRO 128 9.779 -8.268 7.658 662 HB2 PRO 128 2HB PRO 128 11.338 -10.230 9.281 663 HB3 PRO 128 1HB PRO 128 10.903 -8.559 9.654 664 HG2 PRO 128 2HG PRO 128 9.741 -10.614 10.944 665 HG3 PRO 128 1HG PRO 128 8.822 -9.150 10.528 666 HD2 PRO 128 2HD PRO 128 8.888 -11.812 9.078 667 HD3 PRO 128 1HD PRO 128 7.485 -10.820 9.551 668 H LEU 129 H LEU 129 11.393 -8.090 6.186 669 HA LEU 129 HA LEU 129 12.128 -10.463 4.584 670 HB2 LEU 129 2HB LEU 129 10.928 -8.626 3.419 671 HB3 LEU 129 1HB LEU 129 12.167 -7.483 3.906 672 HG LEU 129 HG LEU 129 13.825 -8.702 2.482 673 HD11 LEU 129 1HD1 LEU 129 13.070 -10.367 0.841 674 HD12 LEU 129 2HD1 LEU 129 11.467 -10.383 1.586 675 HD13 LEU 129 3HD1 LEU 129 12.875 -10.938 2.497 676 HD21 LEU 129 3HD2 LEU 129 12.636 -6.746 1.584 677 HD22 LEU 129 1HD2 LEU 129 11.344 -7.790 0.978 678 HD23 LEU 129 2HD2 LEU 129 12.977 -7.919 0.316 679 H GLU 130 H GLU 130 14.246 -11.022 4.333 680 HA GLU 130 HA GLU 130 16.444 -9.387 5.315 681 HB2 GLU 130 2HB GLU 130 17.288 -11.401 6.718 682 HB3 GLU 130 1HB GLU 130 15.993 -10.426 7.395 683 HG2 GLU 130 2HG GLU 130 14.340 -12.108 6.840 684 HG3 GLU 130 1HG GLU 130 15.531 -13.042 5.939 Start of MODEL 19 1 H1 MET 43 1H MET 43 -15.878 20.397 11.714 2 H2 MET 43 2H MET 43 -14.314 20.231 12.328 3 H3 MET 43 3H MET 43 -15.651 19.917 13.315 4 HA MET 43 HA MET 43 -14.865 18.387 10.917 5 HB2 MET 43 2HB MET 43 -14.718 17.657 13.876 6 HB3 MET 43 1HB MET 43 -14.430 16.523 12.561 7 HG2 MET 43 2HG MET 43 -12.324 17.269 13.492 8 HG3 MET 43 1HG MET 43 -12.485 17.875 11.842 9 HE1 MET 43 3HE MET 43 -10.602 19.722 12.130 10 HE2 MET 43 1HE MET 43 -10.286 19.092 13.750 11 HE3 MET 43 2HE MET 43 -10.524 20.822 13.503 12 H ALA 44 H ALA 44 -16.220 16.661 10.366 13 HA ALA 44 HA ALA 44 -18.950 16.684 11.545 14 HB1 ALA 44 3HB ALA 44 -18.073 15.872 8.751 15 HB2 ALA 44 1HB ALA 44 -18.870 17.387 9.183 16 HB3 ALA 44 2HB ALA 44 -19.730 15.855 9.359 17 H THR 45 H THR 45 -16.257 15.080 12.014 18 HA THR 45 HA THR 45 -16.655 12.361 11.349 19 HB THR 45 HB THR 45 -14.780 12.014 13.092 20 HG1 THR 45 HG1 THR 45 -15.552 14.357 13.931 21 HG21 THR 45 3HG2 THR 45 -13.035 13.115 11.737 22 HG22 THR 45 1HG2 THR 45 -14.269 14.073 10.916 23 HG23 THR 45 2HG2 THR 45 -14.230 12.320 10.709 24 HA PRO 46 HA PRO 46 -19.495 11.655 14.915 25 HB2 PRO 46 2HB PRO 46 -21.066 9.806 13.824 26 HB3 PRO 46 1HB PRO 46 -21.065 11.449 13.161 27 HG2 PRO 46 2HG PRO 46 -19.677 8.979 12.118 28 HG3 PRO 46 1HG PRO 46 -20.587 10.215 11.218 29 HD2 PRO 46 2HD PRO 46 -17.789 10.162 11.536 30 HD3 PRO 46 1HD PRO 46 -18.735 11.582 11.045 31 H GLN 47 H GLN 47 -16.766 10.306 14.506 32 HA GLN 47 HA GLN 47 -15.489 8.634 15.286 33 HB2 GLN 47 2HB GLN 47 -17.772 8.441 17.284 34 HB3 GLN 47 1HB GLN 47 -16.375 7.375 17.381 35 HG2 GLN 47 2HG GLN 47 -16.014 9.177 18.905 36 HG3 GLN 47 1HG GLN 47 -14.895 9.384 17.564 37 HE21 GLN 47 1HE2 GLN 47 -18.337 10.290 17.654 38 HE22 GLN 47 2HE2 GLN 47 -18.068 11.987 17.522 39 H ASP 48 H ASP 48 -17.147 8.098 13.044 40 HA ASP 48 HA ASP 48 -18.118 5.386 13.127 41 HB2 ASP 48 2HB ASP 48 -18.528 5.629 10.754 42 HB3 ASP 48 1HB ASP 48 -18.962 7.154 11.511 43 H LYS 49 H LYS 49 -15.131 6.979 12.426 44 HA LYS 49 HA LYS 49 -13.004 6.376 12.168 45 HB2 LYS 49 2HB LYS 49 -13.934 3.662 13.178 46 HB3 LYS 49 1HB LYS 49 -12.243 4.086 12.923 47 HG2 LYS 49 2HG LYS 49 -12.665 6.046 14.549 48 HG3 LYS 49 1HG LYS 49 -14.165 5.217 14.977 49 HD2 LYS 49 2HD LYS 49 -11.342 4.099 15.235 50 HD3 LYS 49 1HD LYS 49 -12.355 4.674 16.561 51 HE2 LYS 49 2HE LYS 49 -13.964 2.854 16.116 52 HE3 LYS 49 1HE LYS 49 -12.966 2.288 14.775 53 HZ1 LYS 49 3HZ LYS 49 -12.550 0.992 16.733 54 HZ2 LYS 49 1HZ LYS 49 -12.177 2.375 17.629 55 HZ3 LYS 49 2HZ LYS 49 -11.172 1.900 16.362 56 H LEU 50 H LEU 50 -15.152 5.680 10.007 57 HA LEU 50 HA LEU 50 -13.295 4.264 8.184 58 HB2 LEU 50 2HB LEU 50 -16.316 4.604 7.995 59 HB3 LEU 50 1HB LEU 50 -15.321 3.855 6.755 60 HG LEU 50 HG LEU 50 -15.780 2.791 9.572 61 HD11 LEU 50 1HD1 LEU 50 -16.724 1.690 6.904 62 HD12 LEU 50 2HD1 LEU 50 -17.726 2.487 8.120 63 HD13 LEU 50 3HD1 LEU 50 -16.964 0.945 8.489 64 HD21 LEU 50 3HD2 LEU 50 -14.487 0.807 8.866 65 HD22 LEU 50 1HD2 LEU 50 -13.502 2.269 8.878 66 HD23 LEU 50 2HD2 LEU 50 -14.081 1.610 7.347 67 H HIS 51 H HIS 51 -14.058 7.331 9.061 68 HA HIS 51 HA HIS 51 -14.144 8.644 6.513 69 HB2 HIS 51 2HB HIS 51 -14.755 9.751 8.700 70 HB3 HIS 51 1HB HIS 51 -13.061 9.722 9.160 71 HD1 HIS 51 HD1 HIS 51 -11.620 11.648 8.327 72 HD2 HIS 51 HD2 HIS 51 -15.339 11.510 6.478 73 HE1 HIS 51 HE1 HIS 51 -11.794 13.773 7.001 74 HE2 HIS 51 HE2 HIS 51 -13.995 13.597 5.785 75 H THR 52 H THR 52 -11.525 8.078 8.880 76 HA THR 52 HA THR 52 -9.543 7.765 6.702 77 HB THR 52 HB THR 52 -9.051 8.013 9.718 78 HG1 THR 52 HG1 THR 52 -8.119 10.126 8.847 79 HG21 THR 52 3HG2 THR 52 -7.226 6.806 8.549 80 HG22 THR 52 1HG2 THR 52 -6.690 8.394 9.110 81 HG23 THR 52 2HG2 THR 52 -7.074 8.140 7.409 82 H VAL 53 H VAL 53 -9.135 5.680 6.141 83 HA VAL 53 HA VAL 53 -10.346 3.502 7.723 84 HB VAL 53 HB VAL 53 -9.704 3.649 4.732 85 HG11 VAL 53 1HG1 VAL 53 -10.921 1.514 4.498 86 HG12 VAL 53 2HG1 VAL 53 -11.126 1.427 6.248 87 HG13 VAL 53 3HG1 VAL 53 -9.511 1.337 5.543 88 HG21 VAL 53 3HG2 VAL 53 -12.412 3.734 6.111 89 HG22 VAL 53 1HG2 VAL 53 -12.145 3.703 4.366 90 HG23 VAL 53 2HG2 VAL 53 -11.607 5.089 5.316 91 H ARG 54 H ARG 54 -9.102 1.703 8.199 92 HA ARG 54 HA ARG 54 -6.271 1.657 7.321 93 HB2 ARG 54 2HB ARG 54 -6.617 1.963 9.788 94 HB3 ARG 54 1HB ARG 54 -7.476 0.428 9.841 95 HG2 ARG 54 2HG ARG 54 -5.474 -0.800 9.295 96 HG3 ARG 54 1HG ARG 54 -4.590 0.687 8.936 97 HD2 ARG 54 2HD ARG 54 -3.950 -0.227 11.127 98 HD3 ARG 54 1HD ARG 54 -4.713 1.355 11.301 99 HE ARG 54 HE ARG 54 -5.845 -1.257 12.055 100 HH11 ARG 54 1HH1 ARG 54 -6.266 2.238 12.004 101 HH12 ARG 54 2HH1 ARG 54 -7.472 2.222 13.248 102 HH21 ARG 54 1HH2 ARG 54 -7.453 -1.253 13.654 103 HH22 ARG 54 2HH2 ARG 54 -8.135 0.248 14.186 104 H LEU 55 H LEU 55 -5.727 -0.005 6.050 105 HA LEU 55 HA LEU 55 -7.664 -2.217 5.667 106 HB2 LEU 55 2HB LEU 55 -6.014 -0.742 3.584 107 HB3 LEU 55 1HB LEU 55 -6.819 -2.272 3.259 108 HG LEU 55 HG LEU 55 -8.280 0.219 4.151 109 HD11 LEU 55 1HD1 LEU 55 -7.265 0.683 1.978 110 HD12 LEU 55 2HD1 LEU 55 -9.007 0.495 1.801 111 HD13 LEU 55 3HD1 LEU 55 -7.926 -0.817 1.322 112 HD21 LEU 55 3HD2 LEU 55 -9.317 -2.382 2.987 113 HD22 LEU 55 1HD2 LEU 55 -10.298 -0.959 3.363 114 HD23 LEU 55 2HD2 LEU 55 -9.487 -1.832 4.657 115 H PHE 56 H PHE 56 -6.871 -4.168 5.207 116 HA PHE 56 HA PHE 56 -4.015 -4.751 5.753 117 HB2 PHE 56 2HB PHE 56 -6.402 -6.307 6.869 118 HB3 PHE 56 1HB PHE 56 -4.704 -6.656 7.158 119 HD1 PHE 56 HD2 PHE 56 -7.413 -4.177 7.863 120 HD2 PHE 56 HD1 PHE 56 -3.545 -5.607 8.976 121 HE1 PHE 56 HE2 PHE 56 -7.500 -2.818 9.905 122 HE2 PHE 56 HE1 PHE 56 -3.644 -4.247 11.019 123 HZ PHE 56 HZ PHE 56 -5.614 -2.853 11.487 124 H GLY 57 H GLY 57 -3.384 -5.503 3.755 125 HA2 GLY 57 2HA GLY 57 -4.663 -7.964 2.771 126 HA3 GLY 57 1HA GLY 57 -4.630 -6.587 1.670 127 H THR 58 H THR 58 -3.396 -7.959 0.276 128 HA THR 58 HA THR 58 -0.525 -8.222 0.964 129 HB THR 58 HB THR 58 -2.163 -9.881 -1.019 130 HG1 THR 58 HG1 THR 58 -1.591 -11.546 0.661 131 HG21 THR 58 3HG2 THR 58 -0.177 -11.362 -1.126 132 HG22 THR 58 1HG2 THR 58 0.714 -10.253 -0.080 133 HG23 THR 58 2HG2 THR 58 0.219 -9.738 -1.695 134 H VAL 59 H VAL 59 0.948 -7.460 -0.530 135 HA VAL 59 HA VAL 59 0.136 -5.553 -2.548 136 HB VAL 59 HB VAL 59 2.938 -6.611 -1.914 137 HG11 VAL 59 1HG1 VAL 59 2.833 -5.496 -4.095 138 HG12 VAL 59 2HG1 VAL 59 3.738 -4.504 -2.951 139 HG13 VAL 59 3HG1 VAL 59 2.075 -4.077 -3.364 140 HG21 VAL 59 3HG2 VAL 59 1.927 -5.662 0.112 141 HG22 VAL 59 1HG2 VAL 59 1.540 -4.174 -0.754 142 HG23 VAL 59 2HG2 VAL 59 3.224 -4.623 -0.479 143 H ALA 60 H ALA 60 -0.348 -6.166 -4.596 144 HA ALA 60 HA ALA 60 -0.129 -8.784 -5.587 145 HB1 ALA 60 3HB ALA 60 -1.808 -7.196 -6.415 146 HB2 ALA 60 1HB ALA 60 -0.867 -7.873 -7.747 147 HB3 ALA 60 2HB ALA 60 -0.544 -6.232 -7.177 148 H ALA 61 H ALA 61 1.410 -9.849 -6.648 149 HA ALA 61 HA ALA 61 4.063 -8.849 -6.851 150 HB1 ALA 61 3HB ALA 61 3.568 -11.188 -6.335 151 HB2 ALA 61 1HB ALA 61 4.614 -11.054 -7.750 152 HB3 ALA 61 2HB ALA 61 2.897 -11.415 -7.951 153 H ASP 62 H ASP 62 1.450 -9.188 -9.131 154 HA ASP 62 HA ASP 62 3.096 -7.969 -11.283 155 HB2 ASP 62 2HB ASP 62 0.500 -9.577 -11.485 156 HB3 ASP 62 1HB ASP 62 1.299 -8.793 -12.846 157 H GLY 63 H GLY 63 2.325 -6.370 -9.177 158 HA2 GLY 63 2HA GLY 63 0.750 -4.341 -10.418 159 HA3 GLY 63 1HA GLY 63 -0.150 -5.172 -9.154 160 H LEU 64 H LEU 64 3.234 -4.185 -9.482 161 HA LEU 64 HA LEU 64 3.001 -2.353 -7.171 162 HB2 LEU 64 2HB LEU 64 4.000 -4.659 -6.582 163 HB3 LEU 64 1HB LEU 64 5.354 -4.247 -7.615 164 HG LEU 64 HG LEU 64 4.577 -2.639 -5.137 165 HD11 LEU 64 1HD1 LEU 64 6.411 -3.764 -3.958 166 HD12 LEU 64 2HD1 LEU 64 6.691 -4.798 -5.362 167 HD13 LEU 64 3HD1 LEU 64 5.173 -4.910 -4.471 168 HD21 LEU 64 3HD2 LEU 64 7.167 -2.605 -6.742 169 HD22 LEU 64 1HD2 LEU 64 6.854 -1.701 -5.256 170 HD23 LEU 64 2HD2 LEU 64 5.944 -1.334 -6.714 171 H THR 65 H THR 65 3.286 -0.429 -8.167 172 HA THR 65 HA THR 65 5.519 -0.050 -10.088 173 HB THR 65 HB THR 65 2.975 1.627 -9.802 174 HG1 THR 65 HG1 THR 65 3.488 0.307 -12.179 175 HG21 THR 65 3HG2 THR 65 5.203 1.809 -11.872 176 HG22 THR 65 1HG2 THR 65 4.902 2.985 -10.584 177 HG23 THR 65 2HG2 THR 65 3.715 2.757 -11.870 178 H MET 66 H MET 66 7.203 1.030 -9.234 179 HA MET 66 HA MET 66 7.019 2.508 -6.723 180 HB2 MET 66 2HB MET 66 9.318 1.759 -8.570 181 HB3 MET 66 1HB MET 66 9.554 2.854 -7.208 182 HG2 MET 66 2HG MET 66 8.450 0.050 -6.921 183 HG3 MET 66 1HG MET 66 10.159 0.464 -6.761 184 HE1 MET 66 3HE MET 66 9.114 -0.127 -3.007 185 HE2 MET 66 1HE MET 66 10.253 -0.569 -4.278 186 HE3 MET 66 2HE MET 66 8.555 -1.033 -4.413 187 H LEU 67 H LEU 67 7.319 4.717 -6.466 188 HA LEU 67 HA LEU 67 6.543 6.391 -8.678 189 HB2 LEU 67 2HB LEU 67 7.365 7.178 -5.852 190 HB3 LEU 67 1HB LEU 67 6.651 8.259 -7.040 191 HG LEU 67 HG LEU 67 5.291 5.894 -5.683 192 HD11 LEU 67 1HD1 LEU 67 3.797 7.577 -4.711 193 HD12 LEU 67 2HD1 LEU 67 4.706 8.868 -5.500 194 HD13 LEU 67 3HD1 LEU 67 5.474 7.875 -4.258 195 HD21 LEU 67 3HD2 LEU 67 4.164 7.684 -7.871 196 HD22 LEU 67 1HD2 LEU 67 3.239 6.507 -6.932 197 HD23 LEU 67 2HD2 LEU 67 4.527 5.962 -8.002 198 H ASP 68 H ASP 68 7.800 7.636 -9.950 199 HA ASP 68 HA ASP 68 10.731 7.557 -9.592 200 HB2 ASP 68 2HB ASP 68 8.987 8.076 -12.032 201 HB3 ASP 68 1HB ASP 68 10.722 8.375 -12.032 202 H GLY 69 H GLY 69 11.937 9.396 -9.463 203 HA2 GLY 69 2HA GLY 69 12.481 11.566 -8.975 204 HA3 GLY 69 1HA GLY 69 11.087 12.059 -9.928 205 H ALA 70 H ALA 70 10.623 9.931 -7.224 206 HA ALA 70 HA ALA 70 9.813 11.918 -5.299 207 HB1 ALA 70 3HB ALA 70 7.925 12.074 -6.891 208 HB2 ALA 70 1HB ALA 70 7.388 11.351 -5.375 209 HB3 ALA 70 2HB ALA 70 7.668 10.332 -6.790 210 HA PRO 71 HA PRO 71 10.592 8.054 -2.930 211 HB2 PRO 71 2HB PRO 71 10.145 9.057 -0.415 212 HB3 PRO 71 1HB PRO 71 11.642 9.359 -1.306 213 HG2 PRO 71 2HG PRO 71 9.231 11.136 -0.986 214 HG3 PRO 71 1HG PRO 71 10.954 11.563 -0.891 215 HD2 PRO 71 2HD PRO 71 9.455 12.016 -3.129 216 HD3 PRO 71 1HD PRO 71 11.192 11.648 -3.211 217 H GLY 72 H GLY 72 9.083 6.493 -2.952 218 HA2 GLY 72 2HA GLY 72 7.024 5.953 -1.379 219 HA3 GLY 72 1HA GLY 72 6.241 7.046 -2.515 220 H VAL 73 H VAL 73 4.954 5.015 -2.734 221 HA VAL 73 HA VAL 73 5.645 3.591 -5.121 222 HB VAL 73 HB VAL 73 6.859 2.186 -3.493 223 HG11 VAL 73 1HG1 VAL 73 4.206 1.815 -2.037 224 HG12 VAL 73 2HG1 VAL 73 5.592 2.731 -1.444 225 HG13 VAL 73 3HG1 VAL 73 5.718 0.984 -1.654 226 HG21 VAL 73 3HG2 VAL 73 4.333 0.803 -4.489 227 HG22 VAL 73 1HG2 VAL 73 5.831 -0.004 -4.018 228 HG23 VAL 73 2HG2 VAL 73 5.808 1.061 -5.423 229 H ARG 74 H ARG 74 3.796 3.038 -6.182 230 HA ARG 74 HA ARG 74 1.233 2.947 -4.710 231 HB2 ARG 74 2HB ARG 74 1.412 4.678 -6.547 232 HB3 ARG 74 1HB ARG 74 1.644 3.368 -7.705 233 HG2 ARG 74 2HG ARG 74 -0.600 2.466 -7.109 234 HG3 ARG 74 1HG ARG 74 -0.826 3.805 -5.981 235 HD2 ARG 74 2HD ARG 74 -0.632 5.400 -7.889 236 HD3 ARG 74 1HD ARG 74 -0.486 4.018 -8.987 237 HE ARG 74 HE ARG 74 -2.868 4.277 -7.270 238 HH11 ARG 74 1HH1 ARG 74 -1.518 4.187 -10.516 239 HH12 ARG 74 2HH1 ARG 74 -3.076 4.158 -11.275 240 HH21 ARG 74 1HH2 ARG 74 -4.895 4.227 -8.303 241 HH22 ARG 74 2HH2 ARG 74 -4.978 4.190 -10.030 242 H PHE 75 H PHE 75 -0.050 1.113 -4.966 243 HA PHE 75 HA PHE 75 0.776 -1.145 -6.588 244 HB2 PHE 75 2HB PHE 75 1.149 -2.693 -4.682 245 HB3 PHE 75 1HB PHE 75 2.340 -1.403 -4.697 246 HD1 PHE 75 HD2 PHE 75 2.162 0.480 -3.000 247 HD2 PHE 75 HD1 PHE 75 -0.313 -3.005 -2.772 248 HE1 PHE 75 HE2 PHE 75 1.655 0.986 -0.649 249 HE2 PHE 75 HE1 PHE 75 -0.816 -2.484 -0.425 250 HZ PHE 75 HZ PHE 75 0.164 -0.493 0.642 251 H ARG 76 H ARG 76 -0.815 -2.911 -6.468 252 HA ARG 76 HA ARG 76 -3.482 -1.810 -5.824 253 HB2 ARG 76 2HB ARG 76 -4.380 -3.600 -7.355 254 HB3 ARG 76 1HB ARG 76 -3.360 -2.410 -8.148 255 HG2 ARG 76 2HG ARG 76 -1.455 -4.093 -7.952 256 HG3 ARG 76 1HG ARG 76 -2.674 -5.271 -7.458 257 HD2 ARG 76 2HD ARG 76 -2.639 -3.758 -10.087 258 HD3 ARG 76 1HD ARG 76 -2.122 -5.427 -9.861 259 HE ARG 76 HE ARG 76 -4.645 -5.535 -8.975 260 HH11 ARG 76 1HH1 ARG 76 -3.320 -4.148 -11.926 261 HH12 ARG 76 2HH1 ARG 76 -4.750 -4.478 -12.851 262 HH21 ARG 76 1HH2 ARG 76 -6.497 -5.956 -10.208 263 HH22 ARG 76 2HH2 ARG 76 -6.545 -5.493 -11.883 264 H LEU 77 H LEU 77 -4.096 -2.340 -3.881 265 HA LEU 77 HA LEU 77 -2.914 -4.452 -2.359 266 HB2 LEU 77 2HB LEU 77 -3.666 -2.229 -1.416 267 HB3 LEU 77 1HB LEU 77 -5.328 -2.729 -1.664 268 HG LEU 77 HG LEU 77 -4.948 -4.652 -0.078 269 HD11 LEU 77 1HD1 LEU 77 -2.265 -3.320 0.430 270 HD12 LEU 77 2HD1 LEU 77 -2.528 -4.895 -0.326 271 HD13 LEU 77 3HD1 LEU 77 -2.961 -4.649 1.361 272 HD21 LEU 77 3HD2 LEU 77 -4.430 -1.888 1.075 273 HD22 LEU 77 1HD2 LEU 77 -4.993 -3.295 1.980 274 HD23 LEU 77 2HD2 LEU 77 -6.008 -2.597 0.722 275 H GLU 78 H GLU 78 -3.488 -6.519 -2.719 276 HA GLU 78 HA GLU 78 -6.151 -7.338 -3.436 277 HB2 GLU 78 2HB GLU 78 -3.803 -9.066 -2.537 278 HB3 GLU 78 1HB GLU 78 -5.228 -9.591 -3.435 279 HG2 GLU 78 2HG GLU 78 -4.468 -8.145 -5.350 280 HG3 GLU 78 1HG GLU 78 -3.001 -7.783 -4.448 281 H ASP 79 H ASP 79 -7.313 -6.431 -1.711 282 HA ASP 79 HA ASP 79 -7.010 -6.971 1.041 283 HB2 ASP 79 2HB ASP 79 -9.664 -6.569 -0.425 284 HB3 ASP 79 1HB ASP 79 -9.316 -6.229 1.266 285 H LYS 80 H LYS 80 -6.568 -9.126 1.422 286 HA LYS 80 HA LYS 80 -6.787 -11.352 1.655 287 HB2 LYS 80 2HB LYS 80 -8.624 -10.467 3.158 288 HB3 LYS 80 1HB LYS 80 -9.769 -10.759 1.855 289 HG2 LYS 80 2HG LYS 80 -9.071 -13.208 1.948 290 HG3 LYS 80 1HG LYS 80 -8.169 -12.810 3.408 291 HD2 LYS 80 2HD LYS 80 -10.238 -13.701 4.164 292 HD3 LYS 80 1HD LYS 80 -10.376 -11.958 4.392 293 HE2 LYS 80 2HE LYS 80 -11.509 -13.477 2.020 294 HE3 LYS 80 1HE LYS 80 -12.438 -13.044 3.451 295 HZ1 LYS 80 3HZ LYS 80 -12.873 -11.460 1.759 296 HZ2 LYS 80 1HZ LYS 80 -11.229 -11.196 1.466 297 HZ3 LYS 80 2HZ LYS 80 -11.920 -10.688 2.919 298 H ASP 81 H ASP 81 -6.235 -10.995 -0.824 299 HA ASP 81 HA ASP 81 -6.112 -12.020 -2.836 300 HB2 ASP 81 2HB ASP 81 -8.008 -14.039 -1.556 301 HB3 ASP 81 1HB ASP 81 -7.237 -14.278 -3.120 302 H ASN 82 H ASN 82 -8.173 -9.892 -2.495 303 HA ASN 82 HA ASN 82 -10.366 -10.710 -4.254 304 HB2 ASN 82 2HB ASN 82 -11.344 -8.544 -3.872 305 HB3 ASN 82 1HB ASN 82 -10.673 -9.043 -2.327 306 HD21 ASN 82 1HD2 ASN 82 -11.297 -6.334 -3.223 307 HD22 ASN 82 2HD2 ASN 82 -9.823 -5.439 -3.118 308 H THR 83 H THR 83 -8.253 -11.287 -5.705 309 HA THR 83 HA THR 83 -6.751 -9.281 -6.962 310 HB THR 83 HB THR 83 -6.105 -11.723 -6.780 311 HG1 THR 83 HG1 THR 83 -4.753 -10.676 -8.078 312 HG21 THR 83 3HG2 THR 83 -8.190 -12.758 -7.631 313 HG22 THR 83 1HG2 THR 83 -6.786 -13.278 -8.558 314 HG23 THR 83 2HG2 THR 83 -7.884 -12.069 -9.227 315 H SER 84 H SER 84 -9.943 -10.352 -7.616 316 HA SER 84 HA SER 84 -10.020 -9.628 -10.433 317 HB2 SER 84 2HB SER 84 -12.217 -10.608 -8.553 318 HB3 SER 84 1HB SER 84 -12.340 -10.468 -10.313 319 HG SER 84 HG SER 84 -10.575 -11.981 -10.426 320 H LYS 85 H LYS 85 -10.232 -7.856 -7.567 321 HA LYS 85 HA LYS 85 -11.436 -5.558 -8.804 322 HB2 LYS 85 2HB LYS 85 -13.256 -5.241 -7.193 323 HB3 LYS 85 1HB LYS 85 -13.476 -6.756 -8.061 324 HG2 LYS 85 2HG LYS 85 -12.743 -8.044 -6.142 325 HG3 LYS 85 1HG LYS 85 -12.273 -6.580 -5.274 326 HD2 LYS 85 2HD LYS 85 -14.692 -5.862 -5.307 327 HD3 LYS 85 1HD LYS 85 -15.104 -7.426 -6.013 328 HE2 LYS 85 2HE LYS 85 -14.232 -8.554 -3.993 329 HE3 LYS 85 1HE LYS 85 -13.808 -6.989 -3.299 330 HZ1 LYS 85 3HZ LYS 85 -15.903 -7.781 -2.427 331 HZ2 LYS 85 1HZ LYS 85 -16.546 -7.908 -3.987 332 HZ3 LYS 85 2HZ LYS 85 -16.159 -6.390 -3.355 333 H THR 86 H THR 86 -8.889 -5.810 -8.038 334 HA THR 86 HA THR 86 -8.345 -5.038 -5.307 335 HB THR 86 HB THR 86 -5.975 -4.644 -6.196 336 HG1 THR 86 HG1 THR 86 -7.098 -4.410 -8.475 337 HG21 THR 86 3HG2 THR 86 -7.180 -7.340 -6.882 338 HG22 THR 86 1HG2 THR 86 -6.621 -6.843 -5.282 339 HG23 THR 86 2HG2 THR 86 -5.470 -7.004 -6.611 340 H VAL 87 H VAL 87 -8.040 -3.065 -4.502 341 HA VAL 87 HA VAL 87 -8.366 -0.674 -6.212 342 HB VAL 87 HB VAL 87 -8.497 -0.937 -3.162 343 HG11 VAL 87 1HG1 VAL 87 -7.748 1.311 -3.770 344 HG12 VAL 87 2HG1 VAL 87 -9.403 1.386 -3.167 345 HG13 VAL 87 3HG1 VAL 87 -9.094 1.495 -4.901 346 HG21 VAL 87 3HG2 VAL 87 -10.944 -0.603 -3.397 347 HG22 VAL 87 1HG2 VAL 87 -10.405 -2.065 -4.228 348 HG23 VAL 87 2HG2 VAL 87 -10.778 -0.609 -5.155 349 H TRP 88 H TRP 88 -6.703 0.793 -6.359 350 HA TRP 88 HA TRP 88 -4.035 -0.133 -5.742 351 HB2 TRP 88 2HB TRP 88 -5.065 2.364 -7.144 352 HB3 TRP 88 1HB TRP 88 -3.350 2.043 -6.890 353 HD1 TRP 88 HD1 TRP 88 -6.393 0.558 -8.783 354 HE1 TRP 88 HE1 TRP 88 -5.506 -0.815 -10.765 355 HE3 TRP 88 HE3 TRP 88 -1.378 0.863 -7.805 356 HZ2 TRP 88 HZ2 TRP 88 -3.027 -1.684 -11.767 357 HZ3 TRP 88 HZ3 TRP 88 0.185 -0.288 -9.317 358 HH2 TRP 88 HH2 TRP 88 -0.627 -1.534 -11.263 359 H VAL 89 H VAL 89 -2.480 1.350 -4.669 360 HA VAL 89 HA VAL 89 -3.631 3.036 -2.553 361 HB VAL 89 HB VAL 89 -1.608 0.794 -2.025 362 HG11 VAL 89 1HG1 VAL 89 -2.755 2.865 -0.104 363 HG12 VAL 89 2HG1 VAL 89 -1.085 2.776 -0.670 364 HG13 VAL 89 3HG1 VAL 89 -1.733 1.500 0.362 365 HG21 VAL 89 3HG2 VAL 89 -3.897 -0.089 -2.249 366 HG22 VAL 89 1HG2 VAL 89 -4.482 1.071 -1.052 367 HG23 VAL 89 2HG2 VAL 89 -3.353 -0.200 -0.575 368 H LEU 90 H LEU 90 -2.679 4.903 -2.790 369 HA LEU 90 HA LEU 90 -0.003 5.170 -3.967 370 HB2 LEU 90 2HB LEU 90 -1.794 6.601 -4.897 371 HB3 LEU 90 1HB LEU 90 -2.116 7.266 -3.303 372 HG LEU 90 HG LEU 90 0.185 8.261 -3.275 373 HD11 LEU 90 1HD1 LEU 90 1.331 6.712 -4.793 374 HD12 LEU 90 2HD1 LEU 90 1.517 8.380 -5.329 375 HD13 LEU 90 3HD1 LEU 90 0.376 7.316 -6.154 376 HD21 LEU 90 3HD2 LEU 90 -1.507 9.117 -5.643 377 HD22 LEU 90 1HD2 LEU 90 -0.288 10.093 -4.817 378 HD23 LEU 90 2HD2 LEU 90 -1.752 9.606 -3.962 379 H TYR 91 H TYR 91 1.349 4.611 -2.323 380 HA TYR 91 HA TYR 91 1.316 6.113 0.213 381 HB2 TYR 91 2HB TYR 91 1.780 3.684 0.417 382 HB3 TYR 91 1HB TYR 91 3.117 3.822 -0.726 383 HD1 TYR 91 HD1 TYR 91 1.958 5.189 2.567 384 HD2 TYR 91 HD2 TYR 91 5.315 4.148 0.141 385 HE1 TYR 91 HE1 TYR 91 3.472 5.730 4.429 386 HE2 TYR 91 HE2 TYR 91 6.829 4.679 2.004 387 HH TYR 91 HH TYR 91 6.876 5.997 4.037 388 H LYS 92 H LYS 92 2.429 8.005 0.256 389 HA LYS 92 HA LYS 92 4.886 8.296 -1.382 390 HB2 LYS 92 2HB LYS 92 2.980 10.439 -0.354 391 HB3 LYS 92 1HB LYS 92 4.464 10.750 -1.257 392 HG2 LYS 92 2HG LYS 92 3.523 9.556 -3.212 393 HG3 LYS 92 1HG LYS 92 2.036 9.242 -2.313 394 HD2 LYS 92 2HD LYS 92 3.115 11.997 -3.039 395 HD3 LYS 92 1HD LYS 92 1.812 11.158 -3.882 396 HE2 LYS 92 2HE LYS 92 0.428 11.226 -1.850 397 HE3 LYS 92 1HE LYS 92 1.739 12.011 -0.965 398 HZ1 LYS 92 3HZ LYS 92 0.356 13.146 -3.331 399 HZ2 LYS 92 1HZ LYS 92 1.565 13.901 -2.423 400 HZ3 LYS 92 2HZ LYS 92 0.061 13.579 -1.725 401 H GLY 93 H GLY 93 6.674 8.174 -0.228 402 HA2 GLY 93 2HA GLY 93 7.730 9.590 1.752 403 HA3 GLY 93 1HA GLY 93 6.717 8.488 2.686 404 H ALA 94 H ALA 94 8.881 7.883 3.586 405 HA ALA 94 HA ALA 94 10.735 6.377 2.032 406 HB1 ALA 94 3HB ALA 94 10.299 6.406 5.047 407 HB2 ALA 94 1HB ALA 94 11.392 7.456 4.144 408 HB3 ALA 94 2HB ALA 94 11.699 5.721 4.213 409 H VAL 95 H VAL 95 10.285 4.482 1.151 410 HA VAL 95 HA VAL 95 8.123 2.763 1.992 411 HB VAL 95 HB VAL 95 10.238 2.278 -0.167 412 HG11 VAL 95 1HG1 VAL 95 7.510 0.976 0.204 413 HG12 VAL 95 2HG1 VAL 95 9.075 0.206 0.479 414 HG13 VAL 95 3HG1 VAL 95 8.610 0.696 -1.151 415 HG21 VAL 95 3HG2 VAL 95 7.489 3.554 -0.450 416 HG22 VAL 95 1HG2 VAL 95 8.569 3.137 -1.787 417 HG23 VAL 95 2HG2 VAL 95 9.043 4.371 -0.619 418 HA PRO 96 HA PRO 96 10.710 0.354 4.842 419 HB2 PRO 96 2HB PRO 96 9.049 -1.900 4.993 420 HB3 PRO 96 1HB PRO 96 8.879 -0.443 5.976 421 HG2 PRO 96 2HG PRO 96 7.373 -1.264 3.524 422 HG3 PRO 96 1HG PRO 96 6.795 -0.409 4.965 423 HD2 PRO 96 2HD PRO 96 7.303 0.862 2.608 424 HD3 PRO 96 1HD PRO 96 7.516 1.657 4.180 425 H ASP 97 H ASP 97 12.233 -1.266 4.673 426 HA ASP 97 HA ASP 97 13.104 -2.077 2.089 427 HB2 ASP 97 2HB ASP 97 14.660 -1.583 3.930 428 HB3 ASP 97 1HB ASP 97 14.012 -2.909 4.879 429 H THR 98 H THR 98 11.175 -3.598 4.534 430 HA THR 98 HA THR 98 11.299 -6.312 3.552 431 HB THR 98 HB THR 98 9.374 -6.600 5.229 432 HG1 THR 98 HG1 THR 98 8.475 -4.712 5.658 433 HG21 THR 98 3HG2 THR 98 10.812 -6.349 7.212 434 HG22 THR 98 1HG2 THR 98 11.933 -5.343 6.285 435 HG23 THR 98 2HG2 THR 98 11.724 -7.044 5.871 436 H PHE 99 H PHE 99 9.558 -3.506 2.668 437 HA PHE 99 HA PHE 99 7.160 -4.678 1.633 438 HB2 PHE 99 2HB PHE 99 7.302 -2.259 2.106 439 HB3 PHE 99 1HB PHE 99 8.537 -2.062 0.873 440 HD1 PHE 99 HD1 PHE 99 4.938 -2.634 1.487 441 HD2 PHE 99 HD2 PHE 99 7.928 -2.004 -1.502 442 HE1 PHE 99 HE1 PHE 99 3.190 -2.191 -0.185 443 HE2 PHE 99 HE2 PHE 99 6.170 -1.569 -3.157 444 HZ PHE 99 HZ PHE 99 3.806 -1.659 -2.507 445 H LYS 100 H LYS 100 6.979 -5.907 -0.072 446 HA LYS 100 HA LYS 100 8.711 -5.815 -2.395 447 HB2 LYS 100 2HB LYS 100 9.412 -8.194 -2.173 448 HB3 LYS 100 1HB LYS 100 10.019 -7.231 -0.828 449 HG2 LYS 100 2HG LYS 100 8.222 -8.086 0.618 450 HG3 LYS 100 1HG LYS 100 7.566 -9.021 -0.728 451 HD2 LYS 100 2HD LYS 100 9.585 -10.412 -0.785 452 HD3 LYS 100 1HD LYS 100 10.327 -9.431 0.484 453 HE2 LYS 100 2HE LYS 100 8.550 -10.126 2.058 454 HE3 LYS 100 1HE LYS 100 7.801 -11.097 0.787 455 HZ1 LYS 100 3HZ LYS 100 10.488 -11.514 1.960 456 HZ2 LYS 100 1HZ LYS 100 9.836 -12.416 0.691 457 HZ3 LYS 100 2HZ LYS 100 9.121 -12.469 2.220 458 HA PRO 101 HA PRO 101 4.902 -7.359 -4.296 459 HB2 PRO 101 2HB PRO 101 5.829 -8.983 -6.316 460 HB3 PRO 101 1HB PRO 101 5.919 -7.218 -6.385 461 HG2 PRO 101 2HG PRO 101 8.053 -9.195 -5.568 462 HG3 PRO 101 1HG PRO 101 8.179 -7.813 -6.682 463 HD2 PRO 101 2HD PRO 101 9.019 -7.620 -4.134 464 HD3 PRO 101 1HD PRO 101 8.229 -6.246 -4.938 465 H GLY 102 H GLY 102 3.757 -8.650 -2.940 466 HA2 GLY 102 2HA GLY 102 2.833 -10.918 -2.832 467 HA3 GLY 102 1HA GLY 102 4.472 -11.536 -2.732 468 H VAL 103 H VAL 103 4.781 -8.937 -0.827 469 HA VAL 103 HA VAL 103 4.330 -10.426 1.635 470 HB VAL 103 HB VAL 103 6.317 -8.838 1.248 471 HG11 VAL 103 1HG1 VAL 103 6.053 -6.451 1.722 472 HG12 VAL 103 2HG1 VAL 103 4.307 -6.651 1.887 473 HG13 VAL 103 3HG1 VAL 103 5.079 -6.908 0.323 474 HG21 VAL 103 3HG2 VAL 103 6.430 -8.107 3.609 475 HG22 VAL 103 1HG2 VAL 103 5.831 -9.764 3.474 476 HG23 VAL 103 2HG2 VAL 103 4.708 -8.441 3.797 477 H GLU 104 H GLU 104 2.849 -9.886 3.279 478 HA GLU 104 HA GLU 104 0.494 -8.350 2.550 479 HB2 GLU 104 2HB GLU 104 1.232 -9.869 5.084 480 HB3 GLU 104 1HB GLU 104 -0.289 -9.007 4.865 481 HG2 GLU 104 2HG GLU 104 -0.744 -10.478 2.863 482 HG3 GLU 104 1HG GLU 104 0.682 -11.421 3.308 483 H VAL 105 H VAL 105 -0.085 -6.425 3.388 484 HA VAL 105 HA VAL 105 1.750 -4.970 5.194 485 HB VAL 105 HB VAL 105 1.338 -2.873 3.878 486 HG11 VAL 105 1HG1 VAL 105 3.429 -4.108 3.565 487 HG12 VAL 105 2HG1 VAL 105 2.921 -3.374 2.047 488 HG13 VAL 105 3HG1 VAL 105 2.686 -5.104 2.307 489 HG21 VAL 105 3HG2 VAL 105 0.090 -4.713 1.790 490 HG22 VAL 105 1HG2 VAL 105 0.470 -3.007 1.557 491 HG23 VAL 105 2HG2 VAL 105 -0.757 -3.484 2.733 492 H ILE 106 H ILE 106 0.794 -2.963 6.017 493 HA ILE 106 HA ILE 106 -2.096 -2.959 6.568 494 HB ILE 106 HB ILE 106 0.136 -2.431 8.607 495 HG12 ILE 106 2HG1 ILE 106 -1.832 -4.766 8.595 496 HG13 ILE 106 1HG1 ILE 106 -0.142 -4.877 8.117 497 HG21 ILE 106 1HG2 ILE 106 -1.794 -0.978 9.004 498 HG22 ILE 106 2HG2 ILE 106 -1.677 -2.184 10.282 499 HG23 ILE 106 3HG2 ILE 106 -2.881 -2.377 9.009 500 HD11 ILE 106 3HD1 ILE 106 0.531 -4.268 10.402 501 HD12 ILE 106 1HD1 ILE 106 -0.456 -5.724 10.347 502 HD13 ILE 106 2HD1 ILE 106 -1.172 -4.201 10.871 503 H ILE 107 H ILE 107 -2.834 -0.977 5.959 504 HA ILE 107 HA ILE 107 -1.010 1.370 5.906 505 HB ILE 107 HB ILE 107 -2.342 2.183 3.905 506 HG12 ILE 107 2HG1 ILE 107 -3.442 -0.669 3.897 507 HG13 ILE 107 1HG1 ILE 107 -4.375 0.786 4.221 508 HG21 ILE 107 1HG2 ILE 107 -0.121 1.167 3.594 509 HG22 ILE 107 2HG2 ILE 107 -1.179 0.801 2.233 510 HG23 ILE 107 3HG2 ILE 107 -0.860 -0.431 3.456 511 HD11 ILE 107 3HD1 ILE 107 -4.824 0.018 2.012 512 HD12 ILE 107 1HD1 ILE 107 -3.105 -0.005 1.615 513 HD13 ILE 107 2HD1 ILE 107 -3.924 1.530 1.910 514 H GLU 108 H GLU 108 -1.805 3.190 6.819 515 HA GLU 108 HA GLU 108 -4.695 3.396 7.514 516 HB2 GLU 108 2HB GLU 108 -3.090 3.447 9.480 517 HB3 GLU 108 1HB GLU 108 -2.301 4.844 8.769 518 HG2 GLU 108 2HG GLU 108 -3.730 5.630 10.505 519 HG3 GLU 108 1HG GLU 108 -4.463 6.098 8.970 520 H GLY 109 H GLY 109 -5.760 5.087 6.468 521 HA2 GLY 109 2HA GLY 109 -4.707 7.535 5.644 522 HA3 GLY 109 1HA GLY 109 -4.502 6.433 4.285 523 H GLY 110 H GLY 110 -6.035 7.296 2.871 524 HA2 GLY 110 2HA GLY 110 -8.839 6.868 3.489 525 HA3 GLY 110 1HA GLY 110 -8.386 8.561 3.319 526 H LEU 111 H LEU 111 -9.957 6.405 1.728 527 HA LEU 111 HA LEU 111 -8.860 6.827 -0.963 528 HB2 LEU 111 2HB LEU 111 -9.715 4.586 -0.464 529 HB3 LEU 111 1HB LEU 111 -11.254 5.239 0.061 530 HG LEU 111 HG LEU 111 -11.755 5.945 -2.277 531 HD11 LEU 111 1HD1 LEU 111 -10.390 5.168 -4.157 532 HD12 LEU 111 2HD1 LEU 111 -9.180 4.540 -3.036 533 HD13 LEU 111 3HD1 LEU 111 -9.484 6.277 -3.129 534 HD21 LEU 111 3HD2 LEU 111 -12.557 3.769 -1.481 535 HD22 LEU 111 1HD2 LEU 111 -11.065 2.998 -2.032 536 HD23 LEU 111 2HD2 LEU 111 -12.180 3.713 -3.199 537 H ALA 112 H ALA 112 -9.704 8.294 -2.358 538 HA ALA 112 HA ALA 112 -11.689 10.216 -1.404 539 HB1 ALA 112 3HB ALA 112 -9.605 11.072 -2.370 540 HB2 ALA 112 1HB ALA 112 -10.980 11.548 -3.370 541 HB3 ALA 112 2HB ALA 112 -9.931 10.226 -3.880 542 HA PRO 113 HA PRO 113 -15.104 8.411 -3.662 543 HB2 PRO 113 2HB PRO 113 -16.212 11.146 -4.149 544 HB3 PRO 113 1HB PRO 113 -16.891 9.814 -3.202 545 HG2 PRO 113 2HG PRO 113 -15.876 11.998 -1.997 546 HG3 PRO 113 1HG PRO 113 -15.689 10.379 -1.288 547 HD2 PRO 113 2HD PRO 113 -13.681 11.994 -2.870 548 HD3 PRO 113 1HD PRO 113 -13.454 11.067 -1.366 549 H GLY 114 H GLY 114 -14.974 7.609 -5.679 550 HA2 GLY 114 2HA GLY 114 -15.123 7.631 -8.011 551 HA3 GLY 114 1HA GLY 114 -14.816 9.361 -8.030 552 H GLU 115 H GLU 115 -12.554 7.899 -6.032 553 HA GLU 115 HA GLU 115 -10.517 7.683 -8.161 554 HB2 GLU 115 2HB GLU 115 -10.308 7.969 -5.133 555 HB3 GLU 115 1HB GLU 115 -8.923 7.566 -6.140 556 HG2 GLU 115 2HG GLU 115 -10.575 10.088 -6.401 557 HG3 GLU 115 1HG GLU 115 -9.036 9.958 -5.552 558 H ASP 116 H ASP 116 -9.233 5.865 -8.340 559 HA ASP 116 HA ASP 116 -10.185 3.348 -7.091 560 HB2 ASP 116 2HB ASP 116 -9.117 2.179 -8.985 561 HB3 ASP 116 1HB ASP 116 -10.242 3.394 -9.580 562 H THR 117 H THR 117 -8.296 5.467 -5.949 563 HA THR 117 HA THR 117 -6.021 3.743 -5.367 564 HB THR 117 HB THR 117 -5.190 5.107 -7.223 565 HG1 THR 117 HG1 THR 117 -3.795 6.285 -5.149 566 HG21 THR 117 3HG2 THR 117 -6.565 7.139 -6.972 567 HG22 THR 117 1HG2 THR 117 -4.845 7.530 -7.034 568 HG23 THR 117 2HG2 THR 117 -5.696 7.542 -5.489 569 H PHE 118 H PHE 118 -6.203 3.510 -3.307 570 HA PHE 118 HA PHE 118 -7.265 5.316 -1.403 571 HB2 PHE 118 2HB PHE 118 -7.384 2.821 -1.204 572 HB3 PHE 118 1HB PHE 118 -5.636 2.741 -1.040 573 HD1 PHE 118 HD1 PHE 118 -4.547 3.521 1.076 574 HD2 PHE 118 HD2 PHE 118 -8.801 3.501 0.644 575 HE1 PHE 118 HE1 PHE 118 -4.802 3.720 3.513 576 HE2 PHE 118 HE2 PHE 118 -9.041 3.695 3.077 577 HZ PHE 118 HZ PHE 118 -7.048 3.802 4.510 578 H LYS 119 H LYS 119 -6.174 7.064 -0.840 579 HA LYS 119 HA LYS 119 -3.319 7.363 -1.289 580 HB2 LYS 119 2HB LYS 119 -5.323 9.323 -0.078 581 HB3 LYS 119 1HB LYS 119 -3.684 9.709 -0.601 582 HG2 LYS 119 2HG LYS 119 -4.284 9.176 -2.928 583 HG3 LYS 119 1HG LYS 119 -5.915 8.742 -2.420 584 HD2 LYS 119 2HD LYS 119 -4.688 11.520 -2.153 585 HD3 LYS 119 1HD LYS 119 -5.756 11.015 -3.459 586 HE2 LYS 119 2HE LYS 119 -7.143 12.205 -1.966 587 HE3 LYS 119 1HE LYS 119 -7.495 10.515 -1.626 588 HZ1 LYS 119 3HZ LYS 119 -5.634 12.205 -0.043 589 HZ2 LYS 119 1HZ LYS 119 -6.133 10.635 0.330 590 HZ3 LYS 119 2HZ LYS 119 -7.244 11.902 0.372 591 H ALA 120 H ALA 120 -2.190 6.156 0.138 592 HA ALA 120 HA ALA 120 -2.895 5.695 2.851 593 HB1 ALA 120 3HB ALA 120 -0.719 4.534 2.996 594 HB2 ALA 120 1HB ALA 120 -0.256 5.193 1.423 595 HB3 ALA 120 2HB ALA 120 -1.599 4.054 1.544 596 H ARG 121 H ARG 121 -1.457 6.134 4.635 597 HA ARG 121 HA ARG 121 -0.113 8.766 4.613 598 HB2 ARG 121 2HB ARG 121 -2.349 8.905 5.697 599 HB3 ARG 121 1HB ARG 121 -1.924 7.581 6.773 600 HG2 ARG 121 2HG ARG 121 -0.219 8.975 7.856 601 HG3 ARG 121 1HG ARG 121 -0.548 10.288 6.720 602 HD2 ARG 121 2HD ARG 121 -2.874 10.419 7.599 603 HD3 ARG 121 1HD ARG 121 -2.483 9.153 8.768 604 HE ARG 121 HE ARG 121 -0.622 11.214 9.085 605 HH11 ARG 121 1HH1 ARG 121 -4.076 10.750 9.536 606 HH12 ARG 121 2HH1 ARG 121 -4.186 11.939 10.790 607 HH21 ARG 121 1HH2 ARG 121 -0.803 12.746 10.757 608 HH22 ARG 121 2HH2 ARG 121 -2.342 13.051 11.494 609 H THR 122 H THR 122 -0.430 5.513 5.956 610 HA THR 122 HA THR 122 2.460 5.453 6.571 611 HB THR 122 HB THR 122 1.933 3.898 8.515 612 HG1 THR 122 HG1 THR 122 -0.308 4.262 9.346 613 HG21 THR 122 3HG2 THR 122 0.842 6.728 8.797 614 HG22 THR 122 1HG2 THR 122 2.537 6.257 8.957 615 HG23 THR 122 2HG2 THR 122 1.347 5.679 10.123 616 H LEU 123 H LEU 123 3.267 3.186 6.678 617 HA LEU 123 HA LEU 123 1.840 1.083 5.276 618 HB2 LEU 123 2HB LEU 123 2.674 2.460 3.386 619 HB3 LEU 123 1HB LEU 123 4.297 2.419 4.047 620 HG LEU 123 HG LEU 123 4.343 -0.079 3.646 621 HD11 LEU 123 1HD1 LEU 123 1.732 0.413 2.193 622 HD12 LEU 123 2HD1 LEU 123 1.958 -0.546 3.661 623 HD13 LEU 123 3HD1 LEU 123 2.676 -1.079 2.144 624 HD21 LEU 123 3HD2 LEU 123 4.706 0.067 1.220 625 HD22 LEU 123 1HD2 LEU 123 5.398 1.456 2.053 626 HD23 LEU 123 2HD2 LEU 123 3.876 1.624 1.175 627 H MET 124 H MET 124 2.361 -0.616 6.505 628 HA MET 124 HA MET 124 5.188 -1.180 7.158 629 HB2 MET 124 2HB MET 124 4.657 -1.850 9.424 630 HB3 MET 124 1HB MET 124 3.989 -0.244 9.207 631 HG2 MET 124 2HG MET 124 1.751 -1.380 8.743 632 HG3 MET 124 1HG MET 124 2.503 -2.866 9.310 633 HE1 MET 124 3HE MET 124 1.042 0.606 10.217 634 HE2 MET 124 1HE MET 124 2.739 0.911 10.580 635 HE3 MET 124 2HE MET 124 1.560 0.837 11.890 636 H THR 125 H THR 125 5.665 -3.400 7.082 637 HA THR 125 HA THR 125 3.696 -5.106 5.725 638 HB THR 125 HB THR 125 5.631 -6.668 5.455 639 HG1 THR 125 HG1 THR 125 6.872 -6.190 7.260 640 HG21 THR 125 3HG2 THR 125 6.249 -3.813 4.603 641 HG22 THR 125 1HG2 THR 125 5.237 -4.958 3.722 642 HG23 THR 125 2HG2 THR 125 6.963 -5.270 3.907 643 H LYS 126 H LYS 126 2.871 -7.011 6.612 644 HA LYS 126 HA LYS 126 2.691 -7.271 9.444 645 HB2 LYS 126 2HB LYS 126 1.911 -9.281 7.290 646 HB3 LYS 126 1HB LYS 126 1.420 -9.343 8.978 647 HG2 LYS 126 2HG LYS 126 0.284 -7.059 8.549 648 HG3 LYS 126 1HG LYS 126 0.535 -7.395 6.831 649 HD2 LYS 126 2HD LYS 126 -0.718 -9.570 7.157 650 HD3 LYS 126 1HD LYS 126 -1.077 -9.065 8.810 651 HE2 LYS 126 2HE LYS 126 -3.012 -8.535 7.522 652 HE3 LYS 126 1HE LYS 126 -2.187 -6.996 7.776 653 HZ1 LYS 126 3HZ LYS 126 -2.979 -7.362 5.480 654 HZ2 LYS 126 1HZ LYS 126 -1.911 -8.663 5.333 655 HZ3 LYS 126 2HZ LYS 126 -1.313 -7.093 5.562 656 H CYS 127 H CYS 127 4.656 -8.724 6.932 657 HA CYS 127 HA CYS 127 6.012 -10.609 8.684 658 HB2 CYS 127 2HB CYS 127 5.692 -11.196 6.310 659 HB3 CYS 127 1HB CYS 127 6.576 -9.757 5.809 660 HG CYS 127 HG CYS 127 8.654 -11.196 7.729 661 HA PRO 128 HA PRO 128 8.718 -7.077 9.904 662 HB2 PRO 128 2HB PRO 128 9.726 -8.853 12.048 663 HB3 PRO 128 1HB PRO 128 8.811 -7.350 12.194 664 HG2 PRO 128 2HG PRO 128 7.731 -9.763 12.818 665 HG3 PRO 128 1HG PRO 128 6.759 -8.432 12.159 666 HD2 PRO 128 2HD PRO 128 7.923 -10.820 10.710 667 HD3 PRO 128 1HD PRO 128 6.282 -10.135 10.612 668 H LEU 129 H LEU 129 11.060 -6.769 9.996 669 HA LEU 129 HA LEU 129 12.507 -8.193 8.030 670 HB2 LEU 129 2HB LEU 129 12.975 -5.825 8.600 671 HB3 LEU 129 1HB LEU 129 13.544 -6.308 10.189 672 HG LEU 129 HG LEU 129 15.411 -7.606 9.066 673 HD11 LEU 129 1HD1 LEU 129 15.969 -7.137 6.722 674 HD12 LEU 129 2HD1 LEU 129 14.471 -6.223 6.534 675 HD13 LEU 129 3HD1 LEU 129 14.412 -7.956 6.866 676 HD21 LEU 129 3HD2 LEU 129 15.810 -5.377 10.017 677 HD22 LEU 129 1HD2 LEU 129 15.365 -4.625 8.482 678 HD23 LEU 129 2HD2 LEU 129 16.801 -5.648 8.587 679 H GLU 130 H GLU 130 13.516 -10.066 8.177 680 HA GLU 130 HA GLU 130 13.773 -11.611 10.525 681 HB2 GLU 130 2HB GLU 130 15.184 -13.132 8.992 682 HB3 GLU 130 1HB GLU 130 13.510 -12.845 8.532 683 HG2 GLU 130 2HG GLU 130 14.196 -11.268 6.808 684 HG3 GLU 130 1HG GLU 130 15.874 -11.367 7.329 Start of MODEL 20 1 H1 MET 43 1H MET 43 -24.771 1.060 16.705 2 H2 MET 43 2H MET 43 -23.797 -0.323 16.686 3 H3 MET 43 3H MET 43 -25.438 -0.430 16.282 4 HA MET 43 HA MET 43 -23.981 -0.527 14.354 5 HB2 MET 43 2HB MET 43 -25.833 1.878 14.602 6 HB3 MET 43 1HB MET 43 -25.144 1.363 13.069 7 HG2 MET 43 2HG MET 43 -26.942 -0.369 14.786 8 HG3 MET 43 1HG MET 43 -27.477 0.603 13.410 9 HE1 MET 43 3HE MET 43 -28.536 -1.658 12.374 10 HE2 MET 43 1HE MET 43 -27.897 -2.645 13.690 11 HE3 MET 43 2HE MET 43 -27.579 -3.095 12.015 12 H ALA 44 H ALA 44 -22.722 0.710 12.846 13 HA ALA 44 HA ALA 44 -21.484 3.231 13.722 14 HB1 ALA 44 3HB ALA 44 -19.864 1.460 14.343 15 HB2 ALA 44 1HB ALA 44 -19.243 2.436 13.011 16 HB3 ALA 44 2HB ALA 44 -19.899 0.829 12.696 17 H THR 45 H THR 45 -20.173 4.082 11.632 18 HA THR 45 HA THR 45 -22.093 4.152 9.452 19 HB THR 45 HB THR 45 -19.381 5.528 9.715 20 HG1 THR 45 HG1 THR 45 -21.044 6.148 11.236 21 HG21 THR 45 3HG2 THR 45 -21.625 6.057 7.726 22 HG22 THR 45 1HG2 THR 45 -20.054 5.350 7.335 23 HG23 THR 45 2HG2 THR 45 -20.156 7.020 7.896 24 HA PRO 46 HA PRO 46 -19.660 1.108 6.996 25 HB2 PRO 46 2HB PRO 46 -21.637 0.399 5.273 26 HB3 PRO 46 1HB PRO 46 -21.550 -0.268 6.908 27 HG2 PRO 46 2HG PRO 46 -23.296 1.941 5.854 28 HG3 PRO 46 1HG PRO 46 -23.713 0.626 6.968 29 HD2 PRO 46 2HD PRO 46 -23.101 3.210 7.780 30 HD3 PRO 46 1HD PRO 46 -22.916 1.771 8.811 31 H GLN 47 H GLN 47 -18.283 2.120 5.659 32 HA GLN 47 HA GLN 47 -17.329 3.353 4.027 33 HB2 GLN 47 2HB GLN 47 -19.102 2.439 2.523 34 HB3 GLN 47 1HB GLN 47 -20.155 3.774 2.938 35 HG2 GLN 47 2HG GLN 47 -17.503 4.123 1.498 36 HG3 GLN 47 1HG GLN 47 -19.036 3.871 0.664 37 HE21 GLN 47 1HE2 GLN 47 -16.997 6.154 2.237 38 HE22 GLN 47 2HE2 GLN 47 -18.001 7.541 2.017 39 H ASP 48 H ASP 48 -16.405 5.131 4.822 40 HA ASP 48 HA ASP 48 -17.917 7.632 5.045 41 HB2 ASP 48 2HB ASP 48 -17.867 6.710 7.345 42 HB3 ASP 48 1HB ASP 48 -16.121 6.556 7.263 43 H LYS 49 H LYS 49 -16.923 9.024 3.829 44 HA LYS 49 HA LYS 49 -14.393 8.564 2.592 45 HB2 LYS 49 2HB LYS 49 -14.884 10.711 1.412 46 HB3 LYS 49 1HB LYS 49 -16.220 9.565 1.345 47 HG2 LYS 49 2HG LYS 49 -17.387 10.799 3.140 48 HG3 LYS 49 1HG LYS 49 -16.053 11.955 3.224 49 HD2 LYS 49 2HD LYS 49 -16.523 12.710 0.941 50 HD3 LYS 49 1HD LYS 49 -17.776 11.478 0.762 51 HE2 LYS 49 2HE LYS 49 -18.756 13.696 1.223 52 HE3 LYS 49 1HE LYS 49 -19.122 12.545 2.506 53 HZ1 LYS 49 3HZ LYS 49 -17.305 13.540 3.811 54 HZ2 LYS 49 1HZ LYS 49 -18.524 14.654 3.445 55 HZ3 LYS 49 2HZ LYS 49 -17.067 14.688 2.595 56 H LEU 50 H LEU 50 -15.278 10.147 5.498 57 HA LEU 50 HA LEU 50 -12.698 11.617 5.645 58 HB2 LEU 50 2HB LEU 50 -15.371 12.159 7.006 59 HB3 LEU 50 1HB LEU 50 -13.872 12.944 7.487 60 HG LEU 50 HG LEU 50 -15.203 13.206 4.758 61 HD11 LEU 50 1HD1 LEU 50 -15.000 15.234 7.011 62 HD12 LEU 50 2HD1 LEU 50 -16.458 14.374 6.507 63 HD13 LEU 50 3HD1 LEU 50 -15.691 15.517 5.409 64 HD21 LEU 50 3HD2 LEU 50 -12.771 13.373 4.545 65 HD22 LEU 50 1HD2 LEU 50 -12.709 14.588 5.826 66 HD23 LEU 50 2HD2 LEU 50 -13.512 14.949 4.295 67 H HIS 51 H HIS 51 -13.141 8.781 6.133 68 HA HIS 51 HA HIS 51 -12.266 8.592 8.966 69 HB2 HIS 51 2HB HIS 51 -14.475 7.476 8.541 70 HB3 HIS 51 1HB HIS 51 -13.727 6.483 7.297 71 HD1 HIS 51 HD1 HIS 51 -14.072 6.855 11.001 72 HD2 HIS 51 HD2 HIS 51 -12.151 4.345 8.300 73 HE1 HIS 51 HE1 HIS 51 -13.355 4.860 12.342 74 HE2 HIS 51 HE2 HIS 51 -12.106 3.404 10.711 75 H THR 52 H THR 52 -10.112 8.210 9.015 76 HA THR 52 HA THR 52 -8.612 7.008 6.892 77 HB THR 52 HB THR 52 -7.776 7.330 9.815 78 HG1 THR 52 HG1 THR 52 -7.359 9.078 7.600 79 HG21 THR 52 3HG2 THR 52 -6.069 7.029 7.306 80 HG22 THR 52 1HG2 THR 52 -6.292 5.782 8.548 81 HG23 THR 52 2HG2 THR 52 -5.466 7.287 8.940 82 H VAL 53 H VAL 53 -8.602 4.895 6.425 83 HA VAL 53 HA VAL 53 -9.793 2.954 8.266 84 HB VAL 53 HB VAL 53 -9.106 2.617 5.306 85 HG11 VAL 53 1HG1 VAL 53 -10.911 0.937 7.089 86 HG12 VAL 53 2HG1 VAL 53 -9.319 0.462 6.491 87 HG13 VAL 53 3HG1 VAL 53 -10.659 0.683 5.362 88 HG21 VAL 53 3HG2 VAL 53 -11.802 3.383 6.501 89 HG22 VAL 53 1HG2 VAL 53 -11.490 3.026 4.801 90 HG23 VAL 53 2HG2 VAL 53 -10.750 4.441 5.555 91 H ARG 54 H ARG 54 -8.412 1.702 9.405 92 HA ARG 54 HA ARG 54 -5.683 1.163 8.541 93 HB2 ARG 54 2HB ARG 54 -6.273 1.377 10.980 94 HB3 ARG 54 1HB ARG 54 -7.290 -0.052 10.848 95 HG2 ARG 54 2HG ARG 54 -5.267 -1.406 10.272 96 HG3 ARG 54 1HG ARG 54 -4.271 0.037 10.484 97 HD2 ARG 54 2HD ARG 54 -4.978 0.175 12.853 98 HD3 ARG 54 1HD ARG 54 -5.979 -1.267 12.634 99 HE ARG 54 HE ARG 54 -3.119 -1.510 12.050 100 HH11 ARG 54 1HH1 ARG 54 -5.726 -2.209 14.308 101 HH12 ARG 54 2HH1 ARG 54 -4.771 -3.322 15.237 102 HH21 ARG 54 1HH2 ARG 54 -1.899 -2.988 13.264 103 HH22 ARG 54 2HH2 ARG 54 -2.618 -3.766 14.642 104 H LEU 55 H LEU 55 -5.453 -0.193 6.906 105 HA LEU 55 HA LEU 55 -7.548 -2.177 6.250 106 HB2 LEU 55 2HB LEU 55 -7.042 -0.008 4.792 107 HB3 LEU 55 1HB LEU 55 -5.661 -0.920 4.225 108 HG LEU 55 HG LEU 55 -8.600 -1.641 3.849 109 HD11 LEU 55 1HD1 LEU 55 -7.858 0.204 2.427 110 HD12 LEU 55 2HD1 LEU 55 -8.174 -1.238 1.464 111 HD13 LEU 55 3HD1 LEU 55 -6.510 -0.769 1.830 112 HD21 LEU 55 3HD2 LEU 55 -7.334 -3.725 4.080 113 HD22 LEU 55 1HD2 LEU 55 -6.176 -3.186 2.864 114 HD23 LEU 55 2HD2 LEU 55 -7.854 -3.507 2.410 115 H PHE 56 H PHE 56 -6.870 -4.260 6.019 116 HA PHE 56 HA PHE 56 -3.986 -4.902 6.142 117 HB2 PHE 56 2HB PHE 56 -6.375 -6.587 7.063 118 HB3 PHE 56 1HB PHE 56 -4.682 -7.035 7.205 119 HD1 PHE 56 HD2 PHE 56 -7.220 -4.578 8.430 120 HD2 PHE 56 HD1 PHE 56 -3.433 -6.418 9.156 121 HE1 PHE 56 HE2 PHE 56 -7.169 -3.586 10.671 122 HE2 PHE 56 HE1 PHE 56 -3.395 -5.415 11.405 123 HZ PHE 56 HZ PHE 56 -5.258 -4.002 12.159 124 H GLY 57 H GLY 57 -3.241 -5.970 4.344 125 HA2 GLY 57 2HA GLY 57 -4.904 -7.635 2.660 126 HA3 GLY 57 1HA GLY 57 -4.463 -6.097 1.911 127 H THR 58 H THR 58 -3.549 -8.058 0.515 128 HA THR 58 HA THR 58 -0.687 -8.416 1.264 129 HB THR 58 HB THR 58 -2.341 -10.209 -0.580 130 HG1 THR 58 HG1 THR 58 -2.243 -10.077 2.116 131 HG21 THR 58 3HG2 THR 58 -0.450 -11.795 -0.346 132 HG22 THR 58 1HG2 THR 58 0.424 -10.604 0.622 133 HG23 THR 58 2HG2 THR 58 0.083 -10.280 -1.079 134 H VAL 59 H VAL 59 0.854 -7.885 -0.313 135 HA VAL 59 HA VAL 59 0.086 -6.003 -2.357 136 HB VAL 59 HB VAL 59 2.848 -7.160 -1.743 137 HG11 VAL 59 1HG1 VAL 59 2.772 -6.199 -4.005 138 HG12 VAL 59 2HG1 VAL 59 3.750 -5.185 -2.945 139 HG13 VAL 59 3HG1 VAL 59 2.108 -4.689 -3.366 140 HG21 VAL 59 3HG2 VAL 59 3.254 -5.097 -0.457 141 HG22 VAL 59 1HG2 VAL 59 1.889 -5.989 0.210 142 HG23 VAL 59 2HG2 VAL 59 1.606 -4.554 -0.778 143 H ALA 60 H ALA 60 -0.459 -6.526 -4.373 144 HA ALA 60 HA ALA 60 0.112 -9.060 -5.617 145 HB1 ALA 60 3HB ALA 60 -1.030 -6.502 -6.828 146 HB2 ALA 60 1HB ALA 60 -1.962 -7.849 -6.170 147 HB3 ALA 60 2HB ALA 60 -0.979 -8.086 -7.614 148 H ALA 61 H ALA 61 1.715 -9.513 -7.048 149 HA ALA 61 HA ALA 61 4.089 -7.887 -7.077 150 HB1 ALA 61 3HB ALA 61 5.055 -9.703 -8.449 151 HB2 ALA 61 1HB ALA 61 3.453 -10.433 -8.615 152 HB3 ALA 61 2HB ALA 61 4.228 -10.353 -7.033 153 H ASP 62 H ASP 62 1.430 -8.566 -9.242 154 HA ASP 62 HA ASP 62 2.500 -7.103 -11.511 155 HB2 ASP 62 2HB ASP 62 -0.396 -8.016 -11.193 156 HB3 ASP 62 1HB ASP 62 0.505 -7.727 -12.679 157 H GLY 63 H GLY 63 2.144 -4.997 -11.898 158 HA2 GLY 63 2HA GLY 63 0.981 -2.938 -11.947 159 HA3 GLY 63 1HA GLY 63 -0.113 -3.517 -10.701 160 H LEU 64 H LEU 64 3.006 -4.221 -9.740 161 HA LEU 64 HA LEU 64 3.061 -2.124 -7.760 162 HB2 LEU 64 2HB LEU 64 3.818 -4.598 -7.491 163 HB3 LEU 64 1HB LEU 64 5.300 -4.111 -8.296 164 HG LEU 64 HG LEU 64 4.288 -2.836 -5.710 165 HD11 LEU 64 1HD1 LEU 64 4.697 -5.203 -5.308 166 HD12 LEU 64 2HD1 LEU 64 5.896 -4.209 -4.488 167 HD13 LEU 64 3HD1 LEU 64 6.326 -5.061 -5.976 168 HD21 LEU 64 3HD2 LEU 64 7.055 -2.720 -6.982 169 HD22 LEU 64 1HD2 LEU 64 6.597 -2.013 -5.427 170 HD23 LEU 64 2HD2 LEU 64 5.883 -1.400 -6.913 171 H THR 65 H THR 65 3.520 -0.192 -8.521 172 HA THR 65 HA THR 65 5.782 0.298 -10.364 173 HB THR 65 HB THR 65 3.206 1.947 -10.136 174 HG1 THR 65 HG1 THR 65 3.684 -0.350 -11.468 175 HG21 THR 65 3HG2 THR 65 3.984 3.039 -12.218 176 HG22 THR 65 1HG2 THR 65 5.467 2.084 -12.170 177 HG23 THR 65 2HG2 THR 65 5.148 3.277 -10.910 178 H MET 66 H MET 66 7.353 1.586 -9.501 179 HA MET 66 HA MET 66 6.973 2.897 -6.915 180 HB2 MET 66 2HB MET 66 9.436 2.776 -8.713 181 HB3 MET 66 1HB MET 66 9.398 3.415 -7.071 182 HG2 MET 66 2HG MET 66 8.931 0.540 -7.895 183 HG3 MET 66 1HG MET 66 10.366 1.187 -7.095 184 HE1 MET 66 3HE MET 66 8.968 3.197 -4.930 185 HE2 MET 66 1HE MET 66 10.324 2.134 -4.559 186 HE3 MET 66 2HE MET 66 8.880 2.111 -3.542 187 H LEU 67 H LEU 67 7.069 5.178 -6.622 188 HA LEU 67 HA LEU 67 5.973 6.706 -8.778 189 HB2 LEU 67 2HB LEU 67 6.997 7.617 -6.062 190 HB3 LEU 67 1HB LEU 67 6.115 8.639 -7.182 191 HG LEU 67 HG LEU 67 5.041 6.192 -5.724 192 HD11 LEU 67 1HD1 LEU 67 4.236 9.107 -5.495 193 HD12 LEU 67 2HD1 LEU 67 5.219 8.202 -4.340 194 HD13 LEU 67 3HD1 LEU 67 3.539 7.747 -4.607 195 HD21 LEU 67 3HD2 LEU 67 2.862 6.620 -6.788 196 HD22 LEU 67 1HD2 LEU 67 4.090 6.209 -7.981 197 HD23 LEU 67 2HD2 LEU 67 3.582 7.887 -7.785 198 H ASP 68 H ASP 68 6.964 7.961 -10.252 199 HA ASP 68 HA ASP 68 9.735 7.502 -10.780 200 HB2 ASP 68 2HB ASP 68 7.696 9.253 -12.221 201 HB3 ASP 68 1HB ASP 68 9.297 8.862 -12.846 202 H GLY 69 H GLY 69 11.174 8.552 -9.532 203 HA2 GLY 69 2HA GLY 69 12.488 10.235 -8.717 204 HA3 GLY 69 1HA GLY 69 11.648 11.345 -9.790 205 H ALA 70 H ALA 70 9.979 9.404 -7.403 206 HA ALA 70 HA ALA 70 9.685 11.651 -5.515 207 HB1 ALA 70 3HB ALA 70 7.225 11.375 -5.456 208 HB2 ALA 70 1HB ALA 70 7.322 10.181 -6.753 209 HB3 ALA 70 2HB ALA 70 7.766 11.859 -7.063 210 HA PRO 71 HA PRO 71 10.195 8.142 -2.610 211 HB2 PRO 71 2HB PRO 71 9.305 9.519 -0.347 212 HB3 PRO 71 1HB PRO 71 10.962 9.586 -0.965 213 HG2 PRO 71 2HG PRO 71 8.687 11.519 -1.403 214 HG3 PRO 71 1HG PRO 71 10.393 11.864 -1.046 215 HD2 PRO 71 2HD PRO 71 9.447 12.074 -3.547 216 HD3 PRO 71 1HD PRO 71 11.077 11.424 -3.251 217 H GLY 72 H GLY 72 8.684 6.628 -3.045 218 HA2 GLY 72 2HA GLY 72 6.584 5.987 -1.543 219 HA3 GLY 72 1HA GLY 72 5.828 7.095 -2.682 220 H VAL 73 H VAL 73 4.635 4.967 -2.912 221 HA VAL 73 HA VAL 73 5.466 3.624 -5.332 222 HB VAL 73 HB VAL 73 6.568 2.190 -3.654 223 HG11 VAL 73 1HG1 VAL 73 5.199 2.668 -1.670 224 HG12 VAL 73 2HG1 VAL 73 5.320 0.927 -1.927 225 HG13 VAL 73 3HG1 VAL 73 3.839 1.783 -2.371 226 HG21 VAL 73 3HG2 VAL 73 5.617 0.008 -4.289 227 HG22 VAL 73 1HG2 VAL 73 5.643 1.101 -5.674 228 HG23 VAL 73 2HG2 VAL 73 4.127 0.789 -4.822 229 H ARG 74 H ARG 74 3.700 3.228 -6.550 230 HA ARG 74 HA ARG 74 1.057 2.940 -5.272 231 HB2 ARG 74 2HB ARG 74 1.182 4.831 -6.887 232 HB3 ARG 74 1HB ARG 74 1.676 3.712 -8.155 233 HG2 ARG 74 2HG ARG 74 -0.487 2.540 -7.993 234 HG3 ARG 74 1HG ARG 74 -0.980 3.606 -6.675 235 HD2 ARG 74 2HD ARG 74 -0.388 4.457 -9.529 236 HD3 ARG 74 1HD ARG 74 -1.990 4.284 -8.806 237 HE ARG 74 HE ARG 74 -0.875 6.040 -7.134 238 HH11 ARG 74 1HH1 ARG 74 -0.874 6.040 -10.646 239 HH12 ARG 74 2HH1 ARG 74 -0.843 7.770 -10.751 240 HH21 ARG 74 1HH2 ARG 74 -0.778 8.308 -7.317 241 HH22 ARG 74 2HH2 ARG 74 -0.780 9.043 -8.886 242 H PHE 75 H PHE 75 0.017 1.033 -5.550 243 HA PHE 75 HA PHE 75 1.061 -1.045 -7.306 244 HB2 PHE 75 2HB PHE 75 1.567 -2.656 -5.485 245 HB3 PHE 75 1HB PHE 75 2.628 -1.260 -5.418 246 HD1 PHE 75 HD2 PHE 75 2.260 0.497 -3.611 247 HD2 PHE 75 HD1 PHE 75 0.148 -3.231 -3.591 248 HE1 PHE 75 HE2 PHE 75 1.707 0.815 -1.233 249 HE2 PHE 75 HE1 PHE 75 -0.398 -2.898 -1.213 250 HZ PHE 75 HZ PHE 75 0.381 -0.883 -0.031 251 H ARG 76 H ARG 76 -0.214 -3.148 -6.902 252 HA ARG 76 HA ARG 76 -3.034 -2.469 -6.378 253 HB2 ARG 76 2HB ARG 76 -1.766 -4.888 -7.695 254 HB3 ARG 76 1HB ARG 76 -3.483 -4.756 -7.337 255 HG2 ARG 76 2HG ARG 76 -3.470 -2.670 -8.803 256 HG3 ARG 76 1HG ARG 76 -1.850 -3.164 -9.306 257 HD2 ARG 76 2HD ARG 76 -4.446 -4.692 -9.694 258 HD3 ARG 76 1HD ARG 76 -3.432 -3.967 -10.943 259 HE ARG 76 HE ARG 76 -1.695 -5.626 -10.267 260 HH11 ARG 76 1HH1 ARG 76 -5.087 -6.385 -9.779 261 HH12 ARG 76 2HH1 ARG 76 -4.821 -8.098 -9.771 262 HH21 ARG 76 1HH2 ARG 76 -1.373 -7.874 -10.193 263 HH22 ARG 76 2HH2 ARG 76 -2.728 -8.931 -9.994 264 H LEU 77 H LEU 77 -3.957 -3.128 -4.555 265 HA LEU 77 HA LEU 77 -2.579 -4.976 -2.737 266 HB2 LEU 77 2HB LEU 77 -3.247 -2.686 -1.908 267 HB3 LEU 77 1HB LEU 77 -4.926 -3.112 -2.186 268 HG LEU 77 HG LEU 77 -4.609 -5.036 -0.528 269 HD11 LEU 77 1HD1 LEU 77 -2.710 -4.883 1.026 270 HD12 LEU 77 2HD1 LEU 77 -2.012 -3.581 0.060 271 HD13 LEU 77 3HD1 LEU 77 -2.181 -5.203 -0.625 272 HD21 LEU 77 3HD2 LEU 77 -4.250 -2.217 0.547 273 HD22 LEU 77 1HD2 LEU 77 -4.831 -3.608 1.466 274 HD23 LEU 77 2HD2 LEU 77 -5.783 -2.982 0.122 275 H GLU 78 H GLU 78 -3.257 -7.017 -2.969 276 HA GLU 78 HA GLU 78 -5.844 -7.883 -3.803 277 HB2 GLU 78 2HB GLU 78 -3.731 -9.386 -2.187 278 HB3 GLU 78 1HB GLU 78 -5.055 -10.110 -3.104 279 HG2 GLU 78 2HG GLU 78 -4.069 -9.464 -5.199 280 HG3 GLU 78 1HG GLU 78 -2.862 -8.455 -4.394 281 H ASP 79 H ASP 79 -7.441 -7.014 -2.606 282 HA ASP 79 HA ASP 79 -6.978 -6.060 0.050 283 HB2 ASP 79 2HB ASP 79 -8.189 -4.831 -1.789 284 HB3 ASP 79 1HB ASP 79 -9.501 -5.994 -1.656 285 H LYS 80 H LYS 80 -6.752 -7.931 1.317 286 HA LYS 80 HA LYS 80 -7.349 -9.532 2.773 287 HB2 LYS 80 2HB LYS 80 -8.612 -7.438 3.528 288 HB3 LYS 80 1HB LYS 80 -10.056 -8.140 2.828 289 HG2 LYS 80 2HG LYS 80 -8.484 -9.594 4.959 290 HG3 LYS 80 1HG LYS 80 -9.647 -8.350 5.387 291 HD2 LYS 80 2HD LYS 80 -10.318 -10.874 3.818 292 HD3 LYS 80 1HD LYS 80 -10.539 -10.688 5.556 293 HE2 LYS 80 2HE LYS 80 -12.674 -10.342 4.545 294 HE3 LYS 80 1HE LYS 80 -12.110 -8.755 5.048 295 HZ1 LYS 80 3HZ LYS 80 -11.554 -8.238 2.800 296 HZ2 LYS 80 1HZ LYS 80 -13.145 -8.803 2.837 297 HZ3 LYS 80 2HZ LYS 80 -11.901 -9.806 2.280 298 H ASP 81 H ASP 81 -7.153 -11.156 1.110 299 HA ASP 81 HA ASP 81 -7.677 -13.266 0.518 300 HB2 ASP 81 2HB ASP 81 -10.332 -12.684 1.867 301 HB3 ASP 81 1HB ASP 81 -9.973 -14.244 1.139 302 H ASN 82 H ASN 82 -8.515 -10.761 -1.195 303 HA ASN 82 HA ASN 82 -9.534 -12.499 -3.351 304 HB2 ASN 82 2HB ASN 82 -10.929 -10.444 -4.204 305 HB3 ASN 82 1HB ASN 82 -11.586 -11.463 -2.932 306 HD21 ASN 82 1HD2 ASN 82 -10.059 -8.364 -3.603 307 HD22 ASN 82 2HD2 ASN 82 -10.616 -7.559 -2.181 308 H THR 83 H THR 83 -8.325 -12.404 -5.103 309 HA THR 83 HA THR 83 -6.239 -10.357 -5.377 310 HB THR 83 HB THR 83 -5.510 -12.725 -5.339 311 HG1 THR 83 HG1 THR 83 -4.225 -11.257 -6.476 312 HG21 THR 83 3HG2 THR 83 -5.902 -14.215 -7.289 313 HG22 THR 83 1HG2 THR 83 -7.030 -13.037 -7.966 314 HG23 THR 83 2HG2 THR 83 -7.404 -13.848 -6.446 315 H SER 84 H SER 84 -9.113 -11.562 -7.026 316 HA SER 84 HA SER 84 -8.542 -10.371 -9.588 317 HB2 SER 84 2HB SER 84 -10.142 -12.275 -9.388 318 HB3 SER 84 1HB SER 84 -11.232 -11.276 -8.434 319 HG SER 84 HG SER 84 -10.747 -9.932 -10.656 320 H LYS 85 H LYS 85 -10.403 -9.441 -6.703 321 HA LYS 85 HA LYS 85 -10.758 -6.710 -7.691 322 HB2 LYS 85 2HB LYS 85 -11.602 -7.943 -5.028 323 HB3 LYS 85 1HB LYS 85 -12.066 -6.350 -5.634 324 HG2 LYS 85 2HG LYS 85 -13.223 -7.498 -7.561 325 HG3 LYS 85 1HG LYS 85 -12.861 -9.048 -6.791 326 HD2 LYS 85 2HD LYS 85 -14.178 -8.351 -4.804 327 HD3 LYS 85 1HD LYS 85 -14.542 -6.809 -5.594 328 HE2 LYS 85 2HE LYS 85 -15.380 -9.569 -6.564 329 HE3 LYS 85 1HE LYS 85 -16.430 -8.355 -5.831 330 HZ1 LYS 85 3HZ LYS 85 -16.027 -6.911 -7.722 331 HZ2 LYS 85 1HZ LYS 85 -16.631 -8.404 -8.239 332 HZ3 LYS 85 2HZ LYS 85 -14.988 -8.051 -8.416 333 H THR 86 H THR 86 -8.672 -5.910 -7.763 334 HA THR 86 HA THR 86 -7.252 -5.554 -5.182 335 HB THR 86 HB THR 86 -5.274 -4.865 -6.643 336 HG1 THR 86 HG1 THR 86 -7.016 -4.921 -8.562 337 HG21 THR 86 3HG2 THR 86 -5.319 -7.098 -5.620 338 HG22 THR 86 1HG2 THR 86 -4.607 -7.179 -7.230 339 HG23 THR 86 2HG2 THR 86 -6.268 -7.718 -6.971 340 H VAL 87 H VAL 87 -6.941 -3.572 -4.424 341 HA VAL 87 HA VAL 87 -8.060 -1.234 -5.863 342 HB VAL 87 HB VAL 87 -7.228 -1.440 -2.921 343 HG11 VAL 87 1HG1 VAL 87 -8.563 0.626 -2.599 344 HG12 VAL 87 2HG1 VAL 87 -8.901 0.685 -4.330 345 HG13 VAL 87 3HG1 VAL 87 -7.246 0.882 -3.748 346 HG21 VAL 87 3HG2 VAL 87 -10.027 -1.735 -4.078 347 HG22 VAL 87 1HG2 VAL 87 -9.628 -1.657 -2.359 348 HG23 VAL 87 2HG2 VAL 87 -9.065 -3.016 -3.334 349 H TRP 88 H TRP 88 -6.679 0.502 -6.404 350 HA TRP 88 HA TRP 88 -3.820 -0.029 -6.380 351 HB2 TRP 88 2HB TRP 88 -5.464 2.283 -7.515 352 HB3 TRP 88 1HB TRP 88 -3.711 2.167 -7.640 353 HD1 TRP 88 HD1 TRP 88 -6.908 0.749 -9.196 354 HE1 TRP 88 HE1 TRP 88 -6.275 -0.589 -11.300 355 HE3 TRP 88 HE3 TRP 88 -1.820 0.618 -8.595 356 HZ2 TRP 88 HZ2 TRP 88 -3.934 -1.554 -12.557 357 HZ3 TRP 88 HZ3 TRP 88 -0.458 -0.507 -10.304 358 HH2 TRP 88 HH2 TRP 88 -1.490 -1.591 -12.232 359 H VAL 89 H VAL 89 -2.480 0.846 -4.850 360 HA VAL 89 HA VAL 89 -3.643 2.674 -2.835 361 HB VAL 89 HB VAL 89 -1.456 0.567 -2.525 362 HG11 VAL 89 1HG1 VAL 89 -2.636 2.437 -0.427 363 HG12 VAL 89 2HG1 VAL 89 -0.992 2.479 -1.065 364 HG13 VAL 89 3HG1 VAL 89 -1.520 1.103 -0.097 365 HG21 VAL 89 3HG2 VAL 89 -3.706 -0.424 -2.735 366 HG22 VAL 89 1HG2 VAL 89 -4.304 0.612 -1.437 367 HG23 VAL 89 2HG2 VAL 89 -3.091 -0.624 -1.092 368 H LEU 90 H LEU 90 -2.861 4.674 -3.018 369 HA LEU 90 HA LEU 90 -0.198 5.182 -4.146 370 HB2 LEU 90 2HB LEU 90 -2.107 6.520 -4.997 371 HB3 LEU 90 1HB LEU 90 -2.426 7.104 -3.372 372 HG LEU 90 HG LEU 90 -0.279 8.314 -3.342 373 HD11 LEU 90 1HD1 LEU 90 1.132 8.490 -5.339 374 HD12 LEU 90 2HD1 LEU 90 0.132 7.297 -6.171 375 HD13 LEU 90 3HD1 LEU 90 1.066 6.832 -4.746 376 HD21 LEU 90 3HD2 LEU 90 -0.823 10.052 -4.987 377 HD22 LEU 90 1HD2 LEU 90 -2.279 9.480 -4.169 378 HD23 LEU 90 2HD2 LEU 90 -1.925 8.949 -5.818 379 H TYR 91 H TYR 91 1.144 4.566 -2.521 380 HA TYR 91 HA TYR 91 1.057 5.955 0.085 381 HB2 TYR 91 2HB TYR 91 1.612 3.560 0.219 382 HB3 TYR 91 1HB TYR 91 2.895 3.752 -0.974 383 HD1 TYR 91 HD1 TYR 91 1.900 5.322 2.305 384 HD2 TYR 91 HD2 TYR 91 5.089 3.771 -0.087 385 HE1 TYR 91 HE1 TYR 91 3.486 5.804 4.109 386 HE2 TYR 91 HE2 TYR 91 6.680 4.251 1.724 387 HH TYR 91 HH TYR 91 6.902 5.652 3.682 388 H LYS 92 H LYS 92 2.060 7.908 0.163 389 HA LYS 92 HA LYS 92 4.493 8.401 -1.458 390 HB2 LYS 92 2HB LYS 92 2.471 10.365 -0.291 391 HB3 LYS 92 1HB LYS 92 3.953 10.843 -1.120 392 HG2 LYS 92 2HG LYS 92 3.163 9.849 -3.196 393 HG3 LYS 92 1HG LYS 92 1.730 9.204 -2.398 394 HD2 LYS 92 2HD LYS 92 2.305 12.191 -2.580 395 HD3 LYS 92 1HD LYS 92 1.428 11.317 -3.830 396 HE2 LYS 92 2HE LYS 92 -0.195 12.366 -2.412 397 HE3 LYS 92 1HE LYS 92 -0.256 10.638 -2.080 398 HZ1 LYS 92 3HZ LYS 92 1.008 10.987 -0.088 399 HZ2 LYS 92 1HZ LYS 92 -0.343 12.002 -0.075 400 HZ3 LYS 92 2HZ LYS 92 1.186 12.634 -0.424 401 H GLY 93 H GLY 93 6.254 8.120 -0.295 402 HA2 GLY 93 2HA GLY 93 7.261 9.468 1.824 403 HA3 GLY 93 1HA GLY 93 6.315 8.208 2.621 404 H ALA 94 H ALA 94 8.685 7.842 3.374 405 HA ALA 94 HA ALA 94 10.530 6.549 1.646 406 HB1 ALA 94 3HB ALA 94 10.323 6.456 4.683 407 HB2 ALA 94 1HB ALA 94 11.234 7.632 3.737 408 HB3 ALA 94 2HB ALA 94 11.719 5.936 3.730 409 H VAL 95 H VAL 95 10.083 4.670 0.684 410 HA VAL 95 HA VAL 95 8.310 2.664 1.801 411 HB VAL 95 HB VAL 95 9.998 2.514 -0.743 412 HG11 VAL 95 1HG1 VAL 95 7.617 0.812 0.116 413 HG12 VAL 95 2HG1 VAL 95 9.299 0.281 0.023 414 HG13 VAL 95 3HG1 VAL 95 8.434 0.724 -1.448 415 HG21 VAL 95 3HG2 VAL 95 7.938 3.149 -1.958 416 HG22 VAL 95 1HG2 VAL 95 8.443 4.416 -0.837 417 HG23 VAL 95 2HG2 VAL 95 7.093 3.356 -0.422 418 HA PRO 96 HA PRO 96 11.957 0.822 3.878 419 HB2 PRO 96 2HB PRO 96 10.619 -0.931 5.487 420 HB3 PRO 96 1HB PRO 96 10.700 0.801 5.837 421 HG2 PRO 96 2HG PRO 96 8.477 -0.764 4.527 422 HG3 PRO 96 1HG PRO 96 8.373 0.483 5.788 423 HD2 PRO 96 2HD PRO 96 7.902 1.017 3.147 424 HD3 PRO 96 1HD PRO 96 8.580 2.226 4.263 425 H ASP 97 H ASP 97 12.979 -1.277 3.898 426 HA ASP 97 HA ASP 97 12.716 -2.643 1.395 427 HB2 ASP 97 2HB ASP 97 14.443 -3.319 3.824 428 HB3 ASP 97 1HB ASP 97 14.596 -4.085 2.243 429 H THR 98 H THR 98 11.198 -3.144 4.421 430 HA THR 98 HA THR 98 10.673 -5.946 4.273 431 HB THR 98 HB THR 98 10.419 -4.696 6.401 432 HG1 THR 98 HG1 THR 98 8.566 -6.418 5.360 433 HG21 THR 98 3HG2 THR 98 8.423 -3.299 6.827 434 HG22 THR 98 1HG2 THR 98 7.959 -3.435 5.128 435 HG23 THR 98 2HG2 THR 98 9.445 -2.589 5.574 436 H PHE 99 H PHE 99 9.298 -3.184 2.701 437 HA PHE 99 HA PHE 99 6.863 -4.405 1.757 438 HB2 PHE 99 2HB PHE 99 7.045 -1.952 1.791 439 HB3 PHE 99 1HB PHE 99 8.422 -2.003 0.696 440 HD1 PHE 99 HD1 PHE 99 4.760 -2.783 0.910 441 HD2 PHE 99 HD2 PHE 99 8.059 -1.920 -1.674 442 HE1 PHE 99 HE1 PHE 99 3.229 -2.609 -1.002 443 HE2 PHE 99 HE2 PHE 99 6.515 -1.750 -3.578 444 HZ PHE 99 HZ PHE 99 4.101 -2.095 -3.246 445 H LYS 100 H LYS 100 7.320 -6.360 0.882 446 HA LYS 100 HA LYS 100 9.015 -6.479 -1.543 447 HB2 LYS 100 2HB LYS 100 9.373 -8.895 -0.958 448 HB3 LYS 100 1HB LYS 100 10.012 -7.795 0.259 449 HG2 LYS 100 2HG LYS 100 7.974 -8.185 1.647 450 HG3 LYS 100 1HG LYS 100 7.404 -9.337 0.442 451 HD2 LYS 100 2HD LYS 100 8.369 -10.553 2.292 452 HD3 LYS 100 1HD LYS 100 9.417 -10.748 0.886 453 HE2 LYS 100 2HE LYS 100 11.006 -9.148 1.788 454 HE3 LYS 100 1HE LYS 100 9.919 -8.745 3.117 455 HZ1 LYS 100 3HZ LYS 100 11.718 -10.282 3.726 456 HZ2 LYS 100 1HZ LYS 100 11.079 -11.433 2.667 457 HZ3 LYS 100 2HZ LYS 100 10.181 -10.924 4.007 458 HA PRO 101 HA PRO 101 5.236 -7.443 -3.776 459 HB2 PRO 101 2HB PRO 101 6.873 -9.327 -5.455 460 HB3 PRO 101 1HB PRO 101 5.906 -7.927 -5.947 461 HG2 PRO 101 2HG PRO 101 8.580 -7.797 -5.927 462 HG3 PRO 101 1HG PRO 101 7.601 -6.403 -5.424 463 HD2 PRO 101 2HD PRO 101 9.055 -8.415 -3.707 464 HD3 PRO 101 1HD PRO 101 8.948 -6.647 -3.534 465 H GLY 102 H GLY 102 3.945 -8.609 -2.373 466 HA2 GLY 102 2HA GLY 102 2.788 -10.801 -2.432 467 HA3 GLY 102 1HA GLY 102 4.356 -11.560 -2.201 468 H VAL 103 H VAL 103 4.556 -8.896 -0.258 469 HA VAL 103 HA VAL 103 4.096 -10.501 2.136 470 HB VAL 103 HB VAL 103 6.033 -8.896 1.962 471 HG11 VAL 103 1HG1 VAL 103 4.906 -7.013 0.834 472 HG12 VAL 103 2HG1 VAL 103 5.737 -6.484 2.297 473 HG13 VAL 103 3HG1 VAL 103 3.983 -6.690 2.306 474 HG21 VAL 103 3HG2 VAL 103 5.932 -8.065 4.294 475 HG22 VAL 103 1HG2 VAL 103 5.329 -9.717 4.169 476 HG23 VAL 103 2HG2 VAL 103 4.193 -8.376 4.328 477 H GLU 104 H GLU 104 2.515 -10.103 3.736 478 HA GLU 104 HA GLU 104 0.147 -8.620 3.003 479 HB2 GLU 104 2HB GLU 104 0.890 -10.058 5.575 480 HB3 GLU 104 1HB GLU 104 -0.681 -9.325 5.248 481 HG2 GLU 104 2HG GLU 104 -0.876 -10.900 3.259 482 HG3 GLU 104 1HG GLU 104 0.570 -11.715 3.861 483 H VAL 105 H VAL 105 0.055 -6.526 3.229 484 HA VAL 105 HA VAL 105 1.732 -5.089 5.194 485 HB VAL 105 HB VAL 105 1.282 -3.044 3.821 486 HG11 VAL 105 1HG1 VAL 105 3.344 -4.304 3.461 487 HG12 VAL 105 2HG1 VAL 105 2.778 -3.608 1.943 488 HG13 VAL 105 3HG1 VAL 105 2.543 -5.330 2.267 489 HG21 VAL 105 3HG2 VAL 105 0.335 -3.235 1.536 490 HG22 VAL 105 1HG2 VAL 105 -0.860 -3.671 2.760 491 HG23 VAL 105 2HG2 VAL 105 -0.050 -4.932 1.829 492 H ILE 106 H ILE 106 0.858 -3.393 6.410 493 HA ILE 106 HA ILE 106 -2.079 -3.198 6.637 494 HB ILE 106 HB ILE 106 -0.075 -2.446 8.818 495 HG12 ILE 106 2HG1 ILE 106 -1.625 -5.067 8.567 496 HG13 ILE 106 1HG1 ILE 106 0.120 -4.879 8.446 497 HG21 ILE 106 1HG2 ILE 106 -2.058 -2.425 10.297 498 HG22 ILE 106 2HG2 ILE 106 -3.094 -2.857 8.934 499 HG23 ILE 106 3HG2 ILE 106 -2.254 -1.304 8.948 500 HD11 ILE 106 3HD1 ILE 106 -0.496 -5.797 10.589 501 HD12 ILE 106 1HD1 ILE 106 -1.552 -4.424 10.914 502 HD13 ILE 106 2HD1 ILE 106 0.193 -4.190 10.806 503 H ILE 107 H ILE 107 -2.583 -1.444 5.464 504 HA ILE 107 HA ILE 107 -0.826 0.955 5.501 505 HB ILE 107 HB ILE 107 -2.027 1.648 3.415 506 HG12 ILE 107 2HG1 ILE 107 -3.264 -1.148 3.468 507 HG13 ILE 107 1HG1 ILE 107 -4.140 0.336 3.809 508 HG21 ILE 107 1HG2 ILE 107 -0.893 0.071 1.890 509 HG22 ILE 107 2HG2 ILE 107 -0.680 -1.073 3.218 510 HG23 ILE 107 3HG2 ILE 107 0.137 0.491 3.262 511 HD11 ILE 107 3HD1 ILE 107 -3.735 1.090 1.517 512 HD12 ILE 107 1HD1 ILE 107 -4.593 -0.448 1.585 513 HD13 ILE 107 2HD1 ILE 107 -2.877 -0.419 1.186 514 H GLU 108 H GLU 108 -1.647 2.901 6.106 515 HA GLU 108 HA GLU 108 -4.468 3.048 7.037 516 HB2 GLU 108 2HB GLU 108 -2.043 4.563 8.111 517 HB3 GLU 108 1HB GLU 108 -3.702 4.712 8.696 518 HG2 GLU 108 2HG GLU 108 -3.658 2.436 9.529 519 HG3 GLU 108 1HG GLU 108 -2.052 2.173 8.848 520 H GLY 109 H GLY 109 -5.621 4.333 5.734 521 HA2 GLY 109 2HA GLY 109 -4.805 6.966 4.979 522 HA3 GLY 109 1HA GLY 109 -4.669 5.852 3.621 523 H GLY 110 H GLY 110 -6.324 6.870 2.433 524 HA2 GLY 110 2HA GLY 110 -8.998 6.043 3.119 525 HA3 GLY 110 1HA GLY 110 -8.766 7.790 3.221 526 H LEU 111 H LEU 111 -10.364 6.041 1.418 527 HA LEU 111 HA LEU 111 -9.315 6.602 -1.249 528 HB2 LEU 111 2HB LEU 111 -10.497 4.456 -0.744 529 HB3 LEU 111 1HB LEU 111 -11.948 5.357 -0.349 530 HG LEU 111 HG LEU 111 -12.065 6.155 -2.725 531 HD11 LEU 111 1HD1 LEU 111 -9.758 4.242 -3.197 532 HD12 LEU 111 2HD1 LEU 111 -9.706 6.004 -3.331 533 HD13 LEU 111 3HD1 LEU 111 -10.696 5.066 -4.445 534 HD21 LEU 111 3HD2 LEU 111 -13.388 4.219 -2.019 535 HD22 LEU 111 1HD2 LEU 111 -12.043 3.140 -2.398 536 HD23 LEU 111 2HD2 LEU 111 -12.855 4.032 -3.689 537 H ALA 112 H ALA 112 -9.481 8.696 -1.873 538 HA ALA 112 HA ALA 112 -11.426 10.480 -0.669 539 HB1 ALA 112 3HB ALA 112 -9.205 11.043 -2.664 540 HB2 ALA 112 1HB ALA 112 -9.082 11.183 -0.909 541 HB3 ALA 112 2HB ALA 112 -10.157 12.258 -1.803 542 HA PRO 113 HA PRO 113 -14.437 10.357 -4.087 543 HB2 PRO 113 2HB PRO 113 -15.017 13.196 -3.256 544 HB3 PRO 113 1HB PRO 113 -16.122 11.823 -3.426 545 HG2 PRO 113 2HG PRO 113 -15.404 12.670 -1.006 546 HG3 PRO 113 1HG PRO 113 -15.535 10.928 -1.339 547 HD2 PRO 113 2HD PRO 113 -13.055 12.652 -1.205 548 HD3 PRO 113 1HD PRO 113 -13.342 11.037 -0.510 549 H GLY 114 H GLY 114 -12.969 10.295 -5.788 550 HA2 GLY 114 2HA GLY 114 -12.862 11.940 -7.854 551 HA3 GLY 114 1HA GLY 114 -11.674 12.726 -6.810 552 H GLU 115 H GLU 115 -10.572 10.497 -5.590 553 HA GLU 115 HA GLU 115 -8.917 9.413 -7.761 554 HB2 GLU 115 2HB GLU 115 -8.506 9.503 -4.744 555 HB3 GLU 115 1HB GLU 115 -7.432 8.643 -5.834 556 HG2 GLU 115 2HG GLU 115 -6.363 10.686 -5.369 557 HG3 GLU 115 1HG GLU 115 -7.002 10.858 -7.004 558 H ASP 116 H ASP 116 -9.109 7.397 -8.429 559 HA ASP 116 HA ASP 116 -10.710 5.360 -7.167 560 HB2 ASP 116 2HB ASP 116 -10.485 5.436 -9.624 561 HB3 ASP 116 1HB ASP 116 -8.746 5.196 -9.497 562 H THR 117 H THR 117 -7.557 6.488 -6.739 563 HA THR 117 HA THR 117 -6.416 3.982 -5.737 564 HB THR 117 HB THR 117 -4.964 5.451 -7.079 565 HG1 THR 117 HG1 THR 117 -4.190 4.142 -5.205 566 HG21 THR 117 3HG2 THR 117 -5.818 7.676 -6.445 567 HG22 THR 117 1HG2 THR 117 -4.073 7.567 -6.202 568 HG23 THR 117 2HG2 THR 117 -5.163 7.470 -4.819 569 H PHE 118 H PHE 118 -6.335 3.439 -3.625 570 HA PHE 118 HA PHE 118 -7.516 5.022 -1.537 571 HB2 PHE 118 2HB PHE 118 -7.679 2.510 -1.610 572 HB3 PHE 118 1HB PHE 118 -5.937 2.392 -1.401 573 HD1 PHE 118 HD2 PHE 118 -9.151 3.107 0.262 574 HD2 PHE 118 HD1 PHE 118 -4.917 2.827 0.815 575 HE1 PHE 118 HE2 PHE 118 -9.465 3.052 2.702 576 HE2 PHE 118 HE1 PHE 118 -5.242 2.774 3.253 577 HZ PHE 118 HZ PHE 118 -7.515 2.887 4.198 578 H LYS 119 H LYS 119 -6.365 6.642 -0.649 579 HA LYS 119 HA LYS 119 -3.535 6.961 -1.322 580 HB2 LYS 119 2HB LYS 119 -5.358 8.974 0.059 581 HB3 LYS 119 1HB LYS 119 -3.866 9.299 -0.829 582 HG2 LYS 119 2HG LYS 119 -4.991 8.629 -2.944 583 HG3 LYS 119 1HG LYS 119 -6.469 8.283 -2.045 584 HD2 LYS 119 2HD LYS 119 -6.746 10.429 -3.077 585 HD3 LYS 119 1HD LYS 119 -6.531 10.709 -1.347 586 HE2 LYS 119 2HE LYS 119 -4.192 11.353 -1.726 587 HE3 LYS 119 1HE LYS 119 -4.344 10.980 -3.445 588 HZ1 LYS 119 3HZ LYS 119 -4.559 13.313 -3.130 589 HZ2 LYS 119 1HZ LYS 119 -5.766 13.109 -1.965 590 HZ3 LYS 119 2HZ LYS 119 -6.075 12.704 -3.576 591 H ALA 120 H ALA 120 -2.390 5.698 0.073 592 HA ALA 120 HA ALA 120 -3.038 5.479 2.895 593 HB1 ALA 120 3HB ALA 120 -2.370 3.470 1.635 594 HB2 ALA 120 1HB ALA 120 -1.260 3.784 2.971 595 HB3 ALA 120 2HB ALA 120 -0.786 4.178 1.314 596 H ARG 121 H ARG 121 -2.349 6.984 4.265 597 HA ARG 121 HA ARG 121 -0.130 8.704 4.061 598 HB2 ARG 121 2HB ARG 121 -1.827 9.272 5.657 599 HB3 ARG 121 1HB ARG 121 -1.740 7.696 6.437 600 HG2 ARG 121 2HG ARG 121 0.494 8.255 7.340 601 HG3 ARG 121 1HG ARG 121 0.439 9.821 6.543 602 HD2 ARG 121 2HD ARG 121 -1.413 10.526 7.961 603 HD3 ARG 121 1HD ARG 121 -1.531 8.910 8.668 604 HE ARG 121 HE ARG 121 0.335 9.320 9.957 605 HH11 ARG 121 1HH1 ARG 121 -0.149 12.086 7.806 606 HH12 ARG 121 2HH1 ARG 121 1.062 13.040 8.599 607 HH21 ARG 121 1HH2 ARG 121 1.904 10.604 10.956 608 HH22 ARG 121 2HH2 ARG 121 2.214 12.210 10.377 609 H THR 122 H THR 122 -0.478 5.458 5.451 610 HA THR 122 HA THR 122 2.399 5.423 6.137 611 HB THR 122 HB THR 122 0.284 4.156 7.930 612 HG1 THR 122 HG1 THR 122 -0.235 6.124 8.484 613 HG21 THR 122 3HG2 THR 122 2.633 3.378 8.225 614 HG22 THR 122 1HG2 THR 122 2.049 4.255 9.644 615 HG23 THR 122 2HG2 THR 122 3.138 5.047 8.506 616 H LEU 123 H LEU 123 3.418 3.611 5.562 617 HA LEU 123 HA LEU 123 1.904 1.219 4.681 618 HB2 LEU 123 2HB LEU 123 3.265 2.241 2.871 619 HB3 LEU 123 1HB LEU 123 4.689 2.181 3.896 620 HG LEU 123 HG LEU 123 4.411 -0.385 3.888 621 HD11 LEU 123 1HD1 LEU 123 2.567 0.185 1.549 622 HD12 LEU 123 2HD1 LEU 123 2.105 -0.530 3.097 623 HD13 LEU 123 3HD1 LEU 123 3.198 -1.394 2.020 624 HD21 LEU 123 3HD2 LEU 123 5.106 0.979 1.265 625 HD22 LEU 123 1HD2 LEU 123 5.603 -0.635 1.780 626 HD23 LEU 123 2HD2 LEU 123 6.180 0.777 2.657 627 H MET 124 H MET 124 2.060 -0.426 6.060 628 HA MET 124 HA MET 124 4.565 -0.944 7.563 629 HB2 MET 124 2HB MET 124 1.703 -1.170 8.625 630 HB3 MET 124 1HB MET 124 3.123 -1.773 9.469 631 HG2 MET 124 2HG MET 124 3.940 0.431 9.868 632 HG3 MET 124 1HG MET 124 2.795 1.142 8.730 633 HE1 MET 124 3HE MET 124 -0.602 0.815 10.617 634 HE2 MET 124 1HE MET 124 0.066 -0.306 9.433 635 HE3 MET 124 2HE MET 124 0.222 1.433 9.182 636 H THR 125 H THR 125 4.570 -3.319 8.269 637 HA THR 125 HA THR 125 3.009 -5.110 6.489 638 HB THR 125 HB THR 125 5.060 -6.632 6.478 639 HG1 THR 125 HG1 THR 125 6.980 -5.847 7.194 640 HG21 THR 125 3HG2 THR 125 4.561 -5.227 4.496 641 HG22 THR 125 1HG2 THR 125 6.300 -5.408 4.740 642 HG23 THR 125 2HG2 THR 125 5.497 -3.905 5.199 643 H LYS 126 H LYS 126 2.362 -7.063 7.404 644 HA LYS 126 HA LYS 126 2.061 -7.310 10.221 645 HB2 LYS 126 2HB LYS 126 1.730 -9.424 8.044 646 HB3 LYS 126 1HB LYS 126 1.146 -9.570 9.703 647 HG2 LYS 126 2HG LYS 126 -0.358 -7.592 9.274 648 HG3 LYS 126 1HG LYS 126 0.181 -7.613 7.588 649 HD2 LYS 126 2HD LYS 126 -0.670 -9.974 7.406 650 HD3 LYS 126 1HD LYS 126 -1.311 -9.836 9.046 651 HE2 LYS 126 2HE LYS 126 -2.789 -7.999 8.308 652 HE3 LYS 126 1HE LYS 126 -2.135 -8.125 6.671 653 HZ1 LYS 126 3HZ LYS 126 -3.031 -10.316 6.473 654 HZ2 LYS 126 1HZ LYS 126 -4.275 -9.290 6.990 655 HZ3 LYS 126 2HZ LYS 126 -3.523 -10.334 8.089 656 H CYS 127 H CYS 127 4.332 -8.603 7.867 657 HA CYS 127 HA CYS 127 6.054 -9.650 10.042 658 HB2 CYS 127 2HB CYS 127 5.304 -11.433 8.474 659 HB3 CYS 127 1HB CYS 127 5.969 -10.522 7.118 660 HG CYS 127 HG CYS 127 8.625 -10.655 8.322 661 HA PRO 128 HA PRO 128 8.477 -5.955 8.561 662 HB2 PRO 128 2HB PRO 128 9.988 -6.635 11.071 663 HB3 PRO 128 1HB PRO 128 9.374 -5.068 10.518 664 HG2 PRO 128 2HG PRO 128 8.165 -6.374 12.510 665 HG3 PRO 128 1HG PRO 128 7.208 -5.498 11.295 666 HD2 PRO 128 2HD PRO 128 7.748 -8.465 11.504 667 HD3 PRO 128 1HD PRO 128 6.226 -7.620 11.134 668 H LEU 129 H LEU 129 10.878 -5.741 8.199 669 HA LEU 129 HA LEU 129 11.813 -7.788 6.538 670 HB2 LEU 129 2HB LEU 129 12.418 -5.358 6.377 671 HB3 LEU 129 1HB LEU 129 13.429 -5.537 7.802 672 HG LEU 129 HG LEU 129 14.858 -7.183 6.520 673 HD11 LEU 129 1HD1 LEU 129 13.244 -7.950 4.859 674 HD12 LEU 129 2HD1 LEU 129 14.664 -7.280 4.062 675 HD13 LEU 129 3HD1 LEU 129 13.171 -6.340 4.138 676 HD21 LEU 129 3HD2 LEU 129 15.548 -4.841 6.736 677 HD22 LEU 129 1HD2 LEU 129 14.611 -4.410 5.303 678 HD23 LEU 129 2HD2 LEU 129 16.011 -5.477 5.160 679 H GLU 130 H GLU 130 12.238 -9.773 7.307 680 HA GLU 130 HA GLU 130 13.894 -10.089 9.753 681 HB2 GLU 130 2HB GLU 130 11.398 -10.714 9.914 682 HB3 GLU 130 1HB GLU 130 11.739 -12.042 8.817 683 HG2 GLU 130 2HG GLU 130 13.275 -11.767 11.413 684 HG3 GLU 130 1HG GLU 130 11.646 -12.437 11.415
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