NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
14524 | 1wwv | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 13.737 16.484 5.443 2 HA2 GLY 1 1HA GLY 1 14.070 17.500 2.979 3 HA3 GLY 1 2HA GLY 1 14.992 16.109 3.527 4 H SER 2 H SER 2 14.927 15.844 1.077 5 HA SER 2 HA SER 2 12.752 13.985 0.458 6 HB2 SER 2 1HB SER 2 13.618 16.281 -1.312 7 HB3 SER 2 2HB SER 2 12.607 14.944 -1.858 8 HG SER 2 HG SER 2 11.760 17.124 -0.784 9 H SER 3 H SER 3 13.565 12.119 -0.202 10 HA SER 3 HA SER 3 16.360 11.927 -0.929 11 HB2 SER 3 1HB SER 3 14.964 10.282 0.546 12 HB3 SER 3 2HB SER 3 14.450 9.611 -1.002 13 HG SER 3 HG SER 3 16.327 8.696 -1.186 14 H GLY 4 H GLY 4 17.121 10.886 -2.857 15 HA2 GLY 4 1HA GLY 4 15.330 11.380 -5.145 16 HA3 GLY 4 2HA GLY 4 17.086 11.434 -5.208 17 H SER 5 H SER 5 14.313 9.279 -4.847 18 HA SER 5 HA SER 5 14.108 7.012 -5.128 19 HB2 SER 5 1HB SER 5 15.769 7.819 -7.523 20 HB3 SER 5 2HB SER 5 14.981 6.250 -7.360 21 HG SER 5 HG SER 5 13.859 8.783 -7.757 22 H SER 6 H SER 6 16.192 7.664 -3.332 23 HA SER 6 HA SER 6 18.167 5.559 -3.926 24 HB2 SER 6 1HB SER 6 18.407 8.164 -2.451 25 HB3 SER 6 2HB SER 6 19.508 6.836 -2.086 26 HG SER 6 HG SER 6 19.203 8.294 -4.472 27 H GLY 7 H GLY 7 17.701 3.747 -2.870 28 HA2 GLY 7 1HA GLY 7 17.633 2.470 -0.881 29 HA3 GLY 7 2HA GLY 7 17.123 3.905 -0.005 30 H MET 8 H MET 8 15.934 1.308 0.159 31 HA MET 8 HA MET 8 13.311 1.792 -1.088 32 HB2 MET 8 1HB MET 8 14.148 -0.309 -1.816 33 HB3 MET 8 2HB MET 8 14.662 -0.750 -0.193 34 HG2 MET 8 1HG MET 8 12.534 -1.816 -1.184 35 HG3 MET 8 2HG MET 8 12.528 -1.268 0.491 36 HE1 MET 8 3HE MET 8 10.030 -0.909 0.945 37 HE2 MET 8 1HE MET 8 8.898 -0.337 -0.281 38 HE3 MET 8 2HE MET 8 9.805 -1.826 -0.546 39 H GLU 9 H GLU 9 12.714 3.276 0.583 40 HA GLU 9 HA GLU 9 12.699 2.584 3.327 41 HB2 GLU 9 1HB GLU 9 11.696 4.619 3.687 42 HB3 GLU 9 2HB GLU 9 12.418 4.903 2.110 43 HG2 GLU 9 1HG GLU 9 10.280 4.416 1.039 44 HG3 GLU 9 2HG GLU 9 9.555 4.128 2.619 45 HA PRO 10 HA PRO 10 9.170 0.010 3.751 46 HB2 PRO 10 2HB PRO 10 9.716 -0.171 5.975 47 HB3 PRO 10 1HB PRO 10 8.240 0.780 6.182 48 HG2 PRO 10 1HG PRO 10 9.406 2.773 6.425 49 HG3 PRO 10 2HG PRO 10 10.565 1.645 7.153 50 HD2 PRO 10 1HD PRO 10 11.222 3.290 5.105 51 HD3 PRO 10 2HD PRO 10 11.951 1.684 5.312 52 H VAL 11 H VAL 11 6.983 -0.026 3.390 53 HA VAL 11 HA VAL 11 5.764 2.325 2.370 54 HB VAL 11 HB VAL 11 4.500 -0.332 3.058 55 HG11 VAL 11 1HG1 VAL 11 2.654 0.312 1.697 56 HG12 VAL 11 2HG1 VAL 11 2.931 1.615 2.853 57 HG13 VAL 11 3HG1 VAL 11 3.470 1.788 1.183 58 HG21 VAL 11 3HG2 VAL 11 4.637 -0.504 0.469 59 HG22 VAL 11 1HG2 VAL 11 5.907 0.708 0.634 60 HG23 VAL 11 2HG2 VAL 11 6.069 -0.853 1.437 61 H GLU 12 H GLU 12 5.718 0.732 5.468 62 HA GLU 12 HA GLU 12 3.381 1.852 6.538 63 HB2 GLU 12 1HB GLU 12 4.060 0.993 8.562 64 HB3 GLU 12 2HB GLU 12 5.021 0.016 7.461 65 HG2 GLU 12 1HG GLU 12 6.905 1.609 7.804 66 HG3 GLU 12 2HG GLU 12 5.934 2.405 9.042 67 H THR 13 H THR 13 6.261 3.337 5.615 68 HA THR 13 HA THR 13 5.776 5.640 7.384 69 HB THR 13 HB THR 13 8.083 6.371 6.706 70 HG1 THR 13 1HG THR 13 9.353 4.987 5.560 71 HG21 THR 13 3HG2 THR 13 8.368 3.655 7.894 72 HG22 THR 13 1HG2 THR 13 7.372 4.837 8.743 73 HG23 THR 13 2HG2 THR 13 9.067 5.190 8.407 74 H TRP 14 H TRP 14 5.796 4.555 4.107 75 HA TRP 14 HA TRP 14 6.198 6.776 2.592 76 HB2 TRP 14 1HB TRP 14 4.101 4.626 2.287 77 HB3 TRP 14 2HB TRP 14 4.387 5.859 1.061 78 HD1 TRP 14 HD TRP 14 7.544 4.737 2.709 79 HE1 TRP 14 1HE TRP 14 8.846 3.169 1.137 80 HE3 TRP 14 3HE TRP 14 3.921 3.916 -0.803 81 HZ2 TRP 14 2HZ TRP 14 8.397 1.769 -1.273 82 HZ3 TRP 14 3HZ TRP 14 4.438 2.450 -2.710 83 HH2 TRP 14 HH TRP 14 6.630 1.400 -2.939 84 H THR 15 H THR 15 4.793 8.383 1.669 85 HA THR 15 HA THR 15 2.947 9.455 3.647 86 HB THR 15 HB THR 15 2.863 11.366 1.842 87 HG1 THR 15 1HG THR 15 5.444 10.418 1.242 88 HG21 THR 15 3HG2 THR 15 4.941 12.334 2.821 89 HG22 THR 15 1HG2 THR 15 5.266 10.771 3.571 90 HG23 THR 15 2HG2 THR 15 3.828 11.685 4.026 91 HA PRO 16 HA PRO 16 -0.794 8.426 1.595 92 HB2 PRO 16 2HB PRO 16 -1.902 9.496 3.299 93 HB3 PRO 16 1HB PRO 16 -2.298 10.646 2.016 94 HG2 PRO 16 1HG PRO 16 -0.626 12.126 2.653 95 HG3 PRO 16 2HG PRO 16 -1.061 11.452 4.234 96 HD2 PRO 16 1HD PRO 16 1.471 11.400 3.275 97 HD3 PRO 16 2HD PRO 16 0.822 10.126 4.327 98 H GLY 17 H GLY 17 1.311 10.620 0.330 99 HA2 GLY 17 1HA GLY 17 -0.472 11.392 -1.882 100 HA3 GLY 17 2HA GLY 17 1.052 12.172 -1.486 101 H LYS 18 H LYS 18 2.115 9.294 -1.100 102 HA LYS 18 HA LYS 18 2.973 9.006 -3.869 103 HB2 LYS 18 1HB LYS 18 3.905 7.445 -1.457 104 HB3 LYS 18 2HB LYS 18 4.701 7.563 -3.021 105 HG2 LYS 18 1HG LYS 18 5.305 9.822 -2.644 106 HG3 LYS 18 2HG LYS 18 4.260 9.933 -1.225 107 HD2 LYS 18 1HD LYS 18 6.622 9.712 -0.601 108 HD3 LYS 18 2HD LYS 18 5.668 8.336 -0.043 109 HE2 LYS 18 1HE LYS 18 6.435 7.041 -1.985 110 HE3 LYS 18 2HE LYS 18 7.412 8.413 -2.504 111 HZ1 LYS 18 3HZ LYS 18 8.686 8.242 -0.465 112 HZ2 LYS 18 1HZ LYS 18 8.728 6.775 -1.307 113 HZ3 LYS 18 2HZ LYS 18 7.738 6.941 0.054 114 H VAL 19 H VAL 19 1.289 7.178 -1.362 115 HA VAL 19 HA VAL 19 1.083 4.684 -2.413 116 HB VAL 19 HB VAL 19 -1.161 6.268 -1.156 117 HG11 VAL 19 1HG1 VAL 19 -0.881 3.323 -1.714 118 HG12 VAL 19 2HG1 VAL 19 -2.033 3.985 -0.553 119 HG13 VAL 19 3HG1 VAL 19 -2.154 4.415 -2.259 120 HG21 VAL 19 3HG2 VAL 19 1.249 5.033 -0.117 121 HG22 VAL 19 1HG2 VAL 19 0.117 6.134 0.667 122 HG23 VAL 19 2HG2 VAL 19 -0.206 4.400 0.653 123 H ALA 20 H ALA 20 -0.956 7.459 -3.302 124 HA ALA 20 HA ALA 20 -2.708 6.322 -5.055 125 HB1 ALA 20 3HB ALA 20 -3.080 8.566 -4.757 126 HB2 ALA 20 1HB ALA 20 -1.382 8.989 -4.980 127 HB3 ALA 20 2HB ALA 20 -2.376 8.564 -6.374 128 H THR 21 H THR 21 0.688 7.035 -5.606 129 HA THR 21 HA THR 21 0.621 6.454 -8.410 130 HB THR 21 HB THR 21 2.988 6.592 -6.532 131 HG1 THR 21 1HG THR 21 2.297 8.581 -8.404 132 HG21 THR 21 3HG2 THR 21 4.394 6.608 -8.394 133 HG22 THR 21 1HG2 THR 21 3.075 6.967 -9.507 134 HG23 THR 21 2HG2 THR 21 3.212 5.361 -8.792 135 H TRP 22 H TRP 22 1.275 4.638 -5.484 136 HA TRP 22 HA TRP 22 2.269 2.328 -6.890 137 HB2 TRP 22 1HB TRP 22 3.026 2.880 -4.601 138 HB3 TRP 22 2HB TRP 22 1.390 2.608 -4.008 139 HD1 TRP 22 HD TRP 22 4.443 0.712 -5.340 140 HE1 TRP 22 1HE TRP 22 4.204 -1.771 -4.707 141 HE3 TRP 22 3HE TRP 22 -0.310 0.808 -3.458 142 HZ2 TRP 22 2HZ TRP 22 2.258 -3.466 -3.563 143 HZ3 TRP 22 3HZ TRP 22 -1.287 -1.287 -2.615 144 HH2 TRP 22 HH TRP 22 -0.028 -3.379 -2.668 145 H LEU 23 H LEU 23 -0.800 3.562 -5.999 146 HA LEU 23 HA LEU 23 -2.133 0.989 -6.085 147 HB2 LEU 23 1HB LEU 23 -3.035 3.816 -5.671 148 HB3 LEU 23 2HB LEU 23 -4.200 2.529 -5.977 149 HG LEU 23 HG LEU 23 -2.244 2.526 -3.682 150 HD11 LEU 23 1HD1 LEU 23 -3.898 3.371 -2.280 151 HD12 LEU 23 2HD1 LEU 23 -5.179 3.086 -3.457 152 HD13 LEU 23 3HD1 LEU 23 -4.015 4.385 -3.718 153 HD21 LEU 23 3HD2 LEU 23 -2.898 0.428 -3.390 154 HD22 LEU 23 1HD2 LEU 23 -3.930 0.535 -4.815 155 HD23 LEU 23 2HD2 LEU 23 -4.568 0.974 -3.230 156 H ARG 24 H ARG 24 -1.849 3.887 -8.089 157 HA ARG 24 HA ARG 24 -3.683 3.074 -10.084 158 HB2 ARG 24 1HB ARG 24 -2.911 4.910 -11.347 159 HB3 ARG 24 2HB ARG 24 -2.766 5.414 -9.669 160 HG2 ARG 24 1HG ARG 24 -0.748 6.108 -10.438 161 HG3 ARG 24 2HG ARG 24 -0.318 4.460 -9.974 162 HD2 ARG 24 1HD ARG 24 0.550 4.492 -12.082 163 HD3 ARG 24 2HD ARG 24 -1.086 3.950 -12.453 164 HE ARG 24 HE ARG 24 -1.054 6.740 -12.549 165 HH11 ARG 24 2HH1 ARG 24 0.291 4.024 -14.262 166 HH12 ARG 24 1HH1 ARG 24 0.373 4.855 -15.780 167 HH21 ARG 24 1HH2 ARG 24 -0.332 7.029 -15.938 168 HH22 ARG 24 2HH2 ARG 24 -0.950 7.845 -14.542 169 H GLY 25 H GLY 25 -0.321 2.371 -9.497 170 HA2 GLY 25 1HA GLY 25 0.221 1.363 -12.132 171 HA3 GLY 25 2HA GLY 25 1.242 1.178 -10.713 172 H LEU 26 H LEU 26 -0.697 -0.072 -9.040 173 HA LEU 26 HA LEU 26 -0.245 -2.707 -9.352 174 HB2 LEU 26 1HB LEU 26 -2.506 -1.187 -8.181 175 HB3 LEU 26 2HB LEU 26 -2.719 -2.924 -8.389 176 HG LEU 26 HG LEU 26 -0.369 -1.772 -6.909 177 HD11 LEU 26 1HD1 LEU 26 -2.977 -2.654 -5.688 178 HD12 LEU 26 2HD1 LEU 26 -2.501 -0.971 -5.908 179 HD13 LEU 26 3HD1 LEU 26 -1.560 -2.021 -4.850 180 HD21 LEU 26 3HD2 LEU 26 -1.586 -4.378 -6.247 181 HD22 LEU 26 1HD2 LEU 26 0.110 -3.901 -6.327 182 HD23 LEU 26 2HD2 LEU 26 -0.772 -4.271 -7.808 183 H ASP 27 H ASP 27 -3.071 -1.024 -10.719 184 HA ASP 27 HA ASP 27 -3.036 -2.502 -13.122 185 HB2 ASP 27 1HB ASP 27 -4.719 -3.552 -10.901 186 HB3 ASP 27 2HB ASP 27 -5.416 -3.550 -12.519 187 H ASP 28 H ASP 28 -4.939 -2.034 -14.492 188 HA ASP 28 HA ASP 28 -5.684 0.709 -14.238 189 HB2 ASP 28 1HB ASP 28 -6.791 0.436 -16.347 190 HB3 ASP 28 2HB ASP 28 -5.291 -0.485 -16.415 191 H SER 29 H SER 29 -7.344 -2.368 -13.776 192 HA SER 29 HA SER 29 -9.960 -1.526 -13.545 193 HB2 SER 29 1HB SER 29 -8.469 -3.708 -12.083 194 HB3 SER 29 2HB SER 29 -10.208 -3.470 -11.917 195 HG SER 29 HG SER 29 -9.940 -3.491 -14.432 196 H LEU 30 H LEU 30 -7.312 -0.837 -11.487 197 HA LEU 30 HA LEU 30 -9.105 0.094 -9.352 198 HB2 LEU 30 1HB LEU 30 -6.110 -0.139 -9.212 199 HB3 LEU 30 2HB LEU 30 -7.247 0.045 -7.878 200 HG LEU 30 HG LEU 30 -7.197 -2.404 -9.624 201 HD11 LEU 30 1HD1 LEU 30 -5.115 -1.586 -7.965 202 HD12 LEU 30 2HD1 LEU 30 -5.393 -3.204 -8.609 203 HD13 LEU 30 3HD1 LEU 30 -6.019 -2.769 -7.019 204 HD21 LEU 30 3HD2 LEU 30 -8.094 -2.167 -6.772 205 HD22 LEU 30 1HD2 LEU 30 -8.506 -3.396 -7.968 206 HD23 LEU 30 2HD2 LEU 30 -9.172 -1.769 -8.111 207 H GLN 31 H GLN 31 -6.954 1.134 -11.831 208 HA GLN 31 HA GLN 31 -6.129 3.619 -10.913 209 HB2 GLN 31 1HB GLN 31 -6.613 2.437 -13.603 210 HB3 GLN 31 2HB GLN 31 -6.402 4.180 -13.502 211 HG2 GLN 31 1HG GLN 31 -4.255 3.789 -12.315 212 HG3 GLN 31 2HG GLN 31 -4.460 2.064 -12.611 213 HE21 GLN 31 2HE2 GLN 31 -2.525 2.562 -15.458 214 HE22 GLN 31 1HE2 GLN 31 -2.640 1.883 -13.874 215 H ASP 32 H ASP 32 -9.273 2.544 -11.600 216 HA ASP 32 HA ASP 32 -10.417 5.054 -12.353 217 HB2 ASP 32 1HB ASP 32 -11.552 3.041 -13.016 218 HB3 ASP 32 2HB ASP 32 -11.648 2.485 -11.347 219 H TYR 33 H TYR 33 -10.275 3.196 -9.332 220 HA TYR 33 HA TYR 33 -11.831 4.780 -7.706 221 HB2 TYR 33 1HB TYR 33 -9.375 3.138 -7.149 222 HB3 TYR 33 2HB TYR 33 -10.172 4.035 -5.862 223 HD1 TYR 33 2HD TYR 33 -12.674 3.570 -5.483 224 HD2 TYR 33 1HD TYR 33 -10.138 1.015 -7.751 225 HE1 TYR 33 2HE TYR 33 -14.271 1.725 -5.180 226 HE2 TYR 33 1HE TYR 33 -11.729 -0.837 -7.455 227 HH TYR 33 HH TYR 33 -14.838 -0.455 -6.508 228 HA PRO 34 HA PRO 34 -9.749 8.664 -7.512 229 HB2 PRO 34 2HB PRO 34 -11.770 9.532 -6.848 230 HB3 PRO 34 1HB PRO 34 -10.957 9.633 -5.282 231 HG2 PRO 34 1HG PRO 34 -11.942 7.681 -4.501 232 HG3 PRO 34 2HG PRO 34 -13.240 8.286 -5.546 233 HD2 PRO 34 1HD PRO 34 -12.171 5.815 -5.833 234 HD3 PRO 34 2HD PRO 34 -12.787 6.755 -7.208 235 H PHE 35 H PHE 35 -7.705 7.502 -6.999 236 HA PHE 35 HA PHE 35 -6.946 6.978 -4.320 237 HB2 PHE 35 1HB PHE 35 -5.255 7.466 -6.780 238 HB3 PHE 35 2HB PHE 35 -4.635 6.874 -5.242 239 HD1 PHE 35 2HD PHE 35 -6.588 4.918 -4.413 240 HD2 PHE 35 1HD PHE 35 -5.086 5.754 -8.307 241 HE1 PHE 35 2HE PHE 35 -7.091 2.609 -5.099 242 HE2 PHE 35 1HE PHE 35 -5.587 3.447 -9.000 243 HZ PHE 35 HZ PHE 35 -6.590 1.871 -7.395 244 H GLU 36 H GLU 36 -6.232 9.685 -6.516 245 HA GLU 36 HA GLU 36 -4.615 11.199 -4.877 246 HB2 GLU 36 1HB GLU 36 -6.668 12.047 -6.916 247 HB3 GLU 36 2HB GLU 36 -5.600 13.191 -6.116 248 HG2 GLU 36 1HG GLU 36 -3.747 11.519 -6.969 249 HG3 GLU 36 2HG GLU 36 -4.988 11.130 -8.158 250 H ASP 37 H ASP 37 -7.978 10.544 -4.564 251 HA ASP 37 HA ASP 37 -8.377 12.729 -2.665 252 HB2 ASP 37 1HB ASP 37 -10.098 12.143 -4.429 253 HB3 ASP 37 2HB ASP 37 -10.397 10.659 -3.530 254 H TRP 38 H TRP 38 -8.167 9.228 -2.802 255 HA TRP 38 HA TRP 38 -9.120 8.437 -0.374 256 HB2 TRP 38 1HB TRP 38 -6.841 7.491 -2.059 257 HB3 TRP 38 2HB TRP 38 -7.040 6.805 -0.449 258 HD1 TRP 38 HD TRP 38 -10.120 7.690 -2.525 259 HE1 TRP 38 1HE TRP 38 -11.334 5.514 -3.171 260 HE3 TRP 38 3HE TRP 38 -6.650 4.309 -0.893 261 HZ2 TRP 38 2HZ TRP 38 -10.881 2.733 -3.010 262 HZ3 TRP 38 3HZ TRP 38 -7.117 1.910 -1.176 263 HH2 TRP 38 HH TRP 38 -9.189 1.140 -2.213 264 H GLN 39 H GLN 39 -6.152 10.175 -1.024 265 HA GLN 39 HA GLN 39 -4.443 10.856 0.366 266 HB2 GLN 39 1HB GLN 39 -6.976 11.698 1.766 267 HB3 GLN 39 2HB GLN 39 -5.384 12.219 2.300 268 HG2 GLN 39 1HG GLN 39 -5.020 13.152 0.007 269 HG3 GLN 39 2HG GLN 39 -6.714 12.801 -0.330 270 HE21 GLN 39 2HE2 GLN 39 -6.392 16.324 0.753 271 HE22 GLN 39 1HE2 GLN 39 -5.721 15.353 -0.509 272 H LEU 40 H LEU 40 -4.983 8.112 0.757 273 HA LEU 40 HA LEU 40 -4.987 7.678 3.634 274 HB2 LEU 40 1HB LEU 40 -6.270 6.129 2.354 275 HB3 LEU 40 2HB LEU 40 -4.914 5.812 1.274 276 HG LEU 40 HG LEU 40 -3.806 4.970 3.539 277 HD11 LEU 40 1HD1 LEU 40 -6.763 4.836 4.000 278 HD12 LEU 40 2HD1 LEU 40 -5.490 5.377 5.094 279 HD13 LEU 40 3HD1 LEU 40 -5.668 3.661 4.728 280 HD21 LEU 40 3HD2 LEU 40 -3.982 2.907 2.634 281 HD22 LEU 40 1HD2 LEU 40 -4.639 3.808 1.268 282 HD23 LEU 40 2HD2 LEU 40 -5.729 3.030 2.417 283 HA PRO 41 HA PRO 41 -0.541 7.891 3.741 284 HB2 PRO 41 2HB PRO 41 -0.793 8.864 5.806 285 HB3 PRO 41 1HB PRO 41 -0.295 7.265 6.371 286 HG2 PRO 41 1HG PRO 41 -2.475 6.601 6.813 287 HG3 PRO 41 2HG PRO 41 -2.601 8.333 7.170 288 HD2 PRO 41 1HD PRO 41 -4.211 7.094 5.380 289 HD3 PRO 41 2HD PRO 41 -3.709 8.787 5.200 290 H GLY 42 H GLY 42 1.231 6.449 4.073 291 HA2 GLY 42 1HA GLY 42 0.822 3.829 3.214 292 HA3 GLY 42 2HA GLY 42 2.292 4.417 3.978 293 H LYS 43 H LYS 43 1.573 4.964 6.507 294 HA LYS 43 HA LYS 43 1.722 2.630 7.876 295 HB2 LYS 43 1HB LYS 43 0.997 3.795 9.839 296 HB3 LYS 43 2HB LYS 43 1.898 4.932 8.845 297 HG2 LYS 43 1HG LYS 43 -0.143 5.951 8.075 298 HG3 LYS 43 2HG LYS 43 -1.106 4.743 8.929 299 HD2 LYS 43 1HD LYS 43 0.857 6.428 10.431 300 HD3 LYS 43 2HD LYS 43 -0.722 7.087 9.999 301 HE2 LYS 43 1HE LYS 43 -1.644 4.902 11.039 302 HE3 LYS 43 2HE LYS 43 -0.057 4.784 11.797 303 HZ1 LYS 43 3HZ LYS 43 -2.125 6.858 12.173 304 HZ2 LYS 43 1HZ LYS 43 -0.507 7.160 12.565 305 HZ3 LYS 43 2HZ LYS 43 -1.347 5.915 13.342 306 H ASN 44 H ASN 44 -1.164 4.076 6.529 307 HA ASN 44 HA ASN 44 -2.889 2.101 7.793 308 HB2 ASN 44 1HB ASN 44 -3.458 4.426 5.948 309 HB3 ASN 44 2HB ASN 44 -4.701 3.320 6.525 310 HD21 ASN 44 2HD2 ASN 44 -4.622 6.301 8.706 311 HD22 ASN 44 1HD2 ASN 44 -4.852 6.007 7.019 312 H LEU 45 H LEU 45 -1.289 2.676 4.783 313 HA LEU 45 HA LEU 45 -2.903 1.071 3.109 314 HB2 LEU 45 1HB LEU 45 -1.346 2.667 2.189 315 HB3 LEU 45 2HB LEU 45 0.011 1.817 2.924 316 HG LEU 45 HG LEU 45 -0.624 -0.154 1.442 317 HD11 LEU 45 1HD1 LEU 45 -2.108 1.971 -0.089 318 HD12 LEU 45 2HD1 LEU 45 -2.892 0.745 0.907 319 HD13 LEU 45 3HD1 LEU 45 -1.942 0.263 -0.499 320 HD21 LEU 45 3HD2 LEU 45 0.134 1.873 -0.482 321 HD22 LEU 45 1HD2 LEU 45 1.064 0.517 0.157 322 HD23 LEU 45 2HD2 LEU 45 1.016 2.044 1.037 323 H LEU 46 H LEU 46 -0.224 0.356 5.258 324 HA LEU 46 HA LEU 46 -0.053 -2.397 4.366 325 HB2 LEU 46 1HB LEU 46 1.391 -0.746 6.406 326 HB3 LEU 46 2HB LEU 46 1.553 -2.501 6.388 327 HG LEU 46 HG LEU 46 2.328 -0.606 4.172 328 HD11 LEU 46 1HD1 LEU 46 4.602 -1.657 4.706 329 HD12 LEU 46 2HD1 LEU 46 3.868 -2.145 6.233 330 HD13 LEU 46 3HD1 LEU 46 3.975 -0.436 5.813 331 HD21 LEU 46 3HD2 LEU 46 2.131 -3.582 4.315 332 HD22 LEU 46 1HD2 LEU 46 3.399 -2.836 3.342 333 HD23 LEU 46 2HD2 LEU 46 1.704 -2.488 2.999 334 H GLN 47 H GLN 47 -1.833 -0.596 6.633 335 HA GLN 47 HA GLN 47 -2.486 -3.021 8.168 336 HB2 GLN 47 1HB GLN 47 -2.879 -0.113 8.894 337 HB3 GLN 47 2HB GLN 47 -3.369 -1.477 9.890 338 HG2 GLN 47 1HG GLN 47 -0.559 -0.727 9.118 339 HG3 GLN 47 2HG GLN 47 -1.301 -0.570 10.710 340 HE21 GLN 47 2HE2 GLN 47 0.816 -3.649 10.478 341 HE22 GLN 47 1HE2 GLN 47 1.085 -1.985 10.099 342 H LEU 48 H LEU 48 -3.541 -2.100 5.505 343 HA LEU 48 HA LEU 48 -6.217 -1.230 5.863 344 HB2 LEU 48 1HB LEU 48 -4.596 -2.310 3.626 345 HB3 LEU 48 2HB LEU 48 -6.350 -2.382 3.467 346 HG LEU 48 HG LEU 48 -4.682 0.104 3.845 347 HD11 LEU 48 1HD1 LEU 48 -4.997 0.562 1.620 348 HD12 LEU 48 2HD1 LEU 48 -6.436 -0.450 1.500 349 HD13 LEU 48 3HD1 LEU 48 -4.838 -1.194 1.577 350 HD21 LEU 48 3HD2 LEU 48 -7.306 0.735 3.076 351 HD22 LEU 48 1HD2 LEU 48 -6.518 1.081 4.616 352 HD23 LEU 48 2HD2 LEU 48 -7.446 -0.406 4.415 353 H CYS 49 H CYS 49 -8.052 -2.642 4.873 354 HA CYS 49 HA CYS 49 -7.884 -5.464 5.318 355 HB2 CYS 49 1HB CYS 49 -9.866 -5.187 7.080 356 HB3 CYS 49 2HB CYS 49 -8.179 -5.245 7.574 357 HG CYS 49 HG CYS 49 -9.938 -3.217 8.840 358 HA PRO 50 HA PRO 50 -11.349 -5.515 2.632 359 HB2 PRO 50 2HB PRO 50 -11.209 -7.808 2.643 360 HB3 PRO 50 1HB PRO 50 -12.745 -7.673 3.506 361 HG2 PRO 50 1HG PRO 50 -11.749 -7.958 5.583 362 HG3 PRO 50 2HG PRO 50 -10.684 -8.969 4.589 363 HD2 PRO 50 1HD PRO 50 -9.753 -6.944 6.126 364 HD3 PRO 50 2HD PRO 50 -8.991 -7.406 4.590 365 H GLN 51 H GLN 51 -11.810 -5.094 5.998 366 HA GLN 51 HA GLN 51 -14.674 -4.646 5.780 367 HB2 GLN 51 1HB GLN 51 -12.711 -4.825 8.012 368 HB3 GLN 51 2HB GLN 51 -14.174 -3.887 8.282 369 HG2 GLN 51 1HG GLN 51 -14.577 -6.082 9.073 370 HG3 GLN 51 2HG GLN 51 -15.491 -5.885 7.579 371 HE21 GLN 51 2HE2 GLN 51 -12.240 -8.371 7.663 372 HE22 GLN 51 1HE2 GLN 51 -12.366 -7.052 8.771 373 H SER 52 H SER 52 -11.720 -2.848 5.801 374 HA SER 52 HA SER 52 -13.061 -0.317 6.309 375 HB2 SER 52 1HB SER 52 -10.916 0.652 6.451 376 HB3 SER 52 2HB SER 52 -10.713 -0.952 7.156 377 HG SER 52 HG SER 52 -9.488 0.119 5.022 378 H LEU 53 H LEU 53 -11.048 -1.702 3.711 379 HA LEU 53 HA LEU 53 -11.101 0.173 1.801 380 HB2 LEU 53 1HB LEU 53 -11.495 -2.784 1.599 381 HB3 LEU 53 2HB LEU 53 -11.532 -1.786 0.147 382 HG LEU 53 HG LEU 53 -9.192 -1.584 1.989 383 HD11 LEU 53 1HD1 LEU 53 -8.238 -3.396 0.318 384 HD12 LEU 53 2HD1 LEU 53 -9.921 -3.923 0.313 385 HD13 LEU 53 3HD1 LEU 53 -9.025 -3.849 1.830 386 HD21 LEU 53 3HD2 LEU 53 -9.371 -1.505 -1.016 387 HD22 LEU 53 1HD2 LEU 53 -8.032 -0.977 0.003 388 HD23 LEU 53 2HD2 LEU 53 -9.552 -0.082 0.011 389 H GLU 54 H GLU 54 -13.837 -1.919 2.614 390 HA GLU 54 HA GLU 54 -15.623 -1.340 0.637 391 HB2 GLU 54 1HB GLU 54 -16.225 -1.530 3.593 392 HB3 GLU 54 2HB GLU 54 -17.414 -1.673 2.306 393 HG2 GLU 54 1HG GLU 54 -16.405 -3.689 1.508 394 HG3 GLU 54 2HG GLU 54 -15.055 -3.509 2.627 395 H ALA 55 H ALA 55 -15.031 0.608 3.550 396 HA ALA 55 HA ALA 55 -16.906 2.592 3.199 397 HB1 ALA 55 3HB ALA 55 -14.863 4.037 4.202 398 HB2 ALA 55 1HB ALA 55 -15.862 2.946 5.163 399 HB3 ALA 55 2HB ALA 55 -14.299 2.404 4.553 400 H LEU 56 H LEU 56 -13.834 2.165 1.558 401 HA LEU 56 HA LEU 56 -13.995 4.731 0.232 402 HB2 LEU 56 1HB LEU 56 -12.126 2.435 -0.324 403 HB3 LEU 56 2HB LEU 56 -11.936 4.107 -0.846 404 HG LEU 56 HG LEU 56 -11.816 3.145 2.012 405 HD11 LEU 56 1HD1 LEU 56 -9.770 2.468 1.416 406 HD12 LEU 56 2HD1 LEU 56 -9.373 4.186 1.390 407 HD13 LEU 56 3HD1 LEU 56 -9.811 3.360 -0.105 408 HD21 LEU 56 3HD2 LEU 56 -11.880 5.273 2.650 409 HD22 LEU 56 1HD2 LEU 56 -12.380 5.682 1.008 410 HD23 LEU 56 2HD2 LEU 56 -10.672 5.733 1.449 411 H ALA 57 H ALA 57 -16.087 2.614 -0.143 412 HA ALA 57 HA ALA 57 -17.471 1.950 -1.827 413 HB1 ALA 57 3HB ALA 57 -16.519 2.949 -4.198 414 HB2 ALA 57 1HB ALA 57 -17.647 3.766 -3.116 415 HB3 ALA 57 2HB ALA 57 -15.920 4.114 -3.017 416 H VAL 58 H VAL 58 -15.109 0.421 -1.067 417 HA VAL 58 HA VAL 58 -14.618 -1.026 -3.588 418 HB VAL 58 HB VAL 58 -12.851 -0.981 -1.138 419 HG11 VAL 58 1HG1 VAL 58 -13.026 -2.827 -3.249 420 HG12 VAL 58 2HG1 VAL 58 -11.580 -1.862 -3.551 421 HG13 VAL 58 3HG1 VAL 58 -11.771 -2.710 -2.016 422 HG21 VAL 58 3HG2 VAL 58 -12.615 1.146 -2.086 423 HG22 VAL 58 1HG2 VAL 58 -11.286 0.216 -2.777 424 HG23 VAL 58 2HG2 VAL 58 -12.735 0.526 -3.733 425 H ARG 59 H ARG 59 -16.763 -2.009 -2.979 426 HA ARG 59 HA ARG 59 -16.715 -3.891 -0.778 427 HB2 ARG 59 1HB ARG 59 -18.810 -3.477 -2.919 428 HB3 ARG 59 2HB ARG 59 -19.003 -4.421 -1.448 429 HG2 ARG 59 1HG ARG 59 -20.008 -2.498 -0.788 430 HG3 ARG 59 2HG ARG 59 -18.349 -2.122 -0.318 431 HD2 ARG 59 1HD ARG 59 -18.044 -0.657 -2.068 432 HD3 ARG 59 2HD ARG 59 -19.276 -1.428 -3.066 433 HE ARG 59 HE ARG 59 -20.601 -0.350 -0.897 434 HH11 ARG 59 2HH1 ARG 59 -18.625 0.814 -3.516 435 HH12 ARG 59 1HH1 ARG 59 -19.399 2.363 -3.584 436 HH21 ARG 59 1HH2 ARG 59 -21.106 2.858 -2.138 437 HH22 ARG 59 2HH2 ARG 59 -21.628 1.685 -0.976 438 H SER 60 H SER 60 -16.781 -4.002 -4.321 439 HA SER 60 HA SER 60 -17.030 -6.670 -4.812 440 HB2 SER 60 1HB SER 60 -16.600 -4.675 -6.439 441 HB3 SER 60 2HB SER 60 -14.905 -5.129 -6.271 442 HG SER 60 HG SER 60 -16.910 -7.003 -6.952 443 H LEU 61 H LEU 61 -15.686 -8.460 -4.911 444 HA LEU 61 HA LEU 61 -13.507 -8.456 -3.021 445 HB2 LEU 61 1HB LEU 61 -15.317 -10.292 -3.529 446 HB3 LEU 61 2HB LEU 61 -14.150 -10.799 -4.749 447 HG LEU 61 HG LEU 61 -13.919 -12.111 -2.714 448 HD11 LEU 61 1HD1 LEU 61 -11.927 -11.217 -4.164 449 HD12 LEU 61 2HD1 LEU 61 -11.628 -12.101 -2.669 450 HD13 LEU 61 3HD1 LEU 61 -11.523 -10.341 -2.688 451 HD21 LEU 61 3HD2 LEU 61 -14.547 -9.810 -1.385 452 HD22 LEU 61 1HD2 LEU 61 -12.813 -9.945 -1.090 453 HD23 LEU 61 2HD2 LEU 61 -13.889 -11.268 -0.640 454 H GLY 62 H GLY 62 -13.856 -9.263 -6.479 455 HA2 GLY 62 1HA GLY 62 -11.339 -9.924 -7.200 456 HA3 GLY 62 2HA GLY 62 -12.360 -8.910 -8.208 457 H HIS 63 H HIS 63 -12.468 -6.570 -6.825 458 HA HIS 63 HA HIS 63 -10.004 -5.368 -7.477 459 HB2 HIS 63 1HB HIS 63 -12.476 -4.448 -6.052 460 HB3 HIS 63 2HB HIS 63 -11.043 -3.424 -6.060 461 HD1 HIS 63 1HD HIS 63 -13.811 -2.800 -7.507 462 HD2 HIS 63 2HD HIS 63 -10.345 -4.214 -9.310 463 HE1 HIS 63 1HE HIS 63 -13.990 -2.132 -9.925 464 HE2 HIS 63 2HE HIS 63 -11.923 -3.073 -11.013 465 H GLN 64 H GLN 64 -11.402 -6.406 -4.405 466 HA GLN 64 HA GLN 64 -9.445 -5.297 -2.717 467 HB2 GLN 64 1HB GLN 64 -11.364 -7.592 -2.418 468 HB3 GLN 64 2HB GLN 64 -10.214 -7.197 -1.148 469 HG2 GLN 64 1HG GLN 64 -11.182 -5.078 -0.790 470 HG3 GLN 64 2HG GLN 64 -12.126 -5.178 -2.276 471 HE21 GLN 64 2HE2 GLN 64 -14.760 -5.971 -0.109 472 HE22 GLN 64 1HE2 GLN 64 -14.005 -4.741 -1.058 473 H GLU 65 H GLU 65 -9.705 -8.507 -4.209 474 HA GLU 65 HA GLU 65 -7.436 -9.651 -3.044 475 HB2 GLU 65 1HB GLU 65 -9.052 -10.187 -5.487 476 HB3 GLU 65 2HB GLU 65 -7.476 -10.955 -5.368 477 HG2 GLU 65 1HG GLU 65 -9.600 -11.160 -3.251 478 HG3 GLU 65 2HG GLU 65 -9.383 -12.333 -4.549 479 H LEU 66 H LEU 66 -7.799 -7.690 -5.957 480 HA LEU 66 HA LEU 66 -5.252 -7.987 -7.032 481 HB2 LEU 66 1HB LEU 66 -7.191 -5.693 -7.068 482 HB3 LEU 66 2HB LEU 66 -5.655 -5.633 -7.930 483 HG LEU 66 HG LEU 66 -7.633 -7.833 -8.434 484 HD11 LEU 66 1HD1 LEU 66 -8.366 -5.247 -8.743 485 HD12 LEU 66 2HD1 LEU 66 -8.953 -6.575 -9.743 486 HD13 LEU 66 3HD1 LEU 66 -7.617 -5.572 -10.307 487 HD21 LEU 66 3HD2 LEU 66 -5.051 -7.315 -9.317 488 HD22 LEU 66 1HD2 LEU 66 -6.086 -6.812 -10.653 489 HD23 LEU 66 2HD2 LEU 66 -6.201 -8.454 -10.019 490 H ILE 67 H ILE 67 -6.413 -5.470 -4.792 491 HA ILE 67 HA ILE 67 -3.808 -4.356 -4.417 492 HB ILE 67 HB ILE 67 -6.311 -3.987 -2.767 493 HG12 ILE 67 1HG1 ILE 67 -5.132 -2.251 -4.947 494 HG13 ILE 67 2HG1 ILE 67 -6.530 -3.303 -5.142 495 HG21 ILE 67 1HG2 ILE 67 -3.974 -2.112 -2.877 496 HG22 ILE 67 2HG2 ILE 67 -5.277 -2.191 -1.692 497 HG23 ILE 67 3HG2 ILE 67 -4.035 -3.442 -1.721 498 HD11 ILE 67 3HD1 ILE 67 -6.293 -0.830 -3.459 499 HD12 ILE 67 1HD1 ILE 67 -7.363 -1.124 -4.830 500 HD13 ILE 67 2HD1 ILE 67 -7.628 -1.973 -3.306 501 H LEU 68 H LEU 68 -5.968 -5.793 -1.971 502 HA LEU 68 HA LEU 68 -4.309 -6.179 0.091 503 HB2 LEU 68 1HB LEU 68 -6.325 -8.114 -1.018 504 HB3 LEU 68 2HB LEU 68 -5.512 -8.364 0.525 505 HG LEU 68 HG LEU 68 -7.263 -5.996 -0.130 506 HD11 LEU 68 1HD1 LEU 68 -8.615 -7.984 -0.092 507 HD12 LEU 68 2HD1 LEU 68 -8.880 -7.080 1.399 508 HD13 LEU 68 3HD1 LEU 68 -7.859 -8.517 1.410 509 HD21 LEU 68 3HD2 LEU 68 -6.108 -6.953 2.488 510 HD22 LEU 68 1HD2 LEU 68 -7.160 -5.557 2.257 511 HD23 LEU 68 2HD2 LEU 68 -5.539 -5.563 1.563 512 H GLY 69 H GLY 69 -4.375 -8.189 -2.819 513 HA2 GLY 69 1HA GLY 69 -2.579 -10.171 -1.998 514 HA3 GLY 69 2HA GLY 69 -2.854 -9.684 -3.664 515 H GLY 70 H GLY 70 -1.902 -7.182 -3.826 516 HA2 GLY 70 1HA GLY 70 0.896 -7.573 -3.918 517 HA3 GLY 70 2HA GLY 70 0.063 -6.047 -4.176 518 H VAL 71 H VAL 71 -1.186 -5.923 -1.600 519 HA VAL 71 HA VAL 71 0.758 -4.552 -0.149 520 HB VAL 71 HB VAL 71 -1.767 -5.812 0.933 521 HG11 VAL 71 1HG1 VAL 71 0.132 -4.919 2.496 522 HG12 VAL 71 2HG1 VAL 71 -0.507 -3.341 2.032 523 HG13 VAL 71 3HG1 VAL 71 -1.554 -4.519 2.824 524 HG21 VAL 71 3HG2 VAL 71 -1.352 -3.007 -0.092 525 HG22 VAL 71 1HG2 VAL 71 -2.099 -4.305 -1.023 526 HG23 VAL 71 2HG2 VAL 71 -2.863 -3.731 0.459 527 H GLU 72 H GLU 72 -0.396 -7.882 0.165 528 HA GLU 72 HA GLU 72 0.832 -8.635 2.513 529 HB2 GLU 72 1HB GLU 72 0.429 -10.230 -0.021 530 HB3 GLU 72 2HB GLU 72 0.938 -10.935 1.507 531 HG2 GLU 72 1HG GLU 72 -1.236 -9.699 2.375 532 HG3 GLU 72 2HG GLU 72 -1.706 -9.882 0.687 533 H GLN 73 H GLN 73 2.241 -8.265 -0.686 534 HA GLN 73 HA GLN 73 4.760 -9.425 -0.014 535 HB2 GLN 73 1HB GLN 73 3.639 -7.919 -2.320 536 HB3 GLN 73 2HB GLN 73 5.389 -7.945 -2.146 537 HG2 GLN 73 1HG GLN 73 3.839 -10.493 -2.027 538 HG3 GLN 73 2HG GLN 73 4.202 -9.746 -3.582 539 HE21 GLN 73 2HE2 GLN 73 7.134 -11.498 -1.364 540 HE22 GLN 73 1HE2 GLN 73 5.591 -11.129 -0.680 541 H LEU 74 H LEU 74 3.433 -6.172 0.019 542 HA LEU 74 HA LEU 74 5.871 -4.799 0.430 543 HB2 LEU 74 1HB LEU 74 2.987 -4.145 0.868 544 HB3 LEU 74 2HB LEU 74 4.237 -3.061 1.474 545 HG LEU 74 HG LEU 74 3.777 -3.831 -1.407 546 HD11 LEU 74 1HD1 LEU 74 2.946 -1.564 0.290 547 HD12 LEU 74 2HD1 LEU 74 2.179 -2.260 -1.137 548 HD13 LEU 74 3HD1 LEU 74 3.547 -1.162 -1.319 549 HD21 LEU 74 3HD2 LEU 74 5.916 -3.302 -1.717 550 HD22 LEU 74 1HD2 LEU 74 6.094 -2.759 -0.048 551 HD23 LEU 74 2HD2 LEU 74 5.488 -1.648 -1.277 552 H GLN 75 H GLN 75 3.312 -5.752 2.724 553 HA GLN 75 HA GLN 75 4.317 -4.857 5.077 554 HB2 GLN 75 1HB GLN 75 2.863 -7.385 4.384 555 HB3 GLN 75 2HB GLN 75 3.398 -7.108 6.036 556 HG2 GLN 75 1HG GLN 75 2.163 -4.917 5.948 557 HG3 GLN 75 2HG GLN 75 1.468 -5.468 4.424 558 HE21 GLN 75 2HE2 GLN 75 -0.404 -8.111 6.002 559 HE22 GLN 75 1HE2 GLN 75 0.623 -7.838 4.640 560 H ALA 76 H ALA 76 5.620 -7.395 3.103 561 HA ALA 76 HA ALA 76 7.324 -8.505 5.125 562 HB1 ALA 76 3HB ALA 76 8.458 -9.485 2.986 563 HB2 ALA 76 1HB ALA 76 6.866 -10.054 3.488 564 HB3 ALA 76 2HB ALA 76 7.011 -8.877 2.182 565 H LEU 77 H LEU 77 8.172 -6.854 2.077 566 HA LEU 77 HA LEU 77 10.815 -6.324 2.678 567 HB2 LEU 77 1HB LEU 77 10.559 -4.390 1.066 568 HB3 LEU 77 2HB LEU 77 10.125 -5.989 0.465 569 HG LEU 77 HG LEU 77 7.702 -5.215 1.184 570 HD11 LEU 77 1HD1 LEU 77 8.101 -2.607 0.211 571 HD12 LEU 77 2HD1 LEU 77 9.257 -2.841 1.521 572 HD13 LEU 77 3HD1 LEU 77 7.536 -3.096 1.809 573 HD21 LEU 77 3HD2 LEU 77 7.811 -5.758 -1.012 574 HD22 LEU 77 1HD2 LEU 77 9.284 -4.827 -1.284 575 HD23 LEU 77 2HD2 LEU 77 7.725 -4.006 -1.200 576 H SER 78 H SER 78 7.931 -4.523 3.567 577 HA SER 78 HA SER 78 9.303 -2.246 4.586 578 HB2 SER 78 1HB SER 78 7.014 -1.959 3.970 579 HB3 SER 78 2HB SER 78 6.501 -3.297 4.997 580 HG SER 78 HG SER 78 7.842 -1.189 6.225 581 H SER 79 H SER 79 7.707 -4.997 6.195 582 HA SER 79 HA SER 79 8.742 -4.260 8.771 583 HB2 SER 79 1HB SER 79 7.424 -6.846 7.907 584 HB3 SER 79 2HB SER 79 7.666 -6.301 9.567 585 HG SER 79 HG SER 79 5.639 -5.677 9.119 586 H ARG 80 H ARG 80 10.964 -4.274 8.697 587 HA ARG 80 HA ARG 80 12.287 -6.781 7.940 588 HB2 ARG 80 1HB ARG 80 13.194 -3.935 8.151 589 HB3 ARG 80 2HB ARG 80 14.375 -5.231 8.279 590 HG2 ARG 80 1HG ARG 80 13.654 -6.078 6.085 591 HG3 ARG 80 2HG ARG 80 12.527 -4.725 5.957 592 HD2 ARG 80 1HD ARG 80 14.569 -3.228 6.308 593 HD3 ARG 80 2HD ARG 80 15.530 -4.670 5.980 594 HE ARG 80 HE ARG 80 13.731 -4.465 3.902 595 HH11 ARG 80 2HH1 ARG 80 16.281 -2.520 5.254 596 HH12 ARG 80 1HH1 ARG 80 16.689 -1.772 3.745 597 HH21 ARG 80 1HH2 ARG 80 15.537 -2.323 1.843 598 HH22 ARG 80 2HH2 ARG 80 14.258 -3.488 1.909 599 H LEU 81 H LEU 81 14.232 -7.358 9.304 600 HA LEU 81 HA LEU 81 13.466 -7.180 12.133 601 HB2 LEU 81 1HB LEU 81 13.553 -9.425 11.541 602 HB3 LEU 81 2HB LEU 81 14.971 -9.199 10.517 603 HG LEU 81 HG LEU 81 16.421 -9.119 12.392 604 HD11 LEU 81 1HD1 LEU 81 15.720 -9.028 14.665 605 HD12 LEU 81 2HD1 LEU 81 14.027 -9.229 14.214 606 HD13 LEU 81 3HD1 LEU 81 14.879 -7.741 13.801 607 HD21 LEU 81 3HD2 LEU 81 16.105 -11.353 11.989 608 HD22 LEU 81 1HD2 LEU 81 14.387 -11.295 12.385 609 HD23 LEU 81 2HD2 LEU 81 15.590 -11.257 13.674 610 H GLN 82 H GLN 82 14.470 -5.484 13.040 611 HA GLN 82 HA GLN 82 16.111 -3.944 13.516 612 HB2 GLN 82 1HB GLN 82 17.604 -6.550 13.862 613 HB3 GLN 82 2HB GLN 82 18.103 -5.003 14.533 614 HG2 GLN 82 1HG GLN 82 15.411 -6.135 15.168 615 HG3 GLN 82 2HG GLN 82 16.848 -6.686 16.028 616 HE21 GLN 82 2HE2 GLN 82 16.592 -4.098 18.282 617 HE22 GLN 82 1HE2 GLN 82 16.907 -5.763 17.942 618 H THR 83 H THR 83 15.918 -3.872 10.877 619 HA THR 83 HA THR 83 18.303 -4.554 9.475 620 HB THR 83 HB THR 83 16.134 -4.278 8.328 621 HG1 THR 83 1HG THR 83 18.294 -2.609 7.529 622 HG21 THR 83 3HG2 THR 83 16.318 -1.355 8.200 623 HG22 THR 83 1HG2 THR 83 15.876 -1.982 9.788 624 HG23 THR 83 2HG2 THR 83 14.905 -2.394 8.375 625 H GLU 84 H GLU 84 17.251 -1.787 11.305 626 HA GLU 84 HA GLU 84 18.793 0.263 10.361 627 HB2 GLU 84 1HB GLU 84 17.218 0.470 12.243 628 HB3 GLU 84 2HB GLU 84 18.333 -0.420 13.270 629 HG2 GLU 84 1HG GLU 84 18.558 1.895 13.761 630 HG3 GLU 84 2HG GLU 84 20.010 1.375 12.907 631 H ASN 85 H ASN 85 19.817 -2.302 12.590 632 HA ASN 85 HA ASN 85 22.534 -1.326 12.652 633 HB2 ASN 85 1HB ASN 85 22.840 -3.615 13.883 634 HB3 ASN 85 2HB ASN 85 21.972 -2.306 14.679 635 HD21 ASN 85 2HD2 ASN 85 20.165 -5.796 13.861 636 HD22 ASN 85 1HD2 ASN 85 21.828 -5.489 13.509 637 H SER 86 H SER 86 20.961 -4.321 11.521 638 HA SER 86 HA SER 86 22.695 -4.428 9.221 639 HB2 SER 86 1HB SER 86 24.158 -5.443 10.896 640 HB3 SER 86 2HB SER 86 22.882 -6.572 11.352 641 HG SER 86 HG SER 86 24.005 -6.398 8.752 642 H GLY 87 H GLY 87 21.838 -5.627 7.572 643 HA2 GLY 87 1HA GLY 87 19.424 -7.209 8.184 644 HA3 GLY 87 2HA GLY 87 19.409 -6.013 6.897 645 HA PRO 88 HA PRO 88 20.534 -10.166 5.116 646 HB2 PRO 88 2HB PRO 88 18.337 -10.719 4.735 647 HB3 PRO 88 1HB PRO 88 18.694 -10.089 3.122 648 HG2 PRO 88 1HG PRO 88 17.725 -8.029 3.573 649 HG3 PRO 88 2HG PRO 88 16.698 -9.078 4.569 650 HD2 PRO 88 1HD PRO 88 18.033 -6.954 5.588 651 HD3 PRO 88 2HD PRO 88 17.717 -8.425 6.530 652 H SER 89 H SER 89 21.667 -10.552 3.199 653 HA SER 89 HA SER 89 22.264 -8.152 1.594 654 HB2 SER 89 1HB SER 89 24.142 -8.936 3.066 655 HB3 SER 89 2HB SER 89 24.157 -10.445 2.154 656 HG SER 89 HG SER 89 24.299 -8.769 0.287 657 H SER 90 H SER 90 21.610 -8.292 -0.436 658 HA SER 90 HA SER 90 21.047 -10.920 -1.586 659 HB2 SER 90 1HB SER 90 20.369 -8.170 -2.657 660 HB3 SER 90 2HB SER 90 19.785 -9.710 -3.289 661 HG SER 90 HG SER 90 18.327 -9.748 -1.780 662 H GLY 91 H GLY 91 22.959 -11.748 -2.295 663 HA2 GLY 91 1HA GLY 91 24.042 -10.668 -4.717 664 HA3 GLY 91 2HA GLY 91 25.138 -10.463 -3.358 Start of MODEL 2 1 H1 GLY 1 H GLY 1 22.061 10.925 5.977 2 HA2 GLY 1 1HA GLY 1 22.927 11.118 3.731 3 HA3 GLY 1 2HA GLY 1 21.503 10.091 3.648 4 H SER 2 H SER 2 22.431 11.510 1.448 5 HA SER 2 HA SER 2 20.072 12.969 0.741 6 HB2 SER 2 1HB SER 2 21.146 15.110 0.243 7 HB3 SER 2 2HB SER 2 21.315 14.727 1.956 8 HG SER 2 HG SER 2 23.233 15.351 0.343 9 H SER 3 H SER 3 20.447 14.017 -1.533 10 HA SER 3 HA SER 3 20.572 13.308 -3.731 11 HB2 SER 3 1HB SER 3 22.810 13.600 -4.599 12 HB3 SER 3 2HB SER 3 22.559 14.766 -3.300 13 HG SER 3 HG SER 3 23.925 12.285 -3.095 14 H GLY 4 H GLY 4 19.966 11.096 -2.187 15 HA2 GLY 4 1HA GLY 4 20.563 8.969 -3.855 16 HA3 GLY 4 2HA GLY 4 21.771 8.932 -2.580 17 H SER 5 H SER 5 19.744 6.955 -3.150 18 HA SER 5 HA SER 5 18.376 6.990 -0.548 19 HB2 SER 5 1HB SER 5 17.172 6.349 -3.240 20 HB3 SER 5 2HB SER 5 16.446 5.799 -1.730 21 HG SER 5 HG SER 5 17.113 8.500 -1.952 22 H SER 6 H SER 6 19.431 5.445 0.533 23 HA SER 6 HA SER 6 20.418 3.073 -0.785 24 HB2 SER 6 1HB SER 6 21.198 2.455 1.514 25 HB3 SER 6 2HB SER 6 21.780 4.027 0.968 26 HG SER 6 HG SER 6 20.010 3.393 3.003 27 H GLY 7 H GLY 7 19.729 0.961 -0.452 28 HA2 GLY 7 1HA GLY 7 18.099 -0.657 -0.292 29 HA3 GLY 7 2HA GLY 7 17.894 -0.019 1.333 30 H MET 8 H MET 8 15.650 -0.679 1.055 31 HA MET 8 HA MET 8 14.111 1.267 -0.535 32 HB2 MET 8 1HB MET 8 14.001 -1.294 -1.045 33 HB3 MET 8 2HB MET 8 12.968 -1.350 0.377 34 HG2 MET 8 1HG MET 8 11.740 0.621 -0.880 35 HG3 MET 8 2HG MET 8 12.473 -0.147 -2.286 36 HE1 MET 8 3HE MET 8 9.695 0.386 -0.451 37 HE2 MET 8 1HE MET 8 8.578 -0.943 -0.760 38 HE3 MET 8 2HE MET 8 9.599 -0.966 0.678 39 H GLU 9 H GLU 9 12.455 2.374 0.428 40 HA GLU 9 HA GLU 9 12.495 2.466 3.315 41 HB2 GLU 9 1HB GLU 9 11.358 4.134 1.133 42 HB3 GLU 9 2HB GLU 9 10.567 4.216 2.700 43 HG2 GLU 9 1HG GLU 9 12.252 5.967 2.402 44 HG3 GLU 9 2HG GLU 9 12.622 4.898 3.754 45 HA PRO 10 HA PRO 10 9.050 -0.188 4.008 46 HB2 PRO 10 2HB PRO 10 9.749 -0.268 6.195 47 HB3 PRO 10 1HB PRO 10 8.308 0.722 6.456 48 HG2 PRO 10 1HG PRO 10 9.522 2.700 6.514 49 HG3 PRO 10 2HG PRO 10 10.711 1.587 7.216 50 HD2 PRO 10 1HD PRO 10 11.249 3.112 5.044 51 HD3 PRO 10 2HD PRO 10 11.963 1.504 5.283 52 H VAL 11 H VAL 11 7.060 -0.075 3.197 53 HA VAL 11 HA VAL 11 5.775 2.251 2.405 54 HB VAL 11 HB VAL 11 4.480 -0.393 3.087 55 HG11 VAL 11 1HG1 VAL 11 3.049 1.747 2.794 56 HG12 VAL 11 2HG1 VAL 11 3.446 1.574 1.083 57 HG13 VAL 11 3HG1 VAL 11 2.591 0.281 1.926 58 HG21 VAL 11 3HG2 VAL 11 5.643 0.641 0.503 59 HG22 VAL 11 1HG2 VAL 11 6.245 -0.703 1.473 60 HG23 VAL 11 2HG2 VAL 11 4.687 -0.833 0.658 61 H GLU 12 H GLU 12 5.638 0.540 5.461 62 HA GLU 12 HA GLU 12 3.360 1.673 6.579 63 HB2 GLU 12 1HB GLU 12 4.090 0.844 8.608 64 HB3 GLU 12 2HB GLU 12 5.000 -0.152 7.481 65 HG2 GLU 12 1HG GLU 12 6.925 1.383 7.756 66 HG3 GLU 12 2HG GLU 12 6.007 2.250 8.986 67 H THR 13 H THR 13 6.272 3.170 5.697 68 HA THR 13 HA THR 13 5.719 5.484 7.431 69 HB THR 13 HB THR 13 7.986 6.166 7.190 70 HG1 THR 13 1HG THR 13 8.489 4.011 5.414 71 HG21 THR 13 3HG2 THR 13 9.250 4.114 7.909 72 HG22 THR 13 1HG2 THR 13 7.787 3.183 7.589 73 HG23 THR 13 2HG2 THR 13 7.780 4.439 8.827 74 H TRP 14 H TRP 14 5.911 4.384 4.153 75 HA TRP 14 HA TRP 14 6.348 6.565 2.624 76 HB2 TRP 14 1HB TRP 14 4.279 4.399 2.333 77 HB3 TRP 14 2HB TRP 14 4.456 5.661 1.118 78 HD1 TRP 14 HD TRP 14 7.779 4.832 2.491 79 HE1 TRP 14 1HE TRP 14 9.061 3.282 0.885 80 HE3 TRP 14 3HE TRP 14 3.928 3.491 -0.593 81 HZ2 TRP 14 2HZ TRP 14 8.513 1.701 -1.388 82 HZ3 TRP 14 3HZ TRP 14 4.391 1.956 -2.460 83 HH2 TRP 14 HH TRP 14 6.637 1.082 -2.848 84 H THR 15 H THR 15 5.079 8.251 1.724 85 HA THR 15 HA THR 15 3.222 9.397 3.627 86 HB THR 15 HB THR 15 3.178 11.274 1.825 87 HG1 THR 15 1HG THR 15 4.334 9.683 0.337 88 HG21 THR 15 3HG2 THR 15 4.454 11.150 4.065 89 HG22 THR 15 1HG2 THR 15 4.986 12.325 2.863 90 HG23 THR 15 2HG2 THR 15 5.870 10.813 3.069 91 HA PRO 16 HA PRO 16 -0.551 8.373 1.630 92 HB2 PRO 16 2HB PRO 16 -1.625 9.487 3.328 93 HB3 PRO 16 1HB PRO 16 -2.016 10.623 2.032 94 HG2 PRO 16 1HG PRO 16 -0.315 12.087 2.629 95 HG3 PRO 16 2HG PRO 16 -0.745 11.444 4.225 96 HD2 PRO 16 1HD PRO 16 1.776 11.338 3.242 97 HD3 PRO 16 2HD PRO 16 1.118 10.090 4.320 98 H GLY 17 H GLY 17 1.576 10.510 0.309 99 HA2 GLY 17 1HA GLY 17 -0.217 11.272 -1.899 100 HA3 GLY 17 2HA GLY 17 1.318 12.042 -1.526 101 H LYS 18 H LYS 18 2.258 9.086 -1.103 102 HA LYS 18 HA LYS 18 3.166 8.782 -3.856 103 HB2 LYS 18 1HB LYS 18 3.985 7.337 -1.329 104 HB3 LYS 18 2HB LYS 18 4.721 7.104 -2.910 105 HG2 LYS 18 1HG LYS 18 5.715 9.205 -2.896 106 HG3 LYS 18 2HG LYS 18 4.632 9.814 -1.641 107 HD2 LYS 18 1HD LYS 18 6.582 9.471 -0.453 108 HD3 LYS 18 2HD LYS 18 5.728 7.950 -0.182 109 HE2 LYS 18 1HE LYS 18 7.047 6.824 -1.802 110 HE3 LYS 18 2HE LYS 18 7.724 8.338 -2.401 111 HZ1 LYS 18 3HZ LYS 18 8.687 6.684 -0.343 112 HZ2 LYS 18 1HZ LYS 18 8.287 8.188 0.321 113 HZ3 LYS 18 2HZ LYS 18 9.376 8.096 -0.970 114 H VAL 19 H VAL 19 1.484 6.914 -1.355 115 HA VAL 19 HA VAL 19 1.161 4.482 -2.500 116 HB VAL 19 HB VAL 19 -1.026 6.060 -1.137 117 HG11 VAL 19 1HG1 VAL 19 -1.537 3.879 -2.512 118 HG12 VAL 19 2HG1 VAL 19 -0.867 3.086 -1.085 119 HG13 VAL 19 3HG1 VAL 19 -2.269 4.145 -0.930 120 HG21 VAL 19 3HG2 VAL 19 0.127 5.799 0.744 121 HG22 VAL 19 1HG2 VAL 19 0.135 4.052 0.507 122 HG23 VAL 19 2HG2 VAL 19 1.434 5.038 -0.163 123 H ALA 20 H ALA 20 -0.518 7.443 -3.405 124 HA ALA 20 HA ALA 20 -2.509 6.505 -5.042 125 HB1 ALA 20 3HB ALA 20 -0.979 8.809 -6.088 126 HB2 ALA 20 1HB ALA 20 -2.710 8.631 -5.796 127 HB3 ALA 20 2HB ALA 20 -1.617 8.952 -4.450 128 H THR 21 H THR 21 0.918 6.906 -5.818 129 HA THR 21 HA THR 21 0.654 6.182 -8.560 130 HB THR 21 HB THR 21 3.128 6.089 -6.824 131 HG1 THR 21 1HG THR 21 1.775 8.161 -8.136 132 HG21 THR 21 3HG2 THR 21 3.001 4.894 -9.148 133 HG22 THR 21 1HG2 THR 21 4.396 5.893 -8.746 134 HG23 THR 21 2HG2 THR 21 3.120 6.536 -9.780 135 H TRP 22 H TRP 22 1.818 4.426 -5.690 136 HA TRP 22 HA TRP 22 2.359 1.996 -6.974 137 HB2 TRP 22 1HB TRP 22 3.139 2.552 -4.698 138 HB3 TRP 22 2HB TRP 22 1.482 2.439 -4.111 139 HD1 TRP 22 HD TRP 22 4.425 0.278 -5.212 140 HE1 TRP 22 1HE TRP 22 3.955 -2.165 -4.552 141 HE3 TRP 22 3HE TRP 22 -0.436 0.766 -3.707 142 HZ2 TRP 22 2HZ TRP 22 1.807 -3.684 -3.529 143 HZ3 TRP 22 3HZ TRP 22 -1.628 -1.230 -2.902 144 HH2 TRP 22 HH TRP 22 -0.528 -3.408 -2.815 145 H LEU 23 H LEU 23 -0.626 3.433 -5.963 146 HA LEU 23 HA LEU 23 -2.121 0.959 -6.115 147 HB2 LEU 23 1HB LEU 23 -2.716 3.787 -5.435 148 HB3 LEU 23 2HB LEU 23 -4.047 2.786 -6.012 149 HG LEU 23 HG LEU 23 -2.318 2.073 -3.648 150 HD11 LEU 23 1HD1 LEU 23 -3.798 4.230 -3.554 151 HD12 LEU 23 2HD1 LEU 23 -3.796 3.083 -2.214 152 HD13 LEU 23 3HD1 LEU 23 -5.114 3.068 -3.385 153 HD21 LEU 23 3HD2 LEU 23 -3.529 0.201 -3.471 154 HD22 LEU 23 1HD2 LEU 23 -3.968 0.493 -5.154 155 HD23 LEU 23 2HD2 LEU 23 -5.038 1.029 -3.858 156 H ARG 24 H ARG 24 -1.692 3.891 -8.040 157 HA ARG 24 HA ARG 24 -3.626 3.273 -10.008 158 HB2 ARG 24 1HB ARG 24 -2.409 5.512 -9.506 159 HB3 ARG 24 2HB ARG 24 -1.163 4.891 -10.581 160 HG2 ARG 24 1HG ARG 24 -4.012 4.950 -11.472 161 HG3 ARG 24 2HG ARG 24 -3.030 6.416 -11.523 162 HD2 ARG 24 1HD ARG 24 -1.307 4.888 -12.739 163 HD3 ARG 24 2HD ARG 24 -2.708 3.860 -13.040 164 HE ARG 24 HE ARG 24 -3.382 5.348 -14.628 165 HH11 ARG 24 2HH1 ARG 24 -1.189 6.961 -12.459 166 HH12 ARG 24 1HH1 ARG 24 -1.156 8.431 -13.376 167 HH21 ARG 24 1HH2 ARG 24 -2.385 8.609 -15.301 168 HH22 ARG 24 2HH2 ARG 24 -3.347 7.277 -15.844 169 H GLY 25 H GLY 25 -0.167 2.595 -9.737 170 HA2 GLY 25 1HA GLY 25 0.161 1.527 -12.339 171 HA3 GLY 25 2HA GLY 25 1.223 1.243 -10.968 172 H LEU 26 H LEU 26 -0.720 0.052 -9.256 173 HA LEU 26 HA LEU 26 -0.433 -2.576 -9.569 174 HB2 LEU 26 1HB LEU 26 -2.679 -0.963 -8.500 175 HB3 LEU 26 2HB LEU 26 -2.954 -2.691 -8.717 176 HG LEU 26 HG LEU 26 -0.644 -1.608 -7.120 177 HD11 LEU 26 1HD1 LEU 26 -1.905 -1.718 -5.151 178 HD12 LEU 26 2HD1 LEU 26 -3.235 -2.562 -5.943 179 HD13 LEU 26 3HD1 LEU 26 -2.938 -0.860 -6.294 180 HD21 LEU 26 3HD2 LEU 26 -0.171 -3.745 -6.640 181 HD22 LEU 26 1HD2 LEU 26 -1.136 -4.116 -8.070 182 HD23 LEU 26 2HD2 LEU 26 -1.870 -4.186 -6.468 183 H ASP 27 H ASP 27 -3.297 -0.913 -10.900 184 HA ASP 27 HA ASP 27 -3.179 -2.204 -13.400 185 HB2 ASP 27 1HB ASP 27 -4.783 -3.536 -11.265 186 HB3 ASP 27 2HB ASP 27 -5.442 -3.498 -12.898 187 H ASP 28 H ASP 28 -5.036 -1.711 -14.760 188 HA ASP 28 HA ASP 28 -5.985 0.912 -14.353 189 HB2 ASP 28 1HB ASP 28 -7.470 0.390 -16.335 190 HB3 ASP 28 2HB ASP 28 -5.745 0.147 -16.597 191 H SER 29 H SER 29 -7.490 -2.253 -13.918 192 HA SER 29 HA SER 29 -10.114 -1.536 -13.496 193 HB2 SER 29 1HB SER 29 -8.391 -3.742 -12.447 194 HB3 SER 29 2HB SER 29 -9.997 -3.524 -11.752 195 HG SER 29 HG SER 29 -9.537 -3.704 -14.541 196 H LEU 30 H LEU 30 -7.393 -0.728 -11.612 197 HA LEU 30 HA LEU 30 -9.121 0.109 -9.377 198 HB2 LEU 30 1HB LEU 30 -6.137 -0.182 -9.236 199 HB3 LEU 30 2HB LEU 30 -7.295 -0.096 -7.910 200 HG LEU 30 HG LEU 30 -7.155 -2.417 -9.824 201 HD11 LEU 30 1HD1 LEU 30 -5.563 -3.440 -8.601 202 HD12 LEU 30 2HD1 LEU 30 -6.099 -2.710 -7.089 203 HD13 LEU 30 3HD1 LEU 30 -5.101 -1.784 -8.209 204 HD21 LEU 30 3HD2 LEU 30 -8.188 -3.447 -7.635 205 HD22 LEU 30 1HD2 LEU 30 -9.196 -2.591 -8.802 206 HD23 LEU 30 2HD2 LEU 30 -8.657 -1.772 -7.335 207 H GLN 31 H GLN 31 -6.813 1.118 -11.767 208 HA GLN 31 HA GLN 31 -6.034 3.591 -10.749 209 HB2 GLN 31 1HB GLN 31 -5.149 4.008 -12.821 210 HB3 GLN 31 2HB GLN 31 -5.353 2.265 -12.933 211 HG2 GLN 31 1HG GLN 31 -7.376 2.524 -14.192 212 HG3 GLN 31 2HG GLN 31 -7.347 4.271 -13.958 213 HE21 GLN 31 2HE2 GLN 31 -4.626 4.758 -16.248 214 HE22 GLN 31 1HE2 GLN 31 -5.180 5.267 -14.693 215 H ASP 32 H ASP 32 -9.107 2.554 -11.673 216 HA ASP 32 HA ASP 32 -10.150 5.049 -12.605 217 HB2 ASP 32 1HB ASP 32 -11.784 2.804 -11.433 218 HB3 ASP 32 2HB ASP 32 -12.262 3.982 -12.653 219 H TYR 33 H TYR 33 -10.108 3.354 -9.505 220 HA TYR 33 HA TYR 33 -11.808 5.069 -8.089 221 HB2 TYR 33 1HB TYR 33 -9.503 3.351 -7.165 222 HB3 TYR 33 2HB TYR 33 -10.568 4.212 -6.059 223 HD1 TYR 33 2HD TYR 33 -12.880 3.505 -5.756 224 HD2 TYR 33 1HD TYR 33 -10.280 1.409 -8.392 225 HE1 TYR 33 2HE TYR 33 -14.462 1.623 -5.810 226 HE2 TYR 33 1HE TYR 33 -11.856 -0.478 -8.455 227 HH TYR 33 HH TYR 33 -14.829 -0.454 -6.518 228 HA PRO 34 HA PRO 34 -9.446 8.768 -7.705 229 HB2 PRO 34 2HB PRO 34 -11.428 9.789 -7.152 230 HB3 PRO 34 1HB PRO 34 -10.700 9.826 -5.542 231 HG2 PRO 34 1HG PRO 34 -11.876 7.956 -4.828 232 HG3 PRO 34 2HG PRO 34 -13.062 8.661 -5.942 233 HD2 PRO 34 1HD PRO 34 -12.173 6.115 -6.182 234 HD3 PRO 34 2HD PRO 34 -12.636 7.100 -7.584 235 H PHE 35 H PHE 35 -7.522 7.475 -7.088 236 HA PHE 35 HA PHE 35 -6.956 6.867 -4.380 237 HB2 PHE 35 1HB PHE 35 -5.104 7.274 -6.736 238 HB3 PHE 35 2HB PHE 35 -4.603 6.637 -5.174 239 HD1 PHE 35 2HD PHE 35 -6.920 4.882 -4.563 240 HD2 PHE 35 1HD PHE 35 -4.744 5.479 -8.173 241 HE1 PHE 35 2HE PHE 35 -7.521 2.612 -5.298 242 HE2 PHE 35 1HE PHE 35 -5.343 3.210 -8.913 243 HZ PHE 35 HZ PHE 35 -6.732 1.773 -7.475 244 H GLU 36 H GLU 36 -5.976 9.566 -6.477 245 HA GLU 36 HA GLU 36 -4.367 10.939 -4.688 246 HB2 GLU 36 1HB GLU 36 -5.050 11.389 -7.214 247 HB3 GLU 36 2HB GLU 36 -6.177 12.509 -6.462 248 HG2 GLU 36 1HG GLU 36 -4.050 13.327 -5.184 249 HG3 GLU 36 2HG GLU 36 -3.203 12.576 -6.535 250 H ASP 37 H ASP 37 -7.722 10.396 -4.551 251 HA ASP 37 HA ASP 37 -8.193 12.666 -2.767 252 HB2 ASP 37 1HB ASP 37 -9.831 12.125 -4.585 253 HB3 ASP 37 2HB ASP 37 -10.176 10.610 -3.757 254 H TRP 38 H TRP 38 -7.734 9.238 -2.735 255 HA TRP 38 HA TRP 38 -8.946 8.567 -0.308 256 HB2 TRP 38 1HB TRP 38 -6.637 7.411 -1.846 257 HB3 TRP 38 2HB TRP 38 -7.087 6.753 -0.275 258 HD1 TRP 38 HD TRP 38 -9.874 7.941 -2.568 259 HE1 TRP 38 1HE TRP 38 -11.193 5.899 -3.412 260 HE3 TRP 38 3HE TRP 38 -6.807 4.228 -0.851 261 HZ2 TRP 38 2HZ TRP 38 -10.964 3.086 -3.358 262 HZ3 TRP 38 3HZ TRP 38 -7.430 1.888 -1.288 263 HH2 TRP 38 HH TRP 38 -9.466 1.331 -2.515 264 H GLN 39 H GLN 39 -5.950 10.199 -0.994 265 HA GLN 39 HA GLN 39 -4.199 10.839 0.366 266 HB2 GLN 39 1HB GLN 39 -6.674 11.739 1.842 267 HB3 GLN 39 2HB GLN 39 -5.051 12.266 2.269 268 HG2 GLN 39 1HG GLN 39 -6.303 12.673 -0.435 269 HG3 GLN 39 2HG GLN 39 -6.315 13.869 0.859 270 HE21 GLN 39 2HE2 GLN 39 -3.121 15.029 0.231 271 HE22 GLN 39 1HE2 GLN 39 -4.589 15.146 1.135 272 H LEU 40 H LEU 40 -4.744 8.119 0.778 273 HA LEU 40 HA LEU 40 -4.746 7.697 3.658 274 HB2 LEU 40 1HB LEU 40 -6.044 6.115 2.524 275 HB3 LEU 40 2HB LEU 40 -4.826 5.886 1.271 276 HG LEU 40 HG LEU 40 -3.435 4.965 3.348 277 HD11 LEU 40 1HD1 LEU 40 -5.911 3.699 4.191 278 HD12 LEU 40 2HD1 LEU 40 -5.870 5.425 4.551 279 HD13 LEU 40 3HD1 LEU 40 -4.594 4.368 5.154 280 HD21 LEU 40 3HD2 LEU 40 -5.456 3.070 2.288 281 HD22 LEU 40 1HD2 LEU 40 -3.703 2.913 2.406 282 HD23 LEU 40 2HD2 LEU 40 -4.417 3.894 1.125 283 HA PRO 41 HA PRO 41 -0.296 7.861 3.730 284 HB2 PRO 41 2HB PRO 41 -0.521 8.862 5.785 285 HB3 PRO 41 1HB PRO 41 -0.039 7.263 6.365 286 HG2 PRO 41 1HG PRO 41 -2.225 6.633 6.830 287 HG3 PRO 41 2HG PRO 41 -2.326 8.371 7.167 288 HD2 PRO 41 1HD PRO 41 -3.965 7.131 5.404 289 HD3 PRO 41 2HD PRO 41 -3.442 8.815 5.200 290 H GLY 42 H GLY 42 1.448 6.399 3.997 291 HA2 GLY 42 1HA GLY 42 0.937 3.748 3.248 292 HA3 GLY 42 2HA GLY 42 2.473 4.351 3.855 293 H LYS 43 H LYS 43 1.730 5.107 6.428 294 HA LYS 43 HA LYS 43 2.087 2.827 7.901 295 HB2 LYS 43 1HB LYS 43 1.353 4.082 9.844 296 HB3 LYS 43 2HB LYS 43 2.304 5.121 8.791 297 HG2 LYS 43 1HG LYS 43 -0.055 5.769 7.836 298 HG3 LYS 43 2HG LYS 43 -0.602 5.197 9.414 299 HD2 LYS 43 1HD LYS 43 1.695 7.098 9.264 300 HD3 LYS 43 2HD LYS 43 0.052 7.711 9.059 301 HE2 LYS 43 1HE LYS 43 0.745 5.937 11.371 302 HE3 LYS 43 2HE LYS 43 1.105 7.662 11.427 303 HZ1 LYS 43 3HZ LYS 43 -1.045 7.175 12.412 304 HZ2 LYS 43 1HZ LYS 43 -1.578 6.471 10.969 305 HZ3 LYS 43 2HZ LYS 43 -1.233 8.126 11.026 306 H ASN 44 H ASN 44 -0.955 4.243 6.823 307 HA ASN 44 HA ASN 44 -2.510 2.212 8.200 308 HB2 ASN 44 1HB ASN 44 -3.188 4.642 6.568 309 HB3 ASN 44 2HB ASN 44 -4.418 3.430 6.914 310 HD21 ASN 44 2HD2 ASN 44 -4.934 4.422 10.189 311 HD22 ASN 44 1HD2 ASN 44 -5.312 3.331 8.904 312 H LEU 45 H LEU 45 -1.291 2.903 5.018 313 HA LEU 45 HA LEU 45 -2.965 1.362 3.429 314 HB2 LEU 45 1HB LEU 45 -1.247 2.841 2.537 315 HB3 LEU 45 2HB LEU 45 0.010 1.779 3.167 316 HG LEU 45 HG LEU 45 -1.058 -0.006 1.626 317 HD11 LEU 45 1HD1 LEU 45 -2.096 0.945 -0.389 318 HD12 LEU 45 2HD1 LEU 45 -2.109 2.531 0.382 319 HD13 LEU 45 3HD1 LEU 45 -3.069 1.215 1.058 320 HD21 LEU 45 3HD2 LEU 45 0.867 2.115 1.146 321 HD22 LEU 45 1HD2 LEU 45 0.143 1.509 -0.344 322 HD23 LEU 45 2HD2 LEU 45 0.955 0.396 0.757 323 H LEU 46 H LEU 46 -0.218 0.390 5.415 324 HA LEU 46 HA LEU 46 -0.344 -2.355 4.534 325 HB2 LEU 46 1HB LEU 46 1.232 -0.950 6.677 326 HB3 LEU 46 2HB LEU 46 1.332 -2.686 6.395 327 HG LEU 46 HG LEU 46 2.131 -0.502 4.474 328 HD11 LEU 46 1HD1 LEU 46 4.329 -1.963 4.817 329 HD12 LEU 46 2HD1 LEU 46 3.579 -2.233 6.389 330 HD13 LEU 46 3HD1 LEU 46 3.929 -0.591 5.850 331 HD21 LEU 46 3HD2 LEU 46 3.012 -2.461 3.143 332 HD22 LEU 46 1HD2 LEU 46 1.259 -2.258 3.152 333 HD23 LEU 46 2HD2 LEU 46 2.010 -3.493 4.165 334 H GLN 47 H GLN 47 -1.949 -0.446 6.830 335 HA GLN 47 HA GLN 47 -2.625 -2.735 8.522 336 HB2 GLN 47 1HB GLN 47 -3.151 0.223 8.811 337 HB3 GLN 47 2HB GLN 47 -3.797 -0.987 9.912 338 HG2 GLN 47 1HG GLN 47 -1.393 -1.710 10.285 339 HG3 GLN 47 2HG GLN 47 -0.933 -0.221 9.461 340 HE21 GLN 47 2HE2 GLN 47 -1.010 1.489 12.450 341 HE22 GLN 47 1HE2 GLN 47 -0.206 1.104 10.971 342 H LEU 48 H LEU 48 -3.752 -1.236 5.779 343 HA LEU 48 HA LEU 48 -6.498 -1.044 6.092 344 HB2 LEU 48 1HB LEU 48 -4.679 -1.557 3.807 345 HB3 LEU 48 2HB LEU 48 -6.394 -1.882 3.566 346 HG LEU 48 HG LEU 48 -5.179 0.766 4.352 347 HD11 LEU 48 1HD1 LEU 48 -5.854 -0.485 1.789 348 HD12 LEU 48 2HD1 LEU 48 -4.763 0.852 2.151 349 HD13 LEU 48 3HD1 LEU 48 -6.497 1.143 2.008 350 HD21 LEU 48 3HD2 LEU 48 -7.874 0.936 3.443 351 HD22 LEU 48 1HD2 LEU 48 -7.198 1.410 5.002 352 HD23 LEU 48 2HD2 LEU 48 -7.791 -0.234 4.761 353 H CYS 49 H CYS 49 -8.152 -2.527 5.100 354 HA CYS 49 HA CYS 49 -7.494 -5.360 5.276 355 HB2 CYS 49 1HB CYS 49 -9.260 -3.892 7.179 356 HB3 CYS 49 2HB CYS 49 -9.743 -5.511 6.687 357 HG CYS 49 HG CYS 49 -8.044 -6.840 8.121 358 HA PRO 50 HA PRO 50 -10.412 -5.826 2.037 359 HB2 PRO 50 2HB PRO 50 -9.885 -8.062 2.009 360 HB3 PRO 50 1HB PRO 50 -11.541 -8.229 2.602 361 HG2 PRO 50 1HG PRO 50 -10.862 -8.462 4.810 362 HG3 PRO 50 2HG PRO 50 -9.493 -9.227 3.983 363 HD2 PRO 50 1HD PRO 50 -9.184 -7.165 5.711 364 HD3 PRO 50 2HD PRO 50 -8.115 -7.409 4.315 365 H GLN 51 H GLN 51 -11.542 -5.926 5.318 366 HA GLN 51 HA GLN 51 -14.339 -5.769 4.552 367 HB2 GLN 51 1HB GLN 51 -13.021 -5.642 7.269 368 HB3 GLN 51 2HB GLN 51 -14.756 -5.676 6.989 369 HG2 GLN 51 1HG GLN 51 -14.728 -7.883 6.273 370 HG3 GLN 51 2HG GLN 51 -12.997 -7.852 5.938 371 HE21 GLN 51 2HE2 GLN 51 -12.047 -8.333 9.330 372 HE22 GLN 51 1HE2 GLN 51 -11.593 -7.522 7.873 373 H SER 52 H SER 52 -11.740 -3.670 5.469 374 HA SER 52 HA SER 52 -13.447 -1.426 6.088 375 HB2 SER 52 1HB SER 52 -11.022 -1.978 6.965 376 HB3 SER 52 2HB SER 52 -10.526 -1.118 5.507 377 HG SER 52 HG SER 52 -11.511 0.704 6.241 378 H LEU 53 H LEU 53 -11.151 -2.237 3.490 379 HA LEU 53 HA LEU 53 -11.200 -0.109 1.871 380 HB2 LEU 53 1HB LEU 53 -11.341 -3.023 1.272 381 HB3 LEU 53 2HB LEU 53 -11.485 -1.878 -0.061 382 HG LEU 53 HG LEU 53 -9.174 -1.614 1.802 383 HD11 LEU 53 1HD1 LEU 53 -8.716 -3.358 -0.510 384 HD12 LEU 53 2HD1 LEU 53 -9.682 -4.074 0.779 385 HD13 LEU 53 3HD1 LEU 53 -8.072 -3.447 1.130 386 HD21 LEU 53 3HD2 LEU 53 -8.774 -0.034 0.281 387 HD22 LEU 53 1HD2 LEU 53 -10.001 -0.668 -0.816 388 HD23 LEU 53 2HD2 LEU 53 -8.373 -1.345 -0.828 389 H GLU 54 H GLU 54 -13.897 -2.303 2.375 390 HA GLU 54 HA GLU 54 -15.604 -1.646 0.341 391 HB2 GLU 54 1HB GLU 54 -16.410 -1.982 3.235 392 HB3 GLU 54 2HB GLU 54 -17.446 -2.204 1.832 393 HG2 GLU 54 1HG GLU 54 -15.932 -4.049 1.104 394 HG3 GLU 54 2HG GLU 54 -15.093 -3.888 2.646 395 H ALA 55 H ALA 55 -15.278 0.086 3.434 396 HA ALA 55 HA ALA 55 -17.159 2.059 3.080 397 HB1 ALA 55 3HB ALA 55 -15.975 3.354 4.687 398 HB2 ALA 55 1HB ALA 55 -15.755 1.658 5.118 399 HB3 ALA 55 2HB ALA 55 -14.455 2.540 4.315 400 H LEU 56 H LEU 56 -14.065 1.712 1.526 401 HA LEU 56 HA LEU 56 -14.091 4.410 0.463 402 HB2 LEU 56 1HB LEU 56 -12.251 2.086 -0.085 403 HB3 LEU 56 2HB LEU 56 -12.025 3.728 -0.685 404 HG LEU 56 HG LEU 56 -11.998 2.931 2.225 405 HD11 LEU 56 1HD1 LEU 56 -9.655 3.739 0.524 406 HD12 LEU 56 2HD1 LEU 56 -10.100 2.057 0.810 407 HD13 LEU 56 3HD1 LEU 56 -9.643 3.090 2.164 408 HD21 LEU 56 3HD2 LEU 56 -10.995 5.216 2.472 409 HD22 LEU 56 1HD2 LEU 56 -12.698 5.197 2.012 410 HD23 LEU 56 2HD2 LEU 56 -11.461 5.530 0.800 411 H ALA 57 H ALA 57 -16.143 2.242 -0.191 412 HA ALA 57 HA ALA 57 -17.498 1.847 -1.988 413 HB1 ALA 57 3HB ALA 57 -16.124 3.036 -4.166 414 HB2 ALA 57 1HB ALA 57 -17.590 3.589 -3.355 415 HB3 ALA 57 2HB ALA 57 -16.010 4.128 -2.786 416 H VAL 58 H VAL 58 -15.090 0.260 -1.249 417 HA VAL 58 HA VAL 58 -14.629 -1.082 -3.833 418 HB VAL 58 HB VAL 58 -12.863 -1.271 -1.393 419 HG11 VAL 58 1HG1 VAL 58 -11.767 -2.848 -2.508 420 HG12 VAL 58 2HG1 VAL 58 -13.021 -2.797 -3.749 421 HG13 VAL 58 3HG1 VAL 58 -11.583 -1.786 -3.904 422 HG21 VAL 58 3HG2 VAL 58 -12.621 0.964 -2.012 423 HG22 VAL 58 1HG2 VAL 58 -11.311 0.155 -2.872 424 HG23 VAL 58 2HG2 VAL 58 -12.784 0.605 -3.731 425 H ARG 59 H ARG 59 -16.656 -2.220 -3.479 426 HA ARG 59 HA ARG 59 -16.661 -4.175 -1.310 427 HB2 ARG 59 1HB ARG 59 -18.739 -3.309 -3.314 428 HB3 ARG 59 2HB ARG 59 -18.964 -4.713 -2.278 429 HG2 ARG 59 1HG ARG 59 -18.322 -2.012 -1.148 430 HG3 ARG 59 2HG ARG 59 -19.976 -2.499 -1.522 431 HD2 ARG 59 1HD ARG 59 -19.373 -4.611 -0.118 432 HD3 ARG 59 2HD ARG 59 -18.094 -3.585 0.530 433 HE ARG 59 HE ARG 59 -19.680 -2.581 1.810 434 HH11 ARG 59 2HH1 ARG 59 -21.231 -3.880 -1.023 435 HH12 ARG 59 1HH1 ARG 59 -22.822 -3.402 -0.532 436 HH21 ARG 59 1HH2 ARG 59 -23.127 -2.301 1.454 437 HH22 ARG 59 2HH2 ARG 59 -21.769 -1.946 2.468 438 H SER 60 H SER 60 -16.607 -4.006 -4.834 439 HA SER 60 HA SER 60 -16.946 -6.637 -5.530 440 HB2 SER 60 1HB SER 60 -14.936 -4.732 -6.755 441 HB3 SER 60 2HB SER 60 -15.611 -6.167 -7.526 442 HG SER 60 HG SER 60 -16.949 -3.780 -6.800 443 H LEU 61 H LEU 61 -16.083 -8.240 -4.330 444 HA LEU 61 HA LEU 61 -13.804 -8.418 -2.912 445 HB2 LEU 61 1HB LEU 61 -15.652 -10.193 -3.549 446 HB3 LEU 61 2HB LEU 61 -14.408 -10.740 -4.671 447 HG LEU 61 HG LEU 61 -14.257 -12.085 -2.716 448 HD11 LEU 61 1HD1 LEU 61 -11.993 -11.316 -1.790 449 HD12 LEU 61 2HD1 LEU 61 -12.117 -10.001 -2.957 450 HD13 LEU 61 3HD1 LEU 61 -12.106 -11.674 -3.514 451 HD21 LEU 61 3HD2 LEU 61 -14.238 -11.320 -0.516 452 HD22 LEU 61 1HD2 LEU 61 -15.452 -10.305 -1.296 453 HD23 LEU 61 2HD2 LEU 61 -13.835 -9.669 -0.991 454 H GLY 62 H GLY 62 -13.959 -9.471 -6.324 455 HA2 GLY 62 1HA GLY 62 -11.413 -10.088 -6.890 456 HA3 GLY 62 2HA GLY 62 -12.390 -9.146 -8.006 457 H HIS 63 H HIS 63 -12.585 -6.722 -6.875 458 HA HIS 63 HA HIS 63 -10.207 -5.460 -7.506 459 HB2 HIS 63 1HB HIS 63 -12.596 -4.631 -5.895 460 HB3 HIS 63 2HB HIS 63 -11.198 -3.565 -6.000 461 HD1 HIS 63 1HD HIS 63 -14.098 -3.036 -7.232 462 HD2 HIS 63 2HD HIS 63 -10.714 -4.281 -9.296 463 HE1 HIS 63 1HE HIS 63 -14.476 -2.348 -9.621 464 HE2 HIS 63 2HE HIS 63 -12.454 -3.187 -10.866 465 H GLN 64 H GLN 64 -11.432 -6.358 -4.294 466 HA GLN 64 HA GLN 64 -9.397 -5.286 -2.745 467 HB2 GLN 64 1HB GLN 64 -11.176 -7.680 -2.367 468 HB3 GLN 64 2HB GLN 64 -9.973 -7.239 -1.162 469 HG2 GLN 64 1HG GLN 64 -11.034 -5.205 -0.685 470 HG3 GLN 64 2HG GLN 64 -12.022 -5.284 -2.143 471 HE21 GLN 64 2HE2 GLN 64 -14.520 -6.223 0.148 472 HE22 GLN 64 1HE2 GLN 64 -13.823 -4.909 -0.730 473 H GLU 65 H GLU 65 -9.642 -8.630 -3.964 474 HA GLU 65 HA GLU 65 -7.271 -9.647 -3.055 475 HB2 GLU 65 1HB GLU 65 -8.949 -10.172 -5.453 476 HB3 GLU 65 2HB GLU 65 -7.333 -10.864 -5.435 477 HG2 GLU 65 1HG GLU 65 -9.404 -12.178 -4.497 478 HG3 GLU 65 2HG GLU 65 -7.813 -12.310 -3.751 479 H LEU 66 H LEU 66 -7.768 -7.847 -6.081 480 HA LEU 66 HA LEU 66 -5.241 -7.946 -7.145 481 HB2 LEU 66 1HB LEU 66 -7.296 -5.760 -7.136 482 HB3 LEU 66 2HB LEU 66 -5.770 -5.590 -8.002 483 HG LEU 66 HG LEU 66 -7.705 -7.836 -8.524 484 HD11 LEU 66 1HD1 LEU 66 -8.851 -5.737 -8.950 485 HD12 LEU 66 2HD1 LEU 66 -8.461 -6.549 -10.466 486 HD13 LEU 66 3HD1 LEU 66 -7.494 -5.176 -9.927 487 HD21 LEU 66 3HD2 LEU 66 -6.220 -8.544 -10.022 488 HD22 LEU 66 1HD2 LEU 66 -5.071 -7.422 -9.293 489 HD23 LEU 66 2HD2 LEU 66 -6.021 -6.925 -10.693 490 H ILE 67 H ILE 67 -6.454 -5.396 -4.963 491 HA ILE 67 HA ILE 67 -3.921 -4.173 -4.621 492 HB ILE 67 HB ILE 67 -6.356 -4.014 -2.840 493 HG12 ILE 67 1HG1 ILE 67 -5.428 -2.218 -5.092 494 HG13 ILE 67 2HG1 ILE 67 -6.810 -3.307 -5.148 495 HG21 ILE 67 1HG2 ILE 67 -5.364 -2.347 -1.652 496 HG22 ILE 67 2HG2 ILE 67 -3.924 -3.269 -2.081 497 HG23 ILE 67 3HG2 ILE 67 -4.358 -1.830 -3.005 498 HD11 ILE 67 3HD1 ILE 67 -8.110 -1.734 -4.311 499 HD12 ILE 67 1HD1 ILE 67 -7.076 -1.594 -2.889 500 HD13 ILE 67 2HD1 ILE 67 -6.741 -0.622 -4.322 501 H LEU 68 H LEU 68 -5.865 -6.044 -2.281 502 HA LEU 68 HA LEU 68 -4.144 -6.285 -0.215 503 HB2 LEU 68 1HB LEU 68 -6.075 -8.216 -1.416 504 HB3 LEU 68 2HB LEU 68 -5.048 -8.741 -0.083 505 HG LEU 68 HG LEU 68 -7.467 -7.817 0.346 506 HD11 LEU 68 1HD1 LEU 68 -6.708 -8.165 2.398 507 HD12 LEU 68 2HD1 LEU 68 -5.995 -6.552 2.382 508 HD13 LEU 68 3HD1 LEU 68 -5.044 -7.942 1.858 509 HD21 LEU 68 3HD2 LEU 68 -5.817 -5.293 0.244 510 HD22 LEU 68 1HD2 LEU 68 -7.454 -5.428 0.888 511 HD23 LEU 68 2HD2 LEU 68 -7.156 -5.708 -0.827 512 H GLY 69 H GLY 69 -3.995 -8.105 -3.241 513 HA2 GLY 69 1HA GLY 69 -2.031 -9.956 -2.605 514 HA3 GLY 69 2HA GLY 69 -2.275 -9.278 -4.208 515 H GLY 70 H GLY 70 -1.623 -6.612 -3.729 516 HA2 GLY 70 1HA GLY 70 1.248 -6.804 -3.734 517 HA3 GLY 70 2HA GLY 70 0.298 -5.344 -3.969 518 H VAL 71 H VAL 71 -1.194 -5.600 -1.505 519 HA VAL 71 HA VAL 71 0.542 -4.205 0.225 520 HB VAL 71 HB VAL 71 -2.073 -5.550 0.919 521 HG11 VAL 71 1HG1 VAL 71 -0.235 -3.749 2.377 522 HG12 VAL 71 2HG1 VAL 71 -1.961 -3.415 2.525 523 HG13 VAL 71 3HG1 VAL 71 -1.325 -4.994 2.986 524 HG21 VAL 71 3HG2 VAL 71 -1.502 -3.316 -0.778 525 HG22 VAL 71 1HG2 VAL 71 -3.059 -4.037 -0.373 526 HG23 VAL 71 2HG2 VAL 71 -2.385 -2.765 0.645 527 H GLU 72 H GLU 72 -0.843 -7.481 0.486 528 HA GLU 72 HA GLU 72 0.315 -8.291 2.840 529 HB2 GLU 72 1HB GLU 72 0.096 -10.578 2.037 530 HB3 GLU 72 2HB GLU 72 -1.311 -9.633 1.572 531 HG2 GLU 72 1HG GLU 72 -0.533 -9.454 -0.679 532 HG3 GLU 72 2HG GLU 72 1.010 -10.193 -0.254 533 H GLN 73 H GLN 73 1.767 -8.130 -0.360 534 HA GLN 73 HA GLN 73 4.192 -9.443 0.406 535 HB2 GLN 73 1HB GLN 73 3.474 -7.762 -1.996 536 HB3 GLN 73 2HB GLN 73 5.029 -8.557 -1.794 537 HG2 GLN 73 1HG GLN 73 3.807 -10.727 -1.625 538 HG3 GLN 73 2HG GLN 73 2.333 -9.861 -2.054 539 HE21 GLN 73 2HE2 GLN 73 2.998 -9.770 -5.450 540 HE22 GLN 73 1HE2 GLN 73 1.949 -9.360 -4.141 541 H LEU 74 H LEU 74 3.064 -6.132 0.280 542 HA LEU 74 HA LEU 74 5.564 -4.850 0.522 543 HB2 LEU 74 1HB LEU 74 2.751 -4.048 1.180 544 HB3 LEU 74 2HB LEU 74 4.111 -2.988 1.546 545 HG LEU 74 HG LEU 74 3.202 -3.918 -1.174 546 HD11 LEU 74 1HD1 LEU 74 2.019 -2.046 -1.196 547 HD12 LEU 74 2HD1 LEU 74 3.488 -1.110 -0.926 548 HD13 LEU 74 3HD1 LEU 74 2.543 -1.683 0.449 549 HD21 LEU 74 3HD2 LEU 74 5.733 -2.624 -0.264 550 HD22 LEU 74 1HD2 LEU 74 5.054 -2.199 -1.836 551 HD23 LEU 74 2HD2 LEU 74 5.482 -3.874 -1.484 552 H GLN 75 H GLN 75 3.118 -5.626 2.997 553 HA GLN 75 HA GLN 75 4.327 -4.694 5.248 554 HB2 GLN 75 1HB GLN 75 2.628 -7.095 4.725 555 HB3 GLN 75 2HB GLN 75 3.340 -6.893 6.320 556 HG2 GLN 75 1HG GLN 75 2.320 -4.515 6.197 557 HG3 GLN 75 2HG GLN 75 1.307 -5.207 4.931 558 HE21 GLN 75 2HE2 GLN 75 -0.884 -6.667 7.148 559 HE22 GLN 75 1HE2 GLN 75 -0.518 -6.107 5.555 560 H ALA 76 H ALA 76 5.348 -7.354 3.282 561 HA ALA 76 HA ALA 76 7.088 -8.533 5.234 562 HB1 ALA 76 3HB ALA 76 6.185 -9.907 3.468 563 HB2 ALA 76 1HB ALA 76 6.940 -8.887 2.243 564 HB3 ALA 76 2HB ALA 76 7.942 -9.852 3.328 565 H LEU 77 H LEU 77 7.861 -6.990 2.109 566 HA LEU 77 HA LEU 77 10.565 -6.620 2.562 567 HB2 LEU 77 1HB LEU 77 10.352 -4.725 0.902 568 HB3 LEU 77 2HB LEU 77 9.780 -6.307 0.375 569 HG LEU 77 HG LEU 77 7.454 -5.360 1.178 570 HD11 LEU 77 1HD1 LEU 77 9.170 -3.084 1.402 571 HD12 LEU 77 2HD1 LEU 77 7.453 -3.227 1.777 572 HD13 LEU 77 3HD1 LEU 77 7.966 -2.796 0.146 573 HD21 LEU 77 3HD2 LEU 77 8.574 -5.873 -1.212 574 HD22 LEU 77 1HD2 LEU 77 8.295 -4.138 -1.372 575 HD23 LEU 77 2HD2 LEU 77 6.947 -5.219 -1.018 576 H SER 78 H SER 78 7.884 -4.402 3.262 577 HA SER 78 HA SER 78 9.286 -2.197 4.131 578 HB2 SER 78 1HB SER 78 6.948 -1.954 3.976 579 HB3 SER 78 2HB SER 78 6.646 -3.356 5.002 580 HG SER 78 HG SER 78 6.398 -1.167 5.961 581 H SER 79 H SER 79 7.838 -4.525 6.407 582 HA SER 79 HA SER 79 10.184 -4.132 8.148 583 HB2 SER 79 1HB SER 79 8.356 -3.081 9.247 584 HB3 SER 79 2HB SER 79 7.264 -4.411 8.862 585 HG SER 79 HG SER 79 8.177 -4.312 11.074 586 H ARG 80 H ARG 80 11.203 -5.902 8.899 587 HA ARG 80 HA ARG 80 10.039 -8.518 8.203 588 HB2 ARG 80 1HB ARG 80 12.913 -7.607 8.313 589 HB3 ARG 80 2HB ARG 80 12.454 -9.303 8.235 590 HG2 ARG 80 1HG ARG 80 11.273 -8.848 6.114 591 HG3 ARG 80 2HG ARG 80 11.857 -7.184 6.183 592 HD2 ARG 80 1HD ARG 80 13.256 -8.565 4.729 593 HD3 ARG 80 2HD ARG 80 14.159 -7.977 6.125 594 HE ARG 80 HE ARG 80 13.454 -10.721 5.529 595 HH11 ARG 80 2HH1 ARG 80 14.570 -8.443 7.914 596 HH12 ARG 80 1HH1 ARG 80 15.293 -9.653 8.921 597 HH21 ARG 80 1HH2 ARG 80 15.198 -11.860 8.313 598 HH22 ARG 80 2HH2 ARG 80 14.402 -12.323 6.847 599 H LEU 81 H LEU 81 9.049 -9.116 10.069 600 HA LEU 81 HA LEU 81 10.302 -8.729 12.637 601 HB2 LEU 81 1HB LEU 81 7.720 -9.830 11.653 602 HB3 LEU 81 2HB LEU 81 8.271 -10.306 13.258 603 HG LEU 81 HG LEU 81 7.865 -7.450 12.375 604 HD11 LEU 81 1HD1 LEU 81 5.688 -7.858 12.584 605 HD12 LEU 81 2HD1 LEU 81 5.988 -8.064 14.309 606 HD13 LEU 81 3HD1 LEU 81 5.974 -9.469 13.243 607 HD21 LEU 81 3HD2 LEU 81 9.447 -7.561 14.150 608 HD22 LEU 81 1HD2 LEU 81 8.469 -8.734 15.032 609 HD23 LEU 81 2HD2 LEU 81 7.906 -7.072 14.854 610 H GLN 82 H GLN 82 9.009 -11.684 11.114 611 HA GLN 82 HA GLN 82 11.468 -13.104 11.741 612 HB2 GLN 82 1HB GLN 82 10.443 -14.810 13.056 613 HB3 GLN 82 2HB GLN 82 9.985 -13.267 13.764 614 HG2 GLN 82 1HG GLN 82 7.811 -13.402 12.668 615 HG3 GLN 82 2HG GLN 82 8.269 -14.945 11.948 616 HE21 GLN 82 2HE2 GLN 82 6.483 -16.271 14.662 617 HE22 GLN 82 1HE2 GLN 82 6.426 -15.848 12.988 618 H THR 83 H THR 83 11.859 -14.823 10.408 619 HA THR 83 HA THR 83 9.849 -15.305 8.309 620 HB THR 83 HB THR 83 11.746 -16.013 6.871 621 HG1 THR 83 1HG THR 83 13.094 -16.264 8.980 622 HG21 THR 83 3HG2 THR 83 12.845 -13.478 7.255 623 HG22 THR 83 1HG2 THR 83 11.175 -13.335 7.800 624 HG23 THR 83 2HG2 THR 83 11.524 -13.906 6.168 625 H GLU 84 H GLU 84 8.757 -17.069 9.021 626 HA GLU 84 HA GLU 84 10.089 -19.291 10.268 627 HB2 GLU 84 1HB GLU 84 7.901 -20.311 10.379 628 HB3 GLU 84 2HB GLU 84 7.774 -18.624 10.854 629 HG2 GLU 84 1HG GLU 84 6.835 -18.030 8.736 630 HG3 GLU 84 2HG GLU 84 7.124 -19.650 8.103 631 H ASN 85 H ASN 85 9.815 -21.530 9.434 632 HA ASN 85 HA ASN 85 10.018 -21.609 6.496 633 HB2 ASN 85 1HB ASN 85 11.604 -23.596 6.942 634 HB3 ASN 85 2HB ASN 85 12.229 -21.969 7.194 635 HD21 ASN 85 2HD2 ASN 85 13.441 -23.335 10.184 636 HD22 ASN 85 1HD2 ASN 85 13.821 -22.899 8.556 637 H SER 86 H SER 86 8.580 -22.887 5.550 638 HA SER 86 HA SER 86 6.674 -24.375 6.976 639 HB2 SER 86 1HB SER 86 6.393 -23.436 4.657 640 HB3 SER 86 2HB SER 86 7.408 -24.751 4.066 641 HG SER 86 HG SER 86 4.932 -25.004 5.431 642 H GLY 87 H GLY 87 9.205 -25.614 4.778 643 HA2 GLY 87 1HA GLY 87 10.645 -27.376 5.942 644 HA3 GLY 87 2HA GLY 87 9.104 -28.156 6.269 645 HA PRO 88 HA PRO 88 10.919 -29.065 1.895 646 HB2 PRO 88 2HB PRO 88 13.121 -29.503 2.386 647 HB3 PRO 88 1HB PRO 88 12.548 -31.175 2.411 648 HG2 PRO 88 1HG PRO 88 12.393 -31.221 4.727 649 HG3 PRO 88 2HG PRO 88 13.771 -30.122 4.531 650 HD2 PRO 88 1HD PRO 88 11.552 -29.443 5.927 651 HD3 PRO 88 2HD PRO 88 12.511 -28.255 5.022 652 H SER 89 H SER 89 9.198 -30.448 4.361 653 HA SER 89 HA SER 89 8.745 -33.066 3.863 654 HB2 SER 89 1HB SER 89 6.468 -32.767 4.656 655 HB3 SER 89 2HB SER 89 7.543 -31.706 5.567 656 HG SER 89 HG SER 89 5.395 -31.008 4.267 657 H SER 90 H SER 90 8.893 -33.849 1.820 658 HA SER 90 HA SER 90 8.483 -34.088 -0.434 659 HB2 SER 90 1HB SER 90 5.807 -34.174 0.937 660 HB3 SER 90 2HB SER 90 5.938 -34.431 -0.803 661 HG SER 90 HG SER 90 6.659 -36.072 1.283 662 H GLY 91 H GLY 91 8.735 -31.296 0.423 663 HA2 GLY 91 1HA GLY 91 6.892 -29.517 -0.519 664 HA3 GLY 91 2HA GLY 91 8.626 -29.263 -0.658 Start of MODEL 3 1 H1 GLY 1 H GLY 1 16.638 9.167 14.907 2 HA2 GLY 1 1HA GLY 1 16.145 6.486 13.784 3 HA3 GLY 1 2HA GLY 1 14.996 7.787 13.507 4 H SER 2 H SER 2 18.220 6.604 12.814 5 HA SER 2 HA SER 2 18.234 8.259 10.392 6 HB2 SER 2 1HB SER 2 20.645 8.740 10.720 7 HB3 SER 2 2HB SER 2 19.647 9.440 11.993 8 HG SER 2 HG SER 2 21.600 7.540 12.154 9 H SER 3 H SER 3 18.894 7.215 8.603 10 HA SER 3 HA SER 3 19.932 4.480 8.951 11 HB2 SER 3 1HB SER 3 17.761 4.412 7.921 12 HB3 SER 3 2HB SER 3 18.211 5.664 6.764 13 HG SER 3 HG SER 3 18.323 3.580 5.838 14 H GLY 4 H GLY 4 21.588 3.742 7.592 15 HA2 GLY 4 1HA GLY 4 23.177 5.916 6.394 16 HA3 GLY 4 2HA GLY 4 23.830 4.402 7.003 17 H SER 5 H SER 5 22.114 2.582 5.800 18 HA SER 5 HA SER 5 23.069 2.742 3.051 19 HB2 SER 5 1HB SER 5 21.692 0.445 4.464 20 HB3 SER 5 2HB SER 5 22.523 0.376 2.910 21 HG SER 5 HG SER 5 24.280 0.030 3.985 22 H SER 6 H SER 6 21.814 3.265 1.391 23 HA SER 6 HA SER 6 18.972 3.686 1.841 24 HB2 SER 6 1HB SER 6 20.456 5.375 0.671 25 HB3 SER 6 2HB SER 6 20.532 4.250 -0.685 26 HG SER 6 HG SER 6 18.469 5.878 0.153 27 H GLY 7 H GLY 7 17.787 1.875 1.694 28 HA2 GLY 7 1HA GLY 7 18.274 0.104 -0.620 29 HA3 GLY 7 2HA GLY 7 17.615 -0.440 0.916 30 H MET 8 H MET 8 15.486 0.487 1.540 31 HA MET 8 HA MET 8 13.832 1.665 -0.465 32 HB2 MET 8 1HB MET 8 14.095 -0.867 -1.055 33 HB3 MET 8 2HB MET 8 12.974 -1.109 0.278 34 HG2 MET 8 1HG MET 8 11.610 0.748 -1.027 35 HG3 MET 8 2HG MET 8 12.528 0.104 -2.386 36 HE1 MET 8 3HE MET 8 8.652 -1.039 -1.439 37 HE2 MET 8 1HE MET 8 9.365 -1.113 0.173 38 HE3 MET 8 2HE MET 8 9.606 0.316 -0.833 39 H GLU 9 H GLU 9 12.765 3.043 0.794 40 HA GLU 9 HA GLU 9 12.338 2.818 3.525 41 HB2 GLU 9 1HB GLU 9 11.139 4.464 1.351 42 HB3 GLU 9 2HB GLU 9 10.320 4.439 2.907 43 HG2 GLU 9 1HG GLU 9 11.905 6.318 2.632 44 HG3 GLU 9 2HG GLU 9 12.252 5.288 4.020 45 HA PRO 10 HA PRO 10 9.080 -0.104 3.975 46 HB2 PRO 10 2HB PRO 10 9.633 -0.152 6.205 47 HB3 PRO 10 1HB PRO 10 8.097 0.707 6.372 48 HG2 PRO 10 1HG PRO 10 9.128 2.781 6.527 49 HG3 PRO 10 2HG PRO 10 10.359 1.766 7.301 50 HD2 PRO 10 1HD PRO 10 10.908 3.360 5.182 51 HD3 PRO 10 2HD PRO 10 11.741 1.816 5.458 52 H VAL 11 H VAL 11 7.058 -0.223 3.215 53 HA VAL 11 HA VAL 11 5.652 2.022 2.295 54 HB VAL 11 HB VAL 11 4.670 -0.785 2.821 55 HG11 VAL 11 1HG1 VAL 11 2.839 -0.152 1.221 56 HG12 VAL 11 2HG1 VAL 11 2.746 0.616 2.808 57 HG13 VAL 11 3HG1 VAL 11 3.342 1.527 1.419 58 HG21 VAL 11 3HG2 VAL 11 4.849 -0.946 0.328 59 HG22 VAL 11 1HG2 VAL 11 5.672 0.615 0.348 60 HG23 VAL 11 2HG2 VAL 11 6.392 -0.772 1.165 61 H GLU 12 H GLU 12 5.945 0.795 5.423 62 HA GLU 12 HA GLU 12 3.347 1.581 6.382 63 HB2 GLU 12 1HB GLU 12 3.970 0.690 8.408 64 HB3 GLU 12 2HB GLU 12 5.025 -0.211 7.328 65 HG2 GLU 12 1HG GLU 12 6.834 1.397 7.812 66 HG3 GLU 12 2HG GLU 12 5.772 2.198 8.968 67 H THR 13 H THR 13 6.319 3.142 5.771 68 HA THR 13 HA THR 13 5.612 5.400 7.515 69 HB THR 13 HB THR 13 7.886 6.188 7.247 70 HG1 THR 13 1HG THR 13 8.370 5.557 5.157 71 HG21 THR 13 3HG2 THR 13 7.679 4.649 9.032 72 HG22 THR 13 1HG2 THR 13 9.128 4.163 8.152 73 HG23 THR 13 2HG2 THR 13 7.623 3.269 7.936 74 H TRP 14 H TRP 14 5.576 4.380 4.281 75 HA TRP 14 HA TRP 14 6.118 6.612 2.781 76 HB2 TRP 14 1HB TRP 14 4.024 4.472 2.437 77 HB3 TRP 14 2HB TRP 14 4.253 5.747 1.243 78 HD1 TRP 14 HD TRP 14 7.516 4.772 2.698 79 HE1 TRP 14 1HE TRP 14 8.796 3.233 1.080 80 HE3 TRP 14 3HE TRP 14 3.726 3.679 -0.555 81 HZ2 TRP 14 2HZ TRP 14 8.270 1.752 -1.265 82 HZ3 TRP 14 3HZ TRP 14 4.198 2.194 -2.460 83 HH2 TRP 14 HH TRP 14 6.424 1.252 -2.805 84 H THR 15 H THR 15 4.756 8.254 1.848 85 HA THR 15 HA THR 15 2.912 9.354 3.811 86 HB THR 15 HB THR 15 2.888 11.286 2.046 87 HG1 THR 15 1HG THR 15 4.943 11.277 0.891 88 HG21 THR 15 3HG2 THR 15 5.237 10.561 3.789 89 HG22 THR 15 1HG2 THR 15 3.883 11.620 4.180 90 HG23 THR 15 2HG2 THR 15 5.080 12.123 2.986 91 HA PRO 16 HA PRO 16 -0.825 8.405 1.714 92 HB2 PRO 16 2HB PRO 16 -1.930 9.469 3.425 93 HB3 PRO 16 1HB PRO 16 -2.296 10.644 2.156 94 HG2 PRO 16 1HG PRO 16 -0.606 12.087 2.827 95 HG3 PRO 16 2HG PRO 16 -1.066 11.397 4.395 96 HD2 PRO 16 1HD PRO 16 1.473 11.318 3.456 97 HD3 PRO 16 2HD PRO 16 0.795 10.039 4.485 98 H GLY 17 H GLY 17 1.325 10.583 0.500 99 HA2 GLY 17 1HA GLY 17 -0.424 11.434 -1.708 100 HA3 GLY 17 2HA GLY 17 1.126 12.155 -1.299 101 H LYS 18 H LYS 18 2.045 9.204 -0.958 102 HA LYS 18 HA LYS 18 2.890 8.931 -3.739 103 HB2 LYS 18 1HB LYS 18 3.818 7.303 -1.374 104 HB3 LYS 18 2HB LYS 18 4.611 7.481 -2.933 105 HG2 LYS 18 1HG LYS 18 5.281 9.682 -2.463 106 HG3 LYS 18 2HG LYS 18 4.178 9.810 -1.091 107 HD2 LYS 18 1HD LYS 18 6.408 9.523 -0.251 108 HD3 LYS 18 2HD LYS 18 5.502 8.039 0.056 109 HE2 LYS 18 1HE LYS 18 7.545 7.273 -0.755 110 HE3 LYS 18 2HE LYS 18 6.495 7.220 -2.170 111 HZ1 LYS 18 3HZ LYS 18 7.814 8.637 -3.222 112 HZ2 LYS 18 1HZ LYS 18 8.917 8.516 -1.945 113 HZ3 LYS 18 2HZ LYS 18 7.760 9.749 -1.949 114 H VAL 19 H VAL 19 1.178 7.147 -1.223 115 HA VAL 19 HA VAL 19 0.901 4.657 -2.261 116 HB VAL 19 HB VAL 19 -1.271 6.325 -0.989 117 HG11 VAL 19 1HG1 VAL 19 -2.606 4.678 -1.761 118 HG12 VAL 19 2HG1 VAL 19 -1.265 3.558 -2.005 119 HG13 VAL 19 3HG1 VAL 19 -1.941 3.787 -0.392 120 HG21 VAL 19 3HG2 VAL 19 0.047 6.096 0.803 121 HG22 VAL 19 1HG2 VAL 19 -0.453 4.404 0.801 122 HG23 VAL 19 2HG2 VAL 19 1.052 4.880 0.014 123 H ALA 20 H ALA 20 -1.086 7.471 -3.153 124 HA ALA 20 HA ALA 20 -2.827 6.323 -4.933 125 HB1 ALA 20 3HB ALA 20 -2.304 8.863 -4.178 126 HB2 ALA 20 1HB ALA 20 -1.709 8.889 -5.838 127 HB3 ALA 20 2HB ALA 20 -3.379 8.428 -5.507 128 H THR 21 H THR 21 0.554 7.135 -5.429 129 HA THR 21 HA THR 21 0.514 6.623 -8.252 130 HB THR 21 HB THR 21 2.862 6.842 -6.358 131 HG1 THR 21 1HG THR 21 1.215 8.683 -7.527 132 HG21 THR 21 3HG2 THR 21 2.799 7.001 -9.373 133 HG22 THR 21 1HG2 THR 21 3.385 5.621 -8.445 134 HG23 THR 21 2HG2 THR 21 4.219 7.172 -8.342 135 H TRP 22 H TRP 22 1.013 4.745 -5.377 136 HA TRP 22 HA TRP 22 2.183 2.512 -6.815 137 HB2 TRP 22 1HB TRP 22 2.936 3.023 -4.527 138 HB3 TRP 22 2HB TRP 22 1.304 2.739 -3.928 139 HD1 TRP 22 HD TRP 22 4.407 0.894 -5.161 140 HE1 TRP 22 1HE TRP 22 4.166 -1.605 -4.594 141 HE3 TRP 22 3HE TRP 22 -0.448 0.889 -3.560 142 HZ2 TRP 22 2HZ TRP 22 2.180 -3.348 -3.601 143 HZ3 TRP 22 3HZ TRP 22 -1.444 -1.235 -2.819 144 HH2 TRP 22 HH TRP 22 -0.155 -3.309 -2.840 145 H LEU 23 H LEU 23 -0.917 3.667 -6.083 146 HA LEU 23 HA LEU 23 -2.167 1.035 -6.179 147 HB2 LEU 23 1HB LEU 23 -3.115 3.806 -5.598 148 HB3 LEU 23 2HB LEU 23 -4.279 2.569 -6.067 149 HG LEU 23 HG LEU 23 -2.405 2.249 -3.733 150 HD11 LEU 23 1HD1 LEU 23 -4.139 4.237 -3.732 151 HD12 LEU 23 2HD1 LEU 23 -3.882 3.236 -2.304 152 HD13 LEU 23 3HD1 LEU 23 -5.269 2.938 -3.350 153 HD21 LEU 23 3HD2 LEU 23 -4.137 0.493 -5.080 154 HD22 LEU 23 1HD2 LEU 23 -4.925 0.899 -3.555 155 HD23 LEU 23 2HD2 LEU 23 -3.296 0.224 -3.552 156 H ARG 24 H ARG 24 -2.067 4.044 -8.049 157 HA ARG 24 HA ARG 24 -3.843 3.246 -10.079 158 HB2 ARG 24 1HB ARG 24 -2.921 5.085 -11.377 159 HB3 ARG 24 2HB ARG 24 -3.159 5.584 -9.707 160 HG2 ARG 24 1HG ARG 24 -1.091 6.445 -10.056 161 HG3 ARG 24 2HG ARG 24 -0.631 4.833 -9.506 162 HD2 ARG 24 1HD ARG 24 -0.181 4.097 -11.689 163 HD3 ARG 24 2HD ARG 24 -1.050 5.450 -12.413 164 HE ARG 24 HE ARG 24 1.683 5.399 -11.682 165 HH11 ARG 24 2HH1 ARG 24 -1.107 7.482 -11.722 166 HH12 ARG 24 1HH1 ARG 24 -0.178 8.940 -11.839 167 HH21 ARG 24 1HH2 ARG 24 2.110 8.842 -11.905 168 HH22 ARG 24 2HH2 ARG 24 2.916 7.312 -11.836 169 H GLY 25 H GLY 25 -0.559 2.419 -9.438 170 HA2 GLY 25 1HA GLY 25 -0.032 1.521 -12.151 171 HA3 GLY 25 2HA GLY 25 1.066 1.414 -10.783 172 H LEU 26 H LEU 26 -0.859 0.121 -9.037 173 HA LEU 26 HA LEU 26 -0.248 -2.477 -9.187 174 HB2 LEU 26 1HB LEU 26 -2.693 -1.070 -8.272 175 HB3 LEU 26 2HB LEU 26 -2.770 -2.826 -8.402 176 HG LEU 26 HG LEU 26 -0.654 -1.407 -6.799 177 HD11 LEU 26 1HD1 LEU 26 -3.258 -2.525 -5.775 178 HD12 LEU 26 2HD1 LEU 26 -2.919 -0.808 -5.988 179 HD13 LEU 26 3HD1 LEU 26 -1.984 -1.754 -4.831 180 HD21 LEU 26 3HD2 LEU 26 -1.586 -4.080 -6.054 181 HD22 LEU 26 1HD2 LEU 26 0.053 -3.446 -6.199 182 HD23 LEU 26 2HD2 LEU 26 -0.809 -3.996 -7.636 183 H ASP 27 H ASP 27 -3.093 -1.093 -10.828 184 HA ASP 27 HA ASP 27 -2.759 -2.700 -13.136 185 HB2 ASP 27 1HB ASP 27 -3.713 -4.279 -11.261 186 HB3 ASP 27 2HB ASP 27 -5.235 -3.482 -11.647 187 H ASP 28 H ASP 28 -4.680 -2.503 -14.626 188 HA ASP 28 HA ASP 28 -5.532 0.236 -14.651 189 HB2 ASP 28 1HB ASP 28 -4.916 -1.029 -16.710 190 HB3 ASP 28 2HB ASP 28 -6.359 -2.016 -16.493 191 H SER 29 H SER 29 -6.877 -2.767 -13.615 192 HA SER 29 HA SER 29 -9.623 -2.053 -13.760 193 HB2 SER 29 1HB SER 29 -8.435 -4.395 -13.408 194 HB3 SER 29 2HB SER 29 -8.646 -3.990 -11.704 195 HG SER 29 HG SER 29 -10.936 -3.486 -12.540 196 H LEU 30 H LEU 30 -7.086 -1.224 -11.617 197 HA LEU 30 HA LEU 30 -8.977 -0.326 -9.560 198 HB2 LEU 30 1HB LEU 30 -5.969 -0.459 -9.437 199 HB3 LEU 30 2HB LEU 30 -7.061 -0.098 -8.101 200 HG LEU 30 HG LEU 30 -6.972 -2.745 -9.544 201 HD11 LEU 30 1HD1 LEU 30 -4.981 -2.924 -8.497 202 HD12 LEU 30 2HD1 LEU 30 -5.999 -3.281 -7.102 203 HD13 LEU 30 3HD1 LEU 30 -5.355 -1.655 -7.329 204 HD21 LEU 30 3HD2 LEU 30 -8.837 -3.178 -8.425 205 HD22 LEU 30 1HD2 LEU 30 -8.800 -1.573 -7.694 206 HD23 LEU 30 2HD2 LEU 30 -7.973 -2.919 -6.909 207 H GLN 31 H GLN 31 -7.560 0.838 -12.272 208 HA GLN 31 HA GLN 31 -6.816 3.452 -11.287 209 HB2 GLN 31 1HB GLN 31 -6.815 2.094 -13.946 210 HB3 GLN 31 2HB GLN 31 -6.779 3.852 -13.898 211 HG2 GLN 31 1HG GLN 31 -4.846 2.370 -12.205 212 HG3 GLN 31 2HG GLN 31 -4.575 2.407 -13.947 213 HE21 GLN 31 2HE2 GLN 31 -2.816 5.353 -13.453 214 HE22 GLN 31 1HE2 GLN 31 -2.805 3.700 -13.956 215 H ASP 32 H ASP 32 -9.504 2.678 -10.728 216 HA ASP 32 HA ASP 32 -10.968 4.660 -12.347 217 HB2 ASP 32 1HB ASP 32 -11.620 2.136 -12.493 218 HB3 ASP 32 2HB ASP 32 -12.359 2.418 -10.919 219 H TYR 33 H TYR 33 -10.172 3.465 -9.189 220 HA TYR 33 HA TYR 33 -12.088 5.118 -7.808 221 HB2 TYR 33 1HB TYR 33 -9.754 3.468 -6.822 222 HB3 TYR 33 2HB TYR 33 -10.851 4.349 -5.764 223 HD1 TYR 33 2HD TYR 33 -13.317 3.729 -5.811 224 HD2 TYR 33 1HD TYR 33 -10.299 1.319 -7.597 225 HE1 TYR 33 2HE TYR 33 -14.849 1.805 -5.791 226 HE2 TYR 33 1HE TYR 33 -11.824 -0.611 -7.583 227 HH TYR 33 HH TYR 33 -14.732 -0.643 -5.829 228 HA PRO 34 HA PRO 34 -9.690 8.811 -7.673 229 HB2 PRO 34 2HB PRO 34 -11.645 9.872 -7.097 230 HB3 PRO 34 1HB PRO 34 -10.858 9.979 -5.518 231 HG2 PRO 34 1HG PRO 34 -12.018 8.154 -4.675 232 HG3 PRO 34 2HG PRO 34 -13.241 8.815 -5.777 233 HD2 PRO 34 1HD PRO 34 -12.376 6.253 -5.927 234 HD3 PRO 34 2HD PRO 34 -12.884 7.175 -7.357 235 H PHE 35 H PHE 35 -7.746 7.556 -7.070 236 HA PHE 35 HA PHE 35 -7.078 7.036 -4.373 237 HB2 PHE 35 1HB PHE 35 -5.298 7.424 -6.788 238 HB3 PHE 35 2HB PHE 35 -4.754 6.807 -5.231 239 HD1 PHE 35 2HD PHE 35 -6.618 4.883 -4.392 240 HD2 PHE 35 1HD PHE 35 -5.384 5.774 -8.367 241 HE1 PHE 35 2HE PHE 35 -7.220 2.601 -5.087 242 HE2 PHE 35 1HE PHE 35 -5.985 3.494 -9.069 243 HZ PHE 35 HZ PHE 35 -6.903 1.903 -7.428 244 H GLU 36 H GLU 36 -6.558 9.801 -6.490 245 HA GLU 36 HA GLU 36 -4.770 11.231 -4.873 246 HB2 GLU 36 1HB GLU 36 -6.671 11.942 -7.057 247 HB3 GLU 36 2HB GLU 36 -5.996 13.246 -6.091 248 HG2 GLU 36 1HG GLU 36 -4.238 11.179 -7.355 249 HG3 GLU 36 2HG GLU 36 -4.802 12.586 -8.256 250 H ASP 37 H ASP 37 -8.105 10.577 -4.490 251 HA ASP 37 HA ASP 37 -8.485 12.792 -2.618 252 HB2 ASP 37 1HB ASP 37 -10.416 10.746 -3.727 253 HB3 ASP 37 2HB ASP 37 -10.855 11.988 -2.557 254 H TRP 38 H TRP 38 -8.205 9.304 -2.725 255 HA TRP 38 HA TRP 38 -9.148 8.517 -0.283 256 HB2 TRP 38 1HB TRP 38 -6.799 7.592 -1.909 257 HB3 TRP 38 2HB TRP 38 -7.136 6.863 -0.342 258 HD1 TRP 38 HD TRP 38 -10.030 7.874 -2.615 259 HE1 TRP 38 1HE TRP 38 -11.229 5.745 -3.426 260 HE3 TRP 38 3HE TRP 38 -6.755 4.373 -0.841 261 HZ2 TRP 38 2HZ TRP 38 -10.838 2.951 -3.325 262 HZ3 TRP 38 3HZ TRP 38 -7.240 1.994 -1.240 263 HH2 TRP 38 HH TRP 38 -9.240 1.300 -2.456 264 H GLN 39 H GLN 39 -6.038 10.050 -0.979 265 HA GLN 39 HA GLN 39 -4.371 10.806 0.398 266 HB2 GLN 39 1HB GLN 39 -6.877 11.719 1.807 267 HB3 GLN 39 2HB GLN 39 -5.267 12.242 2.284 268 HG2 GLN 39 1HG GLN 39 -5.019 12.981 -0.169 269 HG3 GLN 39 2HG GLN 39 -6.776 12.844 -0.225 270 HE21 GLN 39 2HE2 GLN 39 -6.354 16.298 0.582 271 HE22 GLN 39 1HE2 GLN 39 -6.335 15.200 -0.752 272 H LEU 40 H LEU 40 -5.006 8.077 0.853 273 HA LEU 40 HA LEU 40 -5.009 7.701 3.733 274 HB2 LEU 40 1HB LEU 40 -6.306 6.158 2.437 275 HB3 LEU 40 2HB LEU 40 -4.917 5.771 1.424 276 HG LEU 40 HG LEU 40 -3.897 4.952 3.711 277 HD11 LEU 40 1HD1 LEU 40 -5.806 5.744 5.049 278 HD12 LEU 40 2HD1 LEU 40 -5.552 4.006 5.195 279 HD13 LEU 40 3HD1 LEU 40 -6.856 4.623 4.183 280 HD21 LEU 40 3HD2 LEU 40 -4.687 3.709 1.531 281 HD22 LEU 40 1HD2 LEU 40 -5.982 3.148 2.589 282 HD23 LEU 40 2HD2 LEU 40 -4.300 2.813 3.000 283 HA PRO 41 HA PRO 41 -0.564 7.839 3.885 284 HB2 PRO 41 2HB PRO 41 -0.823 8.814 5.949 285 HB3 PRO 41 1HB PRO 41 -0.349 7.209 6.517 286 HG2 PRO 41 1HG PRO 41 -2.542 6.572 6.939 287 HG3 PRO 41 2HG PRO 41 -2.649 8.306 7.296 288 HD2 PRO 41 1HD PRO 41 -4.259 7.087 5.492 289 HD3 PRO 41 2HD PRO 41 -3.734 8.774 5.317 290 H GLY 42 H GLY 42 1.180 6.375 4.185 291 HA2 GLY 42 1HA GLY 42 0.691 3.737 3.379 292 HA3 GLY 42 2HA GLY 42 2.208 4.329 4.040 293 H LYS 43 H LYS 43 1.553 4.985 6.598 294 HA LYS 43 HA LYS 43 1.852 2.751 8.067 295 HB2 LYS 43 1HB LYS 43 1.205 3.958 9.968 296 HB3 LYS 43 2HB LYS 43 1.730 5.200 8.839 297 HG2 LYS 43 1HG LYS 43 -0.676 5.510 8.207 298 HG3 LYS 43 2HG LYS 43 -1.091 4.436 9.545 299 HD2 LYS 43 1HD LYS 43 0.006 5.953 11.113 300 HD3 LYS 43 2HD LYS 43 0.453 7.020 9.779 301 HE2 LYS 43 1HE LYS 43 -1.953 7.324 9.278 302 HE3 LYS 43 2HE LYS 43 -2.343 6.345 10.691 303 HZ1 LYS 43 3HZ LYS 43 -2.308 8.896 10.904 304 HZ2 LYS 43 1HZ LYS 43 -0.626 8.722 10.967 305 HZ3 LYS 43 2HZ LYS 43 -1.598 7.969 12.128 306 H ASN 44 H ASN 44 -1.196 3.963 6.797 307 HA ASN 44 HA ASN 44 -2.703 1.843 8.094 308 HB2 ASN 44 1HB ASN 44 -3.395 4.275 6.499 309 HB3 ASN 44 2HB ASN 44 -4.568 2.965 6.591 310 HD21 ASN 44 2HD2 ASN 44 -3.765 5.291 9.829 311 HD22 ASN 44 1HD2 ASN 44 -2.747 5.311 8.433 312 H LEU 45 H LEU 45 -1.498 2.706 4.916 313 HA LEU 45 HA LEU 45 -2.904 1.083 3.234 314 HB2 LEU 45 1HB LEU 45 -1.131 2.585 2.500 315 HB3 LEU 45 2HB LEU 45 0.078 1.533 3.234 316 HG LEU 45 HG LEU 45 -0.629 -0.252 1.618 317 HD11 LEU 45 1HD1 LEU 45 -1.784 1.715 -0.217 318 HD12 LEU 45 2HD1 LEU 45 -2.797 1.333 1.175 319 HD13 LEU 45 3HD1 LEU 45 -2.250 0.044 0.102 320 HD21 LEU 45 3HD2 LEU 45 1.197 1.714 1.354 321 HD22 LEU 45 1HD2 LEU 45 0.218 1.997 -0.086 322 HD23 LEU 45 2HD2 LEU 45 0.967 0.421 0.176 323 H LEU 46 H LEU 46 -0.189 0.131 5.307 324 HA LEU 46 HA LEU 46 -0.327 -2.623 4.471 325 HB2 LEU 46 1HB LEU 46 1.202 -1.261 6.682 326 HB3 LEU 46 2HB LEU 46 1.354 -2.970 6.276 327 HG LEU 46 HG LEU 46 2.006 -0.713 4.385 328 HD11 LEU 46 1HD1 LEU 46 4.124 -2.402 5.577 329 HD12 LEU 46 2HD1 LEU 46 3.413 -1.156 6.603 330 HD13 LEU 46 3HD1 LEU 46 4.166 -0.713 5.071 331 HD21 LEU 46 3HD2 LEU 46 3.383 -3.020 3.690 332 HD22 LEU 46 1HD2 LEU 46 1.973 -2.345 2.873 333 HD23 LEU 46 2HD2 LEU 46 1.765 -3.583 4.111 334 H GLN 47 H GLN 47 -1.895 -0.671 6.784 335 HA GLN 47 HA GLN 47 -2.713 -3.009 8.361 336 HB2 GLN 47 1HB GLN 47 -3.001 -0.057 8.943 337 HB3 GLN 47 2HB GLN 47 -3.569 -1.349 9.992 338 HG2 GLN 47 1HG GLN 47 -1.062 -2.126 9.837 339 HG3 GLN 47 2HG GLN 47 -0.800 -0.428 9.442 340 HE21 GLN 47 2HE2 GLN 47 -0.370 -0.438 12.994 341 HE22 GLN 47 1HE2 GLN 47 0.463 -0.814 11.528 342 H LEU 48 H LEU 48 -3.695 -2.087 5.636 343 HA LEU 48 HA LEU 48 -6.376 -1.193 5.987 344 HB2 LEU 48 1HB LEU 48 -4.732 -2.204 3.729 345 HB3 LEU 48 2HB LEU 48 -6.485 -2.226 3.548 346 HG LEU 48 HG LEU 48 -4.830 0.227 4.137 347 HD11 LEU 48 1HD1 LEU 48 -6.022 0.558 1.688 348 HD12 LEU 48 2HD1 LEU 48 -5.520 -1.131 1.655 349 HD13 LEU 48 3HD1 LEU 48 -4.332 0.135 1.965 350 HD21 LEU 48 3HD2 LEU 48 -6.731 1.346 4.460 351 HD22 LEU 48 1HD2 LEU 48 -7.507 -0.228 4.637 352 HD23 LEU 48 2HD2 LEU 48 -7.508 0.584 3.071 353 H CYS 49 H CYS 49 -8.054 -2.699 4.611 354 HA CYS 49 HA CYS 49 -7.902 -5.489 5.125 355 HB2 CYS 49 1HB CYS 49 -9.247 -3.739 7.120 356 HB3 CYS 49 2HB CYS 49 -10.054 -5.244 6.695 357 HG CYS 49 HG CYS 49 -8.006 -6.900 7.512 358 HA PRO 50 HA PRO 50 -11.103 -5.600 2.132 359 HB2 PRO 50 2HB PRO 50 -10.920 -7.890 2.152 360 HB3 PRO 50 1HB PRO 50 -12.532 -7.787 2.870 361 HG2 PRO 50 1HG PRO 50 -11.727 -8.060 5.030 362 HG3 PRO 50 2HG PRO 50 -10.555 -9.046 4.137 363 HD2 PRO 50 1HD PRO 50 -9.809 -7.008 5.757 364 HD3 PRO 50 2HD PRO 50 -8.900 -7.450 4.298 365 H GLN 51 H GLN 51 -11.924 -5.306 5.466 366 HA GLN 51 HA GLN 51 -14.743 -4.824 4.933 367 HB2 GLN 51 1HB GLN 51 -14.133 -6.063 6.950 368 HB3 GLN 51 2HB GLN 51 -13.164 -4.706 7.508 369 HG2 GLN 51 1HG GLN 51 -15.051 -3.380 7.917 370 HG3 GLN 51 2HG GLN 51 -16.100 -4.437 6.973 371 HE21 GLN 51 2HE2 GLN 51 -15.902 -4.929 10.864 372 HE22 GLN 51 1HE2 GLN 51 -15.466 -3.505 9.990 373 H SER 52 H SER 52 -11.831 -3.051 5.785 374 HA SER 52 HA SER 52 -13.171 -0.560 6.222 375 HB2 SER 52 1HB SER 52 -10.799 -1.397 7.024 376 HB3 SER 52 2HB SER 52 -10.270 -0.691 5.497 377 HG SER 52 HG SER 52 -11.279 1.272 6.182 378 H LEU 53 H LEU 53 -11.271 -1.933 3.556 379 HA LEU 53 HA LEU 53 -11.136 0.165 1.822 380 HB2 LEU 53 1HB LEU 53 -11.455 -2.768 1.439 381 HB3 LEU 53 2HB LEU 53 -11.592 -1.720 0.030 382 HG LEU 53 HG LEU 53 -9.201 -1.443 1.786 383 HD11 LEU 53 1HD1 LEU 53 -8.225 -3.379 1.219 384 HD12 LEU 53 2HD1 LEU 53 -8.910 -3.366 -0.406 385 HD13 LEU 53 3HD1 LEU 53 -9.876 -3.940 0.952 386 HD21 LEU 53 3HD2 LEU 53 -9.294 -1.428 -1.203 387 HD22 LEU 53 1HD2 LEU 53 -8.194 -0.586 -0.111 388 HD23 LEU 53 2HD2 LEU 53 -9.859 -0.030 -0.287 389 H GLU 54 H GLU 54 -13.946 -1.800 2.567 390 HA GLU 54 HA GLU 54 -15.650 -1.111 0.503 391 HB2 GLU 54 1HB GLU 54 -16.407 -1.450 3.410 392 HB3 GLU 54 2HB GLU 54 -17.489 -1.595 2.032 393 HG2 GLU 54 1HG GLU 54 -15.911 -3.460 1.248 394 HG3 GLU 54 2HG GLU 54 -15.299 -3.437 2.901 395 H ALA 55 H ALA 55 -14.832 0.701 3.412 396 HA ALA 55 HA ALA 55 -16.752 2.709 3.277 397 HB1 ALA 55 3HB ALA 55 -14.353 2.222 4.727 398 HB2 ALA 55 1HB ALA 55 -14.331 3.889 4.149 399 HB3 ALA 55 2HB ALA 55 -15.683 3.310 5.124 400 H LEU 56 H LEU 56 -13.740 2.327 1.510 401 HA LEU 56 HA LEU 56 -13.974 4.949 0.287 402 HB2 LEU 56 1HB LEU 56 -12.022 2.749 -0.360 403 HB3 LEU 56 2HB LEU 56 -11.892 4.453 -0.793 404 HG LEU 56 HG LEU 56 -11.760 3.368 2.020 405 HD11 LEU 56 1HD1 LEU 56 -9.440 3.548 1.936 406 HD12 LEU 56 2HD1 LEU 56 -9.472 4.515 0.462 407 HD13 LEU 56 3HD1 LEU 56 -9.857 2.795 0.396 408 HD21 LEU 56 3HD2 LEU 56 -12.620 5.698 1.745 409 HD22 LEU 56 1HD2 LEU 56 -11.084 6.115 0.985 410 HD23 LEU 56 2HD2 LEU 56 -11.119 5.577 2.665 411 H ALA 57 H ALA 57 -16.006 2.808 -0.146 412 HA ALA 57 HA ALA 57 -17.383 2.188 -1.855 413 HB1 ALA 57 3HB ALA 57 -16.776 4.486 -2.723 414 HB2 ALA 57 1HB ALA 57 -15.583 3.683 -3.744 415 HB3 ALA 57 2HB ALA 57 -17.297 3.311 -3.931 416 H VAL 58 H VAL 58 -14.971 0.684 -1.062 417 HA VAL 58 HA VAL 58 -14.573 -0.858 -3.544 418 HB VAL 58 HB VAL 58 -12.658 -0.554 -1.227 419 HG11 VAL 58 1HG1 VAL 58 -12.930 -2.646 -3.127 420 HG12 VAL 58 2HG1 VAL 58 -11.458 -1.748 -3.504 421 HG13 VAL 58 3HG1 VAL 58 -11.687 -2.434 -1.895 422 HG21 VAL 58 3HG2 VAL 58 -12.852 0.690 -3.922 423 HG22 VAL 58 1HG2 VAL 58 -12.331 1.388 -2.388 424 HG23 VAL 58 2HG2 VAL 58 -11.250 0.320 -3.284 425 H ARG 59 H ARG 59 -16.374 -2.187 -3.122 426 HA ARG 59 HA ARG 59 -16.181 -3.892 -0.736 427 HB2 ARG 59 1HB ARG 59 -18.507 -3.458 -2.619 428 HB3 ARG 59 2HB ARG 59 -18.527 -4.488 -1.194 429 HG2 ARG 59 1HG ARG 59 -18.401 -2.660 0.267 430 HG3 ARG 59 2HG ARG 59 -17.902 -1.560 -1.021 431 HD2 ARG 59 1HD ARG 59 -20.117 -1.837 -2.071 432 HD3 ARG 59 2HD ARG 59 -20.604 -2.870 -0.728 433 HE ARG 59 HE ARG 59 -19.786 -0.559 0.462 434 HH11 ARG 59 2HH1 ARG 59 -22.102 -1.357 -2.012 435 HH12 ARG 59 1HH1 ARG 59 -23.162 -0.042 -1.627 436 HH21 ARG 59 1HH2 ARG 59 -22.632 1.400 0.072 437 HH22 ARG 59 2HH2 ARG 59 -21.173 1.177 0.978 438 H SER 60 H SER 60 -16.561 -3.988 -4.251 439 HA SER 60 HA SER 60 -16.867 -6.651 -4.742 440 HB2 SER 60 1HB SER 60 -15.053 -4.754 -6.252 441 HB3 SER 60 2HB SER 60 -15.659 -6.291 -6.868 442 HG SER 60 HG SER 60 -17.800 -5.400 -6.544 443 H LEU 61 H LEU 61 -15.749 -8.452 -4.378 444 HA LEU 61 HA LEU 61 -13.408 -8.490 -2.840 445 HB2 LEU 61 1HB LEU 61 -15.233 -10.318 -3.370 446 HB3 LEU 61 2HB LEU 61 -14.075 -10.789 -4.611 447 HG LEU 61 HG LEU 61 -13.815 -12.149 -2.614 448 HD11 LEU 61 1HD1 LEU 61 -11.438 -11.854 -2.279 449 HD12 LEU 61 2HD1 LEU 61 -11.521 -10.220 -2.935 450 HD13 LEU 61 3HD1 LEU 61 -11.842 -11.605 -3.978 451 HD21 LEU 61 3HD2 LEU 61 -14.148 -9.626 -1.290 452 HD22 LEU 61 1HD2 LEU 61 -12.640 -10.383 -0.777 453 HD23 LEU 61 2HD2 LEU 61 -14.164 -11.255 -0.613 454 H GLY 62 H GLY 62 -13.824 -9.339 -6.285 455 HA2 GLY 62 1HA GLY 62 -11.338 -9.920 -7.099 456 HA3 GLY 62 2HA GLY 62 -12.389 -8.888 -8.056 457 H HIS 63 H HIS 63 -12.468 -6.564 -6.702 458 HA HIS 63 HA HIS 63 -10.045 -5.333 -7.381 459 HB2 HIS 63 1HB HIS 63 -12.423 -4.464 -5.764 460 HB3 HIS 63 2HB HIS 63 -11.007 -3.426 -5.899 461 HD1 HIS 63 1HD HIS 63 -13.983 -2.996 -7.123 462 HD2 HIS 63 2HD HIS 63 -10.517 -4.034 -9.166 463 HE1 HIS 63 1HE HIS 63 -14.367 -2.284 -9.504 464 HE2 HIS 63 2HE HIS 63 -12.291 -2.999 -10.738 465 H GLN 64 H GLN 64 -11.385 -6.041 -4.154 466 HA GLN 64 HA GLN 64 -9.318 -5.111 -2.594 467 HB2 GLN 64 1HB GLN 64 -11.266 -7.362 -2.243 468 HB3 GLN 64 2HB GLN 64 -10.012 -7.091 -1.041 469 HG2 GLN 64 1HG GLN 64 -10.862 -5.001 -0.449 470 HG3 GLN 64 2HG GLN 64 -11.832 -4.882 -1.917 471 HE21 GLN 64 2HE2 GLN 64 -14.467 -5.661 0.269 472 HE22 GLN 64 1HE2 GLN 64 -13.617 -4.394 -0.542 473 H GLU 65 H GLU 65 -9.645 -8.337 -4.048 474 HA GLU 65 HA GLU 65 -7.330 -9.481 -3.007 475 HB2 GLU 65 1HB GLU 65 -8.974 -9.970 -5.455 476 HB3 GLU 65 2HB GLU 65 -7.430 -10.794 -5.290 477 HG2 GLU 65 1HG GLU 65 -9.570 -10.891 -3.186 478 HG3 GLU 65 2HG GLU 65 -9.452 -12.060 -4.500 479 H LEU 66 H LEU 66 -7.785 -7.662 -6.023 480 HA LEU 66 HA LEU 66 -5.263 -7.887 -7.109 481 HB2 LEU 66 1HB LEU 66 -7.374 -5.794 -7.196 482 HB3 LEU 66 2HB LEU 66 -5.787 -5.405 -7.855 483 HG LEU 66 HG LEU 66 -7.377 -7.798 -8.753 484 HD11 LEU 66 1HD1 LEU 66 -8.737 -6.511 -9.936 485 HD12 LEU 66 2HD1 LEU 66 -7.363 -5.690 -10.676 486 HD13 LEU 66 3HD1 LEU 66 -8.039 -5.088 -9.163 487 HD21 LEU 66 3HD2 LEU 66 -4.824 -7.474 -9.129 488 HD22 LEU 66 1HD2 LEU 66 -5.336 -6.297 -10.339 489 HD23 LEU 66 2HD2 LEU 66 -5.847 -7.980 -10.474 490 H ILE 67 H ILE 67 -6.393 -5.285 -4.946 491 HA ILE 67 HA ILE 67 -3.811 -4.139 -4.637 492 HB ILE 67 HB ILE 67 -6.254 -3.834 -2.887 493 HG12 ILE 67 1HG1 ILE 67 -5.217 -2.132 -5.164 494 HG13 ILE 67 2HG1 ILE 67 -6.648 -3.155 -5.212 495 HG21 ILE 67 1HG2 ILE 67 -5.228 -2.028 -1.840 496 HG22 ILE 67 2HG2 ILE 67 -3.933 -3.217 -1.959 497 HG23 ILE 67 3HG2 ILE 67 -4.001 -1.872 -3.097 498 HD11 ILE 67 3HD1 ILE 67 -7.881 -1.723 -3.925 499 HD12 ILE 67 1HD1 ILE 67 -6.462 -1.032 -3.138 500 HD13 ILE 67 2HD1 ILE 67 -6.852 -0.590 -4.801 501 H LEU 68 H LEU 68 -5.841 -5.740 -2.176 502 HA LEU 68 HA LEU 68 -4.136 -6.035 -0.130 503 HB2 LEU 68 1HB LEU 68 -6.144 -7.932 -1.266 504 HB3 LEU 68 2HB LEU 68 -5.160 -8.426 0.110 505 HG LEU 68 HG LEU 68 -7.063 -6.086 0.022 506 HD11 LEU 68 1HD1 LEU 68 -8.293 -7.412 1.713 507 HD12 LEU 68 2HD1 LEU 68 -7.193 -8.757 1.411 508 HD13 LEU 68 3HD1 LEU 68 -8.248 -8.174 0.123 509 HD21 LEU 68 3HD2 LEU 68 -4.887 -6.804 1.845 510 HD22 LEU 68 1HD2 LEU 68 -6.435 -6.515 2.639 511 HD23 LEU 68 2HD2 LEU 68 -5.721 -5.266 1.618 512 H GLY 69 H GLY 69 -4.139 -8.081 -3.029 513 HA2 GLY 69 1HA GLY 69 -2.246 -9.959 -2.336 514 HA3 GLY 69 2HA GLY 69 -2.458 -9.338 -3.967 515 H GLY 70 H GLY 70 -1.576 -6.836 -3.934 516 HA2 GLY 70 1HA GLY 70 1.236 -7.125 -3.842 517 HA3 GLY 70 2HA GLY 70 0.365 -5.620 -4.096 518 H VAL 71 H VAL 71 -1.063 -5.606 -1.633 519 HA VAL 71 HA VAL 71 0.778 -4.297 0.022 520 HB VAL 71 HB VAL 71 -1.901 -5.479 0.765 521 HG11 VAL 71 1HG1 VAL 71 -1.663 -4.678 2.832 522 HG12 VAL 71 2HG1 VAL 71 0.056 -4.516 2.465 523 HG13 VAL 71 3HG1 VAL 71 -1.028 -3.141 2.245 524 HG21 VAL 71 3HG2 VAL 71 -2.857 -3.385 0.250 525 HG22 VAL 71 1HG2 VAL 71 -1.278 -2.612 0.108 526 HG23 VAL 71 2HG2 VAL 71 -1.805 -3.771 -1.112 527 H GLU 72 H GLU 72 -0.495 -7.596 0.119 528 HA GLU 72 HA GLU 72 0.548 -8.401 2.570 529 HB2 GLU 72 1HB GLU 72 0.034 -9.951 0.033 530 HB3 GLU 72 2HB GLU 72 0.541 -10.718 1.532 531 HG2 GLU 72 1HG GLU 72 -1.488 -9.570 2.585 532 HG3 GLU 72 2HG GLU 72 -2.025 -9.299 0.928 533 H GLN 73 H GLN 73 2.040 -8.409 -0.640 534 HA GLN 73 HA GLN 73 4.444 -9.677 0.140 535 HB2 GLN 73 1HB GLN 73 3.617 -8.012 -2.211 536 HB3 GLN 73 2HB GLN 73 5.307 -8.449 -1.996 537 HG2 GLN 73 1HG GLN 73 4.660 -10.824 -1.958 538 HG3 GLN 73 2HG GLN 73 2.989 -10.350 -2.260 539 HE21 GLN 73 2HE2 GLN 73 3.381 -10.077 -5.677 540 HE22 GLN 73 1HE2 GLN 73 2.345 -10.082 -4.295 541 H LEU 74 H LEU 74 3.477 -6.286 -0.080 542 HA LEU 74 HA LEU 74 5.982 -5.129 0.404 543 HB2 LEU 74 1HB LEU 74 3.177 -4.195 0.932 544 HB3 LEU 74 2HB LEU 74 4.581 -3.198 1.310 545 HG LEU 74 HG LEU 74 3.856 -4.208 -1.440 546 HD11 LEU 74 1HD1 LEU 74 3.694 -1.492 -1.511 547 HD12 LEU 74 2HD1 LEU 74 3.045 -1.848 0.089 548 HD13 LEU 74 3HD1 LEU 74 2.319 -2.583 -1.340 549 HD21 LEU 74 3HD2 LEU 74 5.851 -3.510 -2.123 550 HD22 LEU 74 1HD2 LEU 74 6.307 -3.340 -0.428 551 HD23 LEU 74 2HD2 LEU 74 5.651 -1.958 -1.307 552 H GLN 75 H GLN 75 3.329 -5.760 2.703 553 HA GLN 75 HA GLN 75 4.354 -4.922 5.044 554 HB2 GLN 75 1HB GLN 75 2.761 -7.358 4.358 555 HB3 GLN 75 2HB GLN 75 3.331 -7.148 6.009 556 HG2 GLN 75 1HG GLN 75 2.265 -4.782 5.776 557 HG3 GLN 75 2HG GLN 75 1.357 -5.536 4.467 558 HE21 GLN 75 2HE2 GLN 75 -0.666 -7.488 6.546 559 HE22 GLN 75 1HE2 GLN 75 -0.062 -7.241 4.947 560 H ALA 76 H ALA 76 5.571 -7.544 3.132 561 HA ALA 76 HA ALA 76 7.201 -8.681 5.208 562 HB1 ALA 76 3HB ALA 76 7.961 -9.242 2.433 563 HB2 ALA 76 1HB ALA 76 7.589 -10.347 3.757 564 HB3 ALA 76 2HB ALA 76 6.282 -9.613 2.826 565 H LEU 77 H LEU 77 8.179 -7.257 2.088 566 HA LEU 77 HA LEU 77 10.826 -6.820 2.670 567 HB2 LEU 77 1HB LEU 77 10.643 -4.892 1.019 568 HB3 LEU 77 2HB LEU 77 10.174 -6.495 0.455 569 HG LEU 77 HG LEU 77 7.766 -5.636 1.152 570 HD11 LEU 77 1HD1 LEU 77 7.462 -3.425 1.341 571 HD12 LEU 77 2HD1 LEU 77 8.647 -3.052 0.091 572 HD13 LEU 77 3HD1 LEU 77 9.180 -3.388 1.738 573 HD21 LEU 77 3HD2 LEU 77 7.565 -4.739 -1.214 574 HD22 LEU 77 1HD2 LEU 77 8.181 -6.383 -1.042 575 HD23 LEU 77 2HD2 LEU 77 9.294 -5.055 -1.371 576 H SER 78 H SER 78 8.070 -4.731 3.399 577 HA SER 78 HA SER 78 9.538 -2.530 4.363 578 HB2 SER 78 1HB SER 78 7.240 -2.184 3.833 579 HB3 SER 78 2HB SER 78 6.724 -3.484 4.907 580 HG SER 78 HG SER 78 6.522 -1.223 5.685 581 H SER 79 H SER 79 7.586 -4.734 6.368 582 HA SER 79 HA SER 79 8.427 -4.155 8.836 583 HB2 SER 79 1HB SER 79 6.880 -6.047 8.153 584 HB3 SER 79 2HB SER 79 8.323 -7.033 7.920 585 HG SER 79 HG SER 79 7.325 -7.213 10.031 586 H ARG 80 H ARG 80 10.135 -6.607 6.883 587 HA ARG 80 HA ARG 80 12.562 -6.017 8.443 588 HB2 ARG 80 1HB ARG 80 13.309 -8.303 7.632 589 HB3 ARG 80 2HB ARG 80 11.985 -8.287 8.790 590 HG2 ARG 80 1HG ARG 80 10.383 -8.648 7.015 591 HG3 ARG 80 2HG ARG 80 11.669 -8.566 5.809 592 HD2 ARG 80 1HD ARG 80 12.739 -10.508 7.069 593 HD3 ARG 80 2HD ARG 80 11.192 -10.673 7.897 594 HE ARG 80 HE ARG 80 10.709 -10.623 5.145 595 HH11 ARG 80 2HH1 ARG 80 12.232 -12.653 7.528 596 HH12 ARG 80 1HH1 ARG 80 11.932 -14.122 6.659 597 HH21 ARG 80 1HH2 ARG 80 10.837 -14.061 4.647 598 HH22 ARG 80 2HH2 ARG 80 10.307 -12.549 3.992 599 H LEU 81 H LEU 81 14.151 -5.008 7.419 600 HA LEU 81 HA LEU 81 14.206 -5.102 4.475 601 HB2 LEU 81 1HB LEU 81 14.731 -2.940 6.442 602 HB3 LEU 81 2HB LEU 81 15.688 -2.954 4.962 603 HG LEU 81 HG LEU 81 12.679 -2.981 4.942 604 HD11 LEU 81 1HD1 LEU 81 14.543 -0.613 4.928 605 HD12 LEU 81 2HD1 LEU 81 13.315 -0.995 6.134 606 HD13 LEU 81 3HD1 LEU 81 12.834 -0.549 4.497 607 HD21 LEU 81 3HD2 LEU 81 13.188 -3.463 2.802 608 HD22 LEU 81 1HD2 LEU 81 14.837 -2.855 2.945 609 HD23 LEU 81 2HD2 LEU 81 13.502 -1.731 2.694 610 H GLN 82 H GLN 82 15.883 -6.083 3.566 611 HA GLN 82 HA GLN 82 18.268 -6.589 5.210 612 HB2 GLN 82 1HB GLN 82 16.876 -8.135 3.081 613 HB3 GLN 82 2HB GLN 82 18.623 -8.295 3.195 614 HG2 GLN 82 1HG GLN 82 16.974 -8.603 5.655 615 HG3 GLN 82 2HG GLN 82 17.040 -9.921 4.485 616 HE21 GLN 82 2HE2 GLN 82 20.250 -9.015 6.810 617 HE22 GLN 82 1HE2 GLN 82 18.890 -7.955 6.697 618 H THR 83 H THR 83 17.898 -4.087 3.919 619 HA THR 83 HA THR 83 18.852 -2.635 2.421 620 HB THR 83 HB THR 83 21.313 -2.748 2.340 621 HG1 THR 83 1HG THR 83 21.158 -5.220 2.392 622 HG21 THR 83 3HG2 THR 83 20.151 -1.813 4.320 623 HG22 THR 83 1HG2 THR 83 21.722 -2.510 4.713 624 HG23 THR 83 2HG2 THR 83 20.244 -3.397 5.089 625 H GLU 84 H GLU 84 17.524 -4.702 1.084 626 HA GLU 84 HA GLU 84 19.318 -5.442 -1.113 627 HB2 GLU 84 1HB GLU 84 17.706 -7.077 -1.745 628 HB3 GLU 84 2HB GLU 84 17.881 -7.184 0.001 629 HG2 GLU 84 1HG GLU 84 15.838 -5.770 0.216 630 HG3 GLU 84 2HG GLU 84 15.635 -5.900 -1.530 631 H ASN 85 H ASN 85 18.083 -5.493 -3.319 632 HA ASN 85 HA ASN 85 16.570 -2.988 -3.629 633 HB2 ASN 85 1HB ASN 85 19.063 -2.941 -4.349 634 HB3 ASN 85 2HB ASN 85 18.527 -3.918 -5.713 635 HD21 ASN 85 2HD2 ASN 85 16.835 -1.313 -7.338 636 HD22 ASN 85 1HD2 ASN 85 16.983 -3.025 -7.162 637 H SER 86 H SER 86 14.634 -3.378 -4.450 638 HA SER 86 HA SER 86 14.321 -5.650 -6.303 639 HB2 SER 86 1HB SER 86 12.224 -6.164 -5.383 640 HB3 SER 86 2HB SER 86 13.204 -5.775 -3.970 641 HG SER 86 HG SER 86 12.276 -3.510 -4.525 642 H GLY 87 H GLY 87 13.729 -5.122 -8.297 643 HA2 GLY 87 1HA GLY 87 11.697 -3.348 -8.997 644 HA3 GLY 87 2HA GLY 87 13.205 -2.449 -9.068 645 HA PRO 88 HA PRO 88 13.298 -5.994 -12.405 646 HB2 PRO 88 2HB PRO 88 11.741 -7.609 -11.908 647 HB3 PRO 88 1HB PRO 88 10.839 -6.821 -13.208 648 HG2 PRO 88 1HG PRO 88 9.525 -5.605 -11.730 649 HG3 PRO 88 2HG PRO 88 9.781 -7.077 -10.776 650 HD2 PRO 88 1HD PRO 88 10.409 -4.613 -9.847 651 HD3 PRO 88 2HD PRO 88 11.323 -6.066 -9.394 652 H SER 89 H SER 89 11.174 -3.310 -12.148 653 HA SER 89 HA SER 89 11.289 -2.885 -15.061 654 HB2 SER 89 1HB SER 89 9.242 -2.133 -12.998 655 HB3 SER 89 2HB SER 89 9.384 -1.191 -14.482 656 HG SER 89 HG SER 89 9.163 -3.252 -15.603 657 H SER 90 H SER 90 13.424 -2.003 -14.854 658 HA SER 90 HA SER 90 14.373 -0.042 -13.253 659 HB2 SER 90 1HB SER 90 15.778 0.712 -15.150 660 HB3 SER 90 2HB SER 90 15.721 -1.046 -15.023 661 HG SER 90 HG SER 90 15.307 -0.734 -17.111 662 H GLY 91 H GLY 91 12.461 0.523 -16.206 663 HA2 GLY 91 1HA GLY 91 12.163 3.338 -15.448 664 HA3 GLY 91 2HA GLY 91 11.742 2.636 -17.003 Start of MODEL 4 1 H1 GLY 1 H GLY 1 11.798 17.167 -15.604 2 HA2 GLY 1 1HA GLY 1 12.352 15.020 -14.724 3 HA3 GLY 1 2HA GLY 1 13.548 16.109 -14.038 4 H SER 2 H SER 2 10.113 15.793 -13.226 5 HA SER 2 HA SER 2 10.599 15.864 -10.446 6 HB2 SER 2 1HB SER 2 8.219 15.351 -10.203 7 HB3 SER 2 2HB SER 2 8.458 16.557 -11.468 8 HG SER 2 HG SER 2 6.999 14.853 -12.059 9 H SER 3 H SER 3 12.164 14.235 -10.069 10 HA SER 3 HA SER 3 10.999 11.661 -9.473 11 HB2 SER 3 1HB SER 3 12.827 10.423 -10.705 12 HB3 SER 3 2HB SER 3 11.622 11.191 -11.739 13 HG SER 3 HG SER 3 14.051 11.474 -12.131 14 H GLY 4 H GLY 4 12.264 10.411 -8.029 15 HA2 GLY 4 1HA GLY 4 14.868 10.979 -7.205 16 HA3 GLY 4 2HA GLY 4 13.790 11.936 -6.200 17 H SER 5 H SER 5 15.514 9.886 -5.261 18 HA SER 5 HA SER 5 13.702 8.418 -3.657 19 HB2 SER 5 1HB SER 5 14.126 6.163 -4.447 20 HB3 SER 5 2HB SER 5 13.481 7.124 -5.777 21 HG SER 5 HG SER 5 15.616 5.721 -5.878 22 H SER 6 H SER 6 14.757 8.531 -1.797 23 HA SER 6 HA SER 6 17.621 7.841 -1.764 24 HB2 SER 6 1HB SER 6 17.193 10.296 -1.430 25 HB3 SER 6 2HB SER 6 16.307 9.885 0.038 26 HG SER 6 HG SER 6 18.876 8.843 -0.252 27 H GLY 7 H GLY 7 17.246 5.717 -1.139 28 HA2 GLY 7 1HA GLY 7 17.297 4.166 0.612 29 HA3 GLY 7 2HA GLY 7 16.637 5.391 1.686 30 H MET 8 H MET 8 15.979 2.525 0.225 31 HA MET 8 HA MET 8 13.299 2.817 -0.602 32 HB2 MET 8 1HB MET 8 14.589 0.884 -1.267 33 HB3 MET 8 2HB MET 8 14.801 0.399 0.410 34 HG2 MET 8 1HG MET 8 13.047 -0.810 -1.030 35 HG3 MET 8 2HG MET 8 12.627 -0.338 0.615 36 HE1 MET 8 3HE MET 8 10.410 -1.136 -0.548 37 HE2 MET 8 1HE MET 8 9.817 0.136 0.521 38 HE3 MET 8 2HE MET 8 9.254 0.054 -1.149 39 H GLU 9 H GLU 9 12.478 4.192 1.121 40 HA GLU 9 HA GLU 9 12.281 3.369 3.802 41 HB2 GLU 9 1HB GLU 9 10.444 5.198 2.246 42 HB3 GLU 9 2HB GLU 9 10.515 5.070 3.997 43 HG2 GLU 9 1HG GLU 9 12.454 6.306 2.107 44 HG3 GLU 9 2HG GLU 9 11.780 6.943 3.606 45 HA PRO 10 HA PRO 10 9.138 0.304 3.790 46 HB2 PRO 10 2HB PRO 10 9.613 -0.005 6.016 47 HB3 PRO 10 1HB PRO 10 8.019 0.729 6.227 48 HG2 PRO 10 1HG PRO 10 8.906 2.823 6.695 49 HG3 PRO 10 2HG PRO 10 10.172 1.791 7.384 50 HD2 PRO 10 1HD PRO 10 10.690 3.681 5.516 51 HD3 PRO 10 2HD PRO 10 11.613 2.168 5.625 52 H VAL 11 H VAL 11 7.059 0.075 3.144 53 HA VAL 11 HA VAL 11 5.575 2.254 2.240 54 HB VAL 11 HB VAL 11 4.524 -0.493 2.934 55 HG11 VAL 11 1HG1 VAL 11 2.782 0.002 1.285 56 HG12 VAL 11 2HG1 VAL 11 2.749 1.148 2.626 57 HG13 VAL 11 3HG1 VAL 11 3.443 1.623 1.076 58 HG21 VAL 11 3HG2 VAL 11 5.742 -1.261 1.242 59 HG22 VAL 11 1HG2 VAL 11 4.883 -0.170 0.155 60 HG23 VAL 11 2HG2 VAL 11 6.377 0.354 0.931 61 H GLU 12 H GLU 12 5.847 0.938 5.388 62 HA GLU 12 HA GLU 12 3.310 1.793 6.388 63 HB2 GLU 12 1HB GLU 12 3.974 0.927 8.406 64 HB3 GLU 12 2HB GLU 12 5.043 0.038 7.329 65 HG2 GLU 12 1HG GLU 12 6.865 1.516 7.825 66 HG3 GLU 12 2HG GLU 12 5.810 2.564 8.772 67 H THR 13 H THR 13 6.471 3.240 6.063 68 HA THR 13 HA THR 13 5.752 5.536 7.693 69 HB THR 13 HB THR 13 8.013 6.374 7.141 70 HG1 THR 13 1HG THR 13 8.056 5.233 5.041 71 HG21 THR 13 3HG2 THR 13 7.951 5.090 9.105 72 HG22 THR 13 1HG2 THR 13 9.278 4.396 8.175 73 HG23 THR 13 2HG2 THR 13 7.713 3.584 8.219 74 H TRP 14 H TRP 14 5.859 4.610 4.356 75 HA TRP 14 HA TRP 14 6.152 6.895 2.939 76 HB2 TRP 14 1HB TRP 14 4.135 4.683 2.569 77 HB3 TRP 14 2HB TRP 14 4.323 5.988 1.401 78 HD1 TRP 14 HD TRP 14 7.650 5.202 2.732 79 HE1 TRP 14 1HE TRP 14 8.953 3.685 1.112 80 HE3 TRP 14 3HE TRP 14 3.801 3.769 -0.313 81 HZ2 TRP 14 2HZ TRP 14 8.421 2.092 -1.157 82 HZ3 TRP 14 3HZ TRP 14 4.282 2.247 -2.185 83 HH2 TRP 14 HH TRP 14 6.545 1.427 -2.597 84 H THR 15 H THR 15 4.555 8.384 1.973 85 HA THR 15 HA THR 15 2.716 9.340 4.041 86 HB THR 15 HB THR 15 2.613 11.341 2.312 87 HG1 THR 15 1HG THR 15 5.265 10.531 1.831 88 HG21 THR 15 3HG2 THR 15 5.220 11.290 3.689 89 HG22 THR 15 1HG2 THR 15 3.816 10.956 4.702 90 HG23 THR 15 2HG2 THR 15 3.907 12.463 3.790 91 HA PRO 16 HA PRO 16 -0.955 8.348 1.850 92 HB2 PRO 16 2HB PRO 16 -2.127 9.316 3.573 93 HB3 PRO 16 1HB PRO 16 -2.516 10.515 2.334 94 HG2 PRO 16 1HG PRO 16 -0.893 11.998 3.079 95 HG3 PRO 16 2HG PRO 16 -1.351 11.243 4.617 96 HD2 PRO 16 1HD PRO 16 1.203 11.288 3.720 97 HD3 PRO 16 2HD PRO 16 0.557 9.953 4.697 98 H GLY 17 H GLY 17 1.131 10.641 0.740 99 HA2 GLY 17 1HA GLY 17 -0.614 11.479 -1.479 100 HA3 GLY 17 2HA GLY 17 0.884 12.270 -1.009 101 H LYS 18 H LYS 18 2.030 9.426 -0.727 102 HA LYS 18 HA LYS 18 2.923 9.265 -3.496 103 HB2 LYS 18 1HB LYS 18 3.911 7.596 -1.189 104 HB3 LYS 18 2HB LYS 18 4.736 7.953 -2.701 105 HG2 LYS 18 1HG LYS 18 5.147 10.193 -2.053 106 HG3 LYS 18 2HG LYS 18 4.056 10.063 -0.671 107 HD2 LYS 18 1HD LYS 18 6.367 9.949 0.067 108 HD3 LYS 18 2HD LYS 18 5.564 8.401 0.338 109 HE2 LYS 18 1HE LYS 18 6.588 7.490 -1.663 110 HE3 LYS 18 2HE LYS 18 7.327 9.050 -2.023 111 HZ1 LYS 18 3HZ LYS 18 8.794 8.850 -0.255 112 HZ2 LYS 18 1HZ LYS 18 8.741 7.277 -0.877 113 HZ3 LYS 18 2HZ LYS 18 7.875 7.662 0.524 114 H VAL 19 H VAL 19 1.266 7.314 -1.071 115 HA VAL 19 HA VAL 19 1.177 4.841 -2.210 116 HB VAL 19 HB VAL 19 -1.151 6.269 -0.917 117 HG11 VAL 19 1HG1 VAL 19 -2.246 4.250 -0.700 118 HG12 VAL 19 2HG1 VAL 19 -1.517 4.087 -2.298 119 HG13 VAL 19 3HG1 VAL 19 -0.771 3.306 -0.904 120 HG21 VAL 19 3HG2 VAL 19 0.017 6.131 0.968 121 HG22 VAL 19 1HG2 VAL 19 0.029 4.375 0.804 122 HG23 VAL 19 2HG2 VAL 19 1.344 5.334 0.124 123 H ALA 20 H ALA 20 -1.121 7.478 -2.905 124 HA ALA 20 HA ALA 20 -2.789 6.385 -4.707 125 HB1 ALA 20 3HB ALA 20 -2.768 8.599 -5.913 126 HB2 ALA 20 1HB ALA 20 -3.041 8.677 -4.172 127 HB3 ALA 20 2HB ALA 20 -1.456 9.079 -4.836 128 H THR 21 H THR 21 0.608 6.942 -5.179 129 HA THR 21 HA THR 21 0.569 6.598 -8.028 130 HB THR 21 HB THR 21 2.888 6.449 -6.091 131 HG1 THR 21 1HG THR 21 1.696 8.507 -6.329 132 HG21 THR 21 3HG2 THR 21 3.006 6.913 -9.065 133 HG22 THR 21 1HG2 THR 21 3.188 5.315 -8.340 134 HG23 THR 21 2HG2 THR 21 4.342 6.594 -7.958 135 H TRP 22 H TRP 22 1.526 4.565 -5.272 136 HA TRP 22 HA TRP 22 2.245 2.311 -6.815 137 HB2 TRP 22 1HB TRP 22 2.969 2.646 -4.477 138 HB3 TRP 22 2HB TRP 22 1.307 2.415 -3.940 139 HD1 TRP 22 HD TRP 22 4.226 0.448 -5.506 140 HE1 TRP 22 1HE TRP 22 3.875 -2.052 -5.005 141 HE3 TRP 22 3HE TRP 22 -0.398 0.696 -3.340 142 HZ2 TRP 22 2HZ TRP 22 1.900 -3.701 -3.845 143 HZ3 TRP 22 3HZ TRP 22 -1.449 -1.388 -2.562 144 HH2 TRP 22 HH TRP 22 -0.323 -3.540 -2.811 145 H LEU 23 H LEU 23 -0.781 3.301 -5.288 146 HA LEU 23 HA LEU 23 -2.212 0.920 -5.754 147 HB2 LEU 23 1HB LEU 23 -2.977 3.761 -5.232 148 HB3 LEU 23 2HB LEU 23 -4.214 2.588 -5.681 149 HG LEU 23 HG LEU 23 -2.375 2.213 -3.326 150 HD11 LEU 23 1HD1 LEU 23 -5.067 2.875 -2.601 151 HD12 LEU 23 2HD1 LEU 23 -4.375 4.163 -3.587 152 HD13 LEU 23 3HD1 LEU 23 -3.556 3.644 -2.114 153 HD21 LEU 23 3HD2 LEU 23 -4.079 0.619 -2.617 154 HD22 LEU 23 1HD2 LEU 23 -3.442 0.196 -4.206 155 HD23 LEU 23 2HD2 LEU 23 -5.022 0.967 -4.068 156 H ARG 24 H ARG 24 -1.747 3.830 -7.697 157 HA ARG 24 HA ARG 24 -3.583 3.102 -9.743 158 HB2 ARG 24 1HB ARG 24 -2.529 5.421 -9.172 159 HB3 ARG 24 2HB ARG 24 -1.225 4.889 -10.225 160 HG2 ARG 24 1HG ARG 24 -4.086 4.860 -11.120 161 HG3 ARG 24 2HG ARG 24 -3.076 6.302 -11.253 162 HD2 ARG 24 1HD ARG 24 -1.407 4.585 -12.376 163 HD3 ARG 24 2HD ARG 24 -2.904 3.713 -12.705 164 HE ARG 24 HE ARG 24 -3.308 5.219 -14.357 165 HH11 ARG 24 2HH1 ARG 24 -1.255 6.730 -11.986 166 HH12 ARG 24 1HH1 ARG 24 -1.103 8.211 -12.871 167 HH21 ARG 24 1HH2 ARG 24 -2.162 8.458 -14.887 168 HH22 ARG 24 2HH2 ARG 24 -3.115 7.165 -15.532 169 H GLY 25 H GLY 25 -0.201 2.442 -9.143 170 HA2 GLY 25 1HA GLY 25 0.322 1.442 -11.792 171 HA3 GLY 25 2HA GLY 25 1.388 1.321 -10.400 172 H LEU 26 H LEU 26 -0.949 0.123 -8.867 173 HA LEU 26 HA LEU 26 -0.257 -2.520 -8.938 174 HB2 LEU 26 1HB LEU 26 -2.699 -1.055 -8.110 175 HB3 LEU 26 2HB LEU 26 -2.813 -2.808 -8.248 176 HG LEU 26 HG LEU 26 -0.751 -1.416 -6.549 177 HD11 LEU 26 1HD1 LEU 26 -3.321 -2.637 -5.577 178 HD12 LEU 26 2HD1 LEU 26 -3.131 -0.911 -5.883 179 HD13 LEU 26 3HD1 LEU 26 -2.139 -1.703 -4.659 180 HD21 LEU 26 3HD2 LEU 26 -0.529 -3.859 -7.392 181 HD22 LEU 26 1HD2 LEU 26 -1.789 -4.200 -6.205 182 HD23 LEU 26 2HD2 LEU 26 -0.254 -3.505 -5.685 183 H ASP 27 H ASP 27 -3.362 -1.436 -10.305 184 HA ASP 27 HA ASP 27 -2.881 -3.064 -12.680 185 HB2 ASP 27 1HB ASP 27 -4.167 -4.319 -10.757 186 HB3 ASP 27 2HB ASP 27 -5.532 -3.360 -11.323 187 H ASP 28 H ASP 28 -4.771 -2.782 -14.263 188 HA ASP 28 HA ASP 28 -5.214 0.060 -14.553 189 HB2 ASP 28 1HB ASP 28 -6.446 -0.836 -16.691 190 HB3 ASP 28 2HB ASP 28 -4.687 -0.868 -16.605 191 H SER 29 H SER 29 -6.945 -2.652 -13.381 192 HA SER 29 HA SER 29 -9.569 -1.522 -13.805 193 HB2 SER 29 1HB SER 29 -8.622 -3.940 -12.253 194 HB3 SER 29 2HB SER 29 -10.316 -3.471 -12.399 195 HG SER 29 HG SER 29 -9.552 -3.472 -14.824 196 H LEU 30 H LEU 30 -7.089 -1.164 -11.528 197 HA LEU 30 HA LEU 30 -8.942 -0.234 -9.450 198 HB2 LEU 30 1HB LEU 30 -5.965 -0.556 -9.190 199 HB3 LEU 30 2HB LEU 30 -7.158 -0.412 -7.902 200 HG LEU 30 HG LEU 30 -6.995 -2.775 -9.765 201 HD11 LEU 30 1HD1 LEU 30 -5.582 -2.186 -7.205 202 HD12 LEU 30 2HD1 LEU 30 -4.989 -2.984 -8.661 203 HD13 LEU 30 3HD1 LEU 30 -6.078 -3.839 -7.569 204 HD21 LEU 30 3HD2 LEU 30 -8.228 -3.792 -7.749 205 HD22 LEU 30 1HD2 LEU 30 -9.130 -2.737 -8.838 206 HD23 LEU 30 2HD2 LEU 30 -8.553 -2.120 -7.290 207 H GLN 31 H GLN 31 -6.484 0.815 -11.677 208 HA GLN 31 HA GLN 31 -5.750 3.262 -10.612 209 HB2 GLN 31 1HB GLN 31 -4.914 3.801 -12.710 210 HB3 GLN 31 2HB GLN 31 -4.947 2.043 -12.759 211 HG2 GLN 31 1HG GLN 31 -7.094 2.146 -13.963 212 HG3 GLN 31 2HG GLN 31 -6.977 3.905 -13.972 213 HE21 GLN 31 2HE2 GLN 31 -5.752 2.938 -17.224 214 HE22 GLN 31 1HE2 GLN 31 -7.236 3.054 -16.348 215 H ASP 32 H ASP 32 -8.786 2.273 -11.838 216 HA ASP 32 HA ASP 32 -9.809 4.778 -12.663 217 HB2 ASP 32 1HB ASP 32 -10.754 2.418 -13.101 218 HB3 ASP 32 2HB ASP 32 -11.499 2.569 -11.512 219 H TYR 33 H TYR 33 -10.205 2.971 -9.618 220 HA TYR 33 HA TYR 33 -11.795 4.678 -8.205 221 HB2 TYR 33 1HB TYR 33 -9.480 2.971 -7.322 222 HB3 TYR 33 2HB TYR 33 -10.409 3.917 -6.165 223 HD1 TYR 33 2HD TYR 33 -12.927 3.505 -6.043 224 HD2 TYR 33 1HD TYR 33 -10.241 0.873 -8.034 225 HE1 TYR 33 2HE TYR 33 -14.600 1.708 -5.912 226 HE2 TYR 33 1HE TYR 33 -11.908 -0.931 -7.909 227 HH TYR 33 HH TYR 33 -13.857 -1.576 -6.956 228 HA PRO 34 HA PRO 34 -9.596 8.481 -7.834 229 HB2 PRO 34 2HB PRO 34 -11.633 9.427 -7.347 230 HB3 PRO 34 1HB PRO 34 -10.949 9.516 -5.720 231 HG2 PRO 34 1HG PRO 34 -12.066 7.609 -5.008 232 HG3 PRO 34 2HG PRO 34 -13.250 8.249 -6.162 233 HD2 PRO 34 1HD PRO 34 -12.251 5.738 -6.341 234 HD3 PRO 34 2HD PRO 34 -12.717 6.684 -7.769 235 H PHE 35 H PHE 35 -7.638 7.279 -7.148 236 HA PHE 35 HA PHE 35 -7.129 6.761 -4.402 237 HB2 PHE 35 1HB PHE 35 -5.275 7.075 -6.767 238 HB3 PHE 35 2HB PHE 35 -4.732 6.602 -5.161 239 HD1 PHE 35 2HD PHE 35 -6.861 4.772 -4.320 240 HD2 PHE 35 1HD PHE 35 -4.942 5.209 -8.094 241 HE1 PHE 35 2HE PHE 35 -7.361 2.420 -4.843 242 HE2 PHE 35 1HE PHE 35 -5.440 2.859 -8.623 243 HZ PHE 35 HZ PHE 35 -6.650 1.461 -6.997 244 H GLU 36 H GLU 36 -6.229 9.418 -6.578 245 HA GLU 36 HA GLU 36 -4.667 10.886 -4.798 246 HB2 GLU 36 1HB GLU 36 -5.269 11.209 -7.366 247 HB3 GLU 36 2HB GLU 36 -6.436 12.344 -6.702 248 HG2 GLU 36 1HG GLU 36 -4.320 13.201 -5.379 249 HG3 GLU 36 2HG GLU 36 -3.473 12.471 -6.742 250 H ASP 37 H ASP 37 -7.962 10.200 -4.651 251 HA ASP 37 HA ASP 37 -8.423 12.452 -2.807 252 HB2 ASP 37 1HB ASP 37 -10.170 11.141 -4.829 253 HB3 ASP 37 2HB ASP 37 -10.929 11.682 -3.334 254 H TRP 38 H TRP 38 -7.266 9.717 -2.350 255 HA TRP 38 HA TRP 38 -9.288 8.522 -0.609 256 HB2 TRP 38 1HB TRP 38 -6.764 7.577 -1.869 257 HB3 TRP 38 2HB TRP 38 -7.214 6.857 -0.325 258 HD1 TRP 38 HD TRP 38 -10.055 7.799 -2.640 259 HE1 TRP 38 1HE TRP 38 -11.118 5.657 -3.593 260 HE3 TRP 38 3HE TRP 38 -6.600 4.393 -1.028 261 HZ2 TRP 38 2HZ TRP 38 -10.565 2.889 -3.652 262 HZ3 TRP 38 3HZ TRP 38 -6.941 2.018 -1.574 263 HH2 TRP 38 HH TRP 38 -8.884 1.284 -2.859 264 H GLN 39 H GLN 39 -6.131 10.071 -0.491 265 HA GLN 39 HA GLN 39 -4.868 10.865 1.228 266 HB2 GLN 39 1HB GLN 39 -7.611 11.087 2.471 267 HB3 GLN 39 2HB GLN 39 -6.158 11.780 3.179 268 HG2 GLN 39 1HG GLN 39 -7.045 12.458 0.397 269 HG3 GLN 39 2HG GLN 39 -7.652 13.316 1.812 270 HE21 GLN 39 2HE2 GLN 39 -4.529 14.834 0.226 271 HE22 GLN 39 1HE2 GLN 39 -5.919 14.109 -0.501 272 H LEU 40 H LEU 40 -4.882 8.111 1.067 273 HA LEU 40 HA LEU 40 -5.107 7.183 3.842 274 HB2 LEU 40 1HB LEU 40 -6.229 5.886 2.049 275 HB3 LEU 40 2HB LEU 40 -4.649 5.578 1.331 276 HG LEU 40 HG LEU 40 -4.037 4.442 3.518 277 HD11 LEU 40 1HD1 LEU 40 -5.466 4.485 5.208 278 HD12 LEU 40 2HD1 LEU 40 -6.676 3.667 4.220 279 HD13 LEU 40 3HD1 LEU 40 -6.595 5.429 4.236 280 HD21 LEU 40 3HD2 LEU 40 -6.246 3.270 1.831 281 HD22 LEU 40 1HD2 LEU 40 -5.168 2.361 2.890 282 HD23 LEU 40 2HD2 LEU 40 -4.518 3.201 1.482 283 HA PRO 41 HA PRO 41 -0.667 7.723 4.021 284 HB2 PRO 41 2HB PRO 41 -1.003 8.620 6.110 285 HB3 PRO 41 1HB PRO 41 -0.441 7.029 6.636 286 HG2 PRO 41 1HG PRO 41 -2.596 6.252 7.014 287 HG3 PRO 41 2HG PRO 41 -2.809 7.965 7.420 288 HD2 PRO 41 1HD PRO 41 -4.327 6.708 5.563 289 HD3 PRO 41 2HD PRO 41 -3.900 8.427 5.443 290 H GLY 42 H GLY 42 1.163 6.355 4.344 291 HA2 GLY 42 1HA GLY 42 0.867 3.732 3.419 292 HA3 GLY 42 2HA GLY 42 2.315 4.378 4.177 293 H LYS 43 H LYS 43 1.694 4.813 6.716 294 HA LYS 43 HA LYS 43 1.930 2.466 8.032 295 HB2 LYS 43 1HB LYS 43 0.780 3.635 9.996 296 HB3 LYS 43 2HB LYS 43 2.193 4.424 9.307 297 HG2 LYS 43 1HG LYS 43 0.893 6.061 8.238 298 HG3 LYS 43 2HG LYS 43 -0.597 5.144 8.471 299 HD2 LYS 43 1HD LYS 43 -0.592 5.575 10.812 300 HD3 LYS 43 2HD LYS 43 1.046 6.231 10.750 301 HE2 LYS 43 1HE LYS 43 -1.085 7.504 9.100 302 HE3 LYS 43 2HE LYS 43 -1.052 7.815 10.835 303 HZ1 LYS 43 3HZ LYS 43 1.481 8.249 10.272 304 HZ2 LYS 43 1HZ LYS 43 0.311 9.466 10.148 305 HZ3 LYS 43 2HZ LYS 43 0.826 8.643 8.763 306 H ASN 44 H ASN 44 -1.094 3.943 6.980 307 HA ASN 44 HA ASN 44 -2.697 1.857 8.181 308 HB2 ASN 44 1HB ASN 44 -3.329 4.261 6.478 309 HB3 ASN 44 2HB ASN 44 -4.556 3.061 6.873 310 HD21 ASN 44 2HD2 ASN 44 -4.893 5.679 9.372 311 HD22 ASN 44 1HD2 ASN 44 -5.141 5.467 7.675 312 H LEU 45 H LEU 45 -1.454 2.704 5.012 313 HA LEU 45 HA LEU 45 -2.966 1.150 3.335 314 HB2 LEU 45 1HB LEU 45 -1.102 2.664 2.680 315 HB3 LEU 45 2HB LEU 45 0.033 1.421 3.201 316 HG LEU 45 HG LEU 45 -1.153 -0.079 1.469 317 HD11 LEU 45 1HD1 LEU 45 -2.011 2.652 0.525 318 HD12 LEU 45 2HD1 LEU 45 -3.063 1.330 1.030 319 HD13 LEU 45 3HD1 LEU 45 -2.093 1.174 -0.434 320 HD21 LEU 45 3HD2 LEU 45 0.865 0.248 0.592 321 HD22 LEU 45 1HD2 LEU 45 0.954 1.885 1.245 322 HD23 LEU 45 2HD2 LEU 45 0.174 1.598 -0.311 323 H LEU 46 H LEU 46 -0.331 0.124 5.446 324 HA LEU 46 HA LEU 46 -0.479 -2.615 4.527 325 HB2 LEU 46 1HB LEU 46 1.073 -1.325 6.765 326 HB3 LEU 46 2HB LEU 46 1.205 -3.022 6.309 327 HG LEU 46 HG LEU 46 3.019 -2.197 5.213 328 HD11 LEU 46 1HD1 LEU 46 2.588 -2.080 2.901 329 HD12 LEU 46 2HD1 LEU 46 0.974 -1.418 3.153 330 HD13 LEU 46 3HD1 LEU 46 1.313 -3.098 3.571 331 HD21 LEU 46 3HD2 LEU 46 1.832 0.326 4.225 332 HD22 LEU 46 1HD2 LEU 46 3.463 -0.013 4.803 333 HD23 LEU 46 2HD2 LEU 46 2.148 0.217 5.957 334 H GLN 47 H GLN 47 -2.057 -0.682 6.827 335 HA GLN 47 HA GLN 47 -2.838 -2.994 8.452 336 HB2 GLN 47 1HB GLN 47 -3.184 -0.026 8.882 337 HB3 GLN 47 2HB GLN 47 -3.875 -1.249 9.939 338 HG2 GLN 47 1HG GLN 47 -1.385 -2.092 10.032 339 HG3 GLN 47 2HG GLN 47 -1.046 -0.421 9.586 340 HE21 GLN 47 2HE2 GLN 47 -0.933 0.023 13.070 341 HE22 GLN 47 1HE2 GLN 47 0.000 -0.247 11.642 342 H LEU 48 H LEU 48 -3.832 -1.606 5.702 343 HA LEU 48 HA LEU 48 -6.528 -1.035 5.955 344 HB2 LEU 48 1HB LEU 48 -4.796 -2.032 3.763 345 HB3 LEU 48 2HB LEU 48 -6.540 -2.153 3.539 346 HG LEU 48 HG LEU 48 -5.024 0.397 4.090 347 HD11 LEU 48 1HD1 LEU 48 -6.192 0.611 1.621 348 HD12 LEU 48 2HD1 LEU 48 -5.624 -1.059 1.637 349 HD13 LEU 48 3HD1 LEU 48 -4.490 0.260 1.928 350 HD21 LEU 48 3HD2 LEU 48 -7.692 0.615 2.981 351 HD22 LEU 48 1HD2 LEU 48 -6.981 1.419 4.380 352 HD23 LEU 48 2HD2 LEU 48 -7.691 -0.186 4.553 353 H CYS 49 H CYS 49 -8.241 -2.523 4.769 354 HA CYS 49 HA CYS 49 -7.997 -5.331 5.329 355 HB2 CYS 49 1HB CYS 49 -9.469 -3.515 7.170 356 HB3 CYS 49 2HB CYS 49 -10.223 -5.058 6.787 357 HG CYS 49 HG CYS 49 -8.491 -4.751 9.249 358 HA PRO 50 HA PRO 50 -11.057 -5.664 2.206 359 HB2 PRO 50 2HB PRO 50 -10.828 -7.945 2.351 360 HB3 PRO 50 1HB PRO 50 -12.473 -7.843 2.990 361 HG2 PRO 50 1HG PRO 50 -11.762 -7.989 5.195 362 HG3 PRO 50 2HG PRO 50 -10.530 -8.992 4.406 363 HD2 PRO 50 1HD PRO 50 -9.901 -6.860 5.951 364 HD3 PRO 50 2HD PRO 50 -8.917 -7.353 4.559 365 H GLN 51 H GLN 51 -12.080 -5.335 5.503 366 HA GLN 51 HA GLN 51 -14.855 -4.860 4.775 367 HB2 GLN 51 1HB GLN 51 -14.205 -6.101 6.860 368 HB3 GLN 51 2HB GLN 51 -13.557 -4.591 7.488 369 HG2 GLN 51 1HG GLN 51 -15.711 -4.869 8.420 370 HG3 GLN 51 2HG GLN 51 -15.833 -3.597 7.205 371 HE21 GLN 51 2HE2 GLN 51 -18.755 -5.403 6.378 372 HE22 GLN 51 1HE2 GLN 51 -18.131 -4.111 7.341 373 H SER 52 H SER 52 -12.095 -3.071 6.089 374 HA SER 52 HA SER 52 -13.436 -0.600 6.374 375 HB2 SER 52 1HB SER 52 -10.550 -1.418 6.237 376 HB3 SER 52 2HB SER 52 -10.984 0.291 6.220 377 HG SER 52 HG SER 52 -10.598 -0.588 8.343 378 H LEU 53 H LEU 53 -11.524 -2.000 3.749 379 HA LEU 53 HA LEU 53 -11.227 0.123 2.055 380 HB2 LEU 53 1HB LEU 53 -11.626 -2.788 1.653 381 HB3 LEU 53 2HB LEU 53 -11.770 -1.747 0.238 382 HG LEU 53 HG LEU 53 -9.348 -1.483 1.952 383 HD11 LEU 53 1HD1 LEU 53 -8.323 -3.391 1.256 384 HD12 LEU 53 2HD1 LEU 53 -9.286 -3.508 -0.216 385 HD13 LEU 53 3HD1 LEU 53 -9.984 -3.979 1.333 386 HD21 LEU 53 3HD2 LEU 53 -8.735 -0.197 0.253 387 HD22 LEU 53 1HD2 LEU 53 -10.265 -0.533 -0.558 388 HD23 LEU 53 2HD2 LEU 53 -8.867 -1.570 -0.847 389 H GLU 54 H GLU 54 -14.135 -1.792 2.599 390 HA GLU 54 HA GLU 54 -15.754 -0.995 0.540 391 HB2 GLU 54 1HB GLU 54 -16.604 -1.253 3.430 392 HB3 GLU 54 2HB GLU 54 -17.655 -1.363 2.025 393 HG2 GLU 54 1HG GLU 54 -16.444 -3.365 1.292 394 HG3 GLU 54 2HG GLU 54 -15.432 -3.265 2.731 395 H ALA 55 H ALA 55 -14.829 0.836 3.389 396 HA ALA 55 HA ALA 55 -16.662 2.932 3.221 397 HB1 ALA 55 3HB ALA 55 -13.831 2.871 4.241 398 HB2 ALA 55 1HB ALA 55 -14.897 4.266 4.413 399 HB3 ALA 55 2HB ALA 55 -15.323 2.731 5.172 400 H LEU 56 H LEU 56 -13.635 2.390 1.509 401 HA LEU 56 HA LEU 56 -13.742 4.984 0.221 402 HB2 LEU 56 1HB LEU 56 -11.903 2.685 -0.402 403 HB3 LEU 56 2HB LEU 56 -11.677 4.383 -0.814 404 HG LEU 56 HG LEU 56 -11.721 3.386 2.026 405 HD11 LEU 56 1HD1 LEU 56 -9.914 2.231 0.986 406 HD12 LEU 56 2HD1 LEU 56 -9.233 3.580 1.894 407 HD13 LEU 56 3HD1 LEU 56 -9.392 3.689 0.141 408 HD21 LEU 56 3HD2 LEU 56 -10.166 5.596 1.954 409 HD22 LEU 56 1HD2 LEU 56 -11.894 5.612 2.306 410 HD23 LEU 56 2HD2 LEU 56 -11.323 5.969 0.675 411 H ALA 57 H ALA 57 -15.856 2.889 -0.180 412 HA ALA 57 HA ALA 57 -17.243 2.263 -1.876 413 HB1 ALA 57 3HB ALA 57 -16.198 4.600 -2.756 414 HB2 ALA 57 1HB ALA 57 -15.697 3.506 -4.045 415 HB3 ALA 57 2HB ALA 57 -17.405 3.659 -3.632 416 H VAL 58 H VAL 58 -14.957 0.664 -1.105 417 HA VAL 58 HA VAL 58 -14.520 -0.802 -3.627 418 HB VAL 58 HB VAL 58 -12.628 -0.626 -1.277 419 HG11 VAL 58 1HG1 VAL 58 -11.308 -1.691 -3.481 420 HG12 VAL 58 2HG1 VAL 58 -11.821 -2.559 -2.033 421 HG13 VAL 58 3HG1 VAL 58 -12.867 -2.514 -3.452 422 HG21 VAL 58 3HG2 VAL 58 -11.167 0.612 -2.761 423 HG22 VAL 58 1HG2 VAL 58 -12.339 0.473 -4.072 424 HG23 VAL 58 2HG2 VAL 58 -12.726 1.428 -2.641 425 H ARG 59 H ARG 59 -16.416 -2.040 -3.189 426 HA ARG 59 HA ARG 59 -16.239 -3.844 -0.878 427 HB2 ARG 59 1HB ARG 59 -18.559 -3.205 -2.709 428 HB3 ARG 59 2HB ARG 59 -18.617 -4.370 -1.393 429 HG2 ARG 59 1HG ARG 59 -17.803 -2.302 0.021 430 HG3 ARG 59 2HG ARG 59 -18.551 -1.404 -1.302 431 HD2 ARG 59 1HD ARG 59 -20.637 -2.652 -0.947 432 HD3 ARG 59 2HD ARG 59 -19.884 -3.511 0.396 433 HE ARG 59 HE ARG 59 -19.696 -0.734 0.825 434 HH11 ARG 59 2HH1 ARG 59 -22.032 -3.315 0.793 435 HH12 ARG 59 1HH1 ARG 59 -23.083 -2.554 1.941 436 HH21 ARG 59 1HH2 ARG 59 -22.536 -0.509 2.818 437 HH22 ARG 59 2HH2 ARG 59 -21.071 0.278 2.337 438 H SER 60 H SER 60 -16.454 -3.769 -4.384 439 HA SER 60 HA SER 60 -16.926 -6.412 -4.983 440 HB2 SER 60 1HB SER 60 -15.021 -4.528 -6.396 441 HB3 SER 60 2HB SER 60 -15.672 -6.019 -7.078 442 HG SER 60 HG SER 60 -17.480 -4.145 -6.073 443 H LEU 61 H LEU 61 -15.886 -8.268 -4.671 444 HA LEU 61 HA LEU 61 -13.551 -8.441 -3.121 445 HB2 LEU 61 1HB LEU 61 -15.461 -10.171 -3.680 446 HB3 LEU 61 2HB LEU 61 -14.326 -10.674 -4.931 447 HG LEU 61 HG LEU 61 -14.101 -12.090 -2.988 448 HD11 LEU 61 1HD1 LEU 61 -11.701 -11.725 -2.499 449 HD12 LEU 61 2HD1 LEU 61 -11.799 -10.176 -3.334 450 HD13 LEU 61 3HD1 LEU 61 -12.080 -11.674 -4.221 451 HD21 LEU 61 3HD2 LEU 61 -13.606 -11.312 -0.818 452 HD22 LEU 61 1HD2 LEU 61 -14.942 -10.313 -1.390 453 HD23 LEU 61 2HD2 LEU 61 -13.299 -9.672 -1.391 454 H GLY 62 H GLY 62 -13.969 -9.389 -6.542 455 HA2 GLY 62 1HA GLY 62 -11.494 -9.986 -7.340 456 HA3 GLY 62 2HA GLY 62 -12.536 -8.976 -8.330 457 H HIS 63 H HIS 63 -12.598 -6.626 -6.948 458 HA HIS 63 HA HIS 63 -10.138 -5.446 -7.673 459 HB2 HIS 63 1HB HIS 63 -12.529 -4.458 -6.134 460 HB3 HIS 63 2HB HIS 63 -11.105 -3.447 -6.364 461 HD1 HIS 63 1HD HIS 63 -14.180 -3.323 -7.628 462 HD2 HIS 63 2HD HIS 63 -10.566 -4.070 -9.537 463 HE1 HIS 63 1HE HIS 63 -14.561 -2.732 -10.042 464 HE2 HIS 63 2HE HIS 63 -12.387 -3.273 -11.193 465 H GLN 64 H GLN 64 -11.562 -6.170 -4.497 466 HA GLN 64 HA GLN 64 -9.535 -5.136 -2.900 467 HB2 GLN 64 1HB GLN 64 -11.541 -7.331 -2.515 468 HB3 GLN 64 2HB GLN 64 -10.319 -7.031 -1.286 469 HG2 GLN 64 1HG GLN 64 -11.135 -4.880 -0.840 470 HG3 GLN 64 2HG GLN 64 -12.095 -4.849 -2.319 471 HE21 GLN 64 2HE2 GLN 64 -14.768 -5.492 -0.150 472 HE22 GLN 64 1HE2 GLN 64 -13.919 -4.295 -1.061 473 H GLU 65 H GLU 65 -9.969 -8.548 -3.859 474 HA GLU 65 HA GLU 65 -7.681 -9.621 -2.817 475 HB2 GLU 65 1HB GLU 65 -9.348 -10.256 -5.197 476 HB3 GLU 65 2HB GLU 65 -7.781 -11.044 -5.077 477 HG2 GLU 65 1HG GLU 65 -9.738 -11.088 -2.810 478 HG3 GLU 65 2HG GLU 65 -9.809 -12.260 -4.125 479 H LEU 66 H LEU 66 -8.022 -7.926 -5.909 480 HA LEU 66 HA LEU 66 -5.475 -8.320 -6.930 481 HB2 LEU 66 1HB LEU 66 -7.563 -6.237 -7.245 482 HB3 LEU 66 2HB LEU 66 -5.946 -5.863 -7.839 483 HG LEU 66 HG LEU 66 -7.441 -8.332 -8.686 484 HD11 LEU 66 1HD1 LEU 66 -7.951 -5.569 -9.397 485 HD12 LEU 66 2HD1 LEU 66 -8.876 -7.023 -9.770 486 HD13 LEU 66 3HD1 LEU 66 -7.522 -6.552 -10.797 487 HD21 LEU 66 3HD2 LEU 66 -5.690 -8.734 -10.011 488 HD22 LEU 66 1HD2 LEU 66 -4.821 -7.566 -9.015 489 HD23 LEU 66 2HD2 LEU 66 -5.579 -7.049 -10.522 490 H ILE 67 H ILE 67 -6.628 -5.734 -4.783 491 HA ILE 67 HA ILE 67 -4.052 -4.507 -4.561 492 HB ILE 67 HB ILE 67 -6.458 -4.161 -2.768 493 HG12 ILE 67 1HG1 ILE 67 -5.620 -2.392 -5.065 494 HG13 ILE 67 2HG1 ILE 67 -6.787 -3.696 -5.254 495 HG21 ILE 67 1HG2 ILE 67 -5.422 -2.364 -1.807 496 HG22 ILE 67 2HG2 ILE 67 -4.022 -3.384 -2.131 497 HG23 ILE 67 3HG2 ILE 67 -4.411 -2.051 -3.218 498 HD11 ILE 67 3HD1 ILE 67 -7.138 -1.505 -3.236 499 HD12 ILE 67 1HD1 ILE 67 -7.714 -1.375 -4.898 500 HD13 ILE 67 2HD1 ILE 67 -8.341 -2.643 -3.844 501 H LEU 68 H LEU 68 -6.079 -6.095 -2.087 502 HA LEU 68 HA LEU 68 -4.410 -6.294 -0.003 503 HB2 LEU 68 1HB LEU 68 -6.353 -8.246 -1.141 504 HB3 LEU 68 2HB LEU 68 -5.353 -8.738 0.224 505 HG LEU 68 HG LEU 68 -7.736 -7.793 0.637 506 HD11 LEU 68 1HD1 LEU 68 -5.731 -8.233 2.248 507 HD12 LEU 68 2HD1 LEU 68 -7.121 -7.297 2.795 508 HD13 LEU 68 3HD1 LEU 68 -5.642 -6.473 2.301 509 HD21 LEU 68 3HD2 LEU 68 -7.538 -5.788 -0.696 510 HD22 LEU 68 1HD2 LEU 68 -6.143 -5.262 0.246 511 HD23 LEU 68 2HD2 LEU 68 -7.734 -5.351 1.002 512 H GLY 69 H GLY 69 -4.265 -8.368 -2.875 513 HA2 GLY 69 1HA GLY 69 -2.275 -10.130 -2.049 514 HA3 GLY 69 2HA GLY 69 -2.566 -9.661 -3.717 515 H GLY 70 H GLY 70 -1.892 -7.030 -3.765 516 HA2 GLY 70 1HA GLY 70 0.936 -7.143 -3.859 517 HA3 GLY 70 2HA GLY 70 -0.044 -5.700 -4.075 518 H VAL 71 H VAL 71 -1.283 -5.486 -1.630 519 HA VAL 71 HA VAL 71 0.556 -4.119 -0.090 520 HB VAL 71 HB VAL 71 -2.023 -5.429 0.771 521 HG11 VAL 71 1HG1 VAL 71 0.035 -4.233 2.367 522 HG12 VAL 71 2HG1 VAL 71 -1.429 -3.251 2.441 523 HG13 VAL 71 3HG1 VAL 71 -1.490 -4.959 2.874 524 HG21 VAL 71 3HG2 VAL 71 -1.633 -3.336 -0.938 525 HG22 VAL 71 1HG2 VAL 71 -3.090 -3.606 0.019 526 HG23 VAL 71 2HG2 VAL 71 -1.838 -2.512 0.607 527 H GLU 72 H GLU 72 -0.769 -7.361 0.597 528 HA GLU 72 HA GLU 72 0.679 -7.990 2.836 529 HB2 GLU 72 1HB GLU 72 -0.173 -9.762 0.548 530 HB3 GLU 72 2HB GLU 72 0.528 -10.388 2.033 531 HG2 GLU 72 1HG GLU 72 -1.821 -8.578 2.224 532 HG3 GLU 72 2HG GLU 72 -2.070 -10.242 1.698 533 H GLN 73 H GLN 73 1.744 -8.032 -0.509 534 HA GLN 73 HA GLN 73 4.222 -9.350 -0.005 535 HB2 GLN 73 1HB GLN 73 3.009 -7.889 -2.307 536 HB3 GLN 73 2HB GLN 73 4.748 -8.154 -2.310 537 HG2 GLN 73 1HG GLN 73 2.763 -10.374 -1.927 538 HG3 GLN 73 2HG GLN 73 3.350 -9.870 -3.511 539 HE21 GLN 73 2HE2 GLN 73 6.137 -11.873 -3.313 540 HE22 GLN 73 1HE2 GLN 73 4.929 -11.071 -4.253 541 H LEU 74 H LEU 74 3.157 -6.011 -0.056 542 HA LEU 74 HA LEU 74 5.734 -4.828 -0.042 543 HB2 LEU 74 1HB LEU 74 2.990 -3.872 0.684 544 HB3 LEU 74 2HB LEU 74 4.404 -2.860 0.970 545 HG LEU 74 HG LEU 74 3.421 -3.870 -1.697 546 HD11 LEU 74 1HD1 LEU 74 2.914 -1.487 -0.138 547 HD12 LEU 74 2HD1 LEU 74 2.136 -2.059 -1.613 548 HD13 LEU 74 3HD1 LEU 74 3.617 -1.105 -1.710 549 HD21 LEU 74 3HD2 LEU 74 5.967 -2.591 -0.845 550 HD22 LEU 74 1HD2 LEU 74 5.262 -2.110 -2.389 551 HD23 LEU 74 2HD2 LEU 74 5.670 -3.801 -2.094 552 H GLN 75 H GLN 75 3.379 -5.401 2.571 553 HA GLN 75 HA GLN 75 4.680 -4.413 4.731 554 HB2 GLN 75 1HB GLN 75 3.258 -7.078 4.611 555 HB3 GLN 75 2HB GLN 75 3.611 -6.178 6.080 556 HG2 GLN 75 1HG GLN 75 2.250 -4.289 5.063 557 HG3 GLN 75 2HG GLN 75 1.702 -5.474 3.878 558 HE21 GLN 75 2HE2 GLN 75 -0.953 -6.013 6.072 559 HE22 GLN 75 1HE2 GLN 75 -0.425 -5.325 4.578 560 H ALA 76 H ALA 76 5.511 -7.303 2.942 561 HA ALA 76 HA ALA 76 7.336 -8.393 4.809 562 HB1 ALA 76 3HB ALA 76 8.098 -9.793 3.001 563 HB2 ALA 76 1HB ALA 76 6.340 -9.660 2.933 564 HB3 ALA 76 2HB ALA 76 7.339 -8.733 1.813 565 H LEU 77 H LEU 77 8.164 -6.941 1.660 566 HA LEU 77 HA LEU 77 10.850 -6.524 2.186 567 HB2 LEU 77 1HB LEU 77 10.698 -4.744 0.413 568 HB3 LEU 77 2HB LEU 77 10.115 -6.344 -0.041 569 HG LEU 77 HG LEU 77 7.782 -5.338 0.624 570 HD11 LEU 77 1HD1 LEU 77 8.958 -3.211 1.416 571 HD12 LEU 77 2HD1 LEU 77 7.535 -3.027 0.391 572 HD13 LEU 77 3HD1 LEU 77 9.148 -2.831 -0.296 573 HD21 LEU 77 3HD2 LEU 77 9.320 -4.851 -1.912 574 HD22 LEU 77 1HD2 LEU 77 7.610 -4.449 -1.750 575 HD23 LEU 77 2HD2 LEU 77 8.144 -6.120 -1.566 576 H SER 78 H SER 78 8.124 -4.823 3.379 577 HA SER 78 HA SER 78 9.521 -2.384 3.999 578 HB2 SER 78 1HB SER 78 7.238 -2.018 3.694 579 HB3 SER 78 2HB SER 78 6.785 -3.471 4.585 580 HG SER 78 HG SER 78 8.090 -1.327 5.870 581 H SER 79 H SER 79 8.539 -5.294 5.736 582 HA SER 79 HA SER 79 8.996 -4.631 8.340 583 HB2 SER 79 1HB SER 79 8.326 -6.905 7.316 584 HB3 SER 79 2HB SER 79 10.059 -7.223 7.233 585 HG SER 79 HG SER 79 10.104 -7.497 9.321 586 H ARG 80 H ARG 80 11.491 -5.960 6.160 587 HA ARG 80 HA ARG 80 13.524 -4.704 7.882 588 HB2 ARG 80 1HB ARG 80 15.092 -6.402 6.977 589 HB3 ARG 80 2HB ARG 80 13.749 -7.110 7.866 590 HG2 ARG 80 1HG ARG 80 12.649 -7.327 5.527 591 HG3 ARG 80 2HG ARG 80 14.300 -7.139 4.933 592 HD2 ARG 80 1HD ARG 80 13.778 -9.103 7.108 593 HD3 ARG 80 2HD ARG 80 13.291 -9.516 5.465 594 HE ARG 80 HE ARG 80 15.512 -9.698 4.874 595 HH11 ARG 80 2HH1 ARG 80 15.233 -8.291 8.046 596 HH12 ARG 80 1HH1 ARG 80 16.922 -8.437 8.402 597 HH21 ARG 80 1HH2 ARG 80 18.346 -9.349 6.856 598 HH22 ARG 80 2HH2 ARG 80 17.738 -9.895 5.330 599 H LEU 81 H LEU 81 15.070 -3.406 6.989 600 HA LEU 81 HA LEU 81 14.520 -2.409 4.322 601 HB2 LEU 81 1HB LEU 81 16.151 -1.510 6.644 602 HB3 LEU 81 2HB LEU 81 16.564 -0.906 5.040 603 HG LEU 81 HG LEU 81 14.140 -0.142 4.875 604 HD11 LEU 81 1HD1 LEU 81 12.743 -0.213 6.648 605 HD12 LEU 81 2HD1 LEU 81 14.046 -0.045 7.824 606 HD13 LEU 81 3HD1 LEU 81 13.729 -1.611 7.078 607 HD21 LEU 81 3HD2 LEU 81 14.592 1.901 6.156 608 HD22 LEU 81 1HD2 LEU 81 15.990 1.400 5.204 609 HD23 LEU 81 2HD2 LEU 81 15.954 1.101 6.942 610 H GLN 82 H GLN 82 16.406 -1.924 2.869 611 HA GLN 82 HA GLN 82 18.043 -2.709 1.497 612 HB2 GLN 82 1HB GLN 82 19.231 -2.283 3.813 613 HB3 GLN 82 2HB GLN 82 19.393 -4.034 3.810 614 HG2 GLN 82 1HG GLN 82 20.715 -4.015 1.870 615 HG3 GLN 82 2HG GLN 82 20.290 -2.345 1.501 616 HE21 GLN 82 2HE2 GLN 82 23.633 -3.021 3.396 617 HE22 GLN 82 1HE2 GLN 82 22.782 -4.106 2.356 618 H THR 83 H THR 83 15.917 -4.265 1.291 619 HA THR 83 HA THR 83 16.421 -7.019 1.891 620 HB THR 83 HB THR 83 14.442 -7.459 0.435 621 HG1 THR 83 1HG THR 83 14.203 -4.633 0.256 622 HG21 THR 83 3HG2 THR 83 13.633 -7.224 2.537 623 HG22 THR 83 1HG2 THR 83 12.949 -5.738 1.882 624 HG23 THR 83 2HG2 THR 83 14.456 -5.686 2.796 625 H GLU 84 H GLU 84 16.426 -8.705 0.162 626 HA GLU 84 HA GLU 84 17.972 -7.820 -2.185 627 HB2 GLU 84 1HB GLU 84 19.138 -9.168 -0.224 628 HB3 GLU 84 2HB GLU 84 18.403 -10.541 -1.040 629 HG2 GLU 84 1HG GLU 84 19.696 -10.294 -2.922 630 HG3 GLU 84 2HG GLU 84 19.989 -8.582 -2.626 631 H ASN 85 H ASN 85 17.564 -8.843 -4.131 632 HA ASN 85 HA ASN 85 15.820 -11.104 -4.334 633 HB2 ASN 85 1HB ASN 85 13.955 -10.035 -5.435 634 HB3 ASN 85 2HB ASN 85 14.202 -9.259 -3.873 635 HD21 ASN 85 2HD2 ASN 85 15.327 -6.191 -5.248 636 HD22 ASN 85 1HD2 ASN 85 15.522 -7.263 -3.907 637 H SER 86 H SER 86 15.316 -11.598 -6.664 638 HA SER 86 HA SER 86 17.407 -10.532 -8.443 639 HB2 SER 86 1HB SER 86 17.964 -12.817 -7.586 640 HB3 SER 86 2HB SER 86 16.493 -13.416 -8.351 641 HG SER 86 HG SER 86 17.387 -13.212 -10.278 642 H GLY 87 H GLY 87 16.281 -9.307 -9.837 643 HA2 GLY 87 1HA GLY 87 15.103 -9.318 -11.934 644 HA3 GLY 87 2HA GLY 87 14.107 -10.629 -11.320 645 HA PRO 88 HA PRO 88 12.626 -6.438 -9.334 646 HB2 PRO 88 2HB PRO 88 14.273 -4.844 -9.493 647 HB3 PRO 88 1HB PRO 88 13.247 -4.238 -10.799 648 HG2 PRO 88 1HG PRO 88 14.543 -5.230 -12.450 649 HG3 PRO 88 2HG PRO 88 15.796 -4.865 -11.250 650 HD2 PRO 88 1HD PRO 88 15.388 -7.361 -12.218 651 HD3 PRO 88 2HD PRO 88 15.954 -7.059 -10.562 652 H SER 89 H SER 89 12.712 -7.283 -12.681 653 HA SER 89 HA SER 89 10.683 -5.751 -13.769 654 HB2 SER 89 1HB SER 89 11.560 -8.583 -14.316 655 HB3 SER 89 2HB SER 89 10.271 -7.817 -15.243 656 HG SER 89 HG SER 89 12.667 -7.666 -15.907 657 H SER 90 H SER 90 10.414 -8.842 -12.039 658 HA SER 90 HA SER 90 8.631 -9.933 -11.129 659 HB2 SER 90 1HB SER 90 8.771 -7.935 -9.647 660 HB3 SER 90 2HB SER 90 7.593 -7.124 -10.680 661 HG SER 90 HG SER 90 7.137 -9.586 -9.342 662 H GLY 91 H GLY 91 8.482 -9.791 -13.883 663 HA2 GLY 91 1HA GLY 91 6.525 -10.753 -15.035 664 HA3 GLY 91 2HA GLY 91 5.574 -9.467 -14.307 Start of MODEL 5 1 H1 GLY 1 H GLY 1 13.435 16.152 -9.413 2 HA2 GLY 1 1HA GLY 1 15.386 15.155 -8.215 3 HA3 GLY 1 2HA GLY 1 15.517 16.901 -8.363 4 H SER 2 H SER 2 15.244 14.247 -6.227 5 HA SER 2 HA SER 2 14.550 15.844 -3.915 6 HB2 SER 2 1HB SER 2 15.453 12.958 -4.071 7 HB3 SER 2 2HB SER 2 14.749 13.752 -2.662 8 HG SER 2 HG SER 2 13.483 12.534 -4.629 9 H SER 3 H SER 3 15.906 16.164 -2.098 10 HA SER 3 HA SER 3 18.407 17.161 -2.561 11 HB2 SER 3 1HB SER 3 18.784 17.089 -0.170 12 HB3 SER 3 2HB SER 3 17.084 17.459 -0.461 13 HG SER 3 HG SER 3 16.868 15.862 0.927 14 H GLY 4 H GLY 4 17.588 13.855 -1.565 15 HA2 GLY 4 1HA GLY 4 19.951 12.826 -2.836 16 HA3 GLY 4 2HA GLY 4 20.045 12.770 -1.082 17 H SER 5 H SER 5 20.244 10.416 -1.640 18 HA SER 5 HA SER 5 17.605 9.195 -1.407 19 HB2 SER 5 1HB SER 5 18.462 9.236 -3.869 20 HB3 SER 5 2HB SER 5 19.560 7.965 -3.330 21 HG SER 5 HG SER 5 17.759 6.928 -4.031 22 H SER 6 H SER 6 17.655 7.043 -0.548 23 HA SER 6 HA SER 6 20.193 6.382 0.798 24 HB2 SER 6 1HB SER 6 17.368 6.295 1.850 25 HB3 SER 6 2HB SER 6 18.673 5.381 2.606 26 HG SER 6 HG SER 6 18.420 8.184 2.330 27 H GLY 7 H GLY 7 17.073 5.006 -0.243 28 HA2 GLY 7 1HA GLY 7 18.046 2.977 -1.819 29 HA3 GLY 7 2HA GLY 7 18.044 2.315 -0.191 30 H MET 8 H MET 8 16.150 1.672 0.728 31 HA MET 8 HA MET 8 13.657 2.259 -0.700 32 HB2 MET 8 1HB MET 8 14.693 -0.001 -1.352 33 HB3 MET 8 2HB MET 8 14.272 -0.523 0.273 34 HG2 MET 8 1HG MET 8 12.229 0.661 -1.569 35 HG3 MET 8 2HG MET 8 12.649 -1.049 -1.627 36 HE1 MET 8 3HE MET 8 9.133 -0.873 0.197 37 HE2 MET 8 1HE MET 8 9.701 0.276 -1.016 38 HE3 MET 8 2HE MET 8 9.996 -1.450 -1.230 39 H GLU 9 H GLU 9 12.491 3.312 0.775 40 HA GLU 9 HA GLU 9 12.737 2.696 3.594 41 HB2 GLU 9 1HB GLU 9 11.638 4.689 4.006 42 HB3 GLU 9 2HB GLU 9 12.429 5.035 2.474 43 HG2 GLU 9 1HG GLU 9 10.351 4.549 1.288 44 HG3 GLU 9 2HG GLU 9 9.557 4.202 2.823 45 HA PRO 10 HA PRO 10 9.269 0.036 3.990 46 HB2 PRO 10 2HB PRO 10 9.849 -0.194 6.201 47 HB3 PRO 10 1HB PRO 10 8.358 0.721 6.454 48 HG2 PRO 10 1HG PRO 10 9.488 2.729 6.735 49 HG3 PRO 10 2HG PRO 10 10.680 1.606 7.416 50 HD2 PRO 10 1HD PRO 10 11.275 3.318 5.405 51 HD3 PRO 10 2HD PRO 10 12.038 1.722 5.558 52 H VAL 11 H VAL 11 7.066 -0.039 3.696 53 HA VAL 11 HA VAL 11 5.789 2.311 2.738 54 HB VAL 11 HB VAL 11 4.556 -0.366 3.406 55 HG11 VAL 11 1HG1 VAL 11 3.471 1.518 1.366 56 HG12 VAL 11 2HG1 VAL 11 2.641 0.285 2.317 57 HG13 VAL 11 3HG1 VAL 11 3.123 1.805 3.071 58 HG21 VAL 11 3HG2 VAL 11 5.728 -1.139 1.678 59 HG22 VAL 11 1HG2 VAL 11 4.770 -0.078 0.645 60 HG23 VAL 11 2HG2 VAL 11 6.321 0.473 1.279 61 H GLU 12 H GLU 12 5.684 0.536 5.766 62 HA GLU 12 HA GLU 12 3.399 1.611 6.912 63 HB2 GLU 12 1HB GLU 12 4.133 0.722 8.898 64 HB3 GLU 12 2HB GLU 12 5.139 -0.175 7.770 65 HG2 GLU 12 1HG GLU 12 6.977 1.384 8.166 66 HG3 GLU 12 2HG GLU 12 5.968 2.280 9.301 67 H THR 13 H THR 13 6.249 3.195 6.014 68 HA THR 13 HA THR 13 5.672 5.464 7.800 69 HB THR 13 HB THR 13 7.966 6.268 7.177 70 HG1 THR 13 1HG THR 13 9.347 4.746 6.178 71 HG21 THR 13 3HG2 THR 13 8.687 3.703 8.282 72 HG22 THR 13 1HG2 THR 13 7.198 4.300 9.013 73 HG23 THR 13 2HG2 THR 13 8.658 5.287 9.057 74 H TRP 14 H TRP 14 5.775 4.415 4.512 75 HA TRP 14 HA TRP 14 6.144 6.643 3.012 76 HB2 TRP 14 1HB TRP 14 4.133 4.422 2.712 77 HB3 TRP 14 2HB TRP 14 4.266 5.707 1.515 78 HD1 TRP 14 HD TRP 14 7.574 4.754 2.966 79 HE1 TRP 14 1HE TRP 14 8.897 3.334 1.275 80 HE3 TRP 14 3HE TRP 14 3.841 3.809 -0.397 81 HZ2 TRP 14 2HZ TRP 14 8.421 1.992 -1.162 82 HZ3 TRP 14 3HZ TRP 14 4.358 2.450 -2.382 83 HH2 TRP 14 HH TRP 14 6.601 1.561 -2.755 84 H THR 15 H THR 15 4.727 8.241 2.089 85 HA THR 15 HA THR 15 2.857 9.281 4.063 86 HB THR 15 HB THR 15 2.785 11.229 2.323 87 HG1 THR 15 1HG THR 15 4.695 11.305 1.059 88 HG21 THR 15 3HG2 THR 15 5.451 11.418 3.307 89 HG22 THR 15 1HG2 THR 15 4.468 10.602 4.522 90 HG23 THR 15 2HG2 THR 15 3.993 12.193 3.926 91 HA PRO 16 HA PRO 16 -0.846 8.242 1.947 92 HB2 PRO 16 2HB PRO 16 -1.985 9.255 3.666 93 HB3 PRO 16 1HB PRO 16 -2.383 10.432 2.408 94 HG2 PRO 16 1HG PRO 16 -0.737 11.916 3.100 95 HG3 PRO 16 2HG PRO 16 -1.180 11.197 4.659 96 HD2 PRO 16 1HD PRO 16 1.362 11.202 3.726 97 HD3 PRO 16 2HD PRO 16 0.719 9.894 4.739 98 H GLY 17 H GLY 17 1.242 10.496 0.762 99 HA2 GLY 17 1HA GLY 17 -0.527 11.302 -1.449 100 HA3 GLY 17 2HA GLY 17 0.984 12.089 -1.017 101 H LYS 18 H LYS 18 2.014 9.163 -0.696 102 HA LYS 18 HA LYS 18 2.931 8.974 -3.459 103 HB2 LYS 18 1HB LYS 18 3.842 7.306 -1.117 104 HB3 LYS 18 2HB LYS 18 4.676 7.565 -2.643 105 HG2 LYS 18 1HG LYS 18 5.281 9.751 -2.074 106 HG3 LYS 18 2HG LYS 18 4.103 9.827 -0.761 107 HD2 LYS 18 1HD LYS 18 6.202 9.554 0.281 108 HD3 LYS 18 2HD LYS 18 5.433 7.966 0.342 109 HE2 LYS 18 1HE LYS 18 6.840 7.081 -1.263 110 HE3 LYS 18 2HE LYS 18 7.220 8.659 -1.949 111 HZ1 LYS 18 3HZ LYS 18 8.730 9.115 -0.281 112 HZ2 LYS 18 1HZ LYS 18 8.980 7.461 -0.536 113 HZ3 LYS 18 2HZ LYS 18 8.070 7.984 0.790 114 H VAL 19 H VAL 19 1.241 7.056 -1.023 115 HA VAL 19 HA VAL 19 1.058 4.607 -2.224 116 HB VAL 19 HB VAL 19 -1.149 6.062 -0.761 117 HG11 VAL 19 1HG1 VAL 19 -0.861 3.088 -1.111 118 HG12 VAL 19 2HG1 VAL 19 -2.231 3.981 -0.449 119 HG13 VAL 19 3HG1 VAL 19 -1.857 4.087 -2.169 120 HG21 VAL 19 3HG2 VAL 19 0.872 5.857 0.565 121 HG22 VAL 19 1HG2 VAL 19 -0.367 4.763 1.180 122 HG23 VAL 19 2HG2 VAL 19 0.961 4.132 0.206 123 H ALA 20 H ALA 20 -0.853 7.491 -2.950 124 HA ALA 20 HA ALA 20 -2.781 6.499 -4.619 125 HB1 ALA 20 3HB ALA 20 -3.002 8.648 -5.523 126 HB2 ALA 20 1HB ALA 20 -2.354 8.912 -3.903 127 HB3 ALA 20 2HB ALA 20 -1.289 9.011 -5.306 128 H THR 21 H THR 21 0.631 6.905 -5.280 129 HA THR 21 HA THR 21 0.368 6.385 -8.104 130 HB THR 21 HB THR 21 2.859 6.424 -6.388 131 HG1 THR 21 1HG THR 21 2.932 8.544 -6.783 132 HG21 THR 21 3HG2 THR 21 3.167 5.215 -8.495 133 HG22 THR 21 1HG2 THR 21 4.045 6.744 -8.509 134 HG23 THR 21 2HG2 THR 21 2.522 6.593 -9.386 135 H TRP 22 H TRP 22 1.365 4.587 -5.231 136 HA TRP 22 HA TRP 22 2.153 2.243 -6.642 137 HB2 TRP 22 1HB TRP 22 2.917 2.847 -4.333 138 HB3 TRP 22 2HB TRP 22 1.300 2.462 -3.749 139 HD1 TRP 22 HD TRP 22 4.501 0.814 -5.009 140 HE1 TRP 22 1HE TRP 22 4.390 -1.707 -4.503 141 HE3 TRP 22 3HE TRP 22 -0.354 0.515 -3.434 142 HZ2 TRP 22 2HZ TRP 22 2.495 -3.576 -3.561 143 HZ3 TRP 22 3HZ TRP 22 -1.238 -1.676 -2.748 144 HH2 TRP 22 HH TRP 22 0.158 -3.678 -2.812 145 H LEU 23 H LEU 23 -0.873 3.482 -5.499 146 HA LEU 23 HA LEU 23 -2.253 0.956 -5.615 147 HB2 LEU 23 1HB LEU 23 -2.975 3.777 -5.042 148 HB3 LEU 23 2HB LEU 23 -4.261 2.700 -5.584 149 HG LEU 23 HG LEU 23 -2.512 2.183 -3.182 150 HD11 LEU 23 1HD1 LEU 23 -4.595 2.764 -1.909 151 HD12 LEU 23 2HD1 LEU 23 -5.239 3.435 -3.407 152 HD13 LEU 23 3HD1 LEU 23 -3.786 4.125 -2.686 153 HD21 LEU 23 3HD2 LEU 23 -4.687 0.720 -4.552 154 HD22 LEU 23 1HD2 LEU 23 -4.730 0.743 -2.789 155 HD23 LEU 23 2HD2 LEU 23 -3.313 0.112 -3.627 156 H ARG 24 H ARG 24 -2.322 3.951 -7.544 157 HA ARG 24 HA ARG 24 -4.064 2.975 -9.530 158 HB2 ARG 24 1HB ARG 24 -3.672 4.959 -10.657 159 HB3 ARG 24 2HB ARG 24 -3.275 5.405 -9.003 160 HG2 ARG 24 1HG ARG 24 -1.498 6.300 -10.120 161 HG3 ARG 24 2HG ARG 24 -0.855 4.704 -9.726 162 HD2 ARG 24 1HD ARG 24 -1.122 3.924 -11.900 163 HD3 ARG 24 2HD ARG 24 -2.301 5.171 -12.305 164 HE ARG 24 HE ARG 24 -0.574 6.514 -12.943 165 HH11 ARG 24 2HH1 ARG 24 0.666 4.040 -10.831 166 HH12 ARG 24 1HH1 ARG 24 2.321 4.505 -11.042 167 HH21 ARG 24 1HH2 ARG 24 2.852 6.267 -12.407 168 HH22 ARG 24 2HH2 ARG 24 1.602 7.136 -13.230 169 H GLY 25 H GLY 25 -0.714 2.450 -8.947 170 HA2 GLY 25 1HA GLY 25 -0.124 1.639 -11.670 171 HA3 GLY 25 2HA GLY 25 0.975 1.580 -10.300 172 H LEU 26 H LEU 26 -0.830 0.104 -8.586 173 HA LEU 26 HA LEU 26 -0.031 -2.442 -8.832 174 HB2 LEU 26 1HB LEU 26 -2.543 -1.240 -7.807 175 HB3 LEU 26 2HB LEU 26 -2.491 -2.993 -7.981 176 HG LEU 26 HG LEU 26 -0.291 -1.641 -6.494 177 HD11 LEU 26 1HD1 LEU 26 -2.998 -1.255 -5.816 178 HD12 LEU 26 2HD1 LEU 26 -1.569 -0.862 -4.861 179 HD13 LEU 26 3HD1 LEU 26 -2.345 -2.434 -4.679 180 HD21 LEU 26 3HD2 LEU 26 -0.301 -3.718 -5.249 181 HD22 LEU 26 1HD2 LEU 26 -0.235 -4.055 -6.979 182 HD23 LEU 26 2HD2 LEU 26 -1.751 -4.252 -6.100 183 H ASP 27 H ASP 27 -2.809 -1.052 -10.535 184 HA ASP 27 HA ASP 27 -2.486 -2.696 -12.798 185 HB2 ASP 27 1HB ASP 27 -4.337 -3.671 -10.680 186 HB3 ASP 27 2HB ASP 27 -4.872 -3.810 -12.352 187 H ASP 28 H ASP 28 -4.119 -2.316 -14.430 188 HA ASP 28 HA ASP 28 -5.014 0.360 -14.466 189 HB2 ASP 28 1HB ASP 28 -6.110 -0.246 -16.590 190 HB3 ASP 28 2HB ASP 28 -4.451 -0.833 -16.519 191 H SER 29 H SER 29 -6.752 -2.711 -14.072 192 HA SER 29 HA SER 29 -9.348 -1.774 -14.000 193 HB2 SER 29 1HB SER 29 -8.059 -4.045 -12.478 194 HB3 SER 29 2HB SER 29 -9.799 -3.755 -12.487 195 HG SER 29 HG SER 29 -9.615 -3.879 -14.841 196 H LEU 30 H LEU 30 -6.824 -1.188 -11.784 197 HA LEU 30 HA LEU 30 -8.685 -0.376 -9.670 198 HB2 LEU 30 1HB LEU 30 -5.676 -0.511 -9.595 199 HB3 LEU 30 2HB LEU 30 -6.753 -0.238 -8.226 200 HG LEU 30 HG LEU 30 -6.666 -2.790 -9.832 201 HD11 LEU 30 1HD1 LEU 30 -4.790 -1.815 -7.957 202 HD12 LEU 30 2HD1 LEU 30 -4.878 -3.418 -8.687 203 HD13 LEU 30 3HD1 LEU 30 -5.713 -3.094 -7.168 204 HD21 LEU 30 3HD2 LEU 30 -7.810 -3.631 -7.721 205 HD22 LEU 30 1HD2 LEU 30 -8.769 -2.613 -8.796 206 HD23 LEU 30 2HD2 LEU 30 -8.080 -1.934 -7.321 207 H GLN 31 H GLN 31 -6.538 0.876 -12.073 208 HA GLN 31 HA GLN 31 -5.941 3.394 -11.079 209 HB2 GLN 31 1HB GLN 31 -6.251 2.249 -13.813 210 HB3 GLN 31 2HB GLN 31 -6.153 3.998 -13.658 211 HG2 GLN 31 1HG GLN 31 -4.047 3.534 -12.250 212 HG3 GLN 31 2HG GLN 31 -4.104 1.931 -12.982 213 HE21 GLN 31 2HE2 GLN 31 -3.176 3.013 -16.198 214 HE22 GLN 31 1HE2 GLN 31 -4.001 1.791 -15.297 215 H ASP 32 H ASP 32 -8.969 2.103 -11.866 216 HA ASP 32 HA ASP 32 -10.309 4.464 -12.696 217 HB2 ASP 32 1HB ASP 32 -11.064 2.004 -12.925 218 HB3 ASP 32 2HB ASP 32 -11.653 2.178 -11.274 219 H TYR 33 H TYR 33 -10.213 2.770 -9.562 220 HA TYR 33 HA TYR 33 -11.770 4.496 -8.082 221 HB2 TYR 33 1HB TYR 33 -9.353 2.881 -7.267 222 HB3 TYR 33 2HB TYR 33 -10.364 3.743 -6.113 223 HD1 TYR 33 2HD TYR 33 -12.795 3.100 -5.913 224 HD2 TYR 33 1HD TYR 33 -9.989 0.767 -8.100 225 HE1 TYR 33 2HE TYR 33 -14.322 1.175 -5.807 226 HE2 TYR 33 1HE TYR 33 -11.508 -1.165 -8.001 227 HH TYR 33 HH TYR 33 -14.617 -0.970 -6.293 228 HA PRO 34 HA PRO 34 -9.513 8.288 -8.000 229 HB2 PRO 34 2HB PRO 34 -11.521 9.285 -7.498 230 HB3 PRO 34 1HB PRO 34 -10.788 9.438 -5.897 231 HG2 PRO 34 1HG PRO 34 -11.908 7.582 -5.067 232 HG3 PRO 34 2HG PRO 34 -13.118 8.185 -6.214 233 HD2 PRO 34 1HD PRO 34 -12.158 5.655 -6.306 234 HD3 PRO 34 2HD PRO 34 -12.654 6.542 -7.762 235 H PHE 35 H PHE 35 -7.540 7.125 -7.325 236 HA PHE 35 HA PHE 35 -6.974 6.767 -4.547 237 HB2 PHE 35 1HB PHE 35 -5.151 6.809 -6.960 238 HB3 PHE 35 2HB PHE 35 -4.643 6.362 -5.335 239 HD1 PHE 35 2HD PHE 35 -6.581 4.618 -4.296 240 HD2 PHE 35 1HD PHE 35 -5.289 4.990 -8.335 241 HE1 PHE 35 2HE PHE 35 -7.262 2.293 -4.724 242 HE2 PHE 35 1HE PHE 35 -5.968 2.665 -8.770 243 HZ PHE 35 HZ PHE 35 -6.955 1.313 -6.963 244 H GLU 36 H GLU 36 -6.956 9.444 -6.637 245 HA GLU 36 HA GLU 36 -4.901 10.933 -5.275 246 HB2 GLU 36 1HB GLU 36 -6.873 11.542 -7.448 247 HB3 GLU 36 2HB GLU 36 -6.023 12.855 -6.646 248 HG2 GLU 36 1HG GLU 36 -3.924 12.083 -7.384 249 HG3 GLU 36 2HG GLU 36 -4.589 10.530 -7.888 250 H ASP 37 H ASP 37 -8.234 10.326 -4.814 251 HA ASP 37 HA ASP 37 -8.435 12.581 -2.929 252 HB2 ASP 37 1HB ASP 37 -10.101 12.206 -4.949 253 HB3 ASP 37 2HB ASP 37 -10.846 11.066 -3.833 254 H TRP 38 H TRP 38 -7.383 9.688 -2.697 255 HA TRP 38 HA TRP 38 -9.166 8.542 -0.724 256 HB2 TRP 38 1HB TRP 38 -6.670 7.688 -2.106 257 HB3 TRP 38 2HB TRP 38 -7.022 6.963 -0.539 258 HD1 TRP 38 HD TRP 38 -9.943 7.791 -2.826 259 HE1 TRP 38 1HE TRP 38 -10.986 5.598 -3.680 260 HE3 TRP 38 3HE TRP 38 -6.423 4.501 -1.119 261 HZ2 TRP 38 2HZ TRP 38 -10.395 2.838 -3.635 262 HZ3 TRP 38 3HZ TRP 38 -6.736 2.101 -1.566 263 HH2 TRP 38 HH TRP 38 -8.682 1.289 -2.797 264 H GLN 39 H GLN 39 -5.893 9.925 -0.781 265 HA GLN 39 HA GLN 39 -4.584 10.815 0.852 266 HB2 GLN 39 1HB GLN 39 -7.330 11.260 1.988 267 HB3 GLN 39 2HB GLN 39 -5.893 11.730 2.887 268 HG2 GLN 39 1HG GLN 39 -5.298 12.915 0.598 269 HG3 GLN 39 2HG GLN 39 -7.051 12.882 0.415 270 HE21 GLN 39 2HE2 GLN 39 -7.548 15.611 2.452 271 HE22 GLN 39 1HE2 GLN 39 -8.109 14.544 1.215 272 H LEU 40 H LEU 40 -4.933 7.991 0.820 273 HA LEU 40 HA LEU 40 -5.064 7.202 3.625 274 HB2 LEU 40 1HB LEU 40 -6.199 5.869 1.865 275 HB3 LEU 40 2HB LEU 40 -4.619 5.502 1.176 276 HG LEU 40 HG LEU 40 -4.040 4.402 3.366 277 HD11 LEU 40 1HD1 LEU 40 -5.406 4.614 5.095 278 HD12 LEU 40 2HD1 LEU 40 -6.671 3.777 4.196 279 HD13 LEU 40 3HD1 LEU 40 -6.541 5.533 4.106 280 HD21 LEU 40 3HD2 LEU 40 -6.257 3.368 1.619 281 HD22 LEU 40 1HD2 LEU 40 -5.512 2.394 2.887 282 HD23 LEU 40 2HD2 LEU 40 -4.536 2.990 1.544 283 HA PRO 41 HA PRO 41 -0.619 7.643 3.843 284 HB2 PRO 41 2HB PRO 41 -0.959 8.572 5.917 285 HB3 PRO 41 1HB PRO 41 -0.430 6.978 6.468 286 HG2 PRO 41 1HG PRO 41 -2.602 6.244 6.835 287 HG3 PRO 41 2HG PRO 41 -2.788 7.966 7.218 288 HD2 PRO 41 1HD PRO 41 -4.311 6.713 5.362 289 HD3 PRO 41 2HD PRO 41 -3.853 8.423 5.225 290 H GLY 42 H GLY 42 1.183 6.248 4.198 291 HA2 GLY 42 1HA GLY 42 0.834 3.612 3.314 292 HA3 GLY 42 2HA GLY 42 2.299 4.249 4.047 293 H LYS 43 H LYS 43 1.678 4.756 6.583 294 HA LYS 43 HA LYS 43 1.918 2.459 7.965 295 HB2 LYS 43 1HB LYS 43 0.625 3.690 9.854 296 HB3 LYS 43 2HB LYS 43 2.132 4.375 9.259 297 HG2 LYS 43 1HG LYS 43 1.019 6.050 8.048 298 HG3 LYS 43 2HG LYS 43 -0.538 5.230 8.188 299 HD2 LYS 43 1HD LYS 43 -0.300 5.566 10.704 300 HD3 LYS 43 2HD LYS 43 1.010 6.683 10.318 301 HE2 LYS 43 1HE LYS 43 -0.663 7.846 8.784 302 HE3 LYS 43 2HE LYS 43 -1.901 6.892 9.600 303 HZ1 LYS 43 3HZ LYS 43 -0.303 9.115 10.610 304 HZ2 LYS 43 1HZ LYS 43 -0.676 7.879 11.704 305 HZ3 LYS 43 2HZ LYS 43 -1.918 8.716 10.918 306 H ASN 44 H ASN 44 -1.144 3.893 6.927 307 HA ASN 44 HA ASN 44 -2.713 1.793 8.129 308 HB2 ASN 44 1HB ASN 44 -3.365 4.152 6.373 309 HB3 ASN 44 2HB ASN 44 -4.578 2.937 6.768 310 HD21 ASN 44 2HD2 ASN 44 -5.409 4.856 9.524 311 HD22 ASN 44 1HD2 ASN 44 -5.885 4.153 8.019 312 H LEU 45 H LEU 45 -1.400 2.549 4.977 313 HA LEU 45 HA LEU 45 -2.890 0.943 3.312 314 HB2 LEU 45 1HB LEU 45 -1.092 2.452 2.580 315 HB3 LEU 45 2HB LEU 45 0.099 1.332 3.236 316 HG LEU 45 HG LEU 45 -0.736 -0.373 1.597 317 HD11 LEU 45 1HD1 LEU 45 -2.902 1.124 1.298 318 HD12 LEU 45 2HD1 LEU 45 -2.294 0.088 0.007 319 HD13 LEU 45 3HD1 LEU 45 -1.936 1.815 -0.006 320 HD21 LEU 45 3HD2 LEU 45 0.157 1.243 -0.402 321 HD22 LEU 45 1HD2 LEU 45 1.192 0.386 0.740 322 HD23 LEU 45 2HD2 LEU 45 0.772 2.075 1.027 323 H LEU 46 H LEU 46 -0.185 0.011 5.397 324 HA LEU 46 HA LEU 46 -0.320 -2.752 4.576 325 HB2 LEU 46 1HB LEU 46 1.238 -1.344 6.734 326 HB3 LEU 46 2HB LEU 46 1.362 -3.071 6.404 327 HG LEU 46 HG LEU 46 2.036 -0.904 4.416 328 HD11 LEU 46 1HD1 LEU 46 3.600 -2.159 6.575 329 HD12 LEU 46 2HD1 LEU 46 3.801 -0.597 5.781 330 HD13 LEU 46 3HD1 LEU 46 4.390 -2.065 5.001 331 HD21 LEU 46 3HD2 LEU 46 3.170 -3.588 4.133 332 HD22 LEU 46 1HD2 LEU 46 2.449 -2.524 2.925 333 HD23 LEU 46 2HD2 LEU 46 1.416 -3.520 3.950 334 H GLN 47 H GLN 47 -1.871 -0.775 6.877 335 HA GLN 47 HA GLN 47 -2.645 -3.074 8.524 336 HB2 GLN 47 1HB GLN 47 -2.967 -0.103 8.960 337 HB3 GLN 47 2HB GLN 47 -3.617 -1.329 10.040 338 HG2 GLN 47 1HG GLN 47 -1.125 -2.164 10.056 339 HG3 GLN 47 2HG GLN 47 -0.803 -0.495 9.588 340 HE21 GLN 47 2HE2 GLN 47 -1.116 0.726 12.792 341 HE22 GLN 47 1HE2 GLN 47 -0.576 0.922 11.163 342 H LEU 48 H LEU 48 -3.662 -1.792 5.771 343 HA LEU 48 HA LEU 48 -6.350 -1.143 6.073 344 HB2 LEU 48 1HB LEU 48 -4.668 -2.183 3.863 345 HB3 LEU 48 2HB LEU 48 -6.417 -2.291 3.670 346 HG LEU 48 HG LEU 48 -4.879 0.256 4.177 347 HD11 LEU 48 1HD1 LEU 48 -5.766 0.673 1.771 348 HD12 LEU 48 2HD1 LEU 48 -5.827 -1.087 1.684 349 HD13 LEU 48 3HD1 LEU 48 -4.297 -0.274 2.010 350 HD21 LEU 48 3HD2 LEU 48 -7.522 -0.281 4.699 351 HD22 LEU 48 1HD2 LEU 48 -7.574 0.413 3.078 352 HD23 LEU 48 2HD2 LEU 48 -6.833 1.316 4.400 353 H CYS 49 H CYS 49 -8.029 -2.694 4.790 354 HA CYS 49 HA CYS 49 -7.825 -5.471 5.441 355 HB2 CYS 49 1HB CYS 49 -9.286 -3.619 7.254 356 HB3 CYS 49 2HB CYS 49 -10.051 -5.162 6.893 357 HG CYS 49 HG CYS 49 -7.162 -6.152 7.576 358 HA PRO 50 HA PRO 50 -10.889 -5.840 2.326 359 HB2 PRO 50 2HB PRO 50 -10.682 -8.120 2.517 360 HB3 PRO 50 1HB PRO 50 -12.326 -7.989 3.152 361 HG2 PRO 50 1HG PRO 50 -11.618 -8.098 5.361 362 HG3 PRO 50 2HG PRO 50 -10.396 -9.129 4.593 363 HD2 PRO 50 1HD PRO 50 -9.747 -6.972 6.096 364 HD3 PRO 50 2HD PRO 50 -8.767 -7.503 4.715 365 H GLN 51 H GLN 51 -11.920 -5.457 5.619 366 HA GLN 51 HA GLN 51 -14.686 -4.958 4.873 367 HB2 GLN 51 1HB GLN 51 -14.334 -6.165 6.929 368 HB3 GLN 51 2HB GLN 51 -13.263 -4.909 7.536 369 HG2 GLN 51 1HG GLN 51 -16.058 -4.184 6.826 370 HG3 GLN 51 2HG GLN 51 -15.758 -5.071 8.320 371 HE21 GLN 51 2HE2 GLN 51 -15.634 -1.313 8.747 372 HE22 GLN 51 1HE2 GLN 51 -16.727 -2.341 7.892 373 H SER 52 H SER 52 -11.855 -3.191 6.010 374 HA SER 52 HA SER 52 -13.156 -0.697 6.356 375 HB2 SER 52 1HB SER 52 -10.777 -1.570 7.137 376 HB3 SER 52 2HB SER 52 -10.260 -0.815 5.629 377 HG SER 52 HG SER 52 -11.599 0.407 7.809 378 H LEU 53 H LEU 53 -11.264 -2.073 3.686 379 HA LEU 53 HA LEU 53 -11.089 0.016 1.956 380 HB2 LEU 53 1HB LEU 53 -11.472 -2.905 1.585 381 HB3 LEU 53 2HB LEU 53 -11.649 -1.869 0.170 382 HG LEU 53 HG LEU 53 -9.193 -1.640 1.854 383 HD11 LEU 53 1HD1 LEU 53 -9.332 -4.007 1.524 384 HD12 LEU 53 2HD1 LEU 53 -8.134 -3.361 0.403 385 HD13 LEU 53 3HD1 LEU 53 -9.741 -3.795 -0.178 386 HD21 LEU 53 3HD2 LEU 53 -9.194 -1.580 -1.103 387 HD22 LEU 53 1HD2 LEU 53 -8.318 -0.579 0.055 388 HD23 LEU 53 2HD2 LEU 53 -10.020 -0.256 -0.279 389 H GLU 54 H GLU 54 -13.933 -2.017 2.507 390 HA GLU 54 HA GLU 54 -15.622 -1.212 0.524 391 HB2 GLU 54 1HB GLU 54 -16.432 -1.515 3.419 392 HB3 GLU 54 2HB GLU 54 -17.474 -1.690 2.014 393 HG2 GLU 54 1HG GLU 54 -15.897 -3.579 1.315 394 HG3 GLU 54 2HG GLU 54 -15.298 -3.511 2.971 395 H ALA 55 H ALA 55 -14.755 0.571 3.434 396 HA ALA 55 HA ALA 55 -16.629 2.627 3.302 397 HB1 ALA 55 3HB ALA 55 -13.803 3.110 4.177 398 HB2 ALA 55 1HB ALA 55 -15.298 3.790 4.819 399 HB3 ALA 55 2HB ALA 55 -14.895 2.100 5.124 400 H LEU 56 H LEU 56 -13.609 2.180 1.562 401 HA LEU 56 HA LEU 56 -13.774 4.810 0.343 402 HB2 LEU 56 1HB LEU 56 -11.860 2.563 -0.260 403 HB3 LEU 56 2HB LEU 56 -11.695 4.252 -0.736 404 HG LEU 56 HG LEU 56 -11.634 3.274 2.117 405 HD11 LEU 56 1HD1 LEU 56 -9.726 2.375 0.976 406 HD12 LEU 56 2HD1 LEU 56 -9.201 3.737 1.965 407 HD13 LEU 56 3HD1 LEU 56 -9.386 3.933 0.222 408 HD21 LEU 56 3HD2 LEU 56 -10.853 5.929 0.919 409 HD22 LEU 56 1HD2 LEU 56 -10.814 5.486 2.626 410 HD23 LEU 56 2HD2 LEU 56 -12.358 5.612 1.783 411 H ALA 57 H ALA 57 -15.902 2.851 -0.133 412 HA ALA 57 HA ALA 57 -17.241 2.178 -1.846 413 HB1 ALA 57 3HB ALA 57 -15.437 4.069 -3.331 414 HB2 ALA 57 1HB ALA 57 -16.771 3.220 -4.113 415 HB3 ALA 57 2HB ALA 57 -17.093 4.333 -2.782 416 H VAL 58 H VAL 58 -14.932 0.596 -1.088 417 HA VAL 58 HA VAL 58 -14.458 -0.817 -3.633 418 HB VAL 58 HB VAL 58 -12.603 -0.550 -1.266 419 HG11 VAL 58 1HG1 VAL 58 -11.432 -1.878 -3.520 420 HG12 VAL 58 2HG1 VAL 58 -11.578 -2.432 -1.850 421 HG13 VAL 58 3HG1 VAL 58 -12.879 -2.743 -3.001 422 HG21 VAL 58 3HG2 VAL 58 -11.976 1.265 -2.423 423 HG22 VAL 58 1HG2 VAL 58 -11.210 0.116 -3.521 424 HG23 VAL 58 2HG2 VAL 58 -12.819 0.743 -3.881 425 H ARG 59 H ARG 59 -16.350 -2.080 -3.249 426 HA ARG 59 HA ARG 59 -16.220 -3.910 -0.960 427 HB2 ARG 59 1HB ARG 59 -18.447 -3.173 -2.855 428 HB3 ARG 59 2HB ARG 59 -18.568 -4.521 -1.732 429 HG2 ARG 59 1HG ARG 59 -18.046 -2.846 0.102 430 HG3 ARG 59 2HG ARG 59 -18.335 -1.596 -1.110 431 HD2 ARG 59 1HD ARG 59 -20.338 -3.766 -0.571 432 HD3 ARG 59 2HD ARG 59 -20.292 -2.291 0.394 433 HE ARG 59 HE ARG 59 -20.356 -1.435 -2.206 434 HH11 ARG 59 2HH1 ARG 59 -22.360 -3.455 -0.200 435 HH12 ARG 59 1HH1 ARG 59 -23.826 -3.050 -1.031 436 HH21 ARG 59 1HH2 ARG 59 -23.778 -1.593 -2.799 437 HH22 ARG 59 2HH2 ARG 59 -22.279 -0.893 -3.308 438 H SER 60 H SER 60 -16.521 -3.882 -4.488 439 HA SER 60 HA SER 60 -16.820 -6.513 -5.093 440 HB2 SER 60 1HB SER 60 -15.057 -4.453 -6.424 441 HB3 SER 60 2HB SER 60 -15.339 -6.053 -7.110 442 HG SER 60 HG SER 60 -16.839 -4.655 -7.980 443 H LEU 61 H LEU 61 -15.778 -8.329 -4.638 444 HA LEU 61 HA LEU 61 -13.431 -8.407 -3.094 445 HB2 LEU 61 1HB LEU 61 -15.335 -10.173 -3.535 446 HB3 LEU 61 2HB LEU 61 -14.218 -10.735 -4.777 447 HG LEU 61 HG LEU 61 -13.945 -12.053 -2.779 448 HD11 LEU 61 1HD1 LEU 61 -11.705 -12.118 -2.912 449 HD12 LEU 61 2HD1 LEU 61 -11.526 -10.408 -2.521 450 HD13 LEU 61 3HD1 LEU 61 -11.927 -10.898 -4.167 451 HD21 LEU 61 3HD2 LEU 61 -14.383 -9.582 -1.463 452 HD22 LEU 61 1HD2 LEU 61 -12.796 -10.179 -0.978 453 HD23 LEU 61 2HD2 LEU 61 -14.224 -11.190 -0.756 454 H GLY 62 H GLY 62 -13.958 -9.122 -6.544 455 HA2 GLY 62 1HA GLY 62 -11.456 -9.896 -7.321 456 HA3 GLY 62 2HA GLY 62 -12.516 -8.922 -8.329 457 H HIS 63 H HIS 63 -12.544 -6.584 -6.731 458 HA HIS 63 HA HIS 63 -10.061 -5.421 -7.584 459 HB2 HIS 63 1HB HIS 63 -12.550 -4.373 -6.275 460 HB3 HIS 63 2HB HIS 63 -11.106 -3.368 -6.358 461 HD1 HIS 63 1HD HIS 63 -13.865 -2.852 -7.874 462 HD2 HIS 63 2HD HIS 63 -10.390 -4.423 -9.523 463 HE1 HIS 63 1HE HIS 63 -14.020 -2.385 -10.340 464 HE2 HIS 63 2HE HIS 63 -11.947 -3.420 -11.328 465 H GLN 64 H GLN 64 -11.597 -6.100 -4.462 466 HA GLN 64 HA GLN 64 -9.696 -4.932 -2.797 467 HB2 GLN 64 1HB GLN 64 -11.612 -7.214 -2.445 468 HB3 GLN 64 2HB GLN 64 -10.475 -6.805 -1.167 469 HG2 GLN 64 1HG GLN 64 -11.415 -4.657 -0.886 470 HG3 GLN 64 2HG GLN 64 -12.352 -4.797 -2.373 471 HE21 GLN 64 2HE2 GLN 64 -15.018 -5.515 -0.230 472 HE22 GLN 64 1HE2 GLN 64 -14.256 -4.336 -1.238 473 H GLU 65 H GLU 65 -9.764 -8.128 -4.290 474 HA GLU 65 HA GLU 65 -7.515 -9.173 -2.928 475 HB2 GLU 65 1HB GLU 65 -9.062 -10.663 -4.027 476 HB3 GLU 65 2HB GLU 65 -8.752 -9.907 -5.583 477 HG2 GLU 65 1HG GLU 65 -7.618 -12.035 -5.427 478 HG3 GLU 65 2HG GLU 65 -6.451 -10.718 -5.523 479 H LEU 66 H LEU 66 -7.881 -7.500 -6.026 480 HA LEU 66 HA LEU 66 -5.332 -7.761 -7.043 481 HB2 LEU 66 1HB LEU 66 -7.312 -5.510 -7.194 482 HB3 LEU 66 2HB LEU 66 -5.766 -5.444 -8.038 483 HG LEU 66 HG LEU 66 -7.709 -7.692 -8.477 484 HD11 LEU 66 1HD1 LEU 66 -7.612 -5.480 -10.427 485 HD12 LEU 66 2HD1 LEU 66 -8.480 -5.166 -8.926 486 HD13 LEU 66 3HD1 LEU 66 -8.954 -6.520 -9.950 487 HD21 LEU 66 3HD2 LEU 66 -5.688 -8.293 -9.407 488 HD22 LEU 66 1HD2 LEU 66 -5.262 -6.632 -9.820 489 HD23 LEU 66 2HD2 LEU 66 -6.478 -7.491 -10.766 490 H ILE 67 H ILE 67 -6.525 -5.416 -4.676 491 HA ILE 67 HA ILE 67 -3.917 -4.181 -4.420 492 HB ILE 67 HB ILE 67 -6.436 -3.724 -2.816 493 HG12 ILE 67 1HG1 ILE 67 -5.269 -1.974 -4.981 494 HG13 ILE 67 2HG1 ILE 67 -6.501 -3.190 -5.302 495 HG21 ILE 67 1HG2 ILE 67 -4.285 -1.695 -2.999 496 HG22 ILE 67 2HG2 ILE 67 -5.389 -2.063 -1.675 497 HG23 ILE 67 3HG2 ILE 67 -3.992 -3.098 -1.971 498 HD11 ILE 67 3HD1 ILE 67 -6.730 -0.548 -4.067 499 HD12 ILE 67 1HD1 ILE 67 -7.917 -1.496 -4.963 500 HD13 ILE 67 2HD1 ILE 67 -7.632 -1.827 -3.254 501 H LEU 68 H LEU 68 -6.133 -5.519 -1.967 502 HA LEU 68 HA LEU 68 -4.521 -5.818 0.148 503 HB2 LEU 68 1HB LEU 68 -6.540 -7.758 -0.938 504 HB3 LEU 68 2HB LEU 68 -5.729 -8.019 0.605 505 HG LEU 68 HG LEU 68 -7.379 -5.575 -0.013 506 HD11 LEU 68 1HD1 LEU 68 -9.165 -6.611 1.265 507 HD12 LEU 68 2HD1 LEU 68 -8.206 -8.080 1.446 508 HD13 LEU 68 3HD1 LEU 68 -8.770 -7.586 -0.151 509 HD21 LEU 68 3HD2 LEU 68 -5.641 -6.329 2.130 510 HD22 LEU 68 1HD2 LEU 68 -7.295 -6.205 2.728 511 HD23 LEU 68 2HD2 LEU 68 -6.550 -4.834 1.906 512 H GLY 69 H GLY 69 -4.583 -8.029 -2.627 513 HA2 GLY 69 1HA GLY 69 -2.742 -9.909 -1.669 514 HA3 GLY 69 2HA GLY 69 -3.057 -9.576 -3.366 515 H GLY 70 H GLY 70 -2.157 -7.056 -3.728 516 HA2 GLY 70 1HA GLY 70 0.629 -7.405 -3.921 517 HA3 GLY 70 2HA GLY 70 -0.230 -5.894 -4.177 518 H VAL 71 H VAL 71 -1.338 -5.628 -1.582 519 HA VAL 71 HA VAL 71 0.719 -4.277 -0.260 520 HB VAL 71 HB VAL 71 -1.865 -5.330 0.901 521 HG11 VAL 71 1HG1 VAL 71 0.338 -3.739 2.028 522 HG12 VAL 71 2HG1 VAL 71 -1.282 -3.103 2.319 523 HG13 VAL 71 3HG1 VAL 71 -0.871 -4.739 2.833 524 HG21 VAL 71 3HG2 VAL 71 -1.213 -3.083 -0.853 525 HG22 VAL 71 1HG2 VAL 71 -2.764 -3.857 -0.528 526 HG23 VAL 71 2HG2 VAL 71 -2.144 -2.628 0.574 527 H GLU 72 H GLU 72 -0.781 -7.413 0.528 528 HA GLU 72 HA GLU 72 0.588 -8.102 2.781 529 HB2 GLU 72 1HB GLU 72 -0.068 -9.928 0.462 530 HB3 GLU 72 2HB GLU 72 0.329 -10.459 2.090 531 HG2 GLU 72 1HG GLU 72 -1.926 -8.558 1.728 532 HG3 GLU 72 2HG GLU 72 -2.159 -10.248 1.284 533 H GLN 73 H GLN 73 1.777 -8.134 -0.521 534 HA GLN 73 HA GLN 73 4.197 -9.522 0.033 535 HB2 GLN 73 1HB GLN 73 3.484 -7.665 -2.243 536 HB3 GLN 73 2HB GLN 73 4.915 -8.686 -2.186 537 HG2 GLN 73 1HG GLN 73 2.042 -9.525 -2.386 538 HG3 GLN 73 2HG GLN 73 3.348 -9.807 -3.536 539 HE21 GLN 73 2HE2 GLN 73 4.522 -12.694 -2.000 540 HE22 GLN 73 1HE2 GLN 73 4.753 -11.485 -3.212 541 H LEU 74 H LEU 74 3.231 -6.157 0.105 542 HA LEU 74 HA LEU 74 5.819 -5.027 0.238 543 HB2 LEU 74 1HB LEU 74 3.067 -4.101 0.924 544 HB3 LEU 74 2HB LEU 74 4.453 -3.146 1.448 545 HG LEU 74 HG LEU 74 3.926 -3.887 -1.425 546 HD11 LEU 74 1HD1 LEU 74 2.188 -2.472 -1.220 547 HD12 LEU 74 2HD1 LEU 74 3.446 -1.239 -1.300 548 HD13 LEU 74 3HD1 LEU 74 2.810 -1.749 0.263 549 HD21 LEU 74 3HD2 LEU 74 5.627 -2.380 -1.972 550 HD22 LEU 74 1HD2 LEU 74 6.268 -3.270 -0.591 551 HD23 LEU 74 2HD2 LEU 74 5.619 -1.645 -0.368 552 H GLN 75 H GLN 75 3.432 -5.669 2.811 553 HA GLN 75 HA GLN 75 4.671 -4.874 5.044 554 HB2 GLN 75 1HB GLN 75 3.155 -7.403 4.498 555 HB3 GLN 75 2HB GLN 75 3.822 -7.101 6.097 556 HG2 GLN 75 1HG GLN 75 2.557 -5.005 6.215 557 HG3 GLN 75 2HG GLN 75 1.866 -5.345 4.630 558 HE21 GLN 75 2HE2 GLN 75 -0.752 -7.134 5.958 559 HE22 GLN 75 1HE2 GLN 75 -0.099 -6.131 4.712 560 H ALA 76 H ALA 76 5.724 -7.494 3.003 561 HA ALA 76 HA ALA 76 7.601 -8.605 4.844 562 HB1 ALA 76 3HB ALA 76 7.763 -8.876 1.859 563 HB2 ALA 76 1HB ALA 76 8.271 -10.020 3.102 564 HB3 ALA 76 2HB ALA 76 6.554 -9.739 2.810 565 H LEU 77 H LEU 77 8.277 -7.013 1.726 566 HA LEU 77 HA LEU 77 10.948 -6.472 2.200 567 HB2 LEU 77 1HB LEU 77 10.622 -4.604 0.514 568 HB3 LEU 77 2HB LEU 77 10.191 -6.234 0.001 569 HG LEU 77 HG LEU 77 7.782 -5.442 0.780 570 HD11 LEU 77 1HD1 LEU 77 8.292 -2.881 -0.401 571 HD12 LEU 77 2HD1 LEU 77 9.268 -3.081 1.054 572 HD13 LEU 77 3HD1 LEU 77 7.517 -3.271 1.135 573 HD21 LEU 77 3HD2 LEU 77 7.997 -6.205 -1.394 574 HD22 LEU 77 1HD2 LEU 77 9.229 -5.010 -1.802 575 HD23 LEU 77 2HD2 LEU 77 7.544 -4.516 -1.631 576 H SER 78 H SER 78 8.160 -4.323 2.725 577 HA SER 78 HA SER 78 9.313 -2.030 3.561 578 HB2 SER 78 1HB SER 78 6.966 -2.051 3.584 579 HB3 SER 78 2HB SER 78 6.896 -3.478 4.617 580 HG SER 78 HG SER 78 6.662 -1.052 5.418 581 H SER 79 H SER 79 8.708 -4.829 5.680 582 HA SER 79 HA SER 79 11.134 -4.458 7.114 583 HB2 SER 79 1HB SER 79 10.290 -3.748 9.249 584 HB3 SER 79 2HB SER 79 9.718 -2.592 8.046 585 HG SER 79 HG SER 79 7.705 -3.516 8.129 586 H ARG 80 H ARG 80 11.688 -6.510 7.378 587 HA ARG 80 HA ARG 80 9.793 -8.634 7.495 588 HB2 ARG 80 1HB ARG 80 12.774 -8.570 7.981 589 HB3 ARG 80 2HB ARG 80 11.817 -10.045 7.962 590 HG2 ARG 80 1HG ARG 80 11.180 -9.596 5.641 591 HG3 ARG 80 2HG ARG 80 12.162 -8.130 5.665 592 HD2 ARG 80 1HD ARG 80 13.431 -10.713 6.427 593 HD3 ARG 80 2HD ARG 80 13.105 -10.406 4.721 594 HE ARG 80 HE ARG 80 15.179 -9.264 6.277 595 HH11 ARG 80 2HH1 ARG 80 12.916 -8.519 3.738 596 HH12 ARG 80 1HH1 ARG 80 13.913 -7.292 3.031 597 HH21 ARG 80 1HH2 ARG 80 15.953 -6.800 3.950 598 HH22 ARG 80 2HH2 ARG 80 16.501 -7.651 5.354 599 H LEU 81 H LEU 81 8.502 -8.763 9.234 600 HA LEU 81 HA LEU 81 9.758 -8.629 11.896 601 HB2 LEU 81 1HB LEU 81 7.128 -7.730 10.855 602 HB3 LEU 81 2HB LEU 81 7.183 -8.352 12.503 603 HG LEU 81 HG LEU 81 8.920 -6.094 11.519 604 HD11 LEU 81 1HD1 LEU 81 6.183 -6.073 12.745 605 HD12 LEU 81 2HD1 LEU 81 6.763 -5.220 11.315 606 HD13 LEU 81 3HD1 LEU 81 7.289 -4.711 12.919 607 HD21 LEU 81 3HD2 LEU 81 9.824 -6.087 13.555 608 HD22 LEU 81 1HD2 LEU 81 9.094 -7.677 13.778 609 HD23 LEU 81 2HD2 LEU 81 8.251 -6.234 14.340 610 H GLN 82 H GLN 82 10.353 -10.845 11.817 611 HA GLN 82 HA GLN 82 8.456 -12.918 11.378 612 HB2 GLN 82 1HB GLN 82 10.210 -14.402 12.309 613 HB3 GLN 82 2HB GLN 82 10.809 -13.346 11.037 614 HG2 GLN 82 1HG GLN 82 11.525 -11.800 12.973 615 HG3 GLN 82 2HG GLN 82 11.325 -13.235 13.978 616 HE21 GLN 82 2HE2 GLN 82 14.201 -14.843 12.837 617 HE22 GLN 82 1HE2 GLN 82 12.711 -14.980 13.700 618 H THR 83 H THR 83 6.716 -12.233 12.758 619 HA THR 83 HA THR 83 7.122 -12.267 15.623 620 HB THR 83 HB THR 83 5.499 -10.707 14.566 621 HG1 THR 83 1HG THR 83 3.878 -11.097 16.144 622 HG21 THR 83 3HG2 THR 83 3.841 -13.188 14.104 623 HG22 THR 83 1HG2 THR 83 4.667 -12.280 12.839 624 HG23 THR 83 2HG2 THR 83 3.368 -11.524 13.762 625 H GLU 84 H GLU 84 6.602 -13.874 17.014 626 HA GLU 84 HA GLU 84 6.336 -16.517 16.016 627 HB2 GLU 84 1HB GLU 84 7.470 -15.913 18.154 628 HB3 GLU 84 2HB GLU 84 5.895 -15.543 18.842 629 HG2 GLU 84 1HG GLU 84 6.431 -17.700 19.589 630 HG3 GLU 84 2HG GLU 84 5.241 -17.920 18.308 631 H ASN 85 H ASN 85 4.439 -16.493 14.747 632 HA ASN 85 HA ASN 85 2.023 -16.957 16.298 633 HB2 ASN 85 1HB ASN 85 2.195 -14.880 14.106 634 HB3 ASN 85 2HB ASN 85 0.680 -15.503 14.754 635 HD21 ASN 85 2HD2 ASN 85 0.844 -13.709 17.760 636 HD22 ASN 85 1HD2 ASN 85 0.163 -15.073 16.946 637 H SER 86 H SER 86 0.482 -18.240 15.234 638 HA SER 86 HA SER 86 1.597 -19.870 13.109 639 HB2 SER 86 1HB SER 86 -0.923 -20.107 14.763 640 HB3 SER 86 2HB SER 86 -0.496 -21.238 13.478 641 HG SER 86 HG SER 86 1.414 -20.693 15.443 642 H GLY 87 H GLY 87 1.150 -19.632 11.021 643 HA2 GLY 87 1HA GLY 87 -0.534 -17.552 10.079 644 HA3 GLY 87 2HA GLY 87 0.234 -18.785 9.090 645 HA PRO 88 HA PRO 88 -4.305 -19.508 8.819 646 HB2 PRO 88 2HB PRO 88 -4.371 -18.469 6.771 647 HB3 PRO 88 1HB PRO 88 -4.266 -20.131 6.177 648 HG2 PRO 88 1HG PRO 88 -1.983 -19.979 5.781 649 HG3 PRO 88 2HG PRO 88 -2.467 -18.306 5.446 650 HD2 PRO 88 1HD PRO 88 -0.558 -18.935 7.260 651 HD3 PRO 88 2HD PRO 88 -1.627 -17.529 7.447 652 H SER 89 H SER 89 -1.566 -21.334 8.834 653 HA SER 89 HA SER 89 -1.864 -23.717 7.681 654 HB2 SER 89 1HB SER 89 -0.960 -24.786 9.763 655 HB3 SER 89 2HB SER 89 -0.073 -23.349 9.255 656 HG SER 89 HG SER 89 -1.045 -23.765 11.603 657 H SER 90 H SER 90 -3.537 -22.895 10.720 658 HA SER 90 HA SER 90 -5.642 -24.809 9.972 659 HB2 SER 90 1HB SER 90 -5.836 -25.246 12.506 660 HB3 SER 90 2HB SER 90 -4.491 -26.000 11.648 661 HG SER 90 HG SER 90 -3.167 -24.285 12.388 662 H GLY 91 H GLY 91 -5.015 -21.701 10.311 663 HA2 GLY 91 1HA GLY 91 -7.280 -20.465 10.177 664 HA3 GLY 91 2HA GLY 91 -7.449 -21.043 11.829 Start of MODEL 6 1 H1 GLY 1 H GLY 1 12.967 17.191 2.080 2 HA2 GLY 1 1HA GLY 1 15.067 17.481 3.393 3 HA3 GLY 1 2HA GLY 1 15.406 15.801 3.005 4 H SER 2 H SER 2 17.378 16.354 2.028 5 HA SER 2 HA SER 2 17.745 18.282 0.048 6 HB2 SER 2 1HB SER 2 19.184 15.727 0.713 7 HB3 SER 2 2HB SER 2 19.672 16.699 -0.675 8 HG SER 2 HG SER 2 19.315 18.023 1.748 9 H SER 3 H SER 3 18.363 17.741 -2.272 10 HA SER 3 HA SER 3 16.088 16.478 -3.509 11 HB2 SER 3 1HB SER 3 17.477 18.609 -4.253 12 HB3 SER 3 2HB SER 3 18.442 17.402 -5.102 13 HG SER 3 HG SER 3 16.935 17.674 -6.563 14 H GLY 4 H GLY 4 15.969 14.399 -4.010 15 HA2 GLY 4 1HA GLY 4 16.642 12.392 -4.997 16 HA3 GLY 4 2HA GLY 4 18.284 13.011 -5.082 17 H SER 5 H SER 5 16.893 10.482 -3.987 18 HA SER 5 HA SER 5 18.692 10.149 -1.770 19 HB2 SER 5 1HB SER 5 16.901 11.218 -0.555 20 HB3 SER 5 2HB SER 5 15.703 10.157 -1.297 21 HG SER 5 HG SER 5 16.470 8.463 -0.122 22 H SER 6 H SER 6 19.407 8.121 -1.783 23 HA SER 6 HA SER 6 18.027 6.163 -3.445 24 HB2 SER 6 1HB SER 6 20.764 6.166 -2.157 25 HB3 SER 6 2HB SER 6 20.122 4.813 -3.088 26 HG SER 6 HG SER 6 20.809 7.402 -3.962 27 H GLY 7 H GLY 7 18.004 3.860 -2.646 28 HA2 GLY 7 1HA GLY 7 17.967 2.377 -0.722 29 HA3 GLY 7 2HA GLY 7 17.470 3.752 0.254 30 H MET 8 H MET 8 16.041 1.468 0.457 31 HA MET 8 HA MET 8 13.570 2.088 -1.025 32 HB2 MET 8 1HB MET 8 14.699 -0.102 -1.616 33 HB3 MET 8 2HB MET 8 14.333 -0.638 0.019 34 HG2 MET 8 1HG MET 8 12.133 0.406 -1.694 35 HG3 MET 8 2HG MET 8 12.749 -1.221 -1.972 36 HE1 MET 8 3HE MET 8 9.863 0.230 -0.846 37 HE2 MET 8 1HE MET 8 9.836 -1.442 -1.405 38 HE3 MET 8 2HE MET 8 9.244 -1.042 0.208 39 H GLU 9 H GLU 9 12.953 3.514 0.683 40 HA GLU 9 HA GLU 9 12.789 2.795 3.386 41 HB2 GLU 9 1HB GLU 9 11.695 4.790 3.707 42 HB3 GLU 9 2HB GLU 9 12.463 5.101 2.157 43 HG2 GLU 9 1HG GLU 9 10.384 4.526 1.010 44 HG3 GLU 9 2HG GLU 9 9.614 4.223 2.566 45 HA PRO 10 HA PRO 10 9.355 0.078 3.676 46 HB2 PRO 10 2HB PRO 10 9.846 -0.109 5.913 47 HB3 PRO 10 1HB PRO 10 8.331 0.784 6.089 48 HG2 PRO 10 1HG PRO 10 9.414 2.815 6.386 49 HG3 PRO 10 2HG PRO 10 10.595 1.724 7.133 50 HD2 PRO 10 1HD PRO 10 11.245 3.415 5.121 51 HD3 PRO 10 2HD PRO 10 12.027 1.835 5.331 52 H VAL 11 H VAL 11 7.125 -0.050 3.413 53 HA VAL 11 HA VAL 11 5.858 2.231 2.284 54 HB VAL 11 HB VAL 11 4.613 -0.398 3.102 55 HG11 VAL 11 1HG1 VAL 11 3.022 1.472 2.737 56 HG12 VAL 11 2HG1 VAL 11 3.650 1.636 1.095 57 HG13 VAL 11 3HG1 VAL 11 2.832 0.151 1.584 58 HG21 VAL 11 3HG2 VAL 11 4.860 -0.416 0.372 59 HG22 VAL 11 1HG2 VAL 11 6.360 0.355 0.887 60 HG23 VAL 11 2HG2 VAL 11 5.933 -1.242 1.502 61 H GLU 12 H GLU 12 5.911 0.816 5.455 62 HA GLU 12 HA GLU 12 3.534 1.940 6.476 63 HB2 GLU 12 1HB GLU 12 4.204 1.143 8.529 64 HB3 GLU 12 2HB GLU 12 5.160 0.126 7.460 65 HG2 GLU 12 1HG GLU 12 7.028 1.800 7.747 66 HG3 GLU 12 2HG GLU 12 6.065 2.513 9.038 67 H THR 13 H THR 13 6.570 3.314 5.701 68 HA THR 13 HA THR 13 6.055 5.685 7.349 69 HB THR 13 HB THR 13 8.337 6.376 6.817 70 HG1 THR 13 1HG THR 13 8.264 4.074 5.159 71 HG21 THR 13 3HG2 THR 13 7.915 3.601 7.875 72 HG22 THR 13 1HG2 THR 13 8.291 5.080 8.758 73 HG23 THR 13 2HG2 THR 13 9.532 4.297 7.779 74 H TRP 14 H TRP 14 5.840 4.534 4.141 75 HA TRP 14 HA TRP 14 6.298 6.749 2.571 76 HB2 TRP 14 1HB TRP 14 4.214 4.580 2.314 77 HB3 TRP 14 2HB TRP 14 4.480 5.798 1.071 78 HD1 TRP 14 HD TRP 14 7.718 4.873 2.587 79 HE1 TRP 14 1HE TRP 14 8.993 3.233 1.067 80 HE3 TRP 14 3HE TRP 14 3.929 3.615 -0.607 81 HZ2 TRP 14 2HZ TRP 14 8.462 1.620 -1.188 82 HZ3 TRP 14 3HZ TRP 14 4.396 2.017 -2.419 83 HH2 TRP 14 HH TRP 14 6.617 1.042 -2.702 84 H THR 15 H THR 15 4.863 8.329 1.642 85 HA THR 15 HA THR 15 3.039 9.415 3.630 86 HB THR 15 HB THR 15 2.905 11.296 1.803 87 HG1 THR 15 1HG THR 15 4.225 9.747 0.387 88 HG21 THR 15 3HG2 THR 15 3.940 12.118 3.633 89 HG22 THR 15 1HG2 THR 15 5.403 11.900 2.673 90 HG23 THR 15 2HG2 THR 15 4.928 10.674 3.848 91 HA PRO 16 HA PRO 16 -0.726 8.311 1.662 92 HB2 PRO 16 2HB PRO 16 -1.815 9.397 3.369 93 HB3 PRO 16 1HB PRO 16 -2.246 10.522 2.076 94 HG2 PRO 16 1HG PRO 16 -0.580 12.030 2.659 95 HG3 PRO 16 2HG PRO 16 -0.979 11.376 4.258 96 HD2 PRO 16 1HD PRO 16 1.535 11.336 3.255 97 HD3 PRO 16 2HD PRO 16 0.920 10.072 4.339 98 H GLY 17 H GLY 17 1.331 10.509 0.326 99 HA2 GLY 17 1HA GLY 17 -0.498 11.222 -1.868 100 HA3 GLY 17 2HA GLY 17 1.019 12.031 -1.507 101 H LYS 18 H LYS 18 2.048 9.108 -1.093 102 HA LYS 18 HA LYS 18 2.900 8.812 -3.870 103 HB2 LYS 18 1HB LYS 18 3.878 7.431 -1.364 104 HB3 LYS 18 2HB LYS 18 4.587 7.264 -2.965 105 HG2 LYS 18 1HG LYS 18 5.434 9.431 -2.951 106 HG3 LYS 18 2HG LYS 18 4.351 9.947 -1.656 107 HD2 LYS 18 1HD LYS 18 6.413 9.728 -0.591 108 HD3 LYS 18 2HD LYS 18 5.591 8.212 -0.214 109 HE2 LYS 18 1HE LYS 18 7.697 7.492 -0.849 110 HE3 LYS 18 2HE LYS 18 6.777 7.330 -2.344 111 HZ1 LYS 18 3HZ LYS 18 8.842 9.296 -1.639 112 HZ2 LYS 18 1HZ LYS 18 7.641 9.733 -2.747 113 HZ3 LYS 18 2HZ LYS 18 8.645 8.410 -3.067 114 H VAL 19 H VAL 19 1.230 7.037 -1.325 115 HA VAL 19 HA VAL 19 1.042 4.515 -2.347 116 HB VAL 19 HB VAL 19 -1.182 6.087 -1.040 117 HG11 VAL 19 1HG1 VAL 19 -1.874 4.014 -2.314 118 HG12 VAL 19 2HG1 VAL 19 -0.913 3.093 -1.156 119 HG13 VAL 19 3HG1 VAL 19 -2.290 4.046 -0.601 120 HG21 VAL 19 3HG2 VAL 19 1.185 5.565 0.065 121 HG22 VAL 19 1HG2 VAL 19 -0.317 5.530 0.988 122 HG23 VAL 19 2HG2 VAL 19 0.391 4.026 0.399 123 H ALA 20 H ALA 20 -0.652 7.386 -3.444 124 HA ALA 20 HA ALA 20 -2.579 6.193 -5.078 125 HB1 ALA 20 3HB ALA 20 -1.799 8.555 -6.363 126 HB2 ALA 20 1HB ALA 20 -3.126 8.339 -5.221 127 HB3 ALA 20 2HB ALA 20 -1.535 8.832 -4.641 128 H THR 21 H THR 21 0.810 6.927 -5.666 129 HA THR 21 HA THR 21 0.723 6.320 -8.461 130 HB THR 21 HB THR 21 3.126 6.440 -6.629 131 HG1 THR 21 1HG THR 21 1.598 8.395 -7.930 132 HG21 THR 21 3HG2 THR 21 3.347 7.118 -9.490 133 HG22 THR 21 1HG2 THR 21 3.062 5.416 -9.132 134 HG23 THR 21 2HG2 THR 21 4.462 6.239 -8.444 135 H TRP 22 H TRP 22 1.376 4.523 -5.529 136 HA TRP 22 HA TRP 22 2.392 2.211 -6.917 137 HB2 TRP 22 1HB TRP 22 3.158 2.740 -4.645 138 HB3 TRP 22 2HB TRP 22 1.515 2.547 -4.040 139 HD1 TRP 22 HD TRP 22 4.545 0.537 -5.176 140 HE1 TRP 22 1HE TRP 22 4.187 -1.934 -4.549 141 HE3 TRP 22 3HE TRP 22 -0.335 0.779 -3.669 142 HZ2 TRP 22 2HZ TRP 22 2.112 -3.565 -3.548 143 HZ3 TRP 22 3HZ TRP 22 -1.433 -1.281 -2.892 144 HH2 TRP 22 HH TRP 22 -0.233 -3.407 -2.834 145 H LEU 23 H LEU 23 -0.685 3.451 -6.126 146 HA LEU 23 HA LEU 23 -1.995 0.852 -6.231 147 HB2 LEU 23 1HB LEU 23 -2.855 3.637 -5.602 148 HB3 LEU 23 2HB LEU 23 -4.066 2.457 -6.098 149 HG LEU 23 HG LEU 23 -2.207 2.048 -3.762 150 HD11 LEU 23 1HD1 LEU 23 -3.642 3.078 -2.352 151 HD12 LEU 23 2HD1 LEU 23 -5.059 2.678 -3.322 152 HD13 LEU 23 3HD1 LEU 23 -4.017 4.020 -3.795 153 HD21 LEU 23 3HD2 LEU 23 -3.017 -0.019 -3.849 154 HD22 LEU 23 1HD2 LEU 23 -4.137 0.412 -5.141 155 HD23 LEU 23 2HD2 LEU 23 -4.603 0.648 -3.456 156 H ARG 24 H ARG 24 -1.635 3.774 -8.157 157 HA ARG 24 HA ARG 24 -3.529 3.062 -10.152 158 HB2 ARG 24 1HB ARG 24 -2.630 4.894 -11.426 159 HB3 ARG 24 2HB ARG 24 -2.717 5.382 -9.739 160 HG2 ARG 24 1HG ARG 24 -0.648 6.165 -10.322 161 HG3 ARG 24 2HG ARG 24 -0.235 4.574 -9.680 162 HD2 ARG 24 1HD ARG 24 0.054 3.665 -11.826 163 HD3 ARG 24 2HD ARG 24 -0.780 5.012 -12.599 164 HE ARG 24 HE ARG 24 1.477 6.017 -11.298 165 HH11 ARG 24 2HH1 ARG 24 0.677 3.932 -13.968 166 HH12 ARG 24 1HH1 ARG 24 2.118 4.300 -14.857 167 HH21 ARG 24 1HH2 ARG 24 3.654 5.765 -13.997 168 HH22 ARG 24 2HH2 ARG 24 3.379 6.509 -12.458 169 H GLY 25 H GLY 25 -0.277 2.128 -9.514 170 HA2 GLY 25 1HA GLY 25 0.206 1.207 -12.233 171 HA3 GLY 25 2HA GLY 25 1.320 1.093 -10.879 172 H LEU 26 H LEU 26 -0.791 -0.102 -9.160 173 HA LEU 26 HA LEU 26 -0.171 -2.758 -9.360 174 HB2 LEU 26 1HB LEU 26 -2.441 -1.256 -8.183 175 HB3 LEU 26 2HB LEU 26 -2.614 -3.004 -8.329 176 HG LEU 26 HG LEU 26 -0.165 -1.915 -7.026 177 HD11 LEU 26 1HD1 LEU 26 -2.839 -1.362 -6.124 178 HD12 LEU 26 2HD1 LEU 26 -1.295 -0.848 -5.444 179 HD13 LEU 26 3HD1 LEU 26 -1.994 -2.397 -4.973 180 HD21 LEU 26 3HD2 LEU 26 -0.811 -4.393 -7.564 181 HD22 LEU 26 1HD2 LEU 26 -1.797 -4.237 -6.110 182 HD23 LEU 26 2HD2 LEU 26 -0.054 -3.981 -6.025 183 H ASP 27 H ASP 27 -3.034 -1.166 -10.749 184 HA ASP 27 HA ASP 27 -3.024 -2.814 -13.056 185 HB2 ASP 27 1HB ASP 27 -4.766 -3.600 -10.770 186 HB3 ASP 27 2HB ASP 27 -5.446 -3.710 -12.392 187 H ASP 28 H ASP 28 -4.948 -2.403 -14.447 188 HA ASP 28 HA ASP 28 -5.616 0.398 -14.335 189 HB2 ASP 28 1HB ASP 28 -6.395 -1.762 -16.305 190 HB3 ASP 28 2HB ASP 28 -6.763 -0.051 -16.496 191 H SER 29 H SER 29 -7.146 -2.614 -13.560 192 HA SER 29 HA SER 29 -9.840 -1.806 -13.670 193 HB2 SER 29 1HB SER 29 -8.366 -3.981 -12.220 194 HB3 SER 29 2HB SER 29 -10.070 -3.689 -11.870 195 HG SER 29 HG SER 29 -10.317 -4.970 -13.535 196 H LEU 30 H LEU 30 -7.327 -0.969 -11.530 197 HA LEU 30 HA LEU 30 -9.241 -0.030 -9.504 198 HB2 LEU 30 1HB LEU 30 -6.264 -0.108 -9.157 199 HB3 LEU 30 2HB LEU 30 -7.518 -0.069 -7.920 200 HG LEU 30 HG LEU 30 -7.060 -2.436 -9.725 201 HD11 LEU 30 1HD1 LEU 30 -5.736 -1.646 -7.174 202 HD12 LEU 30 2HD1 LEU 30 -5.058 -2.427 -8.601 203 HD13 LEU 30 3HD1 LEU 30 -6.067 -3.349 -7.488 204 HD21 LEU 30 3HD2 LEU 30 -9.057 -2.955 -8.845 205 HD22 LEU 30 1HD2 LEU 30 -8.914 -1.755 -7.560 206 HD23 LEU 30 2HD2 LEU 30 -8.133 -3.327 -7.389 207 H GLN 31 H GLN 31 -7.033 0.982 -11.931 208 HA GLN 31 HA GLN 31 -6.222 3.479 -11.098 209 HB2 GLN 31 1HB GLN 31 -6.794 2.260 -13.752 210 HB3 GLN 31 2HB GLN 31 -6.594 4.006 -13.687 211 HG2 GLN 31 1HG GLN 31 -4.556 2.294 -12.366 212 HG3 GLN 31 2HG GLN 31 -4.561 2.406 -14.125 213 HE21 GLN 31 2HE2 GLN 31 -2.400 5.106 -13.639 214 HE22 GLN 31 1HE2 GLN 31 -2.558 3.449 -14.103 215 H ASP 32 H ASP 32 -9.392 2.409 -11.894 216 HA ASP 32 HA ASP 32 -10.549 4.908 -12.560 217 HB2 ASP 32 1HB ASP 32 -11.603 2.239 -11.716 218 HB3 ASP 32 2HB ASP 32 -12.690 3.625 -11.703 219 H TYR 33 H TYR 33 -10.488 3.057 -9.520 220 HA TYR 33 HA TYR 33 -11.931 4.790 -7.924 221 HB2 TYR 33 1HB TYR 33 -9.612 2.978 -7.256 222 HB3 TYR 33 2HB TYR 33 -10.513 3.859 -6.027 223 HD1 TYR 33 2HD TYR 33 -12.985 3.400 -5.778 224 HD2 TYR 33 1HD TYR 33 -10.431 0.953 -8.143 225 HE1 TYR 33 2HE TYR 33 -14.652 1.593 -5.699 226 HE2 TYR 33 1HE TYR 33 -12.092 -0.860 -8.071 227 HH TYR 33 HH TYR 33 -14.394 -1.233 -7.671 228 HA PRO 34 HA PRO 34 -9.414 8.427 -7.789 229 HB2 PRO 34 2HB PRO 34 -11.370 9.565 -7.390 230 HB3 PRO 34 1HB PRO 34 -10.714 9.662 -5.751 231 HG2 PRO 34 1HG PRO 34 -12.008 7.891 -4.991 232 HG3 PRO 34 2HG PRO 34 -13.108 8.581 -6.198 233 HD2 PRO 34 1HD PRO 34 -12.329 5.989 -6.252 234 HD3 PRO 34 2HD PRO 34 -12.681 6.911 -7.728 235 H PHE 35 H PHE 35 -7.521 7.264 -7.039 236 HA PHE 35 HA PHE 35 -7.100 6.664 -4.300 237 HB2 PHE 35 1HB PHE 35 -5.055 7.142 -6.479 238 HB3 PHE 35 2HB PHE 35 -4.750 6.361 -4.931 239 HD1 PHE 35 2HD PHE 35 -6.758 4.452 -4.528 240 HD2 PHE 35 1HD PHE 35 -5.004 5.657 -8.214 241 HE1 PHE 35 2HE PHE 35 -7.340 2.274 -5.513 242 HE2 PHE 35 1HE PHE 35 -5.584 3.481 -9.205 243 HZ PHE 35 HZ PHE 35 -6.752 1.786 -7.854 244 H GLU 36 H GLU 36 -6.540 9.500 -6.276 245 HA GLU 36 HA GLU 36 -4.853 10.893 -4.494 246 HB2 GLU 36 1HB GLU 36 -6.616 11.696 -6.778 247 HB3 GLU 36 2HB GLU 36 -5.893 12.935 -5.762 248 HG2 GLU 36 1HG GLU 36 -3.667 11.850 -6.235 249 HG3 GLU 36 2HG GLU 36 -4.496 10.891 -7.459 250 H ASP 37 H ASP 37 -8.198 10.201 -4.408 251 HA ASP 37 HA ASP 37 -8.811 12.403 -2.600 252 HB2 ASP 37 1HB ASP 37 -10.512 10.218 -3.808 253 HB3 ASP 37 2HB ASP 37 -11.124 11.383 -2.638 254 H TRP 38 H TRP 38 -8.230 8.963 -2.556 255 HA TRP 38 HA TRP 38 -9.288 8.262 -0.091 256 HB2 TRP 38 1HB TRP 38 -6.856 7.255 -1.566 257 HB3 TRP 38 2HB TRP 38 -7.410 6.534 -0.057 258 HD1 TRP 38 HD TRP 38 -10.006 7.690 -2.592 259 HE1 TRP 38 1HE TRP 38 -11.182 5.625 -3.580 260 HE3 TRP 38 3HE TRP 38 -7.032 4.035 -0.608 261 HZ2 TRP 38 2HZ TRP 38 -10.888 2.818 -3.526 262 HZ3 TRP 38 3HZ TRP 38 -7.548 1.686 -1.125 263 HH2 TRP 38 HH TRP 38 -9.437 1.092 -2.554 264 H GLN 39 H GLN 39 -6.193 9.781 -0.855 265 HA GLN 39 HA GLN 39 -4.532 10.622 0.475 266 HB2 GLN 39 1HB GLN 39 -6.970 11.464 2.051 267 HB3 GLN 39 2HB GLN 39 -5.357 12.134 2.260 268 HG2 GLN 39 1HG GLN 39 -6.726 12.203 -0.400 269 HG3 GLN 39 2HG GLN 39 -7.053 13.422 0.832 270 HE21 GLN 39 2HE2 GLN 39 -3.900 14.978 0.577 271 HE22 GLN 39 1HE2 GLN 39 -5.232 14.657 1.629 272 H LEU 40 H LEU 40 -4.862 7.924 0.946 273 HA LEU 40 HA LEU 40 -4.851 7.582 3.848 274 HB2 LEU 40 1HB LEU 40 -6.160 5.996 2.583 275 HB3 LEU 40 2HB LEU 40 -4.763 5.589 1.589 276 HG LEU 40 HG LEU 40 -3.723 4.844 3.870 277 HD11 LEU 40 1HD1 LEU 40 -5.978 3.762 4.988 278 HD12 LEU 40 2HD1 LEU 40 -6.504 5.388 4.553 279 HD13 LEU 40 3HD1 LEU 40 -5.100 5.166 5.597 280 HD21 LEU 40 3HD2 LEU 40 -4.886 3.550 1.754 281 HD22 LEU 40 1HD2 LEU 40 -5.763 2.891 3.135 282 HD23 LEU 40 2HD2 LEU 40 -4.004 2.775 3.072 283 HA PRO 41 HA PRO 41 -0.409 7.825 3.826 284 HB2 PRO 41 2HB PRO 41 -0.612 8.826 5.884 285 HB3 PRO 41 1HB PRO 41 -0.078 7.242 6.456 286 HG2 PRO 41 1HG PRO 41 -2.236 6.560 6.973 287 HG3 PRO 41 2HG PRO 41 -2.372 8.295 7.308 288 HD2 PRO 41 1HD PRO 41 -4.020 7.011 5.586 289 HD3 PRO 41 2HD PRO 41 -3.543 8.707 5.366 290 H GLY 42 H GLY 42 1.376 6.407 4.058 291 HA2 GLY 42 1HA GLY 42 0.966 3.768 3.281 292 HA3 GLY 42 2HA GLY 42 2.460 4.386 3.970 293 H LYS 43 H LYS 43 1.584 5.060 6.525 294 HA LYS 43 HA LYS 43 1.952 2.784 7.977 295 HB2 LYS 43 1HB LYS 43 1.033 3.950 9.891 296 HB3 LYS 43 2HB LYS 43 1.962 5.077 8.911 297 HG2 LYS 43 1HG LYS 43 -0.306 5.675 7.845 298 HG3 LYS 43 2HG LYS 43 -1.002 4.883 9.260 299 HD2 LYS 43 1HD LYS 43 1.127 6.946 9.627 300 HD3 LYS 43 2HD LYS 43 -0.527 7.457 9.283 301 HE2 LYS 43 1HE LYS 43 -1.328 6.210 11.215 302 HE3 LYS 43 2HE LYS 43 0.308 5.640 11.543 303 HZ1 LYS 43 3HZ LYS 43 -0.865 8.278 11.992 304 HZ2 LYS 43 1HZ LYS 43 0.768 8.219 11.555 305 HZ3 LYS 43 2HZ LYS 43 0.233 7.408 12.939 306 H ASN 44 H ASN 44 -1.134 4.092 6.844 307 HA ASN 44 HA ASN 44 -2.646 1.953 8.059 308 HB2 ASN 44 1HB ASN 44 -3.289 4.386 6.456 309 HB3 ASN 44 2HB ASN 44 -4.469 3.080 6.488 310 HD21 ASN 44 2HD2 ASN 44 -4.555 5.674 9.382 311 HD22 ASN 44 1HD2 ASN 44 -3.981 5.909 7.770 312 H LEU 45 H LEU 45 -1.409 2.784 4.881 313 HA LEU 45 HA LEU 45 -2.801 1.132 3.212 314 HB2 LEU 45 1HB LEU 45 -1.093 2.610 2.392 315 HB3 LEU 45 2HB LEU 45 0.157 1.702 3.241 316 HG LEU 45 HG LEU 45 -0.350 -0.238 1.744 317 HD11 LEU 45 1HD1 LEU 45 -2.605 1.218 1.100 318 HD12 LEU 45 2HD1 LEU 45 -2.007 -0.212 0.259 319 HD13 LEU 45 3HD1 LEU 45 -1.572 1.396 -0.318 320 HD21 LEU 45 3HD2 LEU 45 0.355 1.920 -0.124 321 HD22 LEU 45 1HD2 LEU 45 1.237 0.456 0.309 322 HD23 LEU 45 2HD2 LEU 45 1.303 1.869 1.363 323 H LEU 46 H LEU 46 -0.087 0.231 5.306 324 HA LEU 46 HA LEU 46 -0.157 -2.525 4.490 325 HB2 LEU 46 1HB LEU 46 1.268 -1.119 6.742 326 HB3 LEU 46 2HB LEU 46 1.459 -2.831 6.369 327 HG LEU 46 HG LEU 46 2.199 -0.543 4.545 328 HD11 LEU 46 1HD1 LEU 46 4.478 -1.076 5.043 329 HD12 LEU 46 2HD1 LEU 46 3.992 -2.444 6.044 330 HD13 LEU 46 3HD1 LEU 46 3.630 -0.798 6.565 331 HD21 LEU 46 3HD2 LEU 46 3.431 -2.536 3.416 332 HD22 LEU 46 1HD2 LEU 46 1.717 -2.272 3.094 333 HD23 LEU 46 2HD2 LEU 46 2.217 -3.516 4.240 334 H GLN 47 H GLN 47 -1.677 -0.588 6.914 335 HA GLN 47 HA GLN 47 -2.570 -2.954 8.389 336 HB2 GLN 47 1HB GLN 47 -2.935 -0.019 9.014 337 HB3 GLN 47 2HB GLN 47 -3.425 -1.354 10.049 338 HG2 GLN 47 1HG GLN 47 -0.871 -1.995 9.811 339 HG3 GLN 47 2HG GLN 47 -0.724 -0.266 9.500 340 HE21 GLN 47 2HE2 GLN 47 -1.992 0.594 12.783 341 HE22 GLN 47 1HE2 GLN 47 -2.271 0.993 11.126 342 H LEU 48 H LEU 48 -3.508 -2.025 5.660 343 HA LEU 48 HA LEU 48 -6.205 -1.149 5.985 344 HB2 LEU 48 1HB LEU 48 -4.499 -2.062 3.735 345 HB3 LEU 48 2HB LEU 48 -6.247 -2.134 3.516 346 HG LEU 48 HG LEU 48 -4.707 0.361 4.227 347 HD11 LEU 48 1HD1 LEU 48 -4.199 -0.555 1.961 348 HD12 LEU 48 2HD1 LEU 48 -4.953 1.039 1.954 349 HD13 LEU 48 3HD1 LEU 48 -5.912 -0.391 1.572 350 HD21 LEU 48 3HD2 LEU 48 -7.363 0.571 3.028 351 HD22 LEU 48 1HD2 LEU 48 -6.666 1.426 4.404 352 HD23 LEU 48 2HD2 LEU 48 -7.358 -0.181 4.623 353 H CYS 49 H CYS 49 -7.916 -2.575 4.682 354 HA CYS 49 HA CYS 49 -7.741 -5.393 4.989 355 HB2 CYS 49 1HB CYS 49 -9.743 -5.350 6.706 356 HB3 CYS 49 2HB CYS 49 -8.076 -5.285 7.266 357 HG CYS 49 HG CYS 49 -8.050 -2.596 7.809 358 HA PRO 50 HA PRO 50 -11.098 -5.269 2.171 359 HB2 PRO 50 2HB PRO 50 -10.864 -7.543 1.949 360 HB3 PRO 50 1HB PRO 50 -12.431 -7.557 2.767 361 HG2 PRO 50 1HG PRO 50 -11.490 -8.021 4.837 362 HG3 PRO 50 2HG PRO 50 -10.354 -8.881 3.781 363 HD2 PRO 50 1HD PRO 50 -9.554 -6.996 5.552 364 HD3 PRO 50 2HD PRO 50 -8.726 -7.265 4.004 365 H GLN 51 H GLN 51 -11.648 -5.120 5.524 366 HA GLN 51 HA GLN 51 -14.532 -4.833 5.292 367 HB2 GLN 51 1HB GLN 51 -12.660 -4.682 7.656 368 HB3 GLN 51 2HB GLN 51 -14.397 -4.435 7.771 369 HG2 GLN 51 1HG GLN 51 -13.411 -6.929 6.497 370 HG3 GLN 51 2HG GLN 51 -13.292 -6.774 8.249 371 HE21 GLN 51 2HE2 GLN 51 -16.482 -8.174 8.315 372 HE22 GLN 51 1HE2 GLN 51 -14.794 -8.394 8.610 373 H SER 52 H SER 52 -11.676 -2.862 5.653 374 HA SER 52 HA SER 52 -13.202 -0.458 6.206 375 HB2 SER 52 1HB SER 52 -10.777 -1.109 7.030 376 HB3 SER 52 2HB SER 52 -10.297 -0.395 5.490 377 HG SER 52 HG SER 52 -11.071 0.824 7.770 378 H LEU 53 H LEU 53 -11.195 -1.746 3.575 379 HA LEU 53 HA LEU 53 -11.184 0.306 1.793 380 HB2 LEU 53 1HB LEU 53 -11.381 -2.648 1.457 381 HB3 LEU 53 2HB LEU 53 -11.529 -1.618 0.035 382 HG LEU 53 HG LEU 53 -9.179 -1.252 1.834 383 HD11 LEU 53 1HD1 LEU 53 -8.026 -2.959 0.296 384 HD12 LEU 53 2HD1 LEU 53 -9.652 -3.575 0.002 385 HD13 LEU 53 3HD1 LEU 53 -8.996 -3.562 1.639 386 HD21 LEU 53 3HD2 LEU 53 -8.689 -1.285 -0.994 387 HD22 LEU 53 1HD2 LEU 53 -8.495 0.034 0.160 388 HD23 LEU 53 2HD2 LEU 53 -10.052 -0.227 -0.626 389 H GLU 54 H GLU 54 -13.888 -1.799 2.568 390 HA GLU 54 HA GLU 54 -15.626 -1.222 0.499 391 HB2 GLU 54 1HB GLU 54 -16.405 -1.540 3.401 392 HB3 GLU 54 2HB GLU 54 -17.428 -1.826 2.000 393 HG2 GLU 54 1HG GLU 54 -15.946 -3.667 1.321 394 HG3 GLU 54 2HG GLU 54 -14.983 -3.401 2.774 395 H ALA 55 H ALA 55 -14.982 0.632 3.438 396 HA ALA 55 HA ALA 55 -16.985 2.543 3.240 397 HB1 ALA 55 3HB ALA 55 -15.168 4.044 4.369 398 HB2 ALA 55 1HB ALA 55 -15.828 2.650 5.224 399 HB3 ALA 55 2HB ALA 55 -14.253 2.538 4.438 400 H LEU 56 H LEU 56 -13.940 2.288 1.520 401 HA LEU 56 HA LEU 56 -14.249 4.906 0.304 402 HB2 LEU 56 1HB LEU 56 -12.218 2.776 -0.331 403 HB3 LEU 56 2HB LEU 56 -12.140 4.485 -0.754 404 HG LEU 56 HG LEU 56 -12.039 3.430 2.070 405 HD11 LEU 56 1HD1 LEU 56 -9.924 2.880 1.705 406 HD12 LEU 56 2HD1 LEU 56 -9.584 4.566 1.318 407 HD13 LEU 56 3HD1 LEU 56 -10.025 3.440 0.035 408 HD21 LEU 56 3HD2 LEU 56 -10.960 5.805 2.282 409 HD22 LEU 56 1HD2 LEU 56 -12.714 5.616 2.281 410 HD23 LEU 56 2HD2 LEU 56 -11.883 6.131 0.813 411 H ALA 57 H ALA 57 -16.235 2.764 -0.165 412 HA ALA 57 HA ALA 57 -17.555 2.064 -1.885 413 HB1 ALA 57 3HB ALA 57 -16.531 3.140 -4.216 414 HB2 ALA 57 1HB ALA 57 -17.781 3.851 -3.195 415 HB3 ALA 57 2HB ALA 57 -16.094 4.319 -2.980 416 H VAL 58 H VAL 58 -15.067 0.670 -1.113 417 HA VAL 58 HA VAL 58 -14.565 -0.788 -3.626 418 HB VAL 58 HB VAL 58 -12.717 -0.616 -1.242 419 HG11 VAL 58 1HG1 VAL 58 -11.433 -1.376 -3.664 420 HG12 VAL 58 2HG1 VAL 58 -11.610 -2.300 -2.171 421 HG13 VAL 58 3HG1 VAL 58 -12.840 -2.411 -3.430 422 HG21 VAL 58 3HG2 VAL 58 -12.350 1.463 -2.043 423 HG22 VAL 58 1HG2 VAL 58 -11.381 0.605 -3.241 424 HG23 VAL 58 2HG2 VAL 58 -13.032 1.090 -3.626 425 H ARG 59 H ARG 59 -16.383 -2.147 -3.243 426 HA ARG 59 HA ARG 59 -16.157 -3.947 -0.934 427 HB2 ARG 59 1HB ARG 59 -18.441 -3.240 -2.763 428 HB3 ARG 59 2HB ARG 59 -18.498 -4.658 -1.725 429 HG2 ARG 59 1HG ARG 59 -18.337 -3.312 0.241 430 HG3 ARG 59 2HG ARG 59 -18.029 -1.862 -0.718 431 HD2 ARG 59 1HD ARG 59 -20.332 -1.896 0.045 432 HD3 ARG 59 2HD ARG 59 -20.265 -2.059 -1.709 433 HE ARG 59 HE ARG 59 -20.390 -4.562 -0.288 434 HH11 ARG 59 2HH1 ARG 59 -22.211 -1.975 -1.740 435 HH12 ARG 59 1HH1 ARG 59 -23.635 -2.934 -1.976 436 HH21 ARG 59 1HH2 ARG 59 -23.660 -5.130 -1.322 437 HH22 ARG 59 2HH2 ARG 59 -22.258 -5.836 -0.593 438 H SER 60 H SER 60 -16.572 -3.953 -4.456 439 HA SER 60 HA SER 60 -16.782 -6.570 -5.076 440 HB2 SER 60 1HB SER 60 -16.547 -4.667 -6.705 441 HB3 SER 60 2HB SER 60 -14.802 -4.747 -6.458 442 HG SER 60 HG SER 60 -16.107 -7.121 -7.099 443 H LEU 61 H LEU 61 -15.748 -8.352 -4.501 444 HA LEU 61 HA LEU 61 -13.411 -8.416 -2.981 445 HB2 LEU 61 1HB LEU 61 -15.274 -10.211 -3.473 446 HB3 LEU 61 2HB LEU 61 -14.128 -10.738 -4.704 447 HG LEU 61 HG LEU 61 -14.032 -11.977 -2.519 448 HD11 LEU 61 1HD1 LEU 61 -12.052 -11.290 -4.271 449 HD12 LEU 61 2HD1 LEU 61 -11.899 -12.470 -2.970 450 HD13 LEU 61 3HD1 LEU 61 -11.363 -10.809 -2.721 451 HD21 LEU 61 3HD2 LEU 61 -13.295 -10.996 -0.573 452 HD22 LEU 61 1HD2 LEU 61 -14.289 -9.707 -1.254 453 HD23 LEU 61 2HD2 LEU 61 -12.533 -9.644 -1.413 454 H GLY 62 H GLY 62 -13.833 -9.281 -6.419 455 HA2 GLY 62 1HA GLY 62 -11.293 -9.921 -7.138 456 HA3 GLY 62 2HA GLY 62 -12.373 -9.016 -8.188 457 H HIS 63 H HIS 63 -12.551 -6.618 -6.812 458 HA HIS 63 HA HIS 63 -10.169 -5.335 -7.643 459 HB2 HIS 63 1HB HIS 63 -12.609 -4.444 -6.135 460 HB3 HIS 63 2HB HIS 63 -11.231 -3.363 -6.319 461 HD1 HIS 63 1HD HIS 63 -14.217 -3.205 -7.636 462 HD2 HIS 63 2HD HIS 63 -10.625 -4.119 -9.512 463 HE1 HIS 63 1HE HIS 63 -14.571 -2.664 -10.067 464 HE2 HIS 63 2HE HIS 63 -12.412 -3.306 -11.195 465 H GLN 64 H GLN 64 -11.449 -6.197 -4.455 466 HA GLN 64 HA GLN 64 -9.452 -4.964 -2.916 467 HB2 GLN 64 1HB GLN 64 -11.320 -7.263 -2.408 468 HB3 GLN 64 2HB GLN 64 -10.127 -6.784 -1.208 469 HG2 GLN 64 1HG GLN 64 -11.123 -4.699 -0.876 470 HG3 GLN 64 2HG GLN 64 -12.054 -4.808 -2.370 471 HE21 GLN 64 2HE2 GLN 64 -14.707 -5.526 -0.191 472 HE22 GLN 64 1HE2 GLN 64 -13.921 -4.308 -1.131 473 H GLU 65 H GLU 65 -9.641 -8.172 -4.376 474 HA GLU 65 HA GLU 65 -7.370 -9.287 -3.165 475 HB2 GLU 65 1HB GLU 65 -9.026 -10.622 -4.387 476 HB3 GLU 65 2HB GLU 65 -8.541 -9.857 -5.894 477 HG2 GLU 65 1HG GLU 65 -7.618 -12.146 -5.509 478 HG3 GLU 65 2HG GLU 65 -6.419 -10.900 -5.848 479 H LEU 66 H LEU 66 -7.745 -7.292 -6.042 480 HA LEU 66 HA LEU 66 -5.202 -7.568 -7.137 481 HB2 LEU 66 1HB LEU 66 -7.116 -5.249 -7.119 482 HB3 LEU 66 2HB LEU 66 -5.608 -5.234 -8.031 483 HG LEU 66 HG LEU 66 -7.793 -7.269 -8.446 484 HD11 LEU 66 1HD1 LEU 66 -8.536 -6.003 -10.319 485 HD12 LEU 66 2HD1 LEU 66 -7.227 -4.837 -10.127 486 HD13 LEU 66 3HD1 LEU 66 -8.515 -4.921 -8.926 487 HD21 LEU 66 3HD2 LEU 66 -5.120 -6.786 -9.577 488 HD22 LEU 66 1HD2 LEU 66 -6.396 -7.105 -10.752 489 HD23 LEU 66 2HD2 LEU 66 -6.062 -8.274 -9.474 490 H ILE 67 H ILE 67 -6.365 -5.094 -4.850 491 HA ILE 67 HA ILE 67 -3.748 -3.997 -4.463 492 HB ILE 67 HB ILE 67 -6.279 -3.599 -2.864 493 HG12 ILE 67 1HG1 ILE 67 -4.992 -1.813 -4.939 494 HG13 ILE 67 2HG1 ILE 67 -6.358 -2.877 -5.256 495 HG21 ILE 67 1HG2 ILE 67 -3.865 -1.812 -2.862 496 HG22 ILE 67 2HG2 ILE 67 -5.236 -1.809 -1.754 497 HG23 ILE 67 3HG2 ILE 67 -4.064 -3.126 -1.703 498 HD11 ILE 67 3HD1 ILE 67 -6.944 -0.487 -4.863 499 HD12 ILE 67 1HD1 ILE 67 -7.762 -1.632 -3.801 500 HD13 ILE 67 2HD1 ILE 67 -6.399 -0.689 -3.198 501 H LEU 68 H LEU 68 -5.971 -5.639 -2.200 502 HA LEU 68 HA LEU 68 -4.417 -5.980 -0.031 503 HB2 LEU 68 1HB LEU 68 -6.277 -7.943 -1.337 504 HB3 LEU 68 2HB LEU 68 -5.509 -8.271 0.215 505 HG LEU 68 HG LEU 68 -7.428 -6.023 -0.391 506 HD11 LEU 68 1HD1 LEU 68 -8.927 -7.208 1.116 507 HD12 LEU 68 2HD1 LEU 68 -7.734 -8.490 1.315 508 HD13 LEU 68 3HD1 LEU 68 -8.486 -8.223 -0.257 509 HD21 LEU 68 3HD2 LEU 68 -5.781 -6.690 2.021 510 HD22 LEU 68 1HD2 LEU 68 -7.319 -5.843 2.177 511 HD23 LEU 68 2HD2 LEU 68 -6.014 -5.133 1.226 512 H GLY 69 H GLY 69 -4.243 -7.955 -2.972 513 HA2 GLY 69 1HA GLY 69 -2.376 -9.838 -2.126 514 HA3 GLY 69 2HA GLY 69 -2.573 -9.301 -3.788 515 H GLY 70 H GLY 70 -1.725 -6.785 -3.859 516 HA2 GLY 70 1HA GLY 70 1.063 -6.991 -3.837 517 HA3 GLY 70 2HA GLY 70 0.163 -5.486 -3.957 518 H VAL 71 H VAL 71 -1.123 -5.524 -1.466 519 HA VAL 71 HA VAL 71 0.764 -4.316 0.178 520 HB VAL 71 HB VAL 71 -1.805 -5.644 1.054 521 HG11 VAL 71 1HG1 VAL 71 -1.351 -4.942 3.111 522 HG12 VAL 71 2HG1 VAL 71 0.245 -4.430 2.559 523 HG13 VAL 71 3HG1 VAL 71 -1.106 -3.296 2.528 524 HG21 VAL 71 3HG2 VAL 71 -2.630 -4.134 -0.433 525 HG22 VAL 71 1HG2 VAL 71 -2.434 -3.057 0.949 526 HG23 VAL 71 2HG2 VAL 71 -1.215 -3.086 -0.325 527 H GLU 72 H GLU 72 -0.669 -7.564 0.535 528 HA GLU 72 HA GLU 72 0.609 -8.488 2.740 529 HB2 GLU 72 1HB GLU 72 0.024 -9.937 0.160 530 HB3 GLU 72 2HB GLU 72 0.618 -10.757 1.597 531 HG2 GLU 72 1HG GLU 72 -1.359 -9.906 2.832 532 HG3 GLU 72 2HG GLU 72 -1.969 -9.249 1.314 533 H GLN 73 H GLN 73 1.985 -8.172 -0.490 534 HA GLN 73 HA GLN 73 4.458 -9.441 0.158 535 HB2 GLN 73 1HB GLN 73 3.674 -7.621 -2.122 536 HB3 GLN 73 2HB GLN 73 5.232 -8.426 -1.999 537 HG2 GLN 73 1HG GLN 73 4.222 -10.575 -2.177 538 HG3 GLN 73 2HG GLN 73 2.605 -9.886 -2.039 539 HE21 GLN 73 2HE2 GLN 73 4.500 -10.075 -5.592 540 HE22 GLN 73 1HE2 GLN 73 5.222 -10.621 -4.120 541 H LEU 74 H LEU 74 3.324 -6.103 0.062 542 HA LEU 74 HA LEU 74 5.804 -4.840 0.435 543 HB2 LEU 74 1HB LEU 74 3.004 -4.010 1.159 544 HB3 LEU 74 2HB LEU 74 4.404 -2.959 1.368 545 HG LEU 74 HG LEU 74 3.397 -4.057 -1.257 546 HD11 LEU 74 1HD1 LEU 74 2.579 -1.813 0.299 547 HD12 LEU 74 2HD1 LEU 74 2.004 -2.336 -1.283 548 HD13 LEU 74 3HD1 LEU 74 3.379 -1.238 -1.164 549 HD21 LEU 74 3HD2 LEU 74 5.034 -2.453 -2.219 550 HD22 LEU 74 1HD2 LEU 74 5.779 -3.791 -1.345 551 HD23 LEU 74 2HD2 LEU 74 5.676 -2.198 -0.596 552 H GLN 75 H GLN 75 3.282 -5.626 2.832 553 HA GLN 75 HA GLN 75 4.373 -4.766 5.140 554 HB2 GLN 75 1HB GLN 75 3.089 -7.466 4.701 555 HB3 GLN 75 2HB GLN 75 3.334 -6.717 6.272 556 HG2 GLN 75 1HG GLN 75 1.814 -4.965 5.769 557 HG3 GLN 75 2HG GLN 75 1.724 -5.448 4.076 558 HE21 GLN 75 2HE2 GLN 75 -0.921 -7.595 4.572 559 HE22 GLN 75 1HE2 GLN 75 0.069 -6.662 3.507 560 H ALA 76 H ALA 76 5.508 -7.457 3.221 561 HA ALA 76 HA ALA 76 7.312 -8.475 5.197 562 HB1 ALA 76 3HB ALA 76 8.079 -9.171 2.516 563 HB2 ALA 76 1HB ALA 76 7.441 -10.196 3.802 564 HB3 ALA 76 2HB ALA 76 6.336 -9.344 2.723 565 H LEU 77 H LEU 77 8.091 -7.126 1.990 566 HA LEU 77 HA LEU 77 10.749 -6.589 2.449 567 HB2 LEU 77 1HB LEU 77 10.462 -4.777 0.699 568 HB3 LEU 77 2HB LEU 77 9.988 -6.412 0.245 569 HG LEU 77 HG LEU 77 7.600 -5.590 0.944 570 HD11 LEU 77 1HD1 LEU 77 7.624 -3.475 1.671 571 HD12 LEU 77 2HD1 LEU 77 7.736 -3.052 -0.037 572 HD13 LEU 77 3HD1 LEU 77 9.197 -3.139 0.948 573 HD21 LEU 77 3HD2 LEU 77 8.983 -5.860 -1.456 574 HD22 LEU 77 1HD2 LEU 77 8.172 -4.298 -1.573 575 HD23 LEU 77 2HD2 LEU 77 7.235 -5.756 -1.243 576 H SER 78 H SER 78 7.977 -4.881 3.608 577 HA SER 78 HA SER 78 9.380 -2.458 4.261 578 HB2 SER 78 1HB SER 78 7.038 -2.246 3.833 579 HB3 SER 78 2HB SER 78 6.644 -3.513 4.994 580 HG SER 78 HG SER 78 6.446 -1.154 5.615 581 H SER 79 H SER 79 8.109 -5.216 6.109 582 HA SER 79 HA SER 79 9.225 -4.275 8.581 583 HB2 SER 79 1HB SER 79 7.284 -5.564 8.868 584 HB3 SER 79 2HB SER 79 7.824 -6.798 7.729 585 HG SER 79 HG SER 79 8.607 -7.806 9.383 586 H ARG 80 H ARG 80 9.789 -7.354 6.874 587 HA ARG 80 HA ARG 80 11.644 -8.650 6.649 588 HB2 ARG 80 1HB ARG 80 12.896 -5.908 6.686 589 HB3 ARG 80 2HB ARG 80 13.843 -7.370 6.444 590 HG2 ARG 80 1HG ARG 80 12.316 -7.890 4.503 591 HG3 ARG 80 2HG ARG 80 11.685 -6.252 4.681 592 HD2 ARG 80 1HD ARG 80 13.408 -6.275 2.991 593 HD3 ARG 80 2HD ARG 80 13.972 -5.373 4.397 594 HE ARG 80 HE ARG 80 14.748 -8.132 4.445 595 HH11 ARG 80 2HH1 ARG 80 15.556 -4.972 3.227 596 HH12 ARG 80 1HH1 ARG 80 17.242 -5.330 3.048 597 HH21 ARG 80 1HH2 ARG 80 18.042 -7.402 3.608 598 HH22 ARG 80 2HH2 ARG 80 16.965 -8.614 4.213 599 H LEU 81 H LEU 81 10.604 -8.080 9.323 600 HA LEU 81 HA LEU 81 12.874 -7.880 11.081 601 HB2 LEU 81 1HB LEU 81 9.939 -8.196 11.389 602 HB3 LEU 81 2HB LEU 81 10.963 -8.719 12.725 603 HG LEU 81 HG LEU 81 10.173 -6.475 13.124 604 HD11 LEU 81 1HD1 LEU 81 12.716 -7.279 13.401 605 HD12 LEU 81 2HD1 LEU 81 12.138 -5.692 13.907 606 HD13 LEU 81 3HD1 LEU 81 12.958 -5.878 12.357 607 HD21 LEU 81 3HD2 LEU 81 11.434 -4.831 11.317 608 HD22 LEU 81 1HD2 LEU 81 9.717 -5.233 11.327 609 HD23 LEU 81 2HD2 LEU 81 10.829 -6.144 10.306 610 H GLN 82 H GLN 82 13.071 -9.602 12.863 611 HA GLN 82 HA GLN 82 13.904 -11.677 13.332 612 HB2 GLN 82 1HB GLN 82 11.184 -12.129 12.189 613 HB3 GLN 82 2HB GLN 82 12.194 -13.530 12.523 614 HG2 GLN 82 1HG GLN 82 11.457 -11.415 14.534 615 HG3 GLN 82 2HG GLN 82 10.663 -12.980 14.366 616 HE21 GLN 82 2HE2 GLN 82 13.199 -13.140 17.069 617 HE22 GLN 82 1HE2 GLN 82 11.828 -12.144 16.734 618 H THR 83 H THR 83 14.943 -10.560 10.947 619 HA THR 83 HA THR 83 14.920 -12.259 8.732 620 HB THR 83 HB THR 83 17.222 -10.542 9.684 621 HG1 THR 83 1HG THR 83 15.448 -9.230 9.393 622 HG21 THR 83 3HG2 THR 83 18.307 -11.089 7.811 623 HG22 THR 83 1HG2 THR 83 16.874 -10.806 6.823 624 HG23 THR 83 2HG2 THR 83 17.123 -12.376 7.588 625 H GLU 84 H GLU 84 15.266 -14.392 8.915 626 HA GLU 84 HA GLU 84 17.377 -15.388 10.659 627 HB2 GLU 84 1HB GLU 84 14.996 -16.391 10.403 628 HB3 GLU 84 2HB GLU 84 15.627 -17.106 8.927 629 HG2 GLU 84 1HG GLU 84 17.451 -18.124 10.300 630 HG3 GLU 84 2HG GLU 84 16.601 -17.553 11.735 631 H ASN 85 H ASN 85 19.328 -15.059 9.724 632 HA ASN 85 HA ASN 85 19.741 -15.583 6.908 633 HB2 ASN 85 1HB ASN 85 21.705 -14.799 9.074 634 HB3 ASN 85 2HB ASN 85 22.062 -14.870 7.351 635 HD21 ASN 85 2HD2 ASN 85 20.529 -11.835 6.566 636 HD22 ASN 85 1HD2 ASN 85 21.163 -13.328 5.970 637 H SER 86 H SER 86 21.249 -16.788 9.911 638 HA SER 86 HA SER 86 22.489 -18.996 8.621 639 HB2 SER 86 1HB SER 86 22.915 -19.785 10.969 640 HB3 SER 86 2HB SER 86 23.462 -18.139 10.652 641 HG SER 86 HG SER 86 22.363 -18.007 12.534 642 H GLY 87 H GLY 87 19.869 -18.945 11.050 643 HA2 GLY 87 1HA GLY 87 17.837 -20.136 10.893 644 HA3 GLY 87 2HA GLY 87 18.525 -21.093 9.590 645 HA PRO 88 HA PRO 88 18.932 -23.081 13.965 646 HB2 PRO 88 2HB PRO 88 16.831 -22.741 14.830 647 HB3 PRO 88 1HB PRO 88 16.554 -24.370 14.201 648 HG2 PRO 88 1HG PRO 88 15.503 -23.588 12.285 649 HG3 PRO 88 2HG PRO 88 15.013 -22.335 13.439 650 HD2 PRO 88 1HD PRO 88 16.292 -21.762 11.122 651 HD3 PRO 88 2HD PRO 88 16.508 -20.797 12.596 652 H SER 89 H SER 89 18.508 -23.817 10.785 653 HA SER 89 HA SER 89 17.961 -26.408 10.385 654 HB2 SER 89 1HB SER 89 20.491 -25.143 9.312 655 HB3 SER 89 2HB SER 89 19.562 -26.449 8.577 656 HG SER 89 HG SER 89 17.796 -24.676 8.761 657 H SER 90 H SER 90 21.113 -25.261 11.581 658 HA SER 90 HA SER 90 22.083 -27.915 12.048 659 HB2 SER 90 1HB SER 90 23.177 -25.300 13.108 660 HB3 SER 90 2HB SER 90 24.036 -26.836 13.003 661 HG SER 90 HG SER 90 23.308 -26.511 10.607 662 H GLY 91 H GLY 91 21.248 -29.150 13.599 663 HA2 GLY 91 1HA GLY 91 21.211 -29.671 15.947 664 HA3 GLY 91 2HA GLY 91 20.932 -27.968 16.278 Start of MODEL 7 1 H1 GLY 1 H GLY 1 18.412 17.831 -2.379 2 HA2 GLY 1 1HA GLY 1 17.699 18.810 0.235 3 HA3 GLY 1 2HA GLY 1 16.609 18.109 -0.952 4 H SER 2 H SER 2 19.405 16.981 0.957 5 HA SER 2 HA SER 2 19.777 14.947 1.954 6 HB2 SER 2 1HB SER 2 18.050 14.414 3.690 7 HB3 SER 2 2HB SER 2 18.598 16.090 3.724 8 HG SER 2 HG SER 2 16.707 16.647 2.564 9 H SER 3 H SER 3 18.950 14.555 -0.652 10 HA SER 3 HA SER 3 17.135 12.243 -0.442 11 HB2 SER 3 1HB SER 3 17.645 14.180 -2.692 12 HB3 SER 3 2HB SER 3 16.906 12.606 -2.982 13 HG SER 3 HG SER 3 15.405 13.316 -1.211 14 H GLY 4 H GLY 4 17.750 10.283 -1.272 15 HA2 GLY 4 1HA GLY 4 19.333 9.244 -2.979 16 HA3 GLY 4 2HA GLY 4 20.581 10.092 -2.077 17 H SER 5 H SER 5 18.614 7.300 -2.265 18 HA SER 5 HA SER 5 19.938 6.231 0.129 19 HB2 SER 5 1HB SER 5 17.480 6.910 0.503 20 HB3 SER 5 2HB SER 5 17.080 5.531 -0.521 21 HG SER 5 HG SER 5 17.381 4.323 1.156 22 H SER 6 H SER 6 20.098 3.897 0.167 23 HA SER 6 HA SER 6 20.869 2.832 -2.340 24 HB2 SER 6 1HB SER 6 21.340 0.778 -1.123 25 HB3 SER 6 2HB SER 6 21.886 2.160 -0.172 26 HG SER 6 HG SER 6 19.875 1.986 0.988 27 H GLY 7 H GLY 7 18.354 1.627 -0.106 28 HA2 GLY 7 1HA GLY 7 17.016 0.361 -2.383 29 HA3 GLY 7 2HA GLY 7 16.688 0.050 -0.685 30 H MET 8 H MET 8 14.748 0.711 -0.077 31 HA MET 8 HA MET 8 13.807 3.346 -0.876 32 HB2 MET 8 1HB MET 8 11.619 2.507 -1.599 33 HB3 MET 8 2HB MET 8 12.910 1.885 -2.617 34 HG2 MET 8 1HG MET 8 12.747 -0.259 -1.728 35 HG3 MET 8 2HG MET 8 11.867 0.298 -0.307 36 HE1 MET 8 3HE MET 8 9.843 0.101 0.110 37 HE2 MET 8 1HE MET 8 8.421 0.174 -0.931 38 HE3 MET 8 2HE MET 8 9.260 -1.359 -0.691 39 H GLU 9 H GLU 9 12.335 4.258 0.554 40 HA GLU 9 HA GLU 9 12.464 3.382 3.225 41 HB2 GLU 9 1HB GLU 9 10.711 5.132 3.628 42 HB3 GLU 9 2HB GLU 9 12.145 5.709 2.790 43 HG2 GLU 9 1HG GLU 9 10.649 5.112 0.670 44 HG3 GLU 9 2HG GLU 9 9.363 5.439 1.832 45 HA PRO 10 HA PRO 10 9.178 0.502 3.631 46 HB2 PRO 10 2HB PRO 10 9.858 0.216 5.807 47 HB3 PRO 10 1HB PRO 10 8.326 1.027 6.154 48 HG2 PRO 10 1HG PRO 10 9.345 3.088 6.482 49 HG3 PRO 10 2HG PRO 10 10.626 2.012 7.069 50 HD2 PRO 10 1HD PRO 10 11.040 3.839 5.114 51 HD3 PRO 10 2HD PRO 10 11.902 2.288 5.169 52 H VAL 11 H VAL 11 6.972 0.304 3.421 53 HA VAL 11 HA VAL 11 5.515 2.557 2.548 54 HB VAL 11 HB VAL 11 4.392 -0.113 3.402 55 HG11 VAL 11 1HG1 VAL 11 2.561 1.281 3.138 56 HG12 VAL 11 2HG1 VAL 11 3.319 2.200 1.836 57 HG13 VAL 11 3HG1 VAL 11 2.727 0.566 1.535 58 HG21 VAL 11 3HG2 VAL 11 6.137 0.559 1.226 59 HG22 VAL 11 1HG2 VAL 11 5.482 -1.012 1.688 60 HG23 VAL 11 2HG2 VAL 11 4.571 0.039 0.604 61 H GLU 12 H GLU 12 5.562 0.783 5.600 62 HA GLU 12 HA GLU 12 3.351 1.897 6.844 63 HB2 GLU 12 1HB GLU 12 4.171 1.026 8.817 64 HB3 GLU 12 2HB GLU 12 5.050 0.067 7.635 65 HG2 GLU 12 1HG GLU 12 6.967 1.612 7.871 66 HG3 GLU 12 2HG GLU 12 6.085 2.455 9.143 67 H THR 13 H THR 13 6.196 3.431 5.839 68 HA THR 13 HA THR 13 5.732 5.705 7.651 69 HB THR 13 HB THR 13 7.989 6.450 7.144 70 HG1 THR 13 1HG THR 13 7.816 5.262 4.951 71 HG21 THR 13 3HG2 THR 13 7.853 4.949 8.994 72 HG22 THR 13 1HG2 THR 13 9.268 4.482 8.052 73 HG23 THR 13 2HG2 THR 13 7.779 3.546 7.929 74 H TRP 14 H TRP 14 5.658 4.664 4.364 75 HA TRP 14 HA TRP 14 5.989 6.956 2.902 76 HB2 TRP 14 1HB TRP 14 4.031 4.690 2.535 77 HB3 TRP 14 2HB TRP 14 4.218 5.980 1.350 78 HD1 TRP 14 HD TRP 14 7.512 5.194 2.820 79 HE1 TRP 14 1HE TRP 14 8.883 3.708 1.227 80 HE3 TRP 14 3HE TRP 14 3.799 3.839 -0.423 81 HZ2 TRP 14 2HZ TRP 14 8.448 2.166 -1.097 82 HZ3 TRP 14 3HZ TRP 14 4.361 2.356 -2.305 83 HH2 TRP 14 HH TRP 14 6.638 1.539 -2.633 84 H THR 15 H THR 15 4.547 8.550 2.074 85 HA THR 15 HA THR 15 2.621 9.437 4.060 86 HB THR 15 HB THR 15 2.444 11.429 2.402 87 HG1 THR 15 1HG THR 15 4.696 11.467 1.327 88 HG21 THR 15 3HG2 THR 15 4.033 10.915 4.590 89 HG22 THR 15 1HG2 THR 15 3.834 12.484 3.812 90 HG23 THR 15 2HG2 THR 15 5.196 11.451 3.377 91 HA PRO 16 HA PRO 16 -1.043 8.263 1.945 92 HB2 PRO 16 2HB PRO 16 -2.215 9.162 3.705 93 HB3 PRO 16 1HB PRO 16 -2.686 10.355 2.489 94 HG2 PRO 16 1HG PRO 16 -1.112 11.901 3.212 95 HG3 PRO 16 2HG PRO 16 -1.500 11.111 4.752 96 HD2 PRO 16 1HD PRO 16 1.028 11.277 3.797 97 HD3 PRO 16 2HD PRO 16 0.464 9.906 4.774 98 H GLY 17 H GLY 17 0.915 10.655 0.812 99 HA2 GLY 17 1HA GLY 17 -0.916 11.429 -1.361 100 HA3 GLY 17 2HA GLY 17 0.548 12.292 -0.912 101 H LYS 18 H LYS 18 1.747 9.419 -0.688 102 HA LYS 18 HA LYS 18 2.671 9.378 -3.453 103 HB2 LYS 18 1HB LYS 18 3.651 7.703 -1.139 104 HB3 LYS 18 2HB LYS 18 4.463 7.977 -2.674 105 HG2 LYS 18 1HG LYS 18 5.028 10.172 -2.121 106 HG3 LYS 18 2HG LYS 18 3.842 10.243 -0.814 107 HD2 LYS 18 1HD LYS 18 5.913 10.020 0.268 108 HD3 LYS 18 2HD LYS 18 5.216 8.399 0.298 109 HE2 LYS 18 1HE LYS 18 6.538 8.091 -1.926 110 HE3 LYS 18 2HE LYS 18 7.477 9.465 -1.343 111 HZ1 LYS 18 3HZ LYS 18 7.309 7.788 0.808 112 HZ2 LYS 18 1HZ LYS 18 8.651 7.983 -0.204 113 HZ3 LYS 18 2HZ LYS 18 7.543 6.739 -0.499 114 H VAL 19 H VAL 19 1.130 7.245 -1.085 115 HA VAL 19 HA VAL 19 1.053 4.847 -2.347 116 HB VAL 19 HB VAL 19 -1.237 6.190 -0.908 117 HG11 VAL 19 1HG1 VAL 19 -2.285 4.066 -0.701 118 HG12 VAL 19 2HG1 VAL 19 -1.914 4.291 -2.411 119 HG13 VAL 19 3HG1 VAL 19 -0.901 3.242 -1.418 120 HG21 VAL 19 3HG2 VAL 19 0.651 4.088 0.126 121 HG22 VAL 19 1HG2 VAL 19 0.952 5.817 0.306 122 HG23 VAL 19 2HG2 VAL 19 -0.476 5.089 1.042 123 H ALA 20 H ALA 20 -1.111 7.585 -3.006 124 HA ALA 20 HA ALA 20 -2.905 6.603 -4.754 125 HB1 ALA 20 3HB ALA 20 -1.425 9.183 -4.688 126 HB2 ALA 20 1HB ALA 20 -2.449 8.831 -6.081 127 HB3 ALA 20 2HB ALA 20 -3.143 8.859 -4.459 128 H THR 21 H THR 21 0.505 7.160 -5.434 129 HA THR 21 HA THR 21 0.327 6.600 -8.226 130 HB THR 21 HB THR 21 2.724 6.568 -6.382 131 HG1 THR 21 1HG THR 21 3.076 8.622 -7.539 132 HG21 THR 21 3HG2 THR 21 2.741 6.749 -9.389 133 HG22 THR 21 1HG2 THR 21 2.937 5.226 -8.523 134 HG23 THR 21 2HG2 THR 21 4.113 6.522 -8.304 135 H TRP 22 H TRP 22 1.820 4.739 -5.569 136 HA TRP 22 HA TRP 22 2.333 2.409 -6.947 137 HB2 TRP 22 1HB TRP 22 3.075 2.895 -4.623 138 HB3 TRP 22 2HB TRP 22 1.432 2.592 -4.065 139 HD1 TRP 22 HD TRP 22 4.480 0.755 -5.512 140 HE1 TRP 22 1HE TRP 22 4.254 -1.750 -4.965 141 HE3 TRP 22 3HE TRP 22 -0.227 0.781 -3.518 142 HZ2 TRP 22 2HZ TRP 22 2.334 -3.486 -3.839 143 HZ3 TRP 22 3HZ TRP 22 -1.186 -1.344 -2.730 144 HH2 TRP 22 HH TRP 22 0.069 -3.432 -2.888 145 H LEU 23 H LEU 23 -0.690 3.513 -5.539 146 HA LEU 23 HA LEU 23 -2.103 1.071 -5.817 147 HB2 LEU 23 1HB LEU 23 -2.838 3.919 -5.357 148 HB3 LEU 23 2HB LEU 23 -4.103 2.791 -5.843 149 HG LEU 23 HG LEU 23 -2.342 2.379 -3.432 150 HD11 LEU 23 1HD1 LEU 23 -4.019 4.449 -3.596 151 HD12 LEU 23 2HD1 LEU 23 -3.768 3.535 -2.109 152 HD13 LEU 23 3HD1 LEU 23 -5.168 3.195 -3.126 153 HD21 LEU 23 3HD2 LEU 23 -5.052 1.204 -3.820 154 HD22 LEU 23 1HD2 LEU 23 -3.672 0.586 -2.913 155 HD23 LEU 23 2HD2 LEU 23 -3.682 0.493 -4.674 156 H ARG 24 H ARG 24 -1.722 3.905 -7.894 157 HA ARG 24 HA ARG 24 -3.575 3.099 -9.874 158 HB2 ARG 24 1HB ARG 24 -2.464 5.414 -9.461 159 HB3 ARG 24 2HB ARG 24 -1.171 4.791 -10.476 160 HG2 ARG 24 1HG ARG 24 -4.016 4.729 -11.401 161 HG3 ARG 24 2HG ARG 24 -3.031 6.185 -11.564 162 HD2 ARG 24 1HD ARG 24 -1.304 4.578 -12.650 163 HD3 ARG 24 2HD ARG 24 -2.691 3.509 -12.859 164 HE ARG 24 HE ARG 24 -3.394 4.849 -14.564 165 HH11 ARG 24 2HH1 ARG 24 -1.184 6.655 -12.570 166 HH12 ARG 24 1HH1 ARG 24 -1.161 8.034 -13.618 167 HH21 ARG 24 1HH2 ARG 24 -2.406 8.036 -15.541 168 HH22 ARG 24 2HH2 ARG 24 -3.371 6.659 -15.952 169 H GLY 25 H GLY 25 -0.114 2.558 -9.445 170 HA2 GLY 25 1HA GLY 25 0.336 1.374 -11.986 171 HA3 GLY 25 2HA GLY 25 1.376 1.222 -10.577 172 H LEU 26 H LEU 26 -0.610 0.059 -8.857 173 HA LEU 26 HA LEU 26 -0.179 -2.569 -8.980 174 HB2 LEU 26 1HB LEU 26 -2.543 -1.002 -8.114 175 HB3 LEU 26 2HB LEU 26 -2.728 -2.751 -8.226 176 HG LEU 26 HG LEU 26 -0.590 -1.401 -6.585 177 HD11 LEU 26 1HD1 LEU 26 -2.212 -0.820 -5.176 178 HD12 LEU 26 2HD1 LEU 26 -2.413 -2.542 -4.855 179 HD13 LEU 26 3HD1 LEU 26 -3.423 -1.748 -6.062 180 HD21 LEU 26 3HD2 LEU 26 -0.867 -4.025 -7.447 181 HD22 LEU 26 1HD2 LEU 26 -1.473 -4.039 -5.791 182 HD23 LEU 26 2HD2 LEU 26 0.154 -3.448 -6.130 183 H ASP 27 H ASP 27 -3.025 -1.111 -10.566 184 HA ASP 27 HA ASP 27 -2.728 -2.740 -12.891 185 HB2 ASP 27 1HB ASP 27 -4.619 -3.569 -10.748 186 HB3 ASP 27 2HB ASP 27 -5.178 -3.692 -12.414 187 H ASP 28 H ASP 28 -4.571 -2.414 -14.426 188 HA ASP 28 HA ASP 28 -5.238 0.365 -14.514 189 HB2 ASP 28 1HB ASP 28 -4.763 -1.283 -16.476 190 HB3 ASP 28 2HB ASP 28 -6.469 -1.694 -16.320 191 H SER 29 H SER 29 -7.139 -2.621 -14.171 192 HA SER 29 HA SER 29 -9.680 -1.605 -14.091 193 HB2 SER 29 1HB SER 29 -8.363 -3.935 -12.769 194 HB3 SER 29 2HB SER 29 -9.995 -3.504 -12.258 195 HG SER 29 HG SER 29 -9.204 -4.784 -14.483 196 H LEU 30 H LEU 30 -7.164 -1.209 -11.759 197 HA LEU 30 HA LEU 30 -9.036 -0.104 -9.793 198 HB2 LEU 30 1HB LEU 30 -6.076 -0.539 -9.469 199 HB3 LEU 30 2HB LEU 30 -7.263 -0.229 -8.203 200 HG LEU 30 HG LEU 30 -7.170 -2.734 -9.881 201 HD11 LEU 30 1HD1 LEU 30 -6.259 -2.346 -7.036 202 HD12 LEU 30 2HD1 LEU 30 -5.180 -2.456 -8.426 203 HD13 LEU 30 3HD1 LEU 30 -6.192 -3.831 -7.985 204 HD21 LEU 30 3HD2 LEU 30 -9.208 -3.071 -9.065 205 HD22 LEU 30 1HD2 LEU 30 -9.107 -1.620 -8.066 206 HD23 LEU 30 2HD2 LEU 30 -8.490 -3.156 -7.455 207 H GLN 31 H GLN 31 -6.361 0.760 -11.885 208 HA GLN 31 HA GLN 31 -5.589 3.209 -10.964 209 HB2 GLN 31 1HB GLN 31 -4.715 3.616 -13.055 210 HB3 GLN 31 2HB GLN 31 -4.935 1.873 -13.127 211 HG2 GLN 31 1HG GLN 31 -5.853 2.437 -15.117 212 HG3 GLN 31 2HG GLN 31 -7.288 2.571 -14.101 213 HE21 GLN 31 2HE2 GLN 31 -7.002 5.571 -16.260 214 HE22 GLN 31 1HE2 GLN 31 -7.073 3.867 -16.531 215 H ASP 32 H ASP 32 -8.672 2.335 -12.210 216 HA ASP 32 HA ASP 32 -9.551 4.943 -12.949 217 HB2 ASP 32 1HB ASP 32 -11.630 3.976 -13.358 218 HB3 ASP 32 2HB ASP 32 -10.529 2.623 -13.602 219 H TYR 33 H TYR 33 -9.938 2.952 -10.041 220 HA TYR 33 HA TYR 33 -11.667 4.454 -8.558 221 HB2 TYR 33 1HB TYR 33 -9.252 2.853 -7.768 222 HB3 TYR 33 2HB TYR 33 -10.198 3.703 -6.552 223 HD1 TYR 33 1HD TYR 33 -10.477 1.182 -9.271 224 HD2 TYR 33 2HD TYR 33 -12.146 2.741 -5.682 225 HE1 TYR 33 1HE TYR 33 -12.057 -0.702 -9.195 226 HE2 TYR 33 2HE TYR 33 -13.730 0.861 -5.595 227 HH TYR 33 HH TYR 33 -14.629 -0.846 -6.801 228 HA PRO 34 HA PRO 34 -9.775 8.386 -7.947 229 HB2 PRO 34 2HB PRO 34 -11.876 9.135 -7.394 230 HB3 PRO 34 1HB PRO 34 -11.186 9.180 -5.767 231 HG2 PRO 34 1HG PRO 34 -12.141 7.150 -5.169 232 HG3 PRO 34 2HG PRO 34 -13.383 7.762 -6.277 233 HD2 PRO 34 1HD PRO 34 -12.189 5.355 -6.613 234 HD3 PRO 34 2HD PRO 34 -12.742 6.345 -7.978 235 H PHE 35 H PHE 35 -7.726 7.281 -7.343 236 HA PHE 35 HA PHE 35 -7.177 6.711 -4.599 237 HB2 PHE 35 1HB PHE 35 -5.348 7.105 -6.974 238 HB3 PHE 35 2HB PHE 35 -4.796 6.599 -5.381 239 HD1 PHE 35 2HD PHE 35 -6.798 4.683 -4.546 240 HD2 PHE 35 1HD PHE 35 -5.080 5.309 -8.390 241 HE1 PHE 35 2HE PHE 35 -7.259 2.338 -5.130 242 HE2 PHE 35 1HE PHE 35 -5.540 2.965 -8.981 243 HZ PHE 35 HZ PHE 35 -6.629 1.476 -7.350 244 H GLU 36 H GLU 36 -7.019 9.538 -6.600 245 HA GLU 36 HA GLU 36 -5.231 11.034 -4.958 246 HB2 GLU 36 1HB GLU 36 -7.232 11.886 -7.054 247 HB3 GLU 36 2HB GLU 36 -6.128 12.995 -6.252 248 HG2 GLU 36 1HG GLU 36 -4.241 11.995 -7.232 249 HG3 GLU 36 2HG GLU 36 -5.161 10.582 -7.748 250 H ASP 37 H ASP 37 -8.444 10.087 -4.585 251 HA ASP 37 HA ASP 37 -8.929 12.241 -2.633 252 HB2 ASP 37 1HB ASP 37 -10.724 10.846 -4.552 253 HB3 ASP 37 2HB ASP 37 -11.400 11.285 -2.986 254 H TRP 38 H TRP 38 -7.490 9.663 -2.296 255 HA TRP 38 HA TRP 38 -9.274 8.235 -0.465 256 HB2 TRP 38 1HB TRP 38 -6.783 7.540 -1.937 257 HB3 TRP 38 2HB TRP 38 -7.055 6.746 -0.388 258 HD1 TRP 38 HD TRP 38 -9.979 7.541 -2.729 259 HE1 TRP 38 1HE TRP 38 -10.988 5.325 -3.564 260 HE3 TRP 38 3HE TRP 38 -6.504 4.304 -0.837 261 HZ2 TRP 38 2HZ TRP 38 -10.390 2.570 -3.436 262 HZ3 TRP 38 3HZ TRP 38 -6.796 1.894 -1.238 263 HH2 TRP 38 HH TRP 38 -8.699 1.047 -2.510 264 H GLN 39 H GLN 39 -6.146 9.889 -0.541 265 HA GLN 39 HA GLN 39 -4.784 10.668 1.112 266 HB2 GLN 39 1HB GLN 39 -7.464 11.032 2.461 267 HB3 GLN 39 2HB GLN 39 -5.960 11.747 3.026 268 HG2 GLN 39 1HG GLN 39 -5.807 12.812 0.710 269 HG3 GLN 39 2HG GLN 39 -7.502 12.359 0.533 270 HE21 GLN 39 2HE2 GLN 39 -6.643 15.756 2.277 271 HE22 GLN 39 1HE2 GLN 39 -5.644 14.875 1.178 272 H LEU 40 H LEU 40 -4.986 7.886 1.067 273 HA LEU 40 HA LEU 40 -5.215 7.052 3.857 274 HB2 LEU 40 1HB LEU 40 -6.267 5.681 2.115 275 HB3 LEU 40 2HB LEU 40 -4.690 5.433 1.367 276 HG LEU 40 HG LEU 40 -4.068 4.405 3.685 277 HD11 LEU 40 1HD1 LEU 40 -6.990 3.758 3.715 278 HD12 LEU 40 2HD1 LEU 40 -6.365 5.164 4.575 279 HD13 LEU 40 3HD1 LEU 40 -5.787 3.550 4.988 280 HD21 LEU 40 3HD2 LEU 40 -5.942 2.785 2.000 281 HD22 LEU 40 1HD2 LEU 40 -4.456 2.285 2.808 282 HD23 LEU 40 2HD2 LEU 40 -4.378 3.311 1.376 283 HA PRO 41 HA PRO 41 -0.794 7.629 4.222 284 HB2 PRO 41 2HB PRO 41 -1.229 8.540 6.286 285 HB3 PRO 41 1HB PRO 41 -0.672 6.959 6.850 286 HG2 PRO 41 1HG PRO 41 -2.833 6.162 7.143 287 HG3 PRO 41 2HG PRO 41 -3.082 7.875 7.524 288 HD2 PRO 41 1HD PRO 41 -4.505 6.586 5.615 289 HD3 PRO 41 2HD PRO 41 -4.092 8.309 5.499 290 H GLY 42 H GLY 42 0.965 6.273 4.225 291 HA2 GLY 42 1HA GLY 42 0.687 3.621 3.499 292 HA3 GLY 42 2HA GLY 42 2.158 4.311 4.168 293 H LYS 43 H LYS 43 1.519 4.871 6.729 294 HA LYS 43 HA LYS 43 1.940 2.627 8.156 295 HB2 LYS 43 1HB LYS 43 1.026 3.740 10.105 296 HB3 LYS 43 2HB LYS 43 1.884 4.909 9.109 297 HG2 LYS 43 1HG LYS 43 -0.484 5.355 8.104 298 HG3 LYS 43 2HG LYS 43 -1.039 4.630 9.615 299 HD2 LYS 43 1HD LYS 43 1.050 6.743 9.753 300 HD3 LYS 43 2HD LYS 43 -0.607 7.233 9.394 301 HE2 LYS 43 1HE LYS 43 -0.599 7.354 11.688 302 HE3 LYS 43 2HE LYS 43 -1.182 5.709 11.441 303 HZ1 LYS 43 3HZ LYS 43 1.565 6.553 12.171 304 HZ2 LYS 43 1HZ LYS 43 1.173 4.977 11.697 305 HZ3 LYS 43 2HZ LYS 43 0.489 5.634 13.098 306 H ASN 44 H ASN 44 -1.205 3.769 7.037 307 HA ASN 44 HA ASN 44 -2.564 1.516 8.274 308 HB2 ASN 44 1HB ASN 44 -3.405 4.034 6.926 309 HB3 ASN 44 2HB ASN 44 -4.519 2.671 6.866 310 HD21 ASN 44 2HD2 ASN 44 -3.881 4.714 10.310 311 HD22 ASN 44 1HD2 ASN 44 -2.916 4.980 8.901 312 H LEU 45 H LEU 45 -1.587 2.636 5.091 313 HA LEU 45 HA LEU 45 -2.992 1.052 3.384 314 HB2 LEU 45 1HB LEU 45 -1.344 2.652 2.625 315 HB3 LEU 45 2HB LEU 45 -0.043 1.669 3.294 316 HG LEU 45 HG LEU 45 -0.765 -0.130 1.642 317 HD11 LEU 45 1HD1 LEU 45 -1.900 0.789 -0.389 318 HD12 LEU 45 2HD1 LEU 45 -2.301 2.221 0.557 319 HD13 LEU 45 3HD1 LEU 45 -2.933 0.645 1.033 320 HD21 LEU 45 3HD2 LEU 45 0.120 1.966 -0.125 321 HD22 LEU 45 1HD2 LEU 45 0.997 0.559 0.478 322 HD23 LEU 45 2HD2 LEU 45 0.966 2.049 1.421 323 H LEU 46 H LEU 46 -0.283 0.079 5.420 324 HA LEU 46 HA LEU 46 -0.285 -2.618 4.367 325 HB2 LEU 46 1HB LEU 46 1.243 -1.300 6.601 326 HB3 LEU 46 2HB LEU 46 1.428 -2.996 6.160 327 HG LEU 46 HG LEU 46 1.981 -0.700 4.285 328 HD11 LEU 46 1HD1 LEU 46 3.733 -0.346 5.656 329 HD12 LEU 46 2HD1 LEU 46 4.401 -1.745 4.817 330 HD13 LEU 46 3HD1 LEU 46 3.626 -1.947 6.388 331 HD21 LEU 46 3HD2 LEU 46 2.951 -2.308 2.860 332 HD22 LEU 46 1HD2 LEU 46 1.406 -2.993 3.366 333 HD23 LEU 46 2HD2 LEU 46 2.905 -3.556 4.105 334 H GLN 47 H GLN 47 -1.783 -0.870 6.917 335 HA GLN 47 HA GLN 47 -2.551 -3.356 8.279 336 HB2 GLN 47 1HB GLN 47 -2.894 -0.499 9.204 337 HB3 GLN 47 2HB GLN 47 -3.238 -1.945 10.145 338 HG2 GLN 47 1HG GLN 47 -0.699 -2.454 9.609 339 HG3 GLN 47 2HG GLN 47 -0.640 -0.699 9.456 340 HE21 GLN 47 2HE2 GLN 47 -1.546 -0.170 12.904 341 HE22 GLN 47 1HE2 GLN 47 -1.954 0.393 11.323 342 H LEU 48 H LEU 48 -3.649 -2.215 5.710 343 HA LEU 48 HA LEU 48 -6.271 -1.266 6.206 344 HB2 LEU 48 1HB LEU 48 -4.768 -2.281 3.861 345 HB3 LEU 48 2HB LEU 48 -6.528 -2.281 3.757 346 HG LEU 48 HG LEU 48 -4.856 0.159 4.350 347 HD11 LEU 48 1HD1 LEU 48 -5.864 -1.004 1.788 348 HD12 LEU 48 2HD1 LEU 48 -4.290 -0.300 2.157 349 HD13 LEU 48 3HD1 LEU 48 -5.699 0.743 1.972 350 HD21 LEU 48 3HD2 LEU 48 -6.776 1.350 4.458 351 HD22 LEU 48 1HD2 LEU 48 -7.438 -0.203 4.970 352 HD23 LEU 48 2HD2 LEU 48 -7.612 0.320 3.294 353 H CYS 49 H CYS 49 -8.088 -2.665 4.912 354 HA CYS 49 HA CYS 49 -8.009 -5.475 5.467 355 HB2 CYS 49 1HB CYS 49 -9.350 -3.600 7.349 356 HB3 CYS 49 2HB CYS 49 -10.193 -5.096 6.963 357 HG CYS 49 HG CYS 49 -7.470 -4.602 8.852 358 HA PRO 50 HA PRO 50 -11.131 -5.600 2.391 359 HB2 PRO 50 2HB PRO 50 -11.036 -7.892 2.516 360 HB3 PRO 50 1HB PRO 50 -12.662 -7.699 3.180 361 HG2 PRO 50 1HG PRO 50 -11.929 -7.906 5.373 362 HG3 PRO 50 2HG PRO 50 -10.771 -8.973 4.557 363 HD2 PRO 50 1HD PRO 50 -9.993 -6.895 6.110 364 HD3 PRO 50 2HD PRO 50 -9.061 -7.434 4.698 365 H GLN 51 H GLN 51 -12.112 -5.297 5.715 366 HA GLN 51 HA GLN 51 -14.860 -4.660 5.049 367 HB2 GLN 51 1HB GLN 51 -14.520 -5.865 7.094 368 HB3 GLN 51 2HB GLN 51 -13.339 -4.689 7.656 369 HG2 GLN 51 1HG GLN 51 -15.263 -2.999 7.544 370 HG3 GLN 51 2HG GLN 51 -16.312 -4.413 7.452 371 HE21 GLN 51 2HE2 GLN 51 -15.717 -3.216 10.990 372 HE22 GLN 51 1HE2 GLN 51 -16.080 -2.370 9.528 373 H SER 52 H SER 52 -11.912 -2.995 5.984 374 HA SER 52 HA SER 52 -13.161 -0.444 6.338 375 HB2 SER 52 1HB SER 52 -10.842 -1.384 7.215 376 HB3 SER 52 2HB SER 52 -10.248 -0.677 5.712 377 HG SER 52 HG SER 52 -11.649 0.646 7.795 378 H LEU 53 H LEU 53 -11.207 -1.922 3.766 379 HA LEU 53 HA LEU 53 -10.901 0.112 2.002 380 HB2 LEU 53 1HB LEU 53 -11.410 -2.794 1.665 381 HB3 LEU 53 2HB LEU 53 -11.481 -1.774 0.230 382 HG LEU 53 HG LEU 53 -9.082 -1.604 1.992 383 HD11 LEU 53 1HD1 LEU 53 -8.799 -3.555 -0.140 384 HD12 LEU 53 2HD1 LEU 53 -9.941 -4.068 1.102 385 HD13 LEU 53 3HD1 LEU 53 -8.289 -3.637 1.546 386 HD21 LEU 53 3HD2 LEU 53 -9.360 -1.544 -1.006 387 HD22 LEU 53 1HD2 LEU 53 -7.981 -1.025 -0.036 388 HD23 LEU 53 2HD2 LEU 53 -9.489 -0.112 0.017 389 H GLU 54 H GLU 54 -13.867 -1.675 2.634 390 HA GLU 54 HA GLU 54 -15.463 -0.884 0.542 391 HB2 GLU 54 1HB GLU 54 -16.368 -1.022 3.421 392 HB3 GLU 54 2HB GLU 54 -17.364 -1.232 1.988 393 HG2 GLU 54 1HG GLU 54 -16.088 -3.259 1.426 394 HG3 GLU 54 2HG GLU 54 -15.160 -3.060 2.912 395 H ALA 55 H ALA 55 -14.673 0.923 3.478 396 HA ALA 55 HA ALA 55 -16.392 3.076 3.204 397 HB1 ALA 55 3HB ALA 55 -13.686 2.761 4.429 398 HB2 ALA 55 1HB ALA 55 -14.428 4.359 4.337 399 HB3 ALA 55 2HB ALA 55 -15.243 3.056 5.203 400 H LEU 56 H LEU 56 -13.341 2.433 1.578 401 HA LEU 56 HA LEU 56 -13.337 5.027 0.279 402 HB2 LEU 56 1HB LEU 56 -11.530 2.663 -0.192 403 HB3 LEU 56 2HB LEU 56 -11.264 4.319 -0.732 404 HG LEU 56 HG LEU 56 -11.262 3.381 2.136 405 HD11 LEU 56 1HD1 LEU 56 -8.843 3.942 2.002 406 HD12 LEU 56 2HD1 LEU 56 -9.028 4.129 0.259 407 HD13 LEU 56 3HD1 LEU 56 -9.314 2.560 1.013 408 HD21 LEU 56 3HD2 LEU 56 -10.118 5.774 2.238 409 HD22 LEU 56 1HD2 LEU 56 -11.861 5.559 2.397 410 HD23 LEU 56 2HD2 LEU 56 -11.172 6.053 0.850 411 H ALA 57 H ALA 57 -15.534 3.113 -0.197 412 HA ALA 57 HA ALA 57 -16.868 2.494 -1.935 413 HB1 ALA 57 3HB ALA 57 -15.522 3.440 -4.226 414 HB2 ALA 57 1HB ALA 57 -16.915 4.149 -3.409 415 HB3 ALA 57 2HB ALA 57 -15.282 4.636 -2.953 416 H VAL 58 H VAL 58 -14.755 0.767 -1.033 417 HA VAL 58 HA VAL 58 -14.311 -0.781 -3.501 418 HB VAL 58 HB VAL 58 -12.428 -0.634 -1.143 419 HG11 VAL 58 1HG1 VAL 58 -12.777 -2.659 -3.025 420 HG12 VAL 58 2HG1 VAL 58 -11.361 -1.761 -3.574 421 HG13 VAL 58 3HG1 VAL 58 -11.401 -2.436 -1.945 422 HG21 VAL 58 3HG2 VAL 58 -11.019 0.235 -3.298 423 HG22 VAL 58 1HG2 VAL 58 -12.618 0.899 -3.637 424 HG23 VAL 58 2HG2 VAL 58 -11.803 1.290 -2.122 425 H ARG 59 H ARG 59 -16.252 -1.932 -3.041 426 HA ARG 59 HA ARG 59 -16.185 -3.635 -0.652 427 HB2 ARG 59 1HB ARG 59 -18.408 -2.881 -2.545 428 HB3 ARG 59 2HB ARG 59 -18.577 -4.152 -1.342 429 HG2 ARG 59 1HG ARG 59 -17.986 -2.447 0.401 430 HG3 ARG 59 2HG ARG 59 -18.105 -1.222 -0.864 431 HD2 ARG 59 1HD ARG 59 -20.385 -1.484 -1.089 432 HD3 ARG 59 2HD ARG 59 -20.363 -3.128 -0.453 433 HE ARG 59 HE ARG 59 -19.592 -1.492 1.630 434 HH11 ARG 59 2HH1 ARG 59 -22.380 -1.855 -0.423 435 HH12 ARG 59 1HH1 ARG 59 -23.498 -1.294 0.775 436 HH21 ARG 59 1HH2 ARG 59 -22.743 -0.665 2.845 437 HH22 ARG 59 2HH2 ARG 59 -21.054 -0.751 3.216 438 H SER 60 H SER 60 -16.512 -3.762 -4.171 439 HA SER 60 HA SER 60 -16.953 -6.438 -4.583 440 HB2 SER 60 1HB SER 60 -15.170 -4.583 -6.179 441 HB3 SER 60 2HB SER 60 -15.735 -6.157 -6.741 442 HG SER 60 HG SER 60 -17.624 -4.306 -5.829 443 H LEU 61 H LEU 61 -15.854 -8.272 -4.286 444 HA LEU 61 HA LEU 61 -13.475 -8.334 -2.786 445 HB2 LEU 61 1HB LEU 61 -15.342 -10.119 -3.142 446 HB3 LEU 61 2HB LEU 61 -14.331 -10.633 -4.491 447 HG LEU 61 HG LEU 61 -13.928 -11.996 -2.514 448 HD11 LEU 61 1HD1 LEU 61 -12.075 -11.709 -4.002 449 HD12 LEU 61 2HD1 LEU 61 -11.471 -11.650 -2.346 450 HD13 LEU 61 3HD1 LEU 61 -11.662 -10.159 -3.268 451 HD21 LEU 61 3HD2 LEU 61 -13.155 -11.141 -0.463 452 HD22 LEU 61 1HD2 LEU 61 -14.514 -10.111 -0.913 453 HD23 LEU 61 2HD2 LEU 61 -12.861 -9.541 -1.145 454 H GLY 62 H GLY 62 -14.000 -9.352 -6.171 455 HA2 GLY 62 1HA GLY 62 -11.556 -9.981 -7.040 456 HA3 GLY 62 2HA GLY 62 -12.621 -8.972 -8.008 457 H HIS 63 H HIS 63 -12.624 -6.580 -6.894 458 HA HIS 63 HA HIS 63 -10.166 -5.458 -7.622 459 HB2 HIS 63 1HB HIS 63 -12.452 -4.352 -5.990 460 HB3 HIS 63 2HB HIS 63 -11.061 -3.385 -6.471 461 HD1 HIS 63 1HD HIS 63 -14.254 -3.338 -7.395 462 HD2 HIS 63 2HD HIS 63 -10.880 -4.327 -9.609 463 HE1 HIS 63 1HE HIS 63 -14.898 -2.980 -9.800 464 HE2 HIS 63 2HE HIS 63 -12.869 -3.667 -11.125 465 H GLN 64 H GLN 64 -11.542 -6.024 -4.391 466 HA GLN 64 HA GLN 64 -9.483 -4.967 -2.866 467 HB2 GLN 64 1HB GLN 64 -11.399 -7.229 -2.341 468 HB3 GLN 64 2HB GLN 64 -10.234 -6.701 -1.135 469 HG2 GLN 64 1HG GLN 64 -11.230 -4.577 -0.953 470 HG3 GLN 64 2HG GLN 64 -12.186 -4.816 -2.414 471 HE21 GLN 64 2HE2 GLN 64 -14.764 -5.404 -0.099 472 HE22 GLN 64 1HE2 GLN 64 -14.014 -4.231 -1.122 473 H GLU 65 H GLU 65 -9.868 -8.293 -4.062 474 HA GLU 65 HA GLU 65 -7.648 -9.461 -2.919 475 HB2 GLU 65 1HB GLU 65 -9.211 -10.816 -4.116 476 HB3 GLU 65 2HB GLU 65 -8.924 -9.936 -5.610 477 HG2 GLU 65 1HG GLU 65 -6.471 -10.785 -5.283 478 HG3 GLU 65 2HG GLU 65 -7.252 -12.004 -4.276 479 H LEU 66 H LEU 66 -7.836 -7.674 -5.982 480 HA LEU 66 HA LEU 66 -5.247 -8.000 -6.880 481 HB2 LEU 66 1HB LEU 66 -7.077 -5.618 -7.080 482 HB3 LEU 66 2HB LEU 66 -5.547 -5.742 -7.947 483 HG LEU 66 HG LEU 66 -7.739 -7.772 -8.283 484 HD11 LEU 66 1HD1 LEU 66 -7.324 -5.494 -10.175 485 HD12 LEU 66 2HD1 LEU 66 -8.399 -5.323 -8.787 486 HD13 LEU 66 3HD1 LEU 66 -8.715 -6.565 -9.999 487 HD21 LEU 66 3HD2 LEU 66 -5.280 -8.110 -9.007 488 HD22 LEU 66 1HD2 LEU 66 -5.669 -6.960 -10.286 489 HD23 LEU 66 2HD2 LEU 66 -6.567 -8.472 -10.158 490 H ILE 67 H ILE 67 -6.469 -5.357 -4.822 491 HA ILE 67 HA ILE 67 -3.910 -4.217 -4.374 492 HB ILE 67 HB ILE 67 -6.432 -3.927 -2.736 493 HG12 ILE 67 1HG1 ILE 67 -5.328 -2.034 -4.812 494 HG13 ILE 67 2HG1 ILE 67 -6.523 -3.271 -5.191 495 HG21 ILE 67 1HG2 ILE 67 -5.442 -2.276 -1.523 496 HG22 ILE 67 2HG2 ILE 67 -4.022 -3.268 -1.846 497 HG23 ILE 67 3HG2 ILE 67 -4.334 -1.832 -2.821 498 HD11 ILE 67 3HD1 ILE 67 -7.108 -1.422 -2.950 499 HD12 ILE 67 1HD1 ILE 67 -7.207 -0.796 -4.596 500 HD13 ILE 67 2HD1 ILE 67 -8.196 -2.175 -4.116 501 H LEU 68 H LEU 68 -6.051 -5.893 -2.059 502 HA LEU 68 HA LEU 68 -4.390 -6.178 0.060 503 HB2 LEU 68 1HB LEU 68 -6.333 -8.170 -1.082 504 HB3 LEU 68 2HB LEU 68 -5.529 -8.398 0.470 505 HG LEU 68 HG LEU 68 -7.412 -6.145 -0.230 506 HD11 LEU 68 1HD1 LEU 68 -8.035 -8.757 0.365 507 HD12 LEU 68 2HD1 LEU 68 -9.097 -7.364 0.570 508 HD13 LEU 68 3HD1 LEU 68 -8.140 -7.950 1.931 509 HD21 LEU 68 3HD2 LEU 68 -6.169 -5.146 1.384 510 HD22 LEU 68 1HD2 LEU 68 -5.627 -6.676 2.072 511 HD23 LEU 68 2HD2 LEU 68 -7.246 -6.074 2.429 512 H GLY 69 H GLY 69 -4.436 -8.256 -2.817 513 HA2 GLY 69 1HA GLY 69 -2.543 -10.136 -2.001 514 HA3 GLY 69 2HA GLY 69 -2.863 -9.691 -3.670 515 H GLY 70 H GLY 70 -2.018 -7.134 -3.851 516 HA2 GLY 70 1HA GLY 70 0.786 -7.419 -4.027 517 HA3 GLY 70 2HA GLY 70 -0.107 -5.920 -4.239 518 H VAL 71 H VAL 71 -1.269 -5.764 -1.669 519 HA VAL 71 HA VAL 71 0.725 -4.423 -0.251 520 HB VAL 71 HB VAL 71 -1.849 -5.590 0.820 521 HG11 VAL 71 1HG1 VAL 71 -1.574 -4.392 2.755 522 HG12 VAL 71 2HG1 VAL 71 0.103 -4.814 2.405 523 HG13 VAL 71 3HG1 VAL 71 -0.507 -3.208 2.001 524 HG21 VAL 71 3HG2 VAL 71 -1.275 -2.789 -0.139 525 HG22 VAL 71 1HG2 VAL 71 -2.100 -4.023 -1.092 526 HG23 VAL 71 2HG2 VAL 71 -2.825 -3.433 0.403 527 H GLU 72 H GLU 72 -0.562 -7.701 0.164 528 HA GLU 72 HA GLU 72 0.639 -8.485 2.489 529 HB2 GLU 72 1HB GLU 72 0.150 -10.005 -0.063 530 HB3 GLU 72 2HB GLU 72 0.829 -10.784 1.359 531 HG2 GLU 72 1HG GLU 72 -1.191 -9.960 2.624 532 HG3 GLU 72 2HG GLU 72 -1.875 -9.514 1.062 533 H GLN 73 H GLN 73 2.112 -8.352 -0.727 534 HA GLN 73 HA GLN 73 4.608 -9.445 0.056 535 HB2 GLN 73 1HB GLN 73 3.646 -7.891 -2.320 536 HB3 GLN 73 2HB GLN 73 5.364 -8.199 -2.108 537 HG2 GLN 73 1HG GLN 73 4.137 -9.824 -3.568 538 HG3 GLN 73 2HG GLN 73 5.063 -10.534 -2.247 539 HE21 GLN 73 2HE2 GLN 73 2.353 -12.119 -0.819 540 HE22 GLN 73 1HE2 GLN 73 4.060 -11.861 -0.888 541 H LEU 74 H LEU 74 3.326 -6.175 -0.085 542 HA LEU 74 HA LEU 74 5.740 -4.785 0.292 543 HB2 LEU 74 1HB LEU 74 2.858 -4.167 0.722 544 HB3 LEU 74 2HB LEU 74 4.069 -3.073 1.389 545 HG LEU 74 HG LEU 74 3.796 -3.805 -1.527 546 HD11 LEU 74 1HD1 LEU 74 2.081 -2.371 -1.452 547 HD12 LEU 74 2HD1 LEU 74 3.323 -1.129 -1.306 548 HD13 LEU 74 3HD1 LEU 74 2.533 -1.759 0.139 549 HD21 LEU 74 3HD2 LEU 74 5.290 -1.414 -0.872 550 HD22 LEU 74 1HD2 LEU 74 5.739 -2.783 -1.889 551 HD23 LEU 74 2HD2 LEU 74 6.008 -2.853 -0.147 552 H GLN 75 H GLN 75 3.238 -5.677 2.673 553 HA GLN 75 HA GLN 75 4.322 -4.744 4.977 554 HB2 GLN 75 1HB GLN 75 2.718 -7.164 4.327 555 HB3 GLN 75 2HB GLN 75 3.430 -7.072 5.932 556 HG2 GLN 75 1HG GLN 75 2.359 -4.763 6.086 557 HG3 GLN 75 2HG GLN 75 1.421 -5.242 4.672 558 HE21 GLN 75 2HE2 GLN 75 -0.634 -7.504 6.391 559 HE22 GLN 75 1HE2 GLN 75 -0.001 -7.032 4.854 560 H ALA 76 H ALA 76 5.506 -7.377 3.041 561 HA ALA 76 HA ALA 76 7.266 -8.439 5.043 562 HB1 ALA 76 3HB ALA 76 8.274 -9.369 2.701 563 HB2 ALA 76 1HB ALA 76 6.947 -10.119 3.588 564 HB3 ALA 76 2HB ALA 76 6.605 -9.027 2.245 565 H LEU 77 H LEU 77 8.070 -7.013 1.874 566 HA LEU 77 HA LEU 77 10.724 -6.505 2.319 567 HB2 LEU 77 1HB LEU 77 10.393 -4.556 0.704 568 HB3 LEU 77 2HB LEU 77 9.966 -6.172 0.146 569 HG LEU 77 HG LEU 77 7.561 -5.406 0.982 570 HD11 LEU 77 1HD1 LEU 77 9.064 -3.039 1.238 571 HD12 LEU 77 2HD1 LEU 77 7.321 -3.245 1.404 572 HD13 LEU 77 3HD1 LEU 77 8.013 -2.830 -0.163 573 HD21 LEU 77 3HD2 LEU 77 7.522 -4.274 -1.478 574 HD22 LEU 77 1HD2 LEU 77 7.476 -6.012 -1.181 575 HD23 LEU 77 2HD2 LEU 77 9.006 -5.225 -1.571 576 H SER 78 H SER 78 7.991 -4.365 3.066 577 HA SER 78 HA SER 78 9.388 -2.154 3.974 578 HB2 SER 78 1HB SER 78 7.037 -1.946 3.719 579 HB3 SER 78 2HB SER 78 6.722 -3.299 4.805 580 HG SER 78 HG SER 78 6.868 -0.740 5.419 581 H SER 79 H SER 79 8.196 -4.904 5.900 582 HA SER 79 HA SER 79 9.726 -4.011 8.201 583 HB2 SER 79 1HB SER 79 8.680 -5.943 9.347 584 HB3 SER 79 2HB SER 79 7.484 -4.895 8.585 585 HG SER 79 HG SER 79 8.127 -6.655 6.770 586 H ARG 80 H ARG 80 11.864 -4.344 7.947 587 HA ARG 80 HA ARG 80 12.735 -7.115 7.510 588 HB2 ARG 80 1HB ARG 80 13.936 -4.648 6.242 589 HB3 ARG 80 2HB ARG 80 14.677 -6.242 6.210 590 HG2 ARG 80 1HG ARG 80 11.894 -5.975 5.212 591 HG3 ARG 80 2HG ARG 80 13.209 -5.351 4.213 592 HD2 ARG 80 1HD ARG 80 12.901 -8.164 5.254 593 HD3 ARG 80 2HD ARG 80 12.726 -7.630 3.583 594 HE ARG 80 HE ARG 80 15.194 -8.075 5.026 595 HH11 ARG 80 2HH1 ARG 80 13.656 -6.636 2.253 596 HH12 ARG 80 1HH1 ARG 80 15.113 -6.564 1.319 597 HH21 ARG 80 1HH2 ARG 80 17.082 -7.333 2.202 598 HH22 ARG 80 2HH2 ARG 80 17.119 -7.985 3.805 599 H LEU 81 H LEU 81 14.798 -7.635 8.440 600 HA LEU 81 HA LEU 81 15.968 -5.703 10.274 601 HB2 LEU 81 1HB LEU 81 14.470 -8.139 11.097 602 HB3 LEU 81 2HB LEU 81 15.912 -7.695 12.008 603 HG LEU 81 HG LEU 81 13.775 -5.656 11.562 604 HD11 LEU 81 1HD1 LEU 81 13.689 -7.604 13.847 605 HD12 LEU 81 2HD1 LEU 81 12.737 -7.818 12.379 606 HD13 LEU 81 3HD1 LEU 81 12.490 -6.395 13.390 607 HD21 LEU 81 3HD2 LEU 81 15.976 -5.092 12.580 608 HD22 LEU 81 1HD2 LEU 81 15.597 -6.196 13.902 609 HD23 LEU 81 2HD2 LEU 81 14.597 -4.768 13.632 610 H GLN 82 H GLN 82 17.941 -6.650 11.363 611 HA GLN 82 HA GLN 82 19.187 -8.790 9.802 612 HB2 GLN 82 1HB GLN 82 20.092 -5.957 9.983 613 HB3 GLN 82 2HB GLN 82 21.320 -7.215 9.980 614 HG2 GLN 82 1HG GLN 82 20.572 -8.030 7.858 615 HG3 GLN 82 2HG GLN 82 19.187 -6.939 7.879 616 HE21 GLN 82 2HE2 GLN 82 21.055 -4.797 5.892 617 HE22 GLN 82 1HE2 GLN 82 19.672 -5.819 6.053 618 H THR 83 H THR 83 20.372 -10.154 11.000 619 HA THR 83 HA THR 83 20.261 -10.150 13.778 620 HB THR 83 HB THR 83 22.319 -11.537 12.049 621 HG1 THR 83 1HG THR 83 19.988 -12.738 13.097 622 HG21 THR 83 3HG2 THR 83 21.940 -11.434 14.896 623 HG22 THR 83 1HG2 THR 83 23.188 -12.265 13.968 624 HG23 THR 83 2HG2 THR 83 21.656 -13.072 14.307 625 H GLU 84 H GLU 84 23.027 -9.323 11.685 626 HA GLU 84 HA GLU 84 24.230 -7.930 13.986 627 HB2 GLU 84 1HB GLU 84 25.451 -9.390 11.663 628 HB3 GLU 84 2HB GLU 84 26.365 -8.160 12.525 629 HG2 GLU 84 1HG GLU 84 25.906 -9.439 14.634 630 HG3 GLU 84 2HG GLU 84 25.251 -10.725 13.622 631 H ASN 85 H ASN 85 24.948 -5.843 13.756 632 HA ASN 85 HA ASN 85 23.666 -4.236 11.811 633 HB2 ASN 85 1HB ASN 85 24.470 -3.613 14.196 634 HB3 ASN 85 2HB ASN 85 26.026 -3.309 13.428 635 HD21 ASN 85 2HD2 ASN 85 25.143 -0.169 12.341 636 HD22 ASN 85 1HD2 ASN 85 26.361 -1.335 12.719 637 H SER 86 H SER 86 24.212 -4.425 9.724 638 HA SER 86 HA SER 86 26.728 -3.477 8.815 639 HB2 SER 86 1HB SER 86 27.130 -5.948 9.555 640 HB3 SER 86 2HB SER 86 26.281 -6.351 8.063 641 HG SER 86 HG SER 86 28.741 -5.036 8.415 642 H GLY 87 H GLY 87 26.920 -3.883 6.341 643 HA2 GLY 87 1HA GLY 87 24.314 -3.199 5.219 644 HA3 GLY 87 2HA GLY 87 25.872 -3.002 4.429 645 HA PRO 88 HA PRO 88 23.684 -6.672 2.584 646 HB2 PRO 88 2HB PRO 88 22.651 -5.384 0.986 647 HB3 PRO 88 1HB PRO 88 24.030 -5.896 0.006 648 HG2 PRO 88 1HG PRO 88 25.178 -3.908 0.355 649 HG3 PRO 88 2HG PRO 88 23.509 -3.310 0.379 650 HD2 PRO 88 1HD PRO 88 25.239 -2.883 2.418 651 HD3 PRO 88 2HD PRO 88 23.492 -3.077 2.672 652 H SER 89 H SER 89 25.497 -7.889 3.353 653 HA SER 89 HA SER 89 28.092 -7.873 2.608 654 HB2 SER 89 1HB SER 89 26.890 -9.540 4.131 655 HB3 SER 89 2HB SER 89 26.547 -10.465 2.670 656 HG SER 89 HG SER 89 29.023 -10.083 2.422 657 H SER 90 H SER 90 29.237 -8.069 0.799 658 HA SER 90 HA SER 90 28.110 -8.137 -1.734 659 HB2 SER 90 1HB SER 90 30.905 -8.815 -0.808 660 HB3 SER 90 2HB SER 90 30.454 -8.725 -2.510 661 HG SER 90 HG SER 90 31.337 -6.756 -1.395 662 H GLY 91 H GLY 91 27.123 -9.705 -2.810 663 HA2 GLY 91 1HA GLY 91 26.306 -11.828 -3.252 664 HA3 GLY 91 2HA GLY 91 28.013 -12.146 -3.526 Start of MODEL 8 1 H1 GLY 1 H GLY 1 28.067 13.339 5.038 2 HA2 GLY 1 1HA GLY 1 26.514 13.526 2.666 3 HA3 GLY 1 2HA GLY 1 28.020 14.412 2.481 4 H SER 2 H SER 2 28.667 12.962 0.833 5 HA SER 2 HA SER 2 29.676 11.115 -0.040 6 HB2 SER 2 1HB SER 2 30.680 11.164 2.793 7 HB3 SER 2 2HB SER 2 31.168 9.874 1.695 8 HG SER 2 HG SER 2 31.744 11.703 0.232 9 H SER 3 H SER 3 27.027 10.682 0.512 10 HA SER 3 HA SER 3 26.956 7.974 1.664 11 HB2 SER 3 1HB SER 3 25.472 9.722 2.699 12 HB3 SER 3 2HB SER 3 24.605 9.812 1.165 13 HG SER 3 HG SER 3 24.955 7.286 2.279 14 H GLY 4 H GLY 4 25.782 6.327 0.579 15 HA2 GLY 4 1HA GLY 4 25.287 6.873 -2.281 16 HA3 GLY 4 2HA GLY 4 26.169 5.446 -1.757 17 H SER 5 H SER 5 24.410 4.444 -3.094 18 HA SER 5 HA SER 5 21.725 4.442 -2.307 19 HB2 SER 5 1HB SER 5 23.253 2.176 -3.609 20 HB3 SER 5 2HB SER 5 21.504 2.403 -3.625 21 HG SER 5 HG SER 5 21.982 3.383 -5.445 22 H SER 6 H SER 6 20.502 3.013 -1.056 23 HA SER 6 HA SER 6 22.012 1.256 0.755 24 HB2 SER 6 1HB SER 6 20.166 3.496 1.447 25 HB3 SER 6 2HB SER 6 20.129 2.052 2.459 26 HG SER 6 HG SER 6 22.185 2.399 3.061 27 H GLY 7 H GLY 7 18.686 2.192 -0.148 28 HA2 GLY 7 1HA GLY 7 17.929 -0.287 -1.167 29 HA3 GLY 7 2HA GLY 7 17.540 -0.301 0.547 30 H MET 8 H MET 8 15.336 -0.313 0.360 31 HA MET 8 HA MET 8 14.146 2.114 -0.811 32 HB2 MET 8 1HB MET 8 13.525 0.350 -2.273 33 HB3 MET 8 2HB MET 8 13.167 -0.733 -0.934 34 HG2 MET 8 1HG MET 8 11.347 0.975 -0.319 35 HG3 MET 8 2HG MET 8 11.577 1.583 -1.958 36 HE1 MET 8 3HE MET 8 8.347 -0.563 -1.135 37 HE2 MET 8 1HE MET 8 9.405 -1.541 -0.118 38 HE3 MET 8 2HE MET 8 9.459 0.219 -0.010 39 H GLU 9 H GLU 9 13.041 3.315 0.586 40 HA GLU 9 HA GLU 9 12.833 2.746 3.300 41 HB2 GLU 9 1HB GLU 9 11.594 4.728 3.508 42 HB3 GLU 9 2HB GLU 9 12.612 4.999 2.101 43 HG2 GLU 9 1HG GLU 9 10.573 4.145 0.761 44 HG3 GLU 9 2HG GLU 9 9.672 4.500 2.234 45 HA PRO 10 HA PRO 10 9.378 0.074 3.752 46 HB2 PRO 10 2HB PRO 10 9.938 -0.062 5.976 47 HB3 PRO 10 1HB PRO 10 8.446 0.864 6.176 48 HG2 PRO 10 1HG PRO 10 9.576 2.882 6.382 49 HG3 PRO 10 2HG PRO 10 10.759 1.788 7.121 50 HD2 PRO 10 1HD PRO 10 11.375 3.412 5.044 51 HD3 PRO 10 2HD PRO 10 12.135 1.823 5.272 52 H VAL 11 H VAL 11 7.141 -0.017 3.559 53 HA VAL 11 HA VAL 11 5.882 2.283 2.438 54 HB VAL 11 HB VAL 11 4.616 -0.332 3.268 55 HG11 VAL 11 1HG1 VAL 11 3.068 0.419 1.301 56 HG12 VAL 11 2HG1 VAL 11 2.820 1.068 2.923 57 HG13 VAL 11 3HG1 VAL 11 3.665 2.028 1.707 58 HG21 VAL 11 3HG2 VAL 11 6.161 -1.035 1.719 59 HG22 VAL 11 1HG2 VAL 11 4.803 -0.634 0.668 60 HG23 VAL 11 2HG2 VAL 11 6.144 0.497 0.845 61 H GLU 12 H GLU 12 5.793 0.692 5.564 62 HA GLU 12 HA GLU 12 3.509 1.868 6.642 63 HB2 GLU 12 1HB GLU 12 4.229 1.092 8.697 64 HB3 GLU 12 2HB GLU 12 5.119 0.048 7.598 65 HG2 GLU 12 1HG GLU 12 7.025 1.716 7.809 66 HG3 GLU 12 2HG GLU 12 6.131 2.391 9.170 67 H THR 13 H THR 13 6.377 3.336 5.655 68 HA THR 13 HA THR 13 5.907 5.678 7.376 69 HB THR 13 HB THR 13 8.186 6.394 6.811 70 HG1 THR 13 1HG THR 13 8.244 3.954 5.336 71 HG21 THR 13 3HG2 THR 13 8.076 5.135 8.800 72 HG22 THR 13 1HG2 THR 13 9.407 4.426 7.887 73 HG23 THR 13 2HG2 THR 13 7.838 3.622 7.928 74 H TRP 14 H TRP 14 5.980 4.531 4.104 75 HA TRP 14 HA TRP 14 6.335 6.712 2.545 76 HB2 TRP 14 1HB TRP 14 4.241 4.552 2.304 77 HB3 TRP 14 2HB TRP 14 4.510 5.759 1.050 78 HD1 TRP 14 HD TRP 14 7.730 4.795 2.609 79 HE1 TRP 14 1HE TRP 14 9.006 3.155 1.091 80 HE3 TRP 14 3HE TRP 14 3.975 3.622 -0.656 81 HZ2 TRP 14 2HZ TRP 14 8.490 1.574 -1.190 82 HZ3 TRP 14 3HZ TRP 14 4.449 2.038 -2.478 83 HH2 TRP 14 HH TRP 14 6.660 1.037 -2.738 84 H THR 15 H THR 15 4.966 8.332 1.635 85 HA THR 15 HA THR 15 3.124 9.439 3.588 86 HB THR 15 HB THR 15 3.019 11.310 1.754 87 HG1 THR 15 1HG THR 15 4.164 9.961 0.200 88 HG21 THR 15 3HG2 THR 15 4.071 11.579 3.941 89 HG22 THR 15 1HG2 THR 15 5.052 12.329 2.683 90 HG23 THR 15 2HG2 THR 15 5.523 10.768 3.355 91 HA PRO 16 HA PRO 16 -0.643 8.358 1.611 92 HB2 PRO 16 2HB PRO 16 -1.728 9.466 3.306 93 HB3 PRO 16 1HB PRO 16 -2.142 10.587 2.003 94 HG2 PRO 16 1HG PRO 16 -0.463 12.082 2.583 95 HG3 PRO 16 2HG PRO 16 -0.876 11.443 4.185 96 HD2 PRO 16 1HD PRO 16 1.642 11.371 3.192 97 HD3 PRO 16 2HD PRO 16 1.009 10.121 4.283 98 H GLY 17 H GLY 17 1.445 10.515 0.265 99 HA2 GLY 17 1HA GLY 17 -0.368 11.255 -1.932 100 HA3 GLY 17 2HA GLY 17 1.175 12.020 -1.584 101 H LYS 18 H LYS 18 2.215 9.146 -1.154 102 HA LYS 18 HA LYS 18 3.008 8.779 -3.932 103 HB2 LYS 18 1HB LYS 18 3.963 7.360 -1.438 104 HB3 LYS 18 2HB LYS 18 4.679 7.228 -3.039 105 HG2 LYS 18 1HG LYS 18 5.630 9.313 -2.938 106 HG3 LYS 18 2HG LYS 18 4.448 9.915 -1.775 107 HD2 LYS 18 1HD LYS 18 6.342 9.684 -0.467 108 HD3 LYS 18 2HD LYS 18 5.510 8.154 -0.183 109 HE2 LYS 18 1HE LYS 18 6.916 7.131 -1.960 110 HE3 LYS 18 2HE LYS 18 7.805 8.648 -2.075 111 HZ1 LYS 18 3HZ LYS 18 9.122 7.686 -0.559 112 HZ2 LYS 18 1HZ LYS 18 7.947 6.572 -0.067 113 HZ3 LYS 18 2HZ LYS 18 7.931 8.147 0.551 114 H VAL 19 H VAL 19 1.344 7.034 -1.354 115 HA VAL 19 HA VAL 19 1.083 4.523 -2.375 116 HB VAL 19 HB VAL 19 -1.092 6.137 -1.038 117 HG11 VAL 19 1HG1 VAL 19 -0.899 3.145 -1.056 118 HG12 VAL 19 2HG1 VAL 19 -2.278 4.166 -0.643 119 HG13 VAL 19 3HG1 VAL 19 -1.761 4.016 -2.323 120 HG21 VAL 19 3HG2 VAL 19 0.188 4.110 0.567 121 HG22 VAL 19 1HG2 VAL 19 1.367 5.264 -0.057 122 HG23 VAL 19 2HG2 VAL 19 -0.011 5.833 0.885 123 H ALA 20 H ALA 20 -0.765 7.387 -3.318 124 HA ALA 20 HA ALA 20 -2.654 6.211 -4.973 125 HB1 ALA 20 3HB ALA 20 -1.760 8.832 -4.407 126 HB2 ALA 20 1HB ALA 20 -1.812 8.658 -6.162 127 HB3 ALA 20 2HB ALA 20 -3.254 8.333 -5.200 128 H THR 21 H THR 21 0.718 6.970 -5.592 129 HA THR 21 HA THR 21 0.580 6.443 -8.407 130 HB THR 21 HB THR 21 3.020 6.557 -6.623 131 HG1 THR 21 1HG THR 21 1.809 8.591 -8.217 132 HG21 THR 21 3HG2 THR 21 2.958 5.569 -9.114 133 HG22 THR 21 1HG2 THR 21 4.325 6.486 -8.483 134 HG23 THR 21 2HG2 THR 21 3.118 7.284 -9.492 135 H TRP 22 H TRP 22 1.312 4.591 -5.529 136 HA TRP 22 HA TRP 22 2.321 2.323 -7.002 137 HB2 TRP 22 1HB TRP 22 3.169 2.829 -4.750 138 HB3 TRP 22 2HB TRP 22 1.556 2.583 -4.085 139 HD1 TRP 22 HD TRP 22 4.558 0.659 -5.455 140 HE1 TRP 22 1HE TRP 22 4.294 -1.828 -4.847 141 HE3 TRP 22 3HE TRP 22 -0.200 0.782 -3.590 142 HZ2 TRP 22 2HZ TRP 22 2.327 -3.515 -3.726 143 HZ3 TRP 22 3HZ TRP 22 -1.200 -1.312 -2.771 144 HH2 TRP 22 HH TRP 22 0.039 -3.415 -2.839 145 H LEU 23 H LEU 23 -0.729 3.428 -5.784 146 HA LEU 23 HA LEU 23 -2.012 0.851 -5.934 147 HB2 LEU 23 1HB LEU 23 -2.901 3.643 -5.355 148 HB3 LEU 23 2HB LEU 23 -4.100 2.410 -5.741 149 HG LEU 23 HG LEU 23 -2.128 2.232 -3.464 150 HD11 LEU 23 1HD1 LEU 23 -3.593 3.236 -2.093 151 HD12 LEU 23 2HD1 LEU 23 -4.992 2.525 -2.897 152 HD13 LEU 23 3HD1 LEU 23 -4.218 3.956 -3.577 153 HD21 LEU 23 3HD2 LEU 23 -2.684 0.047 -3.875 154 HD22 LEU 23 1HD2 LEU 23 -4.270 0.458 -4.531 155 HD23 LEU 23 2HD2 LEU 23 -3.996 0.510 -2.789 156 H ARG 24 H ARG 24 -1.858 3.780 -7.900 157 HA ARG 24 HA ARG 24 -3.784 2.984 -9.814 158 HB2 ARG 24 1HB ARG 24 -2.935 4.796 -11.174 159 HB3 ARG 24 2HB ARG 24 -3.029 5.322 -9.499 160 HG2 ARG 24 1HG ARG 24 -0.978 6.134 -10.025 161 HG3 ARG 24 2HG ARG 24 -0.509 4.520 -9.487 162 HD2 ARG 24 1HD ARG 24 0.615 4.618 -11.475 163 HD3 ARG 24 2HD ARG 24 -0.913 3.928 -12.020 164 HE ARG 24 HE ARG 24 -0.886 6.788 -12.131 165 HH11 ARG 24 2HH1 ARG 24 0.049 3.880 -13.802 166 HH12 ARG 24 1HH1 ARG 24 0.041 4.622 -15.368 167 HH21 ARG 24 1HH2 ARG 24 -0.497 6.838 -15.585 168 HH22 ARG 24 2HH2 ARG 24 -0.899 7.776 -14.187 169 H GLY 25 H GLY 25 -0.339 2.419 -9.482 170 HA2 GLY 25 1HA GLY 25 0.042 1.407 -12.130 171 HA3 GLY 25 2HA GLY 25 1.156 1.239 -10.781 172 H LEU 26 H LEU 26 -0.843 -0.021 -9.054 173 HA LEU 26 HA LEU 26 -0.287 -2.653 -9.325 174 HB2 LEU 26 1HB LEU 26 -2.595 -1.183 -8.181 175 HB3 LEU 26 2HB LEU 26 -2.757 -2.928 -8.368 176 HG LEU 26 HG LEU 26 -0.353 -1.851 -6.971 177 HD11 LEU 26 1HD1 LEU 26 -2.941 -1.142 -6.172 178 HD12 LEU 26 2HD1 LEU 26 -1.450 -1.004 -5.241 179 HD13 LEU 26 3HD1 LEU 26 -2.446 -2.453 -5.101 180 HD21 LEU 26 3HD2 LEU 26 -1.923 -4.187 -6.050 181 HD22 LEU 26 1HD2 LEU 26 -0.177 -3.951 -6.133 182 HD23 LEU 26 2HD2 LEU 26 -1.083 -4.341 -7.595 183 H ASP 27 H ASP 27 -3.054 -0.998 -10.817 184 HA ASP 27 HA ASP 27 -2.993 -2.588 -13.144 185 HB2 ASP 27 1HB ASP 27 -4.765 -3.492 -10.929 186 HB3 ASP 27 2HB ASP 27 -5.420 -3.540 -12.564 187 H ASP 28 H ASP 28 -4.737 -2.070 -14.637 188 HA ASP 28 HA ASP 28 -5.474 0.679 -14.465 189 HB2 ASP 28 1HB ASP 28 -6.812 0.046 -16.593 190 HB3 ASP 28 2HB ASP 28 -5.053 -0.036 -16.648 191 H SER 29 H SER 29 -7.193 -2.376 -14.087 192 HA SER 29 HA SER 29 -9.810 -1.501 -14.057 193 HB2 SER 29 1HB SER 29 -8.626 -3.622 -12.250 194 HB3 SER 29 2HB SER 29 -10.322 -3.466 -12.707 195 HG SER 29 HG SER 29 -8.298 -4.655 -14.038 196 H LEU 30 H LEU 30 -7.310 -0.912 -11.766 197 HA LEU 30 HA LEU 30 -9.238 0.071 -9.783 198 HB2 LEU 30 1HB LEU 30 -6.263 -0.153 -9.428 199 HB3 LEU 30 2HB LEU 30 -7.501 -0.004 -8.182 200 HG LEU 30 HG LEU 30 -7.227 -2.424 -9.955 201 HD11 LEU 30 1HD1 LEU 30 -5.220 -2.523 -8.831 202 HD12 LEU 30 2HD1 LEU 30 -6.288 -3.385 -7.724 203 HD13 LEU 30 3HD1 LEU 30 -5.855 -1.706 -7.403 204 HD21 LEU 30 3HD2 LEU 30 -9.319 -2.602 -9.067 205 HD22 LEU 30 1HD2 LEU 30 -8.919 -1.641 -7.643 206 HD23 LEU 30 2HD2 LEU 30 -8.389 -3.320 -7.750 207 H GLN 31 H GLN 31 -6.693 1.076 -11.949 208 HA GLN 31 HA GLN 31 -5.962 3.537 -11.052 209 HB2 GLN 31 1HB GLN 31 -6.407 2.431 -13.786 210 HB3 GLN 31 2HB GLN 31 -6.108 4.156 -13.627 211 HG2 GLN 31 1HG GLN 31 -4.047 3.531 -12.294 212 HG3 GLN 31 2HG GLN 31 -4.310 1.882 -12.859 213 HE21 GLN 31 2HE2 GLN 31 -2.833 2.409 -15.927 214 HE22 GLN 31 1HE2 GLN 31 -3.463 1.322 -14.742 215 H ASP 32 H ASP 32 -9.095 2.568 -12.083 216 HA ASP 32 HA ASP 32 -10.143 5.116 -12.754 217 HB2 ASP 32 1HB ASP 32 -11.272 3.106 -13.490 218 HB3 ASP 32 2HB ASP 32 -11.516 2.588 -11.824 219 H TYR 33 H TYR 33 -10.247 3.187 -9.771 220 HA TYR 33 HA TYR 33 -11.813 4.818 -8.200 221 HB2 TYR 33 1HB TYR 33 -9.456 3.075 -7.502 222 HB3 TYR 33 2HB TYR 33 -10.377 3.929 -6.270 223 HD1 TYR 33 1HD TYR 33 -10.584 1.342 -8.902 224 HD2 TYR 33 2HD TYR 33 -12.494 3.129 -5.547 225 HE1 TYR 33 1HE TYR 33 -12.214 -0.499 -8.858 226 HE2 TYR 33 2HE TYR 33 -14.129 1.293 -5.493 227 HH TYR 33 HH TYR 33 -13.723 -1.582 -7.205 228 HA PRO 34 HA PRO 34 -9.513 8.574 -7.845 229 HB2 PRO 34 2HB PRO 34 -11.533 9.577 -7.405 230 HB3 PRO 34 1HB PRO 34 -10.889 9.639 -5.761 231 HG2 PRO 34 1HG PRO 34 -12.078 7.762 -5.088 232 HG3 PRO 34 2HG PRO 34 -13.214 8.441 -6.269 233 HD2 PRO 34 1HD PRO 34 -12.283 5.904 -6.434 234 HD3 PRO 34 2HD PRO 34 -12.685 6.869 -7.869 235 H PHE 35 H PHE 35 -7.603 7.329 -7.118 236 HA PHE 35 HA PHE 35 -7.165 6.733 -4.387 237 HB2 PHE 35 1HB PHE 35 -5.207 7.192 -6.645 238 HB3 PHE 35 2HB PHE 35 -4.763 6.578 -5.056 239 HD1 PHE 35 2HD PHE 35 -6.303 4.509 -4.291 240 HD2 PHE 35 1HD PHE 35 -5.472 5.647 -8.308 241 HE1 PHE 35 2HE PHE 35 -6.798 2.218 -5.039 242 HE2 PHE 35 1HE PHE 35 -5.966 3.358 -9.062 243 HZ PHE 35 HZ PHE 35 -6.628 1.639 -7.427 244 H GLU 36 H GLU 36 -6.285 9.507 -6.411 245 HA GLU 36 HA GLU 36 -4.728 10.920 -4.610 246 HB2 GLU 36 1HB GLU 36 -6.536 11.759 -6.850 247 HB3 GLU 36 2HB GLU 36 -5.765 12.977 -5.842 248 HG2 GLU 36 1HG GLU 36 -3.614 12.330 -6.513 249 HG3 GLU 36 2HG GLU 36 -4.194 10.812 -7.195 250 H ASP 37 H ASP 37 -8.039 10.176 -4.422 251 HA ASP 37 HA ASP 37 -8.652 12.390 -2.624 252 HB2 ASP 37 1HB ASP 37 -10.289 10.229 -3.921 253 HB3 ASP 37 2HB ASP 37 -10.932 11.151 -2.565 254 H TRP 38 H TRP 38 -8.218 8.897 -2.579 255 HA TRP 38 HA TRP 38 -9.129 8.214 -0.093 256 HB2 TRP 38 1HB TRP 38 -6.692 7.259 -1.592 257 HB3 TRP 38 2HB TRP 38 -7.207 6.533 -0.071 258 HD1 TRP 38 HD TRP 38 -9.818 7.612 -2.640 259 HE1 TRP 38 1HE TRP 38 -10.973 5.512 -3.577 260 HE3 TRP 38 3HE TRP 38 -6.837 4.037 -0.527 261 HZ2 TRP 38 2HZ TRP 38 -10.662 2.710 -3.438 262 HZ3 TRP 38 3HZ TRP 38 -7.334 1.670 -0.979 263 HH2 TRP 38 HH TRP 38 -9.208 1.022 -2.404 264 H GLN 39 H GLN 39 -6.118 9.858 -0.899 265 HA GLN 39 HA GLN 39 -4.443 10.711 0.414 266 HB2 GLN 39 1HB GLN 39 -6.983 11.576 1.781 267 HB3 GLN 39 2HB GLN 39 -5.404 12.127 2.326 268 HG2 GLN 39 1HG GLN 39 -6.124 12.441 -0.543 269 HG3 GLN 39 2HG GLN 39 -6.824 13.540 0.644 270 HE21 GLN 39 2HE2 GLN 39 -3.896 15.321 -0.392 271 HE22 GLN 39 1HE2 GLN 39 -5.513 14.969 -0.889 272 H LEU 40 H LEU 40 -4.853 7.990 0.951 273 HA LEU 40 HA LEU 40 -4.764 7.726 3.857 274 HB2 LEU 40 1HB LEU 40 -6.117 6.113 2.715 275 HB3 LEU 40 2HB LEU 40 -4.793 5.703 1.626 276 HG LEU 40 HG LEU 40 -3.611 4.988 3.871 277 HD11 LEU 40 1HD1 LEU 40 -6.451 5.308 4.603 278 HD12 LEU 40 2HD1 LEU 40 -5.001 5.390 5.603 279 HD13 LEU 40 3HD1 LEU 40 -5.665 3.823 5.140 280 HD21 LEU 40 3HD2 LEU 40 -3.748 3.096 2.717 281 HD22 LEU 40 1HD2 LEU 40 -5.193 3.658 1.876 282 HD23 LEU 40 2HD2 LEU 40 -5.342 2.830 3.426 283 HA PRO 41 HA PRO 41 -0.324 7.897 3.765 284 HB2 PRO 41 2HB PRO 41 -0.480 8.901 5.826 285 HB3 PRO 41 1HB PRO 41 0.047 7.311 6.390 286 HG2 PRO 41 1HG PRO 41 -2.110 6.653 6.944 287 HG3 PRO 41 2HG PRO 41 -2.221 8.390 7.280 288 HD2 PRO 41 1HD PRO 41 -3.912 7.123 5.588 289 HD3 PRO 41 2HD PRO 41 -3.421 8.813 5.359 290 H GLY 42 H GLY 42 1.463 6.461 4.030 291 HA2 GLY 42 1HA GLY 42 0.996 3.819 3.250 292 HA3 GLY 42 2HA GLY 42 2.516 4.428 3.890 293 H LYS 43 H LYS 43 1.761 5.120 6.463 294 HA LYS 43 HA LYS 43 2.092 2.798 7.886 295 HB2 LYS 43 1HB LYS 43 1.187 4.054 9.848 296 HB3 LYS 43 2HB LYS 43 2.418 4.928 8.945 297 HG2 LYS 43 1HG LYS 43 0.917 6.463 8.118 298 HG3 LYS 43 2HG LYS 43 -0.462 5.379 8.314 299 HD2 LYS 43 1HD LYS 43 -0.483 5.703 10.671 300 HD3 LYS 43 2HD LYS 43 1.073 6.534 10.635 301 HE2 LYS 43 1HE LYS 43 -1.260 7.615 9.104 302 HE3 LYS 43 2HE LYS 43 -1.115 7.917 10.835 303 HZ1 LYS 43 3HZ LYS 43 1.361 8.460 9.693 304 HZ2 LYS 43 1HZ LYS 43 0.266 9.562 10.363 305 HZ3 LYS 43 2HZ LYS 43 0.205 9.208 8.711 306 H ASN 44 H ASN 44 -0.881 4.191 6.677 307 HA ASN 44 HA ASN 44 -2.525 2.271 8.108 308 HB2 ASN 44 1HB ASN 44 -3.060 4.639 6.358 309 HB3 ASN 44 2HB ASN 44 -4.329 3.438 6.581 310 HD21 ASN 44 2HD2 ASN 44 -4.769 6.057 9.123 311 HD22 ASN 44 1HD2 ASN 44 -4.761 5.972 7.397 312 H LEU 45 H LEU 45 -1.432 2.920 4.820 313 HA LEU 45 HA LEU 45 -2.955 1.269 3.296 314 HB2 LEU 45 1HB LEU 45 -1.145 2.623 2.403 315 HB3 LEU 45 2HB LEU 45 0.042 1.569 3.169 316 HG LEU 45 HG LEU 45 -0.844 -0.287 1.699 317 HD11 LEU 45 1HD1 LEU 45 -1.804 1.443 -0.370 318 HD12 LEU 45 2HD1 LEU 45 -2.780 1.650 1.084 319 HD13 LEU 45 3HD1 LEU 45 -2.586 0.048 0.372 320 HD21 LEU 45 3HD2 LEU 45 0.611 0.254 -0.039 321 HD22 LEU 45 1HD2 LEU 45 1.227 1.188 1.324 322 HD23 LEU 45 2HD2 LEU 45 0.262 1.980 0.077 323 H LEU 46 H LEU 46 -0.092 0.257 5.154 324 HA LEU 46 HA LEU 46 -0.400 -2.504 4.521 325 HB2 LEU 46 1HB LEU 46 1.158 -1.127 6.702 326 HB3 LEU 46 2HB LEU 46 1.265 -2.847 6.332 327 HG LEU 46 HG LEU 46 1.976 -0.663 4.379 328 HD11 LEU 46 1HD1 LEU 46 3.659 -2.154 6.368 329 HD12 LEU 46 2HD1 LEU 46 3.547 -0.414 6.103 330 HD13 LEU 46 3HD1 LEU 46 4.340 -1.438 4.907 331 HD21 LEU 46 3HD2 LEU 46 2.913 -3.500 4.293 332 HD22 LEU 46 1HD2 LEU 46 2.760 -2.327 2.984 333 HD23 LEU 46 2HD2 LEU 46 1.318 -3.077 3.669 334 H GLN 47 H GLN 47 -1.778 -0.407 6.881 335 HA GLN 47 HA GLN 47 -2.683 -2.635 8.538 336 HB2 GLN 47 1HB GLN 47 -2.923 0.357 8.866 337 HB3 GLN 47 2HB GLN 47 -3.635 -0.806 9.976 338 HG2 GLN 47 1HG GLN 47 -1.162 -1.722 10.046 339 HG3 GLN 47 2HG GLN 47 -0.793 -0.067 9.562 340 HE21 GLN 47 2HE2 GLN 47 -2.021 1.359 12.604 341 HE22 GLN 47 1HE2 GLN 47 -2.003 1.617 10.896 342 H LEU 48 H LEU 48 -3.640 -1.711 5.720 343 HA LEU 48 HA LEU 48 -6.372 -0.980 6.068 344 HB2 LEU 48 1HB LEU 48 -4.633 -1.781 3.804 345 HB3 LEU 48 2HB LEU 48 -6.373 -1.955 3.588 346 HG LEU 48 HG LEU 48 -5.000 0.626 4.333 347 HD11 LEU 48 1HD1 LEU 48 -4.694 1.119 2.174 348 HD12 LEU 48 2HD1 LEU 48 -6.226 0.394 1.690 349 HD13 LEU 48 3HD1 LEU 48 -4.802 -0.622 1.914 350 HD21 LEU 48 3HD2 LEU 48 -7.570 -0.020 4.765 351 HD22 LEU 48 1HD2 LEU 48 -7.680 0.549 3.099 352 HD23 LEU 48 2HD2 LEU 48 -7.033 1.609 4.352 353 H CYS 49 H CYS 49 -8.181 -2.334 5.208 354 HA CYS 49 HA CYS 49 -7.800 -5.209 5.476 355 HB2 CYS 49 1HB CYS 49 -9.287 -3.507 7.410 356 HB3 CYS 49 2HB CYS 49 -10.012 -5.049 6.974 357 HG CYS 49 HG CYS 49 -8.793 -6.037 9.045 358 HA PRO 50 HA PRO 50 -10.901 -5.500 2.390 359 HB2 PRO 50 2HB PRO 50 -10.625 -7.780 2.453 360 HB3 PRO 50 1HB PRO 50 -12.262 -7.734 3.117 361 HG2 PRO 50 1HG PRO 50 -11.517 -7.941 5.306 362 HG3 PRO 50 2HG PRO 50 -10.278 -8.891 4.466 363 HD2 PRO 50 1HD PRO 50 -9.668 -6.801 6.076 364 HD3 PRO 50 2HD PRO 50 -8.695 -7.226 4.653 365 H GLN 51 H GLN 51 -11.832 -5.168 5.686 366 HA GLN 51 HA GLN 51 -14.653 -4.827 5.064 367 HB2 GLN 51 1HB GLN 51 -13.081 -4.746 7.635 368 HB3 GLN 51 2HB GLN 51 -14.785 -4.317 7.557 369 HG2 GLN 51 1HG GLN 51 -14.940 -6.507 8.156 370 HG3 GLN 51 2HG GLN 51 -15.000 -6.657 6.400 371 HE21 GLN 51 2HE2 GLN 51 -12.651 -9.202 7.415 372 HE22 GLN 51 1HE2 GLN 51 -14.348 -8.884 7.439 373 H SER 52 H SER 52 -11.824 -2.913 5.794 374 HA SER 52 HA SER 52 -13.289 -0.467 6.183 375 HB2 SER 52 1HB SER 52 -11.223 0.544 6.602 376 HB3 SER 52 2HB SER 52 -10.955 -1.117 7.133 377 HG SER 52 HG SER 52 -10.108 -1.460 4.939 378 H LEU 53 H LEU 53 -11.411 -1.944 3.580 379 HA LEU 53 HA LEU 53 -11.270 0.137 1.784 380 HB2 LEU 53 1HB LEU 53 -11.477 -2.820 1.492 381 HB3 LEU 53 2HB LEU 53 -11.596 -1.814 0.049 382 HG LEU 53 HG LEU 53 -9.274 -1.453 1.892 383 HD11 LEU 53 1HD1 LEU 53 -8.360 -3.433 1.484 384 HD12 LEU 53 2HD1 LEU 53 -8.672 -3.283 -0.245 385 HD13 LEU 53 3HD1 LEU 53 -9.909 -3.951 0.819 386 HD21 LEU 53 3HD2 LEU 53 -8.384 -1.316 -0.667 387 HD22 LEU 53 1HD2 LEU 53 -8.963 0.064 0.265 388 HD23 LEU 53 2HD2 LEU 53 -10.048 -0.760 -0.855 389 H GLU 54 H GLU 54 -14.000 -1.959 2.507 390 HA GLU 54 HA GLU 54 -15.683 -1.355 0.391 391 HB2 GLU 54 1HB GLU 54 -16.460 -1.801 3.279 392 HB3 GLU 54 2HB GLU 54 -17.539 -1.928 1.897 393 HG2 GLU 54 1HG GLU 54 -16.245 -3.795 1.035 394 HG3 GLU 54 2HG GLU 54 -15.123 -3.655 2.388 395 H ALA 55 H ALA 55 -14.947 0.509 3.271 396 HA ALA 55 HA ALA 55 -17.013 2.404 3.086 397 HB1 ALA 55 3HB ALA 55 -15.158 1.929 4.925 398 HB2 ALA 55 1HB ALA 55 -14.366 3.273 4.102 399 HB3 ALA 55 2HB ALA 55 -15.974 3.487 4.795 400 H LEU 56 H LEU 56 -13.907 2.155 1.480 401 HA LEU 56 HA LEU 56 -14.118 4.803 0.322 402 HB2 LEU 56 1HB LEU 56 -12.143 2.619 -0.311 403 HB3 LEU 56 2HB LEU 56 -12.004 4.327 -0.722 404 HG LEU 56 HG LEU 56 -11.933 3.191 2.073 405 HD11 LEU 56 1HD1 LEU 56 -9.930 2.533 1.033 406 HD12 LEU 56 2HD1 LEU 56 -9.533 4.000 1.927 407 HD13 LEU 56 3HD1 LEU 56 -9.771 4.070 0.181 408 HD21 LEU 56 3HD2 LEU 56 -12.501 5.286 2.619 409 HD22 LEU 56 1HD2 LEU 56 -12.182 5.897 0.996 410 HD23 LEU 56 2HD2 LEU 56 -10.855 5.704 2.142 411 H ALA 57 H ALA 57 -16.124 2.660 -0.248 412 HA ALA 57 HA ALA 57 -17.444 2.097 -2.020 413 HB1 ALA 57 3HB ALA 57 -16.757 4.443 -2.775 414 HB2 ALA 57 1HB ALA 57 -15.622 3.626 -3.849 415 HB3 ALA 57 2HB ALA 57 -17.354 3.330 -4.005 416 H VAL 58 H VAL 58 -15.038 0.585 -1.211 417 HA VAL 58 HA VAL 58 -14.566 -0.869 -3.733 418 HB VAL 58 HB VAL 58 -12.700 -0.593 -1.373 419 HG11 VAL 58 1HG1 VAL 58 -11.765 -2.497 -2.029 420 HG12 VAL 58 2HG1 VAL 58 -12.897 -2.632 -3.376 421 HG13 VAL 58 3HG1 VAL 58 -11.388 -1.741 -3.577 422 HG21 VAL 58 3HG2 VAL 58 -11.300 0.274 -3.496 423 HG22 VAL 58 1HG2 VAL 58 -12.924 0.750 -3.992 424 HG23 VAL 58 2HG2 VAL 58 -12.260 1.338 -2.468 425 H ARG 59 H ARG 59 -16.371 -2.221 -3.374 426 HA ARG 59 HA ARG 59 -16.206 -3.993 -1.037 427 HB2 ARG 59 1HB ARG 59 -18.462 -3.361 -2.939 428 HB3 ARG 59 2HB ARG 59 -18.539 -4.671 -1.769 429 HG2 ARG 59 1HG ARG 59 -18.296 -3.098 0.056 430 HG3 ARG 59 2HG ARG 59 -18.124 -1.768 -1.091 431 HD2 ARG 59 1HD ARG 59 -20.425 -2.582 -1.980 432 HD3 ARG 59 2HD ARG 59 -20.546 -3.389 -0.417 433 HE ARG 59 HE ARG 59 -19.851 -0.613 -0.212 434 HH11 ARG 59 2HH1 ARG 59 -22.475 -2.880 -0.516 435 HH12 ARG 59 1HH1 ARG 59 -23.646 -1.819 0.194 436 HH21 ARG 59 1HH2 ARG 59 -23.025 0.270 0.899 437 HH22 ARG 59 2HH2 ARG 59 -21.384 0.793 0.725 438 H SER 60 H SER 60 -16.591 -4.044 -4.563 439 HA SER 60 HA SER 60 -16.806 -6.677 -5.134 440 HB2 SER 60 1HB SER 60 -16.373 -4.564 -6.673 441 HB3 SER 60 2HB SER 60 -14.720 -5.178 -6.663 442 HG SER 60 HG SER 60 -17.045 -6.321 -7.723 443 H LEU 61 H LEU 61 -15.776 -8.426 -4.461 444 HA LEU 61 HA LEU 61 -13.416 -8.444 -2.986 445 HB2 LEU 61 1HB LEU 61 -15.223 -10.246 -3.229 446 HB3 LEU 61 2HB LEU 61 -14.322 -10.772 -4.649 447 HG LEU 61 HG LEU 61 -13.705 -12.174 -2.823 448 HD11 LEU 61 1HD1 LEU 61 -11.428 -12.057 -3.025 449 HD12 LEU 61 2HD1 LEU 61 -11.391 -10.301 -2.873 450 HD13 LEU 61 3HD1 LEU 61 -11.921 -11.044 -4.382 451 HD21 LEU 61 3HD2 LEU 61 -14.434 -10.690 -1.009 452 HD22 LEU 61 1HD2 LEU 61 -13.028 -9.663 -1.294 453 HD23 LEU 61 2HD2 LEU 61 -12.809 -11.321 -0.732 454 H GLY 62 H GLY 62 -13.919 -9.216 -6.425 455 HA2 GLY 62 1HA GLY 62 -11.391 -9.967 -7.169 456 HA3 GLY 62 2HA GLY 62 -12.471 -9.049 -8.208 457 H HIS 63 H HIS 63 -12.592 -6.631 -6.914 458 HA HIS 63 HA HIS 63 -10.183 -5.412 -7.753 459 HB2 HIS 63 1HB HIS 63 -12.567 -4.412 -6.207 460 HB3 HIS 63 2HB HIS 63 -11.186 -3.375 -6.552 461 HD1 HIS 63 1HD HIS 63 -14.310 -3.449 -7.712 462 HD2 HIS 63 2HD HIS 63 -10.729 -4.164 -9.694 463 HE1 HIS 63 1HE HIS 63 -14.791 -3.022 -10.143 464 HE2 HIS 63 2HE HIS 63 -12.632 -3.543 -11.332 465 H GLN 64 H GLN 64 -11.476 -6.222 -4.561 466 HA GLN 64 HA GLN 64 -9.507 -4.974 -3.012 467 HB2 GLN 64 1HB GLN 64 -11.308 -7.331 -2.518 468 HB3 GLN 64 2HB GLN 64 -10.147 -6.800 -1.309 469 HG2 GLN 64 1HG GLN 64 -11.221 -4.741 -1.017 470 HG3 GLN 64 2HG GLN 64 -12.148 -4.918 -2.506 471 HE21 GLN 64 2HE2 GLN 64 -14.748 -5.691 -0.271 472 HE22 GLN 64 1HE2 GLN 64 -14.009 -4.446 -1.213 473 H GLU 65 H GLU 65 -9.733 -8.401 -3.979 474 HA GLU 65 HA GLU 65 -7.430 -9.390 -2.924 475 HB2 GLU 65 1HB GLU 65 -8.928 -10.836 -4.115 476 HB3 GLU 65 2HB GLU 65 -8.659 -9.968 -5.620 477 HG2 GLU 65 1HG GLU 65 -7.489 -12.096 -5.603 478 HG3 GLU 65 2HG GLU 65 -6.358 -10.746 -5.681 479 H LEU 66 H LEU 66 -7.721 -7.664 -6.015 480 HA LEU 66 HA LEU 66 -5.143 -7.842 -6.941 481 HB2 LEU 66 1HB LEU 66 -7.028 -5.495 -7.058 482 HB3 LEU 66 2HB LEU 66 -5.540 -5.614 -7.994 483 HG LEU 66 HG LEU 66 -7.708 -7.677 -8.233 484 HD11 LEU 66 1HD1 LEU 66 -8.398 -5.182 -8.664 485 HD12 LEU 66 2HD1 LEU 66 -8.882 -6.461 -9.776 486 HD13 LEU 66 3HD1 LEU 66 -7.511 -5.424 -10.169 487 HD21 LEU 66 3HD2 LEU 66 -5.766 -6.754 -10.323 488 HD22 LEU 66 1HD2 LEU 66 -6.648 -8.278 -10.220 489 HD23 LEU 66 2HD2 LEU 66 -5.311 -7.957 -9.115 490 H ILE 67 H ILE 67 -6.436 -5.496 -4.614 491 HA ILE 67 HA ILE 67 -3.900 -4.202 -4.246 492 HB ILE 67 HB ILE 67 -6.450 -4.024 -2.639 493 HG12 ILE 67 1HG1 ILE 67 -5.275 -1.983 -4.525 494 HG13 ILE 67 2HG1 ILE 67 -6.421 -3.208 -5.057 495 HG21 ILE 67 1HG2 ILE 67 -4.419 -3.473 -1.328 496 HG22 ILE 67 2HG2 ILE 67 -4.033 -2.228 -2.515 497 HG23 ILE 67 3HG2 ILE 67 -5.503 -2.100 -1.549 498 HD11 ILE 67 3HD1 ILE 67 -7.946 -1.645 -4.595 499 HD12 ILE 67 1HD1 ILE 67 -7.724 -2.162 -2.924 500 HD13 ILE 67 2HD1 ILE 67 -6.858 -0.751 -3.534 501 H LEU 68 H LEU 68 -5.971 -5.915 -1.898 502 HA LEU 68 HA LEU 68 -4.335 -6.233 0.194 503 HB2 LEU 68 1HB LEU 68 -6.245 -8.148 -1.071 504 HB3 LEU 68 2HB LEU 68 -5.297 -8.657 0.325 505 HG LEU 68 HG LEU 68 -7.688 -7.763 0.692 506 HD11 LEU 68 1HD1 LEU 68 -5.215 -7.110 2.210 507 HD12 LEU 68 2HD1 LEU 68 -6.561 -8.165 2.639 508 HD13 LEU 68 3HD1 LEU 68 -6.745 -6.414 2.743 509 HD21 LEU 68 3HD2 LEU 68 -7.528 -5.767 -0.662 510 HD22 LEU 68 1HD2 LEU 68 -6.174 -5.183 0.305 511 HD23 LEU 68 2HD2 LEU 68 -7.779 -5.319 1.026 512 H GLY 69 H GLY 69 -4.224 -8.291 -2.706 513 HA2 GLY 69 1HA GLY 69 -2.243 -10.061 -1.962 514 HA3 GLY 69 2HA GLY 69 -2.496 -9.506 -3.610 515 H GLY 70 H GLY 70 -1.659 -7.092 -3.863 516 HA2 GLY 70 1HA GLY 70 1.126 -7.195 -3.742 517 HA3 GLY 70 2HA GLY 70 0.184 -5.732 -3.995 518 H VAL 71 H VAL 71 -1.162 -5.609 -1.547 519 HA VAL 71 HA VAL 71 0.682 -4.258 0.051 520 HB VAL 71 HB VAL 71 -1.951 -5.471 0.903 521 HG11 VAL 71 1HG1 VAL 71 -1.793 -4.395 2.882 522 HG12 VAL 71 2HG1 VAL 71 -0.061 -4.526 2.571 523 HG13 VAL 71 3HG1 VAL 71 -0.916 -3.030 2.192 524 HG21 VAL 71 3HG2 VAL 71 -1.250 -2.794 -0.284 525 HG22 VAL 71 1HG2 VAL 71 -2.354 -4.010 -0.926 526 HG23 VAL 71 2HG2 VAL 71 -2.776 -3.121 0.537 527 H GLU 72 H GLU 72 -0.603 -7.551 0.341 528 HA GLU 72 HA GLU 72 0.496 -8.289 2.763 529 HB2 GLU 72 1HB GLU 72 0.000 -9.884 0.255 530 HB3 GLU 72 2HB GLU 72 0.585 -10.628 1.736 531 HG2 GLU 72 1HG GLU 72 -1.391 -10.104 2.902 532 HG3 GLU 72 2HG GLU 72 -1.929 -8.994 1.643 533 H GLN 73 H GLN 73 1.989 -8.488 -0.457 534 HA GLN 73 HA GLN 73 4.434 -9.588 0.415 535 HB2 GLN 73 1HB GLN 73 3.518 -8.176 -2.055 536 HB3 GLN 73 2HB GLN 73 5.239 -8.444 -1.815 537 HG2 GLN 73 1HG GLN 73 3.362 -10.734 -1.509 538 HG3 GLN 73 2HG GLN 73 3.778 -10.167 -3.126 539 HE21 GLN 73 2HE2 GLN 73 6.134 -12.840 -2.191 540 HE22 GLN 73 1HE2 GLN 73 4.424 -12.693 -2.390 541 H LEU 74 H LEU 74 3.295 -6.279 0.078 542 HA LEU 74 HA LEU 74 5.744 -4.952 0.369 543 HB2 LEU 74 1HB LEU 74 2.907 -4.200 0.974 544 HB3 LEU 74 2HB LEU 74 4.235 -3.104 1.353 545 HG LEU 74 HG LEU 74 3.585 -4.150 -1.402 546 HD11 LEU 74 1HD1 LEU 74 3.211 -1.436 -1.415 547 HD12 LEU 74 2HD1 LEU 74 2.543 -1.911 0.146 548 HD13 LEU 74 3HD1 LEU 74 1.934 -2.650 -1.334 549 HD21 LEU 74 3HD2 LEU 74 5.952 -3.070 -0.378 550 HD22 LEU 74 1HD2 LEU 74 5.179 -1.760 -1.271 551 HD23 LEU 74 2HD2 LEU 74 5.520 -3.292 -2.074 552 H GLN 75 H GLN 75 3.270 -5.610 2.856 553 HA GLN 75 HA GLN 75 4.457 -4.642 5.085 554 HB2 GLN 75 1HB GLN 75 2.945 -7.227 4.738 555 HB3 GLN 75 2HB GLN 75 3.421 -6.611 6.315 556 HG2 GLN 75 1HG GLN 75 2.086 -4.641 6.009 557 HG3 GLN 75 2HG GLN 75 1.709 -5.107 4.352 558 HE21 GLN 75 2HE2 GLN 75 -0.791 -7.395 5.209 559 HE22 GLN 75 1HE2 GLN 75 0.301 -6.847 3.988 560 H ALA 76 H ALA 76 5.422 -7.481 3.294 561 HA ALA 76 HA ALA 76 7.210 -8.501 5.274 562 HB1 ALA 76 3HB ALA 76 6.893 -9.052 2.334 563 HB2 ALA 76 1HB ALA 76 8.096 -9.859 3.340 564 HB3 ALA 76 2HB ALA 76 6.379 -10.051 3.692 565 H LEU 77 H LEU 77 8.024 -7.279 2.026 566 HA LEU 77 HA LEU 77 10.704 -6.840 2.451 567 HB2 LEU 77 1HB LEU 77 10.466 -5.050 0.661 568 HB3 LEU 77 2HB LEU 77 9.952 -6.684 0.249 569 HG LEU 77 HG LEU 77 7.592 -5.711 1.006 570 HD11 LEU 77 1HD1 LEU 77 8.444 -3.280 -0.379 571 HD12 LEU 77 2HD1 LEU 77 9.095 -3.450 1.251 572 HD13 LEU 77 3HD1 LEU 77 7.351 -3.487 0.990 573 HD21 LEU 77 3HD2 LEU 77 9.036 -5.693 -1.593 574 HD22 LEU 77 1HD2 LEU 77 7.461 -4.904 -1.505 575 HD23 LEU 77 2HD2 LEU 77 7.615 -6.611 -1.092 576 H SER 78 H SER 78 8.048 -4.523 2.917 577 HA SER 78 HA SER 78 9.501 -2.298 3.660 578 HB2 SER 78 1HB SER 78 7.126 -2.122 3.339 579 HB3 SER 78 2HB SER 78 6.809 -3.260 4.648 580 HG SER 78 HG SER 78 7.656 -1.722 6.098 581 H SER 79 H SER 79 8.095 -4.709 5.885 582 HA SER 79 HA SER 79 9.669 -3.691 8.084 583 HB2 SER 79 1HB SER 79 7.874 -6.127 7.968 584 HB3 SER 79 2HB SER 79 8.518 -5.375 9.427 585 HG SER 79 HG SER 79 6.342 -4.741 8.914 586 H ARG 80 H ARG 80 11.424 -4.437 6.186 587 HA ARG 80 HA ARG 80 12.706 -6.770 7.410 588 HB2 ARG 80 1HB ARG 80 11.507 -7.401 5.263 589 HB3 ARG 80 2HB ARG 80 12.653 -6.366 4.422 590 HG2 ARG 80 1HG ARG 80 14.499 -7.742 5.290 591 HG3 ARG 80 2HG ARG 80 13.317 -8.803 6.059 592 HD2 ARG 80 1HD ARG 80 13.409 -8.231 3.102 593 HD3 ARG 80 2HD ARG 80 14.176 -9.625 3.862 594 HE ARG 80 HE ARG 80 11.392 -9.290 3.288 595 HH11 ARG 80 2HH1 ARG 80 13.680 -10.832 5.411 596 HH12 ARG 80 1HH1 ARG 80 12.613 -12.131 5.831 597 HH21 ARG 80 1HH2 ARG 80 10.508 -12.223 4.931 598 HH22 ARG 80 2HH2 ARG 80 9.978 -10.995 3.832 599 H LEU 81 H LEU 81 14.736 -6.339 7.964 600 HA LEU 81 HA LEU 81 15.939 -3.836 7.404 601 HB2 LEU 81 1HB LEU 81 16.841 -6.358 8.732 602 HB3 LEU 81 2HB LEU 81 18.004 -5.080 8.384 603 HG LEU 81 HG LEU 81 16.295 -3.580 9.681 604 HD11 LEU 81 1HD1 LEU 81 14.711 -4.559 10.919 605 HD12 LEU 81 2HD1 LEU 81 15.759 -5.902 11.374 606 HD13 LEU 81 3HD1 LEU 81 14.914 -5.928 9.826 607 HD21 LEU 81 3HD2 LEU 81 18.244 -3.585 10.793 608 HD22 LEU 81 1HD2 LEU 81 18.494 -5.314 10.551 609 HD23 LEU 81 2HD2 LEU 81 17.444 -4.749 11.850 610 H GLN 82 H GLN 82 16.270 -3.495 5.245 611 HA GLN 82 HA GLN 82 17.339 -5.395 3.453 612 HB2 GLN 82 1HB GLN 82 16.044 -3.298 2.866 613 HB3 GLN 82 2HB GLN 82 17.524 -2.397 3.167 614 HG2 GLN 82 1HG GLN 82 17.387 -2.739 0.836 615 HG3 GLN 82 2HG GLN 82 18.637 -3.826 1.440 616 HE21 GLN 82 2HE2 GLN 82 17.144 -6.348 -0.405 617 HE22 GLN 82 1HE2 GLN 82 18.530 -5.360 -0.112 618 H THR 83 H THR 83 19.146 -6.248 4.624 619 HA THR 83 HA THR 83 21.297 -5.067 5.715 620 HB THR 83 HB THR 83 21.483 -7.343 3.732 621 HG1 THR 83 1HG THR 83 20.676 -8.551 5.277 622 HG21 THR 83 3HG2 THR 83 23.427 -6.041 5.499 623 HG22 THR 83 1HG2 THR 83 23.688 -7.073 4.094 624 HG23 THR 83 2HG2 THR 83 23.354 -7.794 5.669 625 H GLU 84 H GLU 84 22.666 -3.520 5.143 626 HA GLU 84 HA GLU 84 22.723 -2.311 2.629 627 HB2 GLU 84 1HB GLU 84 24.593 -1.037 3.426 628 HB3 GLU 84 2HB GLU 84 23.484 -1.272 4.770 629 HG2 GLU 84 1HG GLU 84 25.936 -2.948 4.296 630 HG3 GLU 84 2HG GLU 84 25.885 -1.537 5.351 631 H ASN 85 H ASN 85 24.557 -2.145 1.134 632 HA ASN 85 HA ASN 85 26.110 -3.022 -0.280 633 HB2 ASN 85 1HB ASN 85 27.204 -3.523 2.063 634 HB3 ASN 85 2HB ASN 85 26.808 -5.191 1.661 635 HD21 ASN 85 2HD2 ASN 85 30.102 -5.036 0.369 636 HD22 ASN 85 1HD2 ASN 85 29.184 -5.358 1.796 637 H SER 86 H SER 86 23.425 -3.875 -0.427 638 HA SER 86 HA SER 86 23.423 -6.734 -0.868 639 HB2 SER 86 1HB SER 86 21.369 -4.557 -1.028 640 HB3 SER 86 2HB SER 86 21.056 -6.102 -1.818 641 HG SER 86 HG SER 86 20.328 -5.906 0.422 642 H GLY 87 H GLY 87 22.862 -3.857 -2.906 643 HA2 GLY 87 1HA GLY 87 24.472 -4.363 -5.007 644 HA3 GLY 87 2HA GLY 87 23.118 -5.439 -5.317 645 HA PRO 88 HA PRO 88 22.356 -1.007 -6.861 646 HB2 PRO 88 2HB PRO 88 23.985 -0.970 -8.481 647 HB3 PRO 88 1HB PRO 88 22.646 -1.474 -9.519 648 HG2 PRO 88 1HG PRO 88 23.267 -3.710 -9.451 649 HG3 PRO 88 2HG PRO 88 24.862 -2.943 -9.345 650 HD2 PRO 88 1HD PRO 88 23.974 -4.717 -7.503 651 HD3 PRO 88 2HD PRO 88 25.060 -3.375 -7.090 652 H SER 89 H SER 89 21.282 -4.210 -7.507 653 HA SER 89 HA SER 89 19.163 -3.861 -9.240 654 HB2 SER 89 1HB SER 89 20.079 -6.012 -8.082 655 HB3 SER 89 2HB SER 89 18.874 -5.653 -6.845 656 HG SER 89 HG SER 89 17.618 -6.717 -8.167 657 H SER 90 H SER 90 17.474 -2.554 -9.167 658 HA SER 90 HA SER 90 16.712 -1.159 -6.804 659 HB2 SER 90 1HB SER 90 14.824 -0.317 -8.246 660 HB3 SER 90 2HB SER 90 16.433 -0.053 -8.919 661 HG SER 90 HG SER 90 14.525 -2.011 -9.654 662 H GLY 91 H GLY 91 15.296 -3.832 -8.650 663 HA2 GLY 91 1HA GLY 91 13.683 -5.369 -8.101 664 HA3 GLY 91 2HA GLY 91 14.144 -5.079 -6.430 Start of MODEL 9 1 H1 GLY 1 H GLY 1 11.276 14.931 0.263 2 HA2 GLY 1 1HA GLY 1 13.074 14.204 -1.884 3 HA3 GLY 1 2HA GLY 1 13.499 15.058 -0.408 4 H SER 2 H SER 2 14.787 12.770 -1.789 5 HA SER 2 HA SER 2 15.265 11.181 0.565 6 HB2 SER 2 1HB SER 2 13.210 10.194 -0.691 7 HB3 SER 2 2HB SER 2 14.403 9.629 -1.860 8 HG SER 2 HG SER 2 15.143 8.223 -0.449 9 H SER 3 H SER 3 17.368 10.773 0.634 10 HA SER 3 HA SER 3 18.831 10.389 -1.886 11 HB2 SER 3 1HB SER 3 19.272 12.678 -1.244 12 HB3 SER 3 2HB SER 3 19.650 12.187 0.407 13 HG SER 3 HG SER 3 21.441 12.558 -1.217 14 H GLY 4 H GLY 4 20.968 9.356 -1.567 15 HA2 GLY 4 1HA GLY 4 21.960 7.357 -0.915 16 HA3 GLY 4 2HA GLY 4 22.097 8.249 0.593 17 H SER 5 H SER 5 21.762 6.696 2.083 18 HA SER 5 HA SER 5 20.679 5.158 3.363 19 HB2 SER 5 1HB SER 5 18.272 6.348 1.968 20 HB3 SER 5 2HB SER 5 18.173 5.224 3.323 21 HG SER 5 HG SER 5 19.306 7.822 3.299 22 H SER 6 H SER 6 21.872 4.092 1.175 23 HA SER 6 HA SER 6 20.493 2.672 -0.689 24 HB2 SER 6 1HB SER 6 22.856 1.680 0.925 25 HB3 SER 6 2HB SER 6 22.309 0.990 -0.603 26 HG SER 6 HG SER 6 24.028 2.883 -0.349 27 H GLY 7 H GLY 7 18.867 1.279 -0.615 28 HA2 GLY 7 1HA GLY 7 18.589 -1.089 0.559 29 HA3 GLY 7 2HA GLY 7 18.209 -0.027 1.907 30 H MET 8 H MET 8 16.165 0.623 2.139 31 HA MET 8 HA MET 8 14.407 1.212 0.018 32 HB2 MET 8 1HB MET 8 14.065 -1.002 -0.525 33 HB3 MET 8 2HB MET 8 14.328 -1.559 1.122 34 HG2 MET 8 1HG MET 8 12.022 -1.866 0.490 35 HG3 MET 8 2HG MET 8 12.149 -0.664 1.771 36 HE1 MET 8 3HE MET 8 9.809 -1.269 0.398 37 HE2 MET 8 1HE MET 8 9.139 0.357 0.267 38 HE3 MET 8 2HE MET 8 9.443 -0.590 -1.189 39 H GLU 9 H GLU 9 12.649 2.322 0.744 40 HA GLU 9 HA GLU 9 12.551 2.856 3.597 41 HB2 GLU 9 1HB GLU 9 12.490 4.745 2.055 42 HB3 GLU 9 2HB GLU 9 11.049 4.096 1.285 43 HG2 GLU 9 1HG GLU 9 10.103 5.642 2.655 44 HG3 GLU 9 2HG GLU 9 10.078 4.238 3.721 45 HA PRO 10 HA PRO 10 9.160 0.155 4.398 46 HB2 PRO 10 2HB PRO 10 9.777 0.295 6.607 47 HB3 PRO 10 1HB PRO 10 8.308 1.271 6.722 48 HG2 PRO 10 1HG PRO 10 9.481 3.274 6.637 49 HG3 PRO 10 2HG PRO 10 10.663 2.258 7.483 50 HD2 PRO 10 1HD PRO 10 11.253 3.587 5.198 51 HD3 PRO 10 2HD PRO 10 11.989 2.025 5.612 52 H VAL 11 H VAL 11 7.119 0.105 3.688 53 HA VAL 11 HA VAL 11 5.840 2.398 2.647 54 HB VAL 11 HB VAL 11 4.676 -0.322 3.260 55 HG11 VAL 11 1HG1 VAL 11 3.383 2.078 2.513 56 HG12 VAL 11 2HG1 VAL 11 3.379 1.015 1.104 57 HG13 VAL 11 3HG1 VAL 11 2.696 0.458 2.632 58 HG21 VAL 11 3HG2 VAL 11 4.905 -0.297 0.608 59 HG22 VAL 11 1HG2 VAL 11 6.237 0.791 0.999 60 HG23 VAL 11 2HG2 VAL 11 6.210 -0.843 1.661 61 H GLU 12 H GLU 12 5.612 0.723 5.713 62 HA GLU 12 HA GLU 12 3.209 1.725 6.676 63 HB2 GLU 12 1HB GLU 12 3.855 0.938 8.736 64 HB3 GLU 12 2HB GLU 12 4.956 0.041 7.701 65 HG2 GLU 12 1HG GLU 12 6.716 1.665 8.149 66 HG3 GLU 12 2HG GLU 12 5.613 2.581 9.175 67 H THR 13 H THR 13 6.054 3.399 5.918 68 HA THR 13 HA THR 13 5.262 5.697 7.579 69 HB THR 13 HB THR 13 7.533 6.573 7.213 70 HG1 THR 13 1HG THR 13 9.029 5.391 6.075 71 HG21 THR 13 3HG2 THR 13 6.838 4.232 8.712 72 HG22 THR 13 1HG2 THR 13 7.987 5.507 9.116 73 HG23 THR 13 2HG2 THR 13 8.513 4.111 8.176 74 H TRP 14 H TRP 14 5.678 4.557 4.339 75 HA TRP 14 HA TRP 14 6.067 6.705 2.769 76 HB2 TRP 14 1HB TRP 14 4.101 4.449 2.483 77 HB3 TRP 14 2HB TRP 14 4.222 5.699 1.248 78 HD1 TRP 14 HD TRP 14 7.552 4.988 2.727 79 HE1 TRP 14 1HE TRP 14 8.939 3.516 1.135 80 HE3 TRP 14 3HE TRP 14 3.854 3.591 -0.516 81 HZ2 TRP 14 2HZ TRP 14 8.521 1.968 -1.188 82 HZ3 TRP 14 3HZ TRP 14 4.432 2.114 -2.397 83 HH2 TRP 14 HH TRP 14 6.717 1.320 -2.724 84 H THR 15 H THR 15 4.914 8.442 1.955 85 HA THR 15 HA THR 15 2.967 9.575 3.718 86 HB THR 15 HB THR 15 2.873 11.420 2.003 87 HG1 THR 15 1HG THR 15 3.640 10.939 0.098 88 HG21 THR 15 3HG2 THR 15 4.480 11.319 3.950 89 HG22 THR 15 1HG2 THR 15 4.990 12.327 2.596 90 HG23 THR 15 2HG2 THR 15 5.691 10.723 2.815 91 HA PRO 16 HA PRO 16 -0.792 8.286 1.849 92 HB2 PRO 16 2HB PRO 16 -1.875 9.379 3.555 93 HB3 PRO 16 1HB PRO 16 -2.354 10.470 2.249 94 HG2 PRO 16 1HG PRO 16 -0.712 12.025 2.774 95 HG3 PRO 16 2HG PRO 16 -1.069 11.393 4.392 96 HD2 PRO 16 1HD PRO 16 1.428 11.390 3.345 97 HD3 PRO 16 2HD PRO 16 0.860 10.133 4.463 98 H GLY 17 H GLY 17 1.205 10.461 0.419 99 HA2 GLY 17 1HA GLY 17 -0.683 11.105 -1.750 100 HA3 GLY 17 2HA GLY 17 0.821 11.956 -1.432 101 H LYS 18 H LYS 18 1.831 8.993 -0.978 102 HA LYS 18 HA LYS 18 2.719 8.699 -3.745 103 HB2 LYS 18 1HB LYS 18 3.651 7.292 -1.236 104 HB3 LYS 18 2HB LYS 18 4.382 7.138 -2.828 105 HG2 LYS 18 1HG LYS 18 5.212 9.325 -2.785 106 HG3 LYS 18 2HG LYS 18 4.152 9.792 -1.452 107 HD2 LYS 18 1HD LYS 18 5.450 8.719 0.129 108 HD3 LYS 18 2HD LYS 18 6.155 7.612 -1.050 109 HE2 LYS 18 1HE LYS 18 6.701 10.564 -1.117 110 HE3 LYS 18 2HE LYS 18 7.650 9.466 -0.117 111 HZ1 LYS 18 3HZ LYS 18 8.591 9.937 -2.364 112 HZ2 LYS 18 1HZ LYS 18 7.284 9.098 -3.036 113 HZ3 LYS 18 2HZ LYS 18 8.375 8.294 -2.024 114 H VAL 19 H VAL 19 1.149 6.826 -1.179 115 HA VAL 19 HA VAL 19 0.903 4.354 -2.247 116 HB VAL 19 HB VAL 19 -1.325 5.901 -0.916 117 HG11 VAL 19 1HG1 VAL 19 -1.901 3.758 -2.219 118 HG12 VAL 19 2HG1 VAL 19 -1.042 2.917 -0.927 119 HG13 VAL 19 3HG1 VAL 19 -2.458 3.899 -0.552 120 HG21 VAL 19 3HG2 VAL 19 -0.335 5.526 1.058 121 HG22 VAL 19 1HG2 VAL 19 0.112 3.877 0.621 122 HG23 VAL 19 2HG2 VAL 19 1.126 5.228 0.115 123 H ALA 20 H ALA 20 -0.827 7.235 -3.274 124 HA ALA 20 HA ALA 20 -2.763 6.077 -4.908 125 HB1 ALA 20 3HB ALA 20 -1.673 8.703 -4.477 126 HB2 ALA 20 1HB ALA 20 -1.981 8.434 -6.193 127 HB3 ALA 20 2HB ALA 20 -3.284 8.233 -5.020 128 H THR 21 H THR 21 0.588 6.965 -5.629 129 HA THR 21 HA THR 21 0.495 6.358 -8.387 130 HB THR 21 HB THR 21 2.910 6.289 -6.569 131 HG1 THR 21 1HG THR 21 2.906 8.508 -7.920 132 HG21 THR 21 3HG2 THR 21 3.976 7.034 -8.821 133 HG22 THR 21 1HG2 THR 21 2.537 6.314 -9.541 134 HG23 THR 21 2HG2 THR 21 3.620 5.327 -8.559 135 H TRP 22 H TRP 22 1.750 4.488 -5.624 136 HA TRP 22 HA TRP 22 2.467 2.199 -7.059 137 HB2 TRP 22 1HB TRP 22 3.175 2.636 -4.738 138 HB3 TRP 22 2HB TRP 22 1.520 2.381 -4.190 139 HD1 TRP 22 HD TRP 22 4.522 0.446 -5.614 140 HE1 TRP 22 1HE TRP 22 4.229 -2.045 -5.037 141 HE3 TRP 22 3HE TRP 22 -0.178 0.625 -3.610 142 HZ2 TRP 22 2HZ TRP 22 2.265 -3.714 -3.885 143 HZ3 TRP 22 3HZ TRP 22 -1.192 -1.463 -2.794 144 HH2 TRP 22 HH TRP 22 0.005 -3.586 -2.930 145 H LEU 23 H LEU 23 -0.623 3.260 -5.814 146 HA LEU 23 HA LEU 23 -1.943 0.744 -6.188 147 HB2 LEU 23 1HB LEU 23 -2.845 3.537 -5.597 148 HB3 LEU 23 2HB LEU 23 -4.017 2.288 -6.011 149 HG LEU 23 HG LEU 23 -2.119 2.207 -3.666 150 HD11 LEU 23 1HD1 LEU 23 -4.382 2.314 -2.439 151 HD12 LEU 23 2HD1 LEU 23 -4.998 2.978 -3.952 152 HD13 LEU 23 3HD1 LEU 23 -3.701 3.805 -3.090 153 HD21 LEU 23 3HD2 LEU 23 -4.254 0.394 -3.388 154 HD22 LEU 23 1HD2 LEU 23 -2.541 0.031 -3.596 155 HD23 LEU 23 2HD2 LEU 23 -3.593 0.153 -5.006 156 H ARG 24 H ARG 24 -1.504 3.670 -8.081 157 HA ARG 24 HA ARG 24 -3.406 3.072 -10.092 158 HB2 ARG 24 1HB ARG 24 -2.122 5.294 -9.533 159 HB3 ARG 24 2HB ARG 24 -0.939 4.664 -10.672 160 HG2 ARG 24 1HG ARG 24 -3.822 4.811 -11.436 161 HG3 ARG 24 2HG ARG 24 -2.804 6.251 -11.505 162 HD2 ARG 24 1HD ARG 24 -1.180 4.657 -12.808 163 HD3 ARG 24 2HD ARG 24 -2.654 3.734 -13.099 164 HE ARG 24 HE ARG 24 -3.315 5.342 -14.581 165 HH11 ARG 24 2HH1 ARG 24 -0.803 6.643 -12.552 166 HH12 ARG 24 1HH1 ARG 24 -0.662 8.118 -13.450 167 HH21 ARG 24 1HH2 ARG 24 -1.993 8.480 -15.279 168 HH22 ARG 24 2HH2 ARG 24 -3.140 7.280 -15.770 169 H GLY 25 H GLY 25 -0.109 2.087 -9.540 170 HA2 GLY 25 1HA GLY 25 0.275 1.072 -12.218 171 HA3 GLY 25 2HA GLY 25 1.371 0.877 -10.858 172 H LEU 26 H LEU 26 -0.798 -0.192 -9.147 173 HA LEU 26 HA LEU 26 -0.369 -2.858 -9.282 174 HB2 LEU 26 1HB LEU 26 -2.647 -1.223 -8.319 175 HB3 LEU 26 2HB LEU 26 -2.898 -2.963 -8.449 176 HG LEU 26 HG LEU 26 -0.571 -1.843 -6.922 177 HD11 LEU 26 1HD1 LEU 26 -1.865 -1.060 -5.305 178 HD12 LEU 26 2HD1 LEU 26 -2.683 -2.617 -5.177 179 HD13 LEU 26 3HD1 LEU 26 -3.288 -1.392 -6.292 180 HD21 LEU 26 3HD2 LEU 26 -2.134 -4.418 -6.761 181 HD22 LEU 26 1HD2 LEU 26 -0.781 -3.974 -5.721 182 HD23 LEU 26 2HD2 LEU 26 -0.523 -4.212 -7.449 183 H ASP 27 H ASP 27 -3.191 -1.269 -10.778 184 HA ASP 27 HA ASP 27 -3.035 -2.969 -13.086 185 HB2 ASP 27 1HB ASP 27 -4.232 -4.294 -11.190 186 HB3 ASP 27 2HB ASP 27 -5.591 -3.226 -11.532 187 H ASP 28 H ASP 28 -5.027 -2.570 -14.531 188 HA ASP 28 HA ASP 28 -5.399 0.305 -14.657 189 HB2 ASP 28 1HB ASP 28 -6.311 -0.093 -16.871 190 HB3 ASP 28 2HB ASP 28 -4.808 -0.993 -16.686 191 H SER 29 H SER 29 -7.182 -2.515 -13.760 192 HA SER 29 HA SER 29 -9.791 -1.389 -14.042 193 HB2 SER 29 1HB SER 29 -9.539 -3.795 -14.050 194 HB3 SER 29 2HB SER 29 -8.794 -3.763 -12.452 195 HG SER 29 HG SER 29 -11.328 -4.039 -12.981 196 H LEU 30 H LEU 30 -7.291 -0.915 -11.826 197 HA LEU 30 HA LEU 30 -9.150 0.037 -9.754 198 HB2 LEU 30 1HB LEU 30 -6.192 -0.475 -9.507 199 HB3 LEU 30 2HB LEU 30 -7.313 -0.093 -8.201 200 HG LEU 30 HG LEU 30 -7.459 -2.612 -9.851 201 HD11 LEU 30 1HD1 LEU 30 -5.394 -2.760 -8.727 202 HD12 LEU 30 2HD1 LEU 30 -6.541 -3.664 -7.739 203 HD13 LEU 30 3HD1 LEU 30 -6.052 -2.039 -7.258 204 HD21 LEU 30 3HD2 LEU 30 -8.857 -1.606 -7.393 205 HD22 LEU 30 1HD2 LEU 30 -8.754 -3.327 -7.765 206 HD23 LEU 30 2HD2 LEU 30 -9.556 -2.229 -8.888 207 H GLN 31 H GLN 31 -6.466 0.956 -11.819 208 HA GLN 31 HA GLN 31 -5.708 3.382 -10.826 209 HB2 GLN 31 1HB GLN 31 -4.787 3.821 -12.882 210 HB3 GLN 31 2HB GLN 31 -5.051 2.089 -13.029 211 HG2 GLN 31 1HG GLN 31 -7.046 2.440 -14.307 212 HG3 GLN 31 2HG GLN 31 -6.962 4.180 -14.038 213 HE21 GLN 31 2HE2 GLN 31 -3.927 2.709 -16.336 214 HE22 GLN 31 1HE2 GLN 31 -4.313 1.998 -14.809 215 H ASP 32 H ASP 32 -8.782 2.530 -12.081 216 HA ASP 32 HA ASP 32 -9.671 5.128 -12.822 217 HB2 ASP 32 1HB ASP 32 -11.115 2.565 -12.158 218 HB3 ASP 32 2HB ASP 32 -11.976 4.046 -12.568 219 H TYR 33 H TYR 33 -10.000 3.182 -9.877 220 HA TYR 33 HA TYR 33 -11.690 4.790 -8.409 221 HB2 TYR 33 1HB TYR 33 -9.373 3.060 -7.562 222 HB3 TYR 33 2HB TYR 33 -10.382 3.900 -6.390 223 HD1 TYR 33 1HD TYR 33 -10.470 1.400 -9.132 224 HD2 TYR 33 2HD TYR 33 -12.458 3.008 -5.731 225 HE1 TYR 33 1HE TYR 33 -12.087 -0.452 -9.209 226 HE2 TYR 33 2HE TYR 33 -14.079 1.160 -5.798 227 HH TYR 33 HH TYR 33 -14.973 -0.446 -7.418 228 HA PRO 34 HA PRO 34 -9.491 8.560 -7.788 229 HB2 PRO 34 2HB PRO 34 -11.536 9.487 -7.303 230 HB3 PRO 34 1HB PRO 34 -10.894 9.486 -5.657 231 HG2 PRO 34 1HG PRO 34 -12.033 7.548 -5.077 232 HG3 PRO 34 2HG PRO 34 -13.187 8.254 -6.225 233 HD2 PRO 34 1HD PRO 34 -12.190 5.753 -6.512 234 HD3 PRO 34 2HD PRO 34 -12.617 6.775 -7.899 235 H PHE 35 H PHE 35 -7.532 7.390 -7.126 236 HA PHE 35 HA PHE 35 -7.096 6.692 -4.401 237 HB2 PHE 35 1HB PHE 35 -5.147 7.186 -6.660 238 HB3 PHE 35 2HB PHE 35 -4.701 6.536 -5.085 239 HD1 PHE 35 2HD PHE 35 -6.989 4.710 -4.604 240 HD2 PHE 35 1HD PHE 35 -4.683 5.426 -8.109 241 HE1 PHE 35 2HE PHE 35 -7.497 2.438 -5.398 242 HE2 PHE 35 1HE PHE 35 -5.188 3.155 -8.909 243 HZ PHE 35 HZ PHE 35 -6.596 1.657 -7.553 244 H GLU 36 H GLU 36 -6.666 9.595 -6.288 245 HA GLU 36 HA GLU 36 -4.982 10.950 -4.433 246 HB2 GLU 36 1HB GLU 36 -6.698 11.885 -6.726 247 HB3 GLU 36 2HB GLU 36 -5.783 13.006 -5.727 248 HG2 GLU 36 1HG GLU 36 -3.747 11.576 -6.307 249 HG3 GLU 36 2HG GLU 36 -4.761 10.877 -7.569 250 H ASP 37 H ASP 37 -8.207 10.078 -4.303 251 HA ASP 37 HA ASP 37 -8.965 12.345 -2.608 252 HB2 ASP 37 1HB ASP 37 -10.685 10.081 -3.640 253 HB3 ASP 37 2HB ASP 37 -11.249 11.526 -2.805 254 H TRP 38 H TRP 38 -8.090 9.015 -2.483 255 HA TRP 38 HA TRP 38 -9.298 8.261 -0.065 256 HB2 TRP 38 1HB TRP 38 -6.781 7.312 -1.436 257 HB3 TRP 38 2HB TRP 38 -7.401 6.574 0.039 258 HD1 TRP 38 HD TRP 38 -9.920 7.683 -2.578 259 HE1 TRP 38 1HE TRP 38 -10.983 5.601 -3.655 260 HE3 TRP 38 3HE TRP 38 -6.886 4.092 -0.569 261 HZ2 TRP 38 2HZ TRP 38 -10.587 2.806 -3.653 262 HZ3 TRP 38 3HZ TRP 38 -7.295 1.738 -1.157 263 HH2 TRP 38 HH TRP 38 -9.109 1.110 -2.667 264 H GLN 39 H GLN 39 -6.103 9.666 -0.722 265 HA GLN 39 HA GLN 39 -4.554 10.639 0.634 266 HB2 GLN 39 1HB GLN 39 -7.087 11.403 2.089 267 HB3 GLN 39 2HB GLN 39 -5.503 12.057 2.483 268 HG2 GLN 39 1HG GLN 39 -5.321 13.100 0.347 269 HG3 GLN 39 2HG GLN 39 -6.774 12.286 -0.231 270 HE21 GLN 39 2HE2 GLN 39 -7.569 15.788 0.718 271 HE22 GLN 39 1HE2 GLN 39 -6.431 15.040 -0.344 272 H LEU 40 H LEU 40 -4.986 7.887 1.097 273 HA LEU 40 HA LEU 40 -4.941 7.545 3.991 274 HB2 LEU 40 1HB LEU 40 -6.230 5.940 2.773 275 HB3 LEU 40 2HB LEU 40 -4.876 5.592 1.700 276 HG LEU 40 HG LEU 40 -3.733 4.840 3.962 277 HD11 LEU 40 1HD1 LEU 40 -6.508 5.235 4.686 278 HD12 LEU 40 2HD1 LEU 40 -5.107 4.918 5.708 279 HD13 LEU 40 3HD1 LEU 40 -5.980 3.576 4.969 280 HD21 LEU 40 3HD2 LEU 40 -5.757 2.933 2.900 281 HD22 LEU 40 1HD2 LEU 40 -4.049 2.684 3.263 282 HD23 LEU 40 2HD2 LEU 40 -4.523 3.556 1.805 283 HA PRO 41 HA PRO 41 -0.499 7.828 3.987 284 HB2 PRO 41 2HB PRO 41 -0.720 8.854 6.031 285 HB3 PRO 41 1HB PRO 41 -0.181 7.279 6.627 286 HG2 PRO 41 1HG PRO 41 -2.338 6.592 7.139 287 HG3 PRO 41 2HG PRO 41 -2.486 8.331 7.451 288 HD2 PRO 41 1HD PRO 41 -4.116 7.017 5.735 289 HD3 PRO 41 2HD PRO 41 -3.647 8.712 5.497 290 H GLY 42 H GLY 42 1.231 6.407 4.008 291 HA2 GLY 42 1HA GLY 42 0.847 3.765 3.350 292 HA3 GLY 42 2HA GLY 42 2.345 4.394 4.019 293 H LYS 43 H LYS 43 1.424 5.106 6.576 294 HA LYS 43 HA LYS 43 1.859 2.877 8.072 295 HB2 LYS 43 1HB LYS 43 0.762 4.027 9.942 296 HB3 LYS 43 2HB LYS 43 1.788 5.124 9.025 297 HG2 LYS 43 1HG LYS 43 -0.486 5.617 7.768 298 HG3 LYS 43 2HG LYS 43 -1.164 5.064 9.300 299 HD2 LYS 43 1HD LYS 43 1.036 7.087 9.294 300 HD3 LYS 43 2HD LYS 43 -0.620 7.592 8.948 301 HE2 LYS 43 1HE LYS 43 -1.365 6.673 11.069 302 HE3 LYS 43 2HE LYS 43 0.260 6.078 11.405 303 HZ1 LYS 43 3HZ LYS 43 0.625 8.728 10.908 304 HZ2 LYS 43 1HZ LYS 43 0.564 8.008 12.438 305 HZ3 LYS 43 2HZ LYS 43 -0.829 8.699 11.772 306 H ASN 44 H ASN 44 -1.310 4.081 7.012 307 HA ASN 44 HA ASN 44 -2.700 1.841 8.174 308 HB2 ASN 44 1HB ASN 44 -3.462 4.286 6.655 309 HB3 ASN 44 2HB ASN 44 -4.578 2.924 6.613 310 HD21 ASN 44 2HD2 ASN 44 -5.997 3.900 9.589 311 HD22 ASN 44 1HD2 ASN 44 -6.162 3.299 7.977 312 H LEU 45 H LEU 45 -1.448 2.739 5.037 313 HA LEU 45 HA LEU 45 -2.789 1.128 3.296 314 HB2 LEU 45 1HB LEU 45 -0.939 2.654 2.709 315 HB3 LEU 45 2HB LEU 45 0.203 1.489 3.374 316 HG LEU 45 HG LEU 45 -0.615 -0.141 1.636 317 HD11 LEU 45 1HD1 LEU 45 -2.706 0.723 0.998 318 HD12 LEU 45 2HD1 LEU 45 -1.646 1.002 -0.383 319 HD13 LEU 45 3HD1 LEU 45 -2.044 2.332 0.704 320 HD21 LEU 45 3HD2 LEU 45 1.367 0.544 0.865 321 HD22 LEU 45 1HD2 LEU 45 1.050 2.228 1.283 322 HD23 LEU 45 2HD2 LEU 45 0.440 1.567 -0.234 323 H LEU 46 H LEU 46 -0.158 0.153 5.462 324 HA LEU 46 HA LEU 46 -0.322 -2.604 4.609 325 HB2 LEU 46 1HB LEU 46 1.235 -1.318 6.848 326 HB3 LEU 46 2HB LEU 46 1.399 -2.993 6.323 327 HG LEU 46 HG LEU 46 1.995 -0.618 4.564 328 HD11 LEU 46 1HD1 LEU 46 4.403 -1.671 5.058 329 HD12 LEU 46 2HD1 LEU 46 3.623 -2.003 6.604 330 HD13 LEU 46 3HD1 LEU 46 3.718 -0.348 6.003 331 HD21 LEU 46 3HD2 LEU 46 2.681 -3.544 4.308 332 HD22 LEU 46 1HD2 LEU 46 3.144 -2.265 3.186 333 HD23 LEU 46 2HD2 LEU 46 1.444 -2.690 3.385 334 H GLN 47 H GLN 47 -1.812 -0.611 6.946 335 HA GLN 47 HA GLN 47 -2.634 -2.912 8.567 336 HB2 GLN 47 1HB GLN 47 -2.940 0.056 9.054 337 HB3 GLN 47 2HB GLN 47 -3.511 -1.203 10.142 338 HG2 GLN 47 1HG GLN 47 -0.997 -1.977 10.013 339 HG3 GLN 47 2HG GLN 47 -0.745 -0.286 9.583 340 HE21 GLN 47 2HE2 GLN 47 -0.992 0.855 12.824 341 HE22 GLN 47 1HE2 GLN 47 -0.566 1.132 11.173 342 H LEU 48 H LEU 48 -3.629 -1.773 5.815 343 HA LEU 48 HA LEU 48 -6.327 -1.029 6.187 344 HB2 LEU 48 1HB LEU 48 -4.656 -1.937 3.910 345 HB3 LEU 48 2HB LEU 48 -6.406 -2.032 3.724 346 HG LEU 48 HG LEU 48 -4.926 0.497 4.435 347 HD11 LEU 48 1HD1 LEU 48 -5.761 -0.614 1.771 348 HD12 LEU 48 2HD1 LEU 48 -4.168 -0.049 2.274 349 HD13 LEU 48 3HD1 LEU 48 -5.480 1.106 2.040 350 HD21 LEU 48 3HD2 LEU 48 -6.936 1.601 4.213 351 HD22 LEU 48 1HD2 LEU 48 -7.449 0.086 4.955 352 HD23 LEU 48 2HD2 LEU 48 -7.649 0.329 3.220 353 H CYS 49 H CYS 49 -8.132 -2.401 5.125 354 HA CYS 49 HA CYS 49 -7.888 -5.252 5.446 355 HB2 CYS 49 1HB CYS 49 -9.976 -5.088 7.087 356 HB3 CYS 49 2HB CYS 49 -8.323 -5.087 7.688 357 HG CYS 49 HG CYS 49 -8.457 -2.829 8.894 358 HA PRO 50 HA PRO 50 -11.171 -5.319 2.541 359 HB2 PRO 50 2HB PRO 50 -10.957 -7.607 2.492 360 HB3 PRO 50 1HB PRO 50 -12.549 -7.546 3.260 361 HG2 PRO 50 1HG PRO 50 -11.676 -7.866 5.387 362 HG3 PRO 50 2HG PRO 50 -10.518 -8.812 4.432 363 HD2 PRO 50 1HD PRO 50 -9.751 -6.809 6.085 364 HD3 PRO 50 2HD PRO 50 -8.880 -7.198 4.588 365 H GLN 51 H GLN 51 -11.861 -5.036 5.886 366 HA GLN 51 HA GLN 51 -14.718 -4.681 5.513 367 HB2 GLN 51 1HB GLN 51 -13.673 -5.769 7.553 368 HB3 GLN 51 2HB GLN 51 -13.122 -4.165 8.020 369 HG2 GLN 51 1HG GLN 51 -16.006 -4.857 7.534 370 HG3 GLN 51 2HG GLN 51 -15.231 -4.933 9.115 371 HE21 GLN 51 2HE2 GLN 51 -14.753 -1.342 9.229 372 HE22 GLN 51 1HE2 GLN 51 -13.838 -2.791 9.444 373 H SER 52 H SER 52 -11.840 -2.747 5.913 374 HA SER 52 HA SER 52 -13.329 -0.293 6.300 375 HB2 SER 52 1HB SER 52 -10.948 -0.943 7.223 376 HB3 SER 52 2HB SER 52 -10.404 -0.335 5.659 377 HG SER 52 HG SER 52 -12.202 1.231 7.109 378 H LEU 53 H LEU 53 -11.278 -1.729 3.783 379 HA LEU 53 HA LEU 53 -11.149 0.211 1.906 380 HB2 LEU 53 1HB LEU 53 -11.505 -2.737 1.712 381 HB3 LEU 53 2HB LEU 53 -11.612 -1.780 0.236 382 HG LEU 53 HG LEU 53 -9.235 -1.503 2.032 383 HD11 LEU 53 1HD1 LEU 53 -9.848 -3.967 1.342 384 HD12 LEU 53 2HD1 LEU 53 -8.187 -3.379 1.257 385 HD13 LEU 53 3HD1 LEU 53 -9.169 -3.461 -0.206 386 HD21 LEU 53 3HD2 LEU 53 -8.943 0.038 0.409 387 HD22 LEU 53 1HD2 LEU 53 -10.015 -0.790 -0.721 388 HD23 LEU 53 2HD2 LEU 53 -8.357 -1.352 -0.506 389 H GLU 54 H GLU 54 -13.975 -1.772 2.636 390 HA GLU 54 HA GLU 54 -15.638 -1.119 0.538 391 HB2 GLU 54 1HB GLU 54 -16.421 -1.431 3.442 392 HB3 GLU 54 2HB GLU 54 -17.515 -1.539 2.070 393 HG2 GLU 54 1HG GLU 54 -16.519 -3.541 1.311 394 HG3 GLU 54 2HG GLU 54 -15.153 -3.360 2.409 395 H ALA 55 H ALA 55 -15.036 0.715 3.507 396 HA ALA 55 HA ALA 55 -16.918 2.728 3.198 397 HB1 ALA 55 3HB ALA 55 -14.148 3.136 4.305 398 HB2 ALA 55 1HB ALA 55 -15.614 4.030 4.707 399 HB3 ALA 55 2HB ALA 55 -15.450 2.342 5.190 400 H LEU 56 H LEU 56 -13.799 2.314 1.649 401 HA LEU 56 HA LEU 56 -13.903 4.939 0.417 402 HB2 LEU 56 1HB LEU 56 -11.965 2.718 -0.178 403 HB3 LEU 56 2HB LEU 56 -11.764 4.441 -0.488 404 HG LEU 56 HG LEU 56 -11.826 3.148 2.239 405 HD11 LEU 56 1HD1 LEU 56 -9.370 4.429 1.659 406 HD12 LEU 56 2HD1 LEU 56 -9.742 3.346 0.318 407 HD13 LEU 56 3HD1 LEU 56 -9.672 2.719 1.965 408 HD21 LEU 56 3HD2 LEU 56 -12.455 5.243 2.798 409 HD22 LEU 56 1HD2 LEU 56 -11.858 5.943 1.294 410 HD23 LEU 56 2HD2 LEU 56 -10.734 5.577 2.603 411 H ALA 57 H ALA 57 -15.987 2.925 -0.157 412 HA ALA 57 HA ALA 57 -17.246 2.272 -1.938 413 HB1 ALA 57 3HB ALA 57 -15.345 4.015 -3.501 414 HB2 ALA 57 1HB ALA 57 -16.865 3.357 -4.105 415 HB3 ALA 57 2HB ALA 57 -16.872 4.520 -2.779 416 H VAL 58 H VAL 58 -15.107 0.615 -1.052 417 HA VAL 58 HA VAL 58 -14.485 -0.793 -3.564 418 HB VAL 58 HB VAL 58 -12.698 -0.605 -1.135 419 HG11 VAL 58 1HG1 VAL 58 -11.728 -2.466 -1.855 420 HG12 VAL 58 2HG1 VAL 58 -12.860 -2.561 -3.205 421 HG13 VAL 58 3HG1 VAL 58 -11.351 -1.664 -3.379 422 HG21 VAL 58 3HG2 VAL 58 -11.236 0.332 -3.210 423 HG22 VAL 58 1HG2 VAL 58 -12.846 0.894 -3.662 424 HG23 VAL 58 2HG2 VAL 58 -12.155 1.355 -2.106 425 H ARG 59 H ARG 59 -16.415 -2.023 -3.184 426 HA ARG 59 HA ARG 59 -16.323 -3.839 -0.882 427 HB2 ARG 59 1HB ARG 59 -18.551 -3.309 -2.857 428 HB3 ARG 59 2HB ARG 59 -18.654 -4.380 -1.465 429 HG2 ARG 59 1HG ARG 59 -18.653 -2.626 0.048 430 HG3 ARG 59 2HG ARG 59 -17.940 -1.500 -1.108 431 HD2 ARG 59 1HD ARG 59 -20.169 -0.831 -0.985 432 HD3 ARG 59 2HD ARG 59 -20.106 -1.815 -2.447 433 HE ARG 59 HE ARG 59 -20.803 -3.430 -0.247 434 HH11 ARG 59 2HH1 ARG 59 -22.101 -0.921 -2.282 435 HH12 ARG 59 1HH1 ARG 59 -23.745 -1.427 -2.079 436 HH21 ARG 59 1HH2 ARG 59 -24.235 -3.239 -0.765 437 HH22 ARG 59 2HH2 ARG 59 -22.964 -4.107 0.027 438 H SER 60 H SER 60 -16.578 -3.834 -4.414 439 HA SER 60 HA SER 60 -16.898 -6.462 -5.010 440 HB2 SER 60 1HB SER 60 -16.384 -4.367 -6.532 441 HB3 SER 60 2HB SER 60 -14.739 -4.999 -6.477 442 HG SER 60 HG SER 60 -15.641 -6.007 -8.181 443 H LEU 61 H LEU 61 -15.925 -8.264 -4.393 444 HA LEU 61 HA LEU 61 -13.616 -8.383 -2.839 445 HB2 LEU 61 1HB LEU 61 -15.497 -10.130 -3.298 446 HB3 LEU 61 2HB LEU 61 -14.419 -10.675 -4.581 447 HG LEU 61 HG LEU 61 -14.170 -12.029 -2.569 448 HD11 LEU 61 1HD1 LEU 61 -11.962 -12.254 -2.876 449 HD12 LEU 61 2HD1 LEU 61 -11.631 -10.570 -2.471 450 HD13 LEU 61 3HD1 LEU 61 -12.171 -10.996 -4.095 451 HD21 LEU 61 3HD2 LEU 61 -12.912 -9.816 -1.058 452 HD22 LEU 61 1HD2 LEU 61 -13.804 -11.224 -0.481 453 HD23 LEU 61 2HD2 LEU 61 -14.675 -9.837 -1.137 454 H GLY 62 H GLY 62 -14.025 -9.049 -6.313 455 HA2 GLY 62 1HA GLY 62 -11.490 -9.838 -6.994 456 HA3 GLY 62 2HA GLY 62 -12.517 -8.871 -8.043 457 H HIS 63 H HIS 63 -12.626 -6.458 -6.919 458 HA HIS 63 HA HIS 63 -10.196 -5.269 -7.595 459 HB2 HIS 63 1HB HIS 63 -12.511 -4.249 -5.946 460 HB3 HIS 63 2HB HIS 63 -11.141 -3.240 -6.401 461 HD1 HIS 63 1HD HIS 63 -14.312 -3.190 -7.334 462 HD2 HIS 63 2HD HIS 63 -10.944 -4.168 -9.562 463 HE1 HIS 63 1HE HIS 63 -14.960 -2.811 -9.734 464 HE2 HIS 63 2HE HIS 63 -12.935 -3.490 -11.068 465 H GLN 64 H GLN 64 -11.486 -6.203 -4.440 466 HA GLN 64 HA GLN 64 -9.488 -5.036 -2.853 467 HB2 GLN 64 1HB GLN 64 -11.387 -7.324 -2.443 468 HB3 GLN 64 2HB GLN 64 -10.172 -6.945 -1.229 469 HG2 GLN 64 1HG GLN 64 -11.097 -4.820 -0.818 470 HG3 GLN 64 2HG GLN 64 -12.102 -4.895 -2.264 471 HE21 GLN 64 2HE2 GLN 64 -14.687 -5.695 -0.063 472 HE22 GLN 64 1HE2 GLN 64 -13.970 -4.495 -1.077 473 H GLU 65 H GLU 65 -9.773 -8.346 -4.130 474 HA GLU 65 HA GLU 65 -7.469 -9.429 -3.051 475 HB2 GLU 65 1HB GLU 65 -9.070 -9.980 -5.505 476 HB3 GLU 65 2HB GLU 65 -7.499 -10.754 -5.350 477 HG2 GLU 65 1HG GLU 65 -8.172 -11.770 -3.259 478 HG3 GLU 65 2HG GLU 65 -9.727 -10.943 -3.335 479 H LEU 66 H LEU 66 -7.858 -7.488 -5.975 480 HA LEU 66 HA LEU 66 -5.297 -7.763 -7.035 481 HB2 LEU 66 1HB LEU 66 -7.212 -5.442 -7.115 482 HB3 LEU 66 2HB LEU 66 -5.725 -5.511 -8.058 483 HG LEU 66 HG LEU 66 -7.889 -7.585 -8.309 484 HD11 LEU 66 1HD1 LEU 66 -9.086 -6.330 -9.740 485 HD12 LEU 66 2HD1 LEU 66 -7.661 -5.518 -10.388 486 HD13 LEU 66 3HD1 LEU 66 -8.361 -4.985 -8.860 487 HD21 LEU 66 3HD2 LEU 66 -5.656 -6.728 -10.147 488 HD22 LEU 66 1HD2 LEU 66 -6.826 -8.012 -10.454 489 HD23 LEU 66 2HD2 LEU 66 -5.661 -8.176 -9.140 490 H ILE 67 H ILE 67 -6.536 -5.338 -4.749 491 HA ILE 67 HA ILE 67 -3.988 -4.075 -4.424 492 HB ILE 67 HB ILE 67 -6.482 -3.869 -2.734 493 HG12 ILE 67 1HG1 ILE 67 -5.397 -2.085 -4.924 494 HG13 ILE 67 2HG1 ILE 67 -6.817 -3.118 -5.042 495 HG21 ILE 67 1HG2 ILE 67 -4.264 -1.858 -2.801 496 HG22 ILE 67 2HG2 ILE 67 -5.526 -2.085 -1.591 497 HG23 ILE 67 3HG2 ILE 67 -4.201 -3.242 -1.709 498 HD11 ILE 67 3HD1 ILE 67 -6.747 -1.096 -2.876 499 HD12 ILE 67 1HD1 ILE 67 -7.002 -0.541 -4.530 500 HD13 ILE 67 2HD1 ILE 67 -8.109 -1.711 -3.812 501 H LEU 68 H LEU 68 -6.012 -5.664 -1.956 502 HA LEU 68 HA LEU 68 -4.291 -5.989 0.065 503 HB2 LEU 68 1HB LEU 68 -6.264 -7.958 -1.045 504 HB3 LEU 68 2HB LEU 68 -5.351 -8.295 0.424 505 HG LEU 68 HG LEU 68 -7.327 -6.055 0.002 506 HD11 LEU 68 1HD1 LEU 68 -7.838 -7.791 2.222 507 HD12 LEU 68 2HD1 LEU 68 -7.680 -8.739 0.743 508 HD13 LEU 68 3HD1 LEU 68 -8.857 -7.428 0.828 509 HD21 LEU 68 3HD2 LEU 68 -5.586 -5.219 1.403 510 HD22 LEU 68 1HD2 LEU 68 -5.547 -6.712 2.342 511 HD23 LEU 68 2HD2 LEU 68 -6.948 -5.645 2.440 512 H GLY 69 H GLY 69 -4.321 -7.987 -2.859 513 HA2 GLY 69 1HA GLY 69 -2.410 -9.875 -2.127 514 HA3 GLY 69 2HA GLY 69 -2.716 -9.346 -3.775 515 H GLY 70 H GLY 70 -1.887 -6.793 -3.847 516 HA2 GLY 70 1HA GLY 70 0.913 -7.030 -4.008 517 HA3 GLY 70 2HA GLY 70 0.007 -5.529 -4.126 518 H VAL 71 H VAL 71 -1.161 -5.554 -1.552 519 HA VAL 71 HA VAL 71 0.835 -4.301 -0.046 520 HB VAL 71 HB VAL 71 -1.757 -5.505 0.937 521 HG11 VAL 71 1HG1 VAL 71 -0.836 -5.068 2.943 522 HG12 VAL 71 2HG1 VAL 71 0.383 -3.988 2.264 523 HG13 VAL 71 3HG1 VAL 71 -1.253 -3.398 2.561 524 HG21 VAL 71 3HG2 VAL 71 -2.167 -2.836 0.856 525 HG22 VAL 71 1HG2 VAL 71 -1.086 -3.039 -0.524 526 HG23 VAL 71 2HG2 VAL 71 -2.601 -3.939 -0.450 527 H GLU 72 H GLU 72 -0.409 -7.606 0.058 528 HA GLU 72 HA GLU 72 0.737 -8.540 2.378 529 HB2 GLU 72 1HB GLU 72 0.338 -9.922 -0.274 530 HB3 GLU 72 2HB GLU 72 0.880 -10.766 1.170 531 HG2 GLU 72 1HG GLU 72 -1.152 -10.415 2.277 532 HG3 GLU 72 2HG GLU 72 -1.654 -9.168 1.138 533 H GLN 73 H GLN 73 2.246 -8.098 -0.782 534 HA GLN 73 HA GLN 73 4.730 -9.292 -0.069 535 HB2 GLN 73 1HB GLN 73 3.854 -7.498 -2.318 536 HB3 GLN 73 2HB GLN 73 5.536 -7.972 -2.128 537 HG2 GLN 73 1HG GLN 73 3.410 -10.062 -2.181 538 HG3 GLN 73 2HG GLN 73 3.958 -9.325 -3.686 539 HE21 GLN 73 2HE2 GLN 73 6.436 -11.774 -1.554 540 HE22 GLN 73 1HE2 GLN 73 5.071 -11.025 -0.806 541 H LEU 74 H LEU 74 3.528 -5.967 -0.134 542 HA LEU 74 HA LEU 74 5.936 -4.663 0.446 543 HB2 LEU 74 1HB LEU 74 3.069 -3.958 1.004 544 HB3 LEU 74 2HB LEU 74 4.401 -2.884 1.426 545 HG LEU 74 HG LEU 74 3.815 -3.833 -1.376 546 HD11 LEU 74 1HD1 LEU 74 2.627 -1.703 0.231 547 HD12 LEU 74 2HD1 LEU 74 2.073 -2.437 -1.274 548 HD13 LEU 74 3HD1 LEU 74 3.283 -1.154 -1.312 549 HD21 LEU 74 3HD2 LEU 74 5.273 -1.365 -1.090 550 HD22 LEU 74 1HD2 LEU 74 5.707 -2.831 -1.969 551 HD23 LEU 74 2HD2 LEU 74 6.097 -2.683 -0.255 552 H GLN 75 H GLN 75 3.317 -5.602 2.679 553 HA GLN 75 HA GLN 75 4.275 -4.818 5.071 554 HB2 GLN 75 1HB GLN 75 2.937 -7.408 4.324 555 HB3 GLN 75 2HB GLN 75 3.321 -7.016 5.994 556 HG2 GLN 75 1HG GLN 75 2.008 -4.876 5.638 557 HG3 GLN 75 2HG GLN 75 1.431 -5.607 4.141 558 HE21 GLN 75 2HE2 GLN 75 -0.492 -8.113 5.801 559 HE22 GLN 75 1HE2 GLN 75 0.532 -7.864 4.433 560 H ALA 76 H ALA 76 5.546 -7.425 3.114 561 HA ALA 76 HA ALA 76 7.276 -8.479 5.133 562 HB1 ALA 76 3HB ALA 76 7.309 -8.835 2.139 563 HB2 ALA 76 1HB ALA 76 8.285 -9.755 3.285 564 HB3 ALA 76 2HB ALA 76 6.527 -9.891 3.316 565 H LEU 77 H LEU 77 8.185 -7.007 2.017 566 HA LEU 77 HA LEU 77 10.801 -6.463 2.528 567 HB2 LEU 77 1HB LEU 77 10.451 -4.421 1.014 568 HB3 LEU 77 2HB LEU 77 10.102 -6.022 0.366 569 HG LEU 77 HG LEU 77 7.648 -5.392 1.174 570 HD11 LEU 77 1HD1 LEU 77 8.138 -2.730 0.169 571 HD12 LEU 77 2HD1 LEU 77 8.998 -3.018 1.681 572 HD13 LEU 77 3HD1 LEU 77 7.252 -3.250 1.602 573 HD21 LEU 77 3HD2 LEU 77 8.900 -5.694 -1.214 574 HD22 LEU 77 1HD2 LEU 77 8.328 -4.030 -1.337 575 HD23 LEU 77 2HD2 LEU 77 7.183 -5.335 -1.023 576 H SER 78 H SER 78 8.051 -4.349 3.305 577 HA SER 78 HA SER 78 9.464 -2.207 4.371 578 HB2 SER 78 1HB SER 78 7.032 -2.180 3.908 579 HB3 SER 78 2HB SER 78 6.771 -3.248 5.286 580 HG SER 78 HG SER 78 8.115 -1.364 6.329 581 H SER 79 H SER 79 7.847 -4.764 6.266 582 HA SER 79 HA SER 79 9.644 -4.183 8.498 583 HB2 SER 79 1HB SER 79 7.019 -5.620 8.246 584 HB3 SER 79 2HB SER 79 8.047 -5.892 9.653 585 HG SER 79 HG SER 79 7.146 -4.144 10.385 586 H ARG 80 H ARG 80 11.549 -5.197 8.156 587 HA ARG 80 HA ARG 80 11.776 -7.780 6.977 588 HB2 ARG 80 1HB ARG 80 13.717 -6.021 8.470 589 HB3 ARG 80 2HB ARG 80 14.165 -7.606 7.853 590 HG2 ARG 80 1HG ARG 80 13.602 -6.875 5.584 591 HG3 ARG 80 2HG ARG 80 13.185 -5.279 6.213 592 HD2 ARG 80 1HD ARG 80 15.880 -6.458 6.752 593 HD3 ARG 80 2HD ARG 80 15.543 -5.690 5.201 594 HE ARG 80 HE ARG 80 14.728 -3.917 7.168 595 HH11 ARG 80 2HH1 ARG 80 17.686 -5.423 6.118 596 HH12 ARG 80 1HH1 ARG 80 18.691 -4.109 6.631 597 HH21 ARG 80 1HH2 ARG 80 17.754 -2.265 7.617 598 HH22 ARG 80 2HH2 ARG 80 16.041 -2.180 7.849 599 H LEU 81 H LEU 81 12.766 -9.654 8.058 600 HA LEU 81 HA LEU 81 11.994 -9.850 10.893 601 HB2 LEU 81 1HB LEU 81 11.316 -11.595 8.591 602 HB3 LEU 81 2HB LEU 81 11.658 -12.378 10.133 603 HG LEU 81 HG LEU 81 9.556 -10.250 9.748 604 HD11 LEU 81 1HD1 LEU 81 9.471 -12.820 8.747 605 HD12 LEU 81 2HD1 LEU 81 8.086 -11.781 9.077 606 HD13 LEU 81 3HD1 LEU 81 8.623 -12.944 10.289 607 HD21 LEU 81 3HD2 LEU 81 9.666 -10.203 11.977 608 HD22 LEU 81 1HD2 LEU 81 10.674 -11.649 12.044 609 HD23 LEU 81 2HD2 LEU 81 8.921 -11.801 11.931 610 H GLN 82 H GLN 82 13.369 -10.939 12.235 611 HA GLN 82 HA GLN 82 16.025 -11.464 11.184 612 HB2 GLN 82 1HB GLN 82 14.885 -11.287 13.965 613 HB3 GLN 82 2HB GLN 82 16.521 -11.859 13.669 614 HG2 GLN 82 1HG GLN 82 16.785 -9.605 14.163 615 HG3 GLN 82 2HG GLN 82 16.867 -9.671 12.403 616 HE21 GLN 82 2HE2 GLN 82 14.076 -7.471 14.256 617 HE22 GLN 82 1HE2 GLN 82 15.325 -8.324 15.090 618 H THR 83 H THR 83 13.607 -13.208 13.134 619 HA THR 83 HA THR 83 14.760 -15.727 12.127 620 HB THR 83 HB THR 83 14.120 -16.804 14.255 621 HG1 THR 83 1HG THR 83 13.774 -15.083 16.003 622 HG21 THR 83 3HG2 THR 83 16.003 -14.460 14.356 623 HG22 THR 83 1HG2 THR 83 16.389 -16.168 14.149 624 HG23 THR 83 2HG2 THR 83 15.819 -15.575 15.709 625 H GLU 84 H GLU 84 13.365 -16.604 10.748 626 HA GLU 84 HA GLU 84 10.681 -15.956 10.464 627 HB2 GLU 84 1HB GLU 84 12.348 -18.285 9.597 628 HB3 GLU 84 2HB GLU 84 10.607 -18.338 9.357 629 HG2 GLU 84 1HG GLU 84 10.885 -16.070 8.208 630 HG3 GLU 84 2HG GLU 84 12.605 -16.454 8.166 631 H ASN 85 H ASN 85 8.811 -17.475 10.725 632 HA ASN 85 HA ASN 85 8.345 -18.030 13.408 633 HB2 ASN 85 1HB ASN 85 6.980 -19.226 10.986 634 HB3 ASN 85 2HB ASN 85 6.349 -19.264 12.630 635 HD21 ASN 85 2HD2 ASN 85 5.025 -16.068 12.537 636 HD22 ASN 85 1HD2 ASN 85 5.319 -17.516 13.433 637 H SER 86 H SER 86 9.125 -19.555 14.690 638 HA SER 86 HA SER 86 10.583 -21.792 13.652 639 HB2 SER 86 1HB SER 86 9.773 -21.104 16.488 640 HB3 SER 86 2HB SER 86 10.889 -22.394 16.041 641 HG SER 86 HG SER 86 11.969 -20.481 14.868 642 H GLY 87 H GLY 87 10.155 -24.041 14.333 643 HA2 GLY 87 1HA GLY 87 8.143 -25.320 15.403 644 HA3 GLY 87 2HA GLY 87 7.295 -24.621 14.031 645 HA PRO 88 HA PRO 88 9.458 -28.732 12.992 646 HB2 PRO 88 2HB PRO 88 8.232 -30.087 14.385 647 HB3 PRO 88 1HB PRO 88 7.260 -30.324 12.928 648 HG2 PRO 88 1HG PRO 88 5.654 -28.787 13.597 649 HG3 PRO 88 2HG PRO 88 6.149 -29.424 15.176 650 HD2 PRO 88 1HD PRO 88 6.222 -26.783 14.582 651 HD3 PRO 88 2HD PRO 88 7.384 -27.546 15.687 652 H SER 89 H SER 89 8.669 -30.238 11.114 653 HA SER 89 HA SER 89 7.461 -28.517 9.048 654 HB2 SER 89 1HB SER 89 8.827 -29.867 7.419 655 HB3 SER 89 2HB SER 89 9.780 -28.874 8.521 656 HG SER 89 HG SER 89 9.993 -30.814 9.825 657 H SER 90 H SER 90 6.245 -29.596 7.371 658 HA SER 90 HA SER 90 5.204 -32.237 8.134 659 HB2 SER 90 1HB SER 90 3.662 -30.378 8.870 660 HB3 SER 90 2HB SER 90 3.447 -29.974 7.167 661 HG SER 90 HG SER 90 1.865 -31.378 7.407 662 H GLY 91 H GLY 91 5.067 -29.749 5.578 663 HA2 GLY 91 1HA GLY 91 5.997 -31.610 3.599 664 HA3 GLY 91 2HA GLY 91 4.281 -31.264 3.441 Start of MODEL 10 1 H1 GLY 1 H GLY 1 19.517 6.489 16.099 2 HA2 GLY 1 1HA GLY 1 17.120 5.029 15.285 3 HA3 GLY 1 2HA GLY 1 17.393 6.591 14.527 4 H SER 2 H SER 2 17.369 5.178 12.575 5 HA SER 2 HA SER 2 20.102 4.251 12.016 6 HB2 SER 2 1HB SER 2 17.555 2.858 11.152 7 HB3 SER 2 2HB SER 2 19.188 2.393 10.674 8 HG SER 2 HG SER 2 18.245 1.228 12.510 9 H SER 3 H SER 3 20.925 4.824 10.064 10 HA SER 3 HA SER 3 19.156 6.377 8.289 11 HB2 SER 3 1HB SER 3 21.053 7.767 7.709 12 HB3 SER 3 2HB SER 3 20.900 7.726 9.465 13 HG SER 3 HG SER 3 23.061 7.415 8.801 14 H GLY 4 H GLY 4 19.752 6.374 5.998 15 HA2 GLY 4 1HA GLY 4 21.566 4.925 4.640 16 HA3 GLY 4 2HA GLY 4 20.428 3.685 5.148 17 H SER 5 H SER 5 21.242 5.433 2.586 18 HA SER 5 HA SER 5 18.550 6.133 1.710 19 HB2 SER 5 1HB SER 5 20.463 7.681 1.284 20 HB3 SER 5 2HB SER 5 21.172 6.457 0.232 21 HG SER 5 HG SER 5 19.786 6.953 -1.277 22 H SER 6 H SER 6 21.180 3.924 0.887 23 HA SER 6 HA SER 6 20.496 2.795 -1.436 24 HB2 SER 6 1HB SER 6 22.209 2.032 0.418 25 HB3 SER 6 2HB SER 6 20.934 0.884 0.828 26 HG SER 6 HG SER 6 22.682 0.449 -0.929 27 H GLY 7 H GLY 7 19.179 1.402 1.577 28 HA2 GLY 7 1HA GLY 7 17.170 -0.092 0.306 29 HA3 GLY 7 2HA GLY 7 17.186 0.350 2.007 30 H MET 8 H MET 8 14.845 0.174 0.460 31 HA MET 8 HA MET 8 14.078 2.905 -0.184 32 HB2 MET 8 1HB MET 8 12.083 1.986 -1.099 33 HB3 MET 8 2HB MET 8 13.396 0.923 -1.587 34 HG2 MET 8 1HG MET 8 12.692 -0.795 -0.255 35 HG3 MET 8 2HG MET 8 11.896 0.278 0.894 36 HE1 MET 8 3HE MET 8 8.575 -0.722 0.354 37 HE2 MET 8 1HE MET 8 9.894 -0.084 1.336 38 HE3 MET 8 2HE MET 8 8.929 1.006 0.341 39 H GLU 9 H GLU 9 12.285 3.967 0.790 40 HA GLU 9 HA GLU 9 12.220 3.779 3.603 41 HB2 GLU 9 1HB GLU 9 10.747 5.340 1.540 42 HB3 GLU 9 2HB GLU 9 10.047 5.254 3.150 43 HG2 GLU 9 1HG GLU 9 11.523 7.233 2.693 44 HG3 GLU 9 2HG GLU 9 11.916 6.294 4.132 45 HA PRO 10 HA PRO 10 9.172 0.713 4.380 46 HB2 PRO 10 2HB PRO 10 9.765 0.879 6.594 47 HB3 PRO 10 1HB PRO 10 8.166 1.618 6.734 48 HG2 PRO 10 1HG PRO 10 9.021 3.776 6.712 49 HG3 PRO 10 2HG PRO 10 10.345 2.927 7.530 50 HD2 PRO 10 1HD PRO 10 10.722 4.397 5.288 51 HD3 PRO 10 2HD PRO 10 11.687 2.953 5.656 52 H VAL 11 H VAL 11 7.256 0.455 3.436 53 HA VAL 11 HA VAL 11 5.625 2.501 2.502 54 HB VAL 11 HB VAL 11 4.814 -0.335 3.159 55 HG11 VAL 11 1HG1 VAL 11 3.526 1.602 1.242 56 HG12 VAL 11 2HG1 VAL 11 2.972 -0.022 1.654 57 HG13 VAL 11 3HG1 VAL 11 2.925 1.261 2.864 58 HG21 VAL 11 3HG2 VAL 11 6.558 -0.539 1.631 59 HG22 VAL 11 1HG2 VAL 11 5.123 -0.528 0.606 60 HG23 VAL 11 2HG2 VAL 11 6.103 0.929 0.766 61 H GLU 12 H GLU 12 5.733 0.975 5.623 62 HA GLU 12 HA GLU 12 3.167 1.691 6.547 63 HB2 GLU 12 1HB GLU 12 3.838 0.891 8.590 64 HB3 GLU 12 2HB GLU 12 5.026 0.111 7.555 65 HG2 GLU 12 1HG GLU 12 6.643 1.859 8.081 66 HG3 GLU 12 2HG GLU 12 5.452 2.652 9.111 67 H THR 13 H THR 13 5.903 3.569 5.866 68 HA THR 13 HA THR 13 4.936 5.771 7.564 69 HB THR 13 HB THR 13 7.114 6.771 7.414 70 HG1 THR 13 1HG THR 13 8.221 6.385 5.660 71 HG21 THR 13 3HG2 THR 13 7.302 3.805 7.949 72 HG22 THR 13 1HG2 THR 13 6.932 5.072 9.118 73 HG23 THR 13 2HG2 THR 13 8.538 4.982 8.394 74 H TRP 14 H TRP 14 5.434 4.725 4.311 75 HA TRP 14 HA TRP 14 5.715 6.921 2.783 76 HB2 TRP 14 1HB TRP 14 3.852 4.583 2.437 77 HB3 TRP 14 2HB TRP 14 3.962 5.849 1.218 78 HD1 TRP 14 HD TRP 14 7.284 5.273 2.747 79 HE1 TRP 14 1HE TRP 14 8.756 3.851 1.187 80 HE3 TRP 14 3HE TRP 14 3.699 3.697 -0.539 81 HZ2 TRP 14 2HZ TRP 14 8.440 2.270 -1.130 82 HZ3 TRP 14 3HZ TRP 14 4.367 2.233 -2.400 83 HH2 TRP 14 HH TRP 14 6.689 1.536 -2.688 84 H THR 15 H THR 15 4.534 8.661 2.090 85 HA THR 15 HA THR 15 2.495 9.623 3.831 86 HB THR 15 HB THR 15 2.312 11.490 2.109 87 HG1 THR 15 1HG THR 15 3.781 9.723 0.707 88 HG21 THR 15 3HG2 THR 15 5.025 10.868 3.283 89 HG22 THR 15 1HG2 THR 15 3.703 11.704 4.098 90 HG23 THR 15 2HG2 THR 15 4.498 12.451 2.712 91 HA PRO 16 HA PRO 16 -1.179 8.210 1.886 92 HB2 PRO 16 2HB PRO 16 -2.332 9.208 3.604 93 HB3 PRO 16 1HB PRO 16 -2.848 10.307 2.319 94 HG2 PRO 16 1HG PRO 16 -1.288 11.924 2.900 95 HG3 PRO 16 2HG PRO 16 -1.631 11.237 4.499 96 HD2 PRO 16 1HD PRO 16 0.874 11.378 3.481 97 HD3 PRO 16 2HD PRO 16 0.355 10.069 4.562 98 H GLY 17 H GLY 17 0.718 10.535 0.542 99 HA2 GLY 17 1HA GLY 17 -1.171 11.108 -1.647 100 HA3 GLY 17 2HA GLY 17 0.262 12.056 -1.275 101 H LYS 18 H LYS 18 1.446 9.138 -0.875 102 HA LYS 18 HA LYS 18 2.442 9.000 -3.616 103 HB2 LYS 18 1HB LYS 18 3.354 7.590 -1.101 104 HB3 LYS 18 2HB LYS 18 4.128 7.445 -2.673 105 HG2 LYS 18 1HG LYS 18 4.856 9.684 -2.636 106 HG3 LYS 18 2HG LYS 18 3.796 10.085 -1.283 107 HD2 LYS 18 1HD LYS 18 5.860 9.884 -0.252 108 HD3 LYS 18 2HD LYS 18 5.163 8.280 -0.011 109 HE2 LYS 18 1HE LYS 18 6.473 7.348 -1.744 110 HE3 LYS 18 2HE LYS 18 6.944 8.937 -2.344 111 HZ1 LYS 18 3HZ LYS 18 7.809 8.952 0.227 112 HZ2 LYS 18 1HZ LYS 18 8.771 8.643 -1.130 113 HZ3 LYS 18 2HZ LYS 18 8.109 7.357 -0.252 114 H VAL 19 H VAL 19 0.931 6.911 -1.177 115 HA VAL 19 HA VAL 19 0.847 4.493 -2.390 116 HB VAL 19 HB VAL 19 -1.393 5.871 -0.912 117 HG11 VAL 19 1HG1 VAL 19 -2.509 4.204 -2.122 118 HG12 VAL 19 2HG1 VAL 19 -1.181 3.057 -1.937 119 HG13 VAL 19 3HG1 VAL 19 -2.190 3.471 -0.551 120 HG21 VAL 19 3HG2 VAL 19 -0.610 4.780 1.008 121 HG22 VAL 19 1HG2 VAL 19 0.379 3.658 0.074 122 HG23 VAL 19 2HG2 VAL 19 0.852 5.351 0.204 123 H ALA 20 H ALA 20 -0.922 7.351 -3.343 124 HA ALA 20 HA ALA 20 -2.869 6.256 -4.992 125 HB1 ALA 20 3HB ALA 20 -1.560 8.860 -4.713 126 HB2 ALA 20 1HB ALA 20 -2.202 8.538 -6.324 127 HB3 ALA 20 2HB ALA 20 -3.265 8.461 -4.918 128 H THR 21 H THR 21 0.501 7.067 -5.731 129 HA THR 21 HA THR 21 0.362 6.399 -8.483 130 HB THR 21 HB THR 21 2.770 6.495 -6.655 131 HG1 THR 21 1HG THR 21 1.401 8.466 -7.097 132 HG21 THR 21 3HG2 THR 21 2.724 5.308 -9.077 133 HG22 THR 21 1HG2 THR 21 4.130 6.156 -8.435 134 HG23 THR 21 2HG2 THR 21 3.043 6.975 -9.556 135 H TRP 22 H TRP 22 1.800 4.644 -5.728 136 HA TRP 22 HA TRP 22 2.512 2.327 -7.063 137 HB2 TRP 22 1HB TRP 22 3.181 2.810 -4.752 138 HB3 TRP 22 2HB TRP 22 1.518 2.588 -4.216 139 HD1 TRP 22 HD TRP 22 4.574 0.609 -5.394 140 HE1 TRP 22 1HE TRP 22 4.231 -1.870 -4.788 141 HE3 TRP 22 3HE TRP 22 -0.277 0.827 -3.792 142 HZ2 TRP 22 2HZ TRP 22 2.176 -3.514 -3.768 143 HZ3 TRP 22 3HZ TRP 22 -1.358 -1.243 -3.018 144 HH2 TRP 22 HH TRP 22 -0.155 -3.368 -3.008 145 H LEU 23 H LEU 23 -0.625 3.371 -5.944 146 HA LEU 23 HA LEU 23 -1.904 0.831 -6.217 147 HB2 LEU 23 1HB LEU 23 -2.776 3.633 -5.748 148 HB3 LEU 23 2HB LEU 23 -3.974 2.480 -6.332 149 HG LEU 23 HG LEU 23 -2.351 2.144 -3.811 150 HD11 LEU 23 1HD1 LEU 23 -4.063 3.030 -2.585 151 HD12 LEU 23 2HD1 LEU 23 -5.277 2.675 -3.813 152 HD13 LEU 23 3HD1 LEU 23 -4.172 4.032 -4.032 153 HD21 LEU 23 3HD2 LEU 23 -3.760 0.279 -5.349 154 HD22 LEU 23 1HD2 LEU 23 -4.804 0.654 -3.977 155 HD23 LEU 23 2HD2 LEU 23 -3.159 0.079 -3.702 156 H ARG 24 H ARG 24 -1.574 3.694 -8.262 157 HA ARG 24 HA ARG 24 -3.320 2.884 -10.312 158 HB2 ARG 24 1HB ARG 24 -2.214 5.183 -9.895 159 HB3 ARG 24 2HB ARG 24 -0.855 4.534 -10.803 160 HG2 ARG 24 1HG ARG 24 -3.603 4.413 -11.961 161 HG3 ARG 24 2HG ARG 24 -2.687 5.921 -12.010 162 HD2 ARG 24 1HD ARG 24 -0.791 4.312 -12.915 163 HD3 ARG 24 2HD ARG 24 -2.181 3.336 -13.389 164 HE ARG 24 HE ARG 24 -2.631 4.854 -15.038 165 HH11 ARG 24 2HH1 ARG 24 -0.475 6.306 -12.721 166 HH12 ARG 24 1HH1 ARG 24 -0.212 7.734 -13.666 167 HH21 ARG 24 1HH2 ARG 24 -1.247 7.974 -15.696 168 HH22 ARG 24 2HH2 ARG 24 -2.292 6.729 -16.291 169 H GLY 25 H GLY 25 0.023 2.106 -9.624 170 HA2 GLY 25 1HA GLY 25 0.580 0.950 -12.184 171 HA3 GLY 25 2HA GLY 25 1.552 0.779 -10.730 172 H LEU 26 H LEU 26 -0.474 -0.326 -9.064 173 HA LEU 26 HA LEU 26 -0.130 -2.984 -9.255 174 HB2 LEU 26 1HB LEU 26 -2.363 -1.327 -8.228 175 HB3 LEU 26 2HB LEU 26 -2.643 -3.061 -8.374 176 HG LEU 26 HG LEU 26 -0.255 -2.021 -6.891 177 HD11 LEU 26 1HD1 LEU 26 -3.055 -1.730 -6.138 178 HD12 LEU 26 2HD1 LEU 26 -1.610 -0.992 -5.448 179 HD13 LEU 26 3HD1 LEU 26 -2.097 -2.611 -4.947 180 HD21 LEU 26 3HD2 LEU 26 -1.866 -4.439 -6.213 181 HD22 LEU 26 1HD2 LEU 26 -0.146 -4.128 -5.979 182 HD23 LEU 26 2HD2 LEU 26 -0.765 -4.490 -7.590 183 H ASP 27 H ASP 27 -2.903 -1.293 -10.727 184 HA ASP 27 HA ASP 27 -2.832 -2.956 -13.049 185 HB2 ASP 27 1HB ASP 27 -4.755 -3.560 -10.856 186 HB3 ASP 27 2HB ASP 27 -5.348 -3.654 -12.511 187 H ASP 28 H ASP 28 -4.767 -2.490 -14.490 188 HA ASP 28 HA ASP 28 -5.227 0.380 -14.441 189 HB2 ASP 28 1HB ASP 28 -5.956 -1.691 -16.524 190 HB3 ASP 28 2HB ASP 28 -6.122 0.052 -16.712 191 H SER 29 H SER 29 -6.863 -2.484 -13.588 192 HA SER 29 HA SER 29 -9.535 -1.540 -14.008 193 HB2 SER 29 1HB SER 29 -8.708 -3.988 -13.814 194 HB3 SER 29 2HB SER 29 -8.795 -3.722 -12.073 195 HG SER 29 HG SER 29 -10.734 -4.599 -13.161 196 H LEU 30 H LEU 30 -7.161 -0.802 -11.762 197 HA LEU 30 HA LEU 30 -9.141 -0.001 -9.738 198 HB2 LEU 30 1HB LEU 30 -6.158 -0.234 -9.399 199 HB3 LEU 30 2HB LEU 30 -7.357 0.026 -8.134 200 HG LEU 30 HG LEU 30 -7.294 -2.483 -9.791 201 HD11 LEU 30 1HD1 LEU 30 -5.485 -3.203 -8.738 202 HD12 LEU 30 2HD1 LEU 30 -6.257 -2.912 -7.181 203 HD13 LEU 30 3HD1 LEU 30 -5.318 -1.634 -7.950 204 HD21 LEU 30 3HD2 LEU 30 -9.315 -1.748 -8.395 205 HD22 LEU 30 1HD2 LEU 30 -8.308 -2.112 -6.993 206 HD23 LEU 30 2HD2 LEU 30 -8.695 -3.383 -8.153 207 H GLN 31 H GLN 31 -6.674 1.123 -11.911 208 HA GLN 31 HA GLN 31 -6.016 3.596 -10.933 209 HB2 GLN 31 1HB GLN 31 -5.257 4.107 -13.040 210 HB3 GLN 31 2HB GLN 31 -5.391 2.359 -13.174 211 HG2 GLN 31 1HG GLN 31 -7.535 2.583 -14.285 212 HG3 GLN 31 2HG GLN 31 -7.462 4.335 -14.103 213 HE21 GLN 31 2HE2 GLN 31 -6.409 3.618 -17.520 214 HE22 GLN 31 1HE2 GLN 31 -7.840 3.493 -16.562 215 H ASP 32 H ASP 32 -9.093 2.516 -11.964 216 HA ASP 32 HA ASP 32 -10.229 5.013 -12.693 217 HB2 ASP 32 1HB ASP 32 -11.138 2.685 -13.210 218 HB3 ASP 32 2HB ASP 32 -11.745 2.665 -11.557 219 H TYR 33 H TYR 33 -10.354 3.118 -9.682 220 HA TYR 33 HA TYR 33 -11.952 4.738 -8.150 221 HB2 TYR 33 1HB TYR 33 -9.564 3.058 -7.414 222 HB3 TYR 33 2HB TYR 33 -10.490 3.926 -6.196 223 HD1 TYR 33 1HD TYR 33 -10.570 1.193 -8.651 224 HD2 TYR 33 2HD TYR 33 -12.699 3.201 -5.563 225 HE1 TYR 33 1HE TYR 33 -12.175 -0.668 -8.557 226 HE2 TYR 33 2HE TYR 33 -14.310 1.345 -5.459 227 HH TYR 33 HH TYR 33 -14.645 -0.839 -6.076 228 HA PRO 34 HA PRO 34 -9.784 8.563 -7.776 229 HB2 PRO 34 2HB PRO 34 -11.822 9.480 -7.243 230 HB3 PRO 34 1HB PRO 34 -11.115 9.547 -5.624 231 HG2 PRO 34 1HG PRO 34 -12.204 7.617 -4.931 232 HG3 PRO 34 2HG PRO 34 -13.411 8.265 -6.056 233 HD2 PRO 34 1HD PRO 34 -12.391 5.768 -6.294 234 HD3 PRO 34 2HD PRO 34 -12.886 6.735 -7.698 235 H PHE 35 H PHE 35 -7.765 7.526 -7.160 236 HA PHE 35 HA PHE 35 -7.207 6.879 -4.441 237 HB2 PHE 35 1HB PHE 35 -5.280 7.471 -6.697 238 HB3 PHE 35 2HB PHE 35 -4.880 6.682 -5.175 239 HD1 PHE 35 2HD PHE 35 -7.424 4.982 -5.042 240 HD2 PHE 35 1HD PHE 35 -4.597 5.716 -8.138 241 HE1 PHE 35 2HE PHE 35 -7.952 2.795 -6.038 242 HE2 PHE 35 1HE PHE 35 -5.122 3.531 -9.140 243 HZ PHE 35 HZ PHE 35 -6.800 2.066 -8.089 244 H GLU 36 H GLU 36 -6.968 9.766 -6.382 245 HA GLU 36 HA GLU 36 -5.237 11.226 -4.678 246 HB2 GLU 36 1HB GLU 36 -7.242 12.080 -6.762 247 HB3 GLU 36 2HB GLU 36 -6.250 13.230 -5.876 248 HG2 GLU 36 1HG GLU 36 -4.275 11.762 -6.709 249 HG3 GLU 36 2HG GLU 36 -5.439 11.205 -7.909 250 H ASP 37 H ASP 37 -8.395 10.184 -4.253 251 HA ASP 37 HA ASP 37 -8.996 12.350 -2.354 252 HB2 ASP 37 1HB ASP 37 -10.753 10.435 -3.871 253 HB3 ASP 37 2HB ASP 37 -11.345 11.279 -2.443 254 H TRP 38 H TRP 38 -8.424 8.943 -2.679 255 HA TRP 38 HA TRP 38 -9.511 7.908 -0.368 256 HB2 TRP 38 1HB TRP 38 -7.070 7.226 -1.965 257 HB3 TRP 38 2HB TRP 38 -7.364 6.394 -0.440 258 HD1 TRP 38 HD TRP 38 -10.274 7.322 -2.744 259 HE1 TRP 38 1HE TRP 38 -11.328 5.156 -3.652 260 HE3 TRP 38 3HE TRP 38 -6.853 3.956 -0.984 261 HZ2 TRP 38 2HZ TRP 38 -10.781 2.387 -3.624 262 HZ3 TRP 38 3HZ TRP 38 -7.191 1.568 -1.468 263 HH2 TRP 38 HH TRP 38 -9.116 0.801 -2.760 264 H GLN 39 H GLN 39 -6.589 9.813 -0.764 265 HA GLN 39 HA GLN 39 -5.026 10.556 0.743 266 HB2 GLN 39 1HB GLN 39 -7.679 11.062 2.069 267 HB3 GLN 39 2HB GLN 39 -6.171 11.602 2.796 268 HG2 GLN 39 1HG GLN 39 -7.276 12.409 0.116 269 HG3 GLN 39 2HG GLN 39 -7.165 13.407 1.566 270 HE21 GLN 39 2HE2 GLN 39 -3.924 14.438 0.967 271 HE22 GLN 39 1HE2 GLN 39 -5.363 14.541 1.917 272 H LEU 40 H LEU 40 -5.310 7.756 0.865 273 HA LEU 40 HA LEU 40 -5.340 7.062 3.693 274 HB2 LEU 40 1HB LEU 40 -6.471 5.550 2.216 275 HB3 LEU 40 2HB LEU 40 -5.044 5.411 1.192 276 HG LEU 40 HG LEU 40 -3.997 4.479 3.457 277 HD11 LEU 40 1HD1 LEU 40 -6.280 4.880 4.558 278 HD12 LEU 40 2HD1 LEU 40 -5.485 3.330 4.831 279 HD13 LEU 40 3HD1 LEU 40 -6.804 3.451 3.667 280 HD21 LEU 40 3HD2 LEU 40 -5.754 2.657 1.853 281 HD22 LEU 40 1HD2 LEU 40 -4.151 2.354 2.524 282 HD23 LEU 40 2HD2 LEU 40 -4.336 3.421 1.132 283 HA PRO 41 HA PRO 41 -0.916 7.690 3.830 284 HB2 PRO 41 2HB PRO 41 -1.264 8.663 5.882 285 HB3 PRO 41 1HB PRO 41 -0.661 7.108 6.469 286 HG2 PRO 41 1HG PRO 41 -2.794 6.296 6.891 287 HG3 PRO 41 2HG PRO 41 -3.047 8.018 7.228 288 HD2 PRO 41 1HD PRO 41 -4.543 6.650 5.432 289 HD3 PRO 41 2HD PRO 41 -4.159 8.373 5.240 290 H GLY 42 H GLY 42 0.949 6.381 4.198 291 HA2 GLY 42 1HA GLY 42 0.721 3.721 3.374 292 HA3 GLY 42 2HA GLY 42 2.149 4.427 4.116 293 H LYS 43 H LYS 43 1.488 4.942 6.636 294 HA LYS 43 HA LYS 43 1.776 2.647 8.035 295 HB2 LYS 43 1HB LYS 43 0.672 3.833 9.969 296 HB3 LYS 43 2HB LYS 43 1.970 4.722 9.183 297 HG2 LYS 43 1HG LYS 43 0.480 6.201 8.143 298 HG3 LYS 43 2HG LYS 43 -0.908 5.157 8.459 299 HD2 LYS 43 1HD LYS 43 -0.756 5.610 10.830 300 HD3 LYS 43 2HD LYS 43 0.716 6.553 10.586 301 HE2 LYS 43 1HE LYS 43 -1.828 7.286 9.183 302 HE3 LYS 43 2HE LYS 43 -1.544 7.786 10.850 303 HZ1 LYS 43 3HZ LYS 43 0.401 8.968 10.186 304 HZ2 LYS 43 1HZ LYS 43 -0.863 9.447 9.168 305 HZ3 LYS 43 2HZ LYS 43 0.311 8.366 8.607 306 H ASN 44 H ASN 44 -1.252 3.977 6.842 307 HA ASN 44 HA ASN 44 -2.838 1.936 8.143 308 HB2 ASN 44 1HB ASN 44 -3.444 4.265 6.348 309 HB3 ASN 44 2HB ASN 44 -4.662 3.024 6.627 310 HD21 ASN 44 2HD2 ASN 44 -5.435 4.035 9.864 311 HD22 ASN 44 1HD2 ASN 44 -5.602 2.829 8.638 312 H LEU 45 H LEU 45 -1.464 2.566 4.993 313 HA LEU 45 HA LEU 45 -2.923 0.881 3.371 314 HB2 LEU 45 1HB LEU 45 -1.127 2.386 2.609 315 HB3 LEU 45 2HB LEU 45 0.063 1.294 3.313 316 HG LEU 45 HG LEU 45 -0.757 -0.469 1.722 317 HD11 LEU 45 1HD1 LEU 45 -2.489 -0.126 0.374 318 HD12 LEU 45 2HD1 LEU 45 -1.837 1.415 -0.181 319 HD13 LEU 45 3HD1 LEU 45 -2.814 1.349 1.285 320 HD21 LEU 45 3HD2 LEU 45 0.820 1.907 1.155 321 HD22 LEU 45 1HD2 LEU 45 0.145 1.173 -0.300 322 HD23 LEU 45 2HD2 LEU 45 1.149 0.213 0.787 323 H LEU 46 H LEU 46 0.035 0.027 5.174 324 HA LEU 46 HA LEU 46 -0.152 -2.743 4.574 325 HB2 LEU 46 1HB LEU 46 1.359 -1.315 6.756 326 HB3 LEU 46 2HB LEU 46 1.577 -3.006 6.313 327 HG LEU 46 HG LEU 46 2.093 -0.706 4.435 328 HD11 LEU 46 1HD1 LEU 46 3.788 -1.954 6.521 329 HD12 LEU 46 2HD1 LEU 46 3.780 -0.303 5.900 330 HD13 LEU 46 3HD1 LEU 46 4.538 -1.593 4.966 331 HD21 LEU 46 3HD2 LEU 46 2.463 -2.257 2.888 332 HD22 LEU 46 1HD2 LEU 46 1.810 -3.455 4.006 333 HD23 LEU 46 2HD2 LEU 46 3.546 -3.144 3.962 334 H GLN 47 H GLN 47 -1.648 -0.723 6.910 335 HA GLN 47 HA GLN 47 -2.435 -3.025 8.548 336 HB2 GLN 47 1HB GLN 47 -2.624 -0.050 9.023 337 HB3 GLN 47 2HB GLN 47 -3.355 -1.244 10.087 338 HG2 GLN 47 1HG GLN 47 -0.421 -0.994 9.462 339 HG3 GLN 47 2HG GLN 47 -1.217 -0.478 10.948 340 HE21 GLN 47 2HE2 GLN 47 -1.551 -3.725 12.272 341 HE22 GLN 47 1HE2 GLN 47 -2.206 -2.126 12.269 342 H LEU 48 H LEU 48 -3.483 -1.823 5.820 343 HA LEU 48 HA LEU 48 -6.128 -1.027 6.150 344 HB2 LEU 48 1HB LEU 48 -4.564 -2.274 3.957 345 HB3 LEU 48 2HB LEU 48 -6.320 -2.274 3.812 346 HG LEU 48 HG LEU 48 -4.651 0.207 4.203 347 HD11 LEU 48 1HD1 LEU 48 -5.366 0.566 1.760 348 HD12 LEU 48 2HD1 LEU 48 -5.616 -1.179 1.729 349 HD13 LEU 48 3HD1 LEU 48 -4.018 -0.524 2.088 350 HD21 LEU 48 3HD2 LEU 48 -7.391 -0.264 4.527 351 HD22 LEU 48 1HD2 LEU 48 -7.226 0.552 2.972 352 HD23 LEU 48 2HD2 LEU 48 -6.573 1.296 4.432 353 H CYS 49 H CYS 49 -7.914 -2.553 4.995 354 HA CYS 49 HA CYS 49 -7.842 -5.305 5.713 355 HB2 CYS 49 1HB CYS 49 -9.041 -3.352 7.610 356 HB3 CYS 49 2HB CYS 49 -9.921 -4.851 7.335 357 HG CYS 49 HG CYS 49 -7.778 -6.494 8.109 358 HA PRO 50 HA PRO 50 -11.164 -5.521 2.860 359 HB2 PRO 50 2HB PRO 50 -11.076 -7.808 3.067 360 HB3 PRO 50 1HB PRO 50 -12.653 -7.574 3.830 361 HG2 PRO 50 1HG PRO 50 -11.776 -7.703 5.976 362 HG3 PRO 50 2HG PRO 50 -10.683 -8.812 5.127 363 HD2 PRO 50 1HD PRO 50 -9.789 -6.683 6.542 364 HD3 PRO 50 2HD PRO 50 -8.957 -7.284 5.094 365 H GLN 51 H GLN 51 -11.852 -4.942 6.192 366 HA GLN 51 HA GLN 51 -14.661 -4.360 5.708 367 HB2 GLN 51 1HB GLN 51 -13.682 -5.465 7.828 368 HB3 GLN 51 2HB GLN 51 -13.193 -3.837 8.279 369 HG2 GLN 51 1HG GLN 51 -15.242 -4.207 9.353 370 HG3 GLN 51 2HG GLN 51 -15.609 -3.167 7.978 371 HE21 GLN 51 2HE2 GLN 51 -17.567 -6.566 8.436 372 HE22 GLN 51 1HE2 GLN 51 -16.636 -5.772 9.656 373 H SER 52 H SER 52 -11.632 -2.689 6.246 374 HA SER 52 HA SER 52 -12.836 -0.103 6.579 375 HB2 SER 52 1HB SER 52 -10.477 -0.998 7.356 376 HB3 SER 52 2HB SER 52 -9.976 -0.437 5.761 377 HG SER 52 HG SER 52 -10.586 1.620 6.297 378 H LEU 53 H LEU 53 -10.987 -1.676 3.975 379 HA LEU 53 HA LEU 53 -10.838 0.231 2.081 380 HB2 LEU 53 1HB LEU 53 -11.356 -2.687 1.947 381 HB3 LEU 53 2HB LEU 53 -11.556 -1.756 0.464 382 HG LEU 53 HG LEU 53 -9.021 -1.454 1.999 383 HD11 LEU 53 1HD1 LEU 53 -9.921 -3.915 0.596 384 HD12 LEU 53 2HD1 LEU 53 -8.888 -3.733 2.013 385 HD13 LEU 53 3HD1 LEU 53 -8.244 -3.401 0.405 386 HD21 LEU 53 3HD2 LEU 53 -9.614 -1.580 -0.954 387 HD22 LEU 53 1HD2 LEU 53 -8.102 -1.087 -0.193 388 HD23 LEU 53 2HD2 LEU 53 -9.547 -0.094 -0.006 389 H GLU 54 H GLU 54 -13.740 -1.683 2.790 390 HA GLU 54 HA GLU 54 -15.447 -0.879 0.823 391 HB2 GLU 54 1HB GLU 54 -16.201 -1.078 3.743 392 HB3 GLU 54 2HB GLU 54 -17.279 -1.257 2.366 393 HG2 GLU 54 1HG GLU 54 -15.772 -3.212 1.685 394 HG3 GLU 54 2HG GLU 54 -15.146 -3.121 3.330 395 H ALA 55 H ALA 55 -14.616 0.915 3.760 396 HA ALA 55 HA ALA 55 -16.375 3.025 3.601 397 HB1 ALA 55 3HB ALA 55 -13.478 3.285 4.387 398 HB2 ALA 55 1HB ALA 55 -14.827 4.294 4.910 399 HB3 ALA 55 2HB ALA 55 -14.732 2.611 5.428 400 H LEU 56 H LEU 56 -13.410 2.504 1.775 401 HA LEU 56 HA LEU 56 -13.570 5.095 0.495 402 HB2 LEU 56 1HB LEU 56 -11.778 2.774 -0.189 403 HB3 LEU 56 2HB LEU 56 -11.570 4.457 -0.668 404 HG LEU 56 HG LEU 56 -11.383 3.438 2.166 405 HD11 LEU 56 1HD1 LEU 56 -9.516 3.264 0.032 406 HD12 LEU 56 2HD1 LEU 56 -9.304 2.817 1.724 407 HD13 LEU 56 3HD1 LEU 56 -8.927 4.456 1.192 408 HD21 LEU 56 3HD2 LEU 56 -11.100 6.124 0.884 409 HD22 LEU 56 1HD2 LEU 56 -10.191 5.735 2.344 410 HD23 LEU 56 2HD2 LEU 56 -11.953 5.670 2.360 411 H ALA 57 H ALA 57 -15.732 3.053 0.185 412 HA ALA 57 HA ALA 57 -17.205 2.453 -1.448 413 HB1 ALA 57 3HB ALA 57 -17.371 4.258 -2.747 414 HB2 ALA 57 1HB ALA 57 -15.637 4.576 -2.670 415 HB3 ALA 57 2HB ALA 57 -16.273 3.428 -3.850 416 H VAL 58 H VAL 58 -14.887 0.826 -0.777 417 HA VAL 58 HA VAL 58 -14.530 -0.621 -3.321 418 HB VAL 58 HB VAL 58 -12.704 -0.759 -0.921 419 HG11 VAL 58 1HG1 VAL 58 -11.541 -2.323 -2.019 420 HG12 VAL 58 2HG1 VAL 58 -12.987 -2.509 -3.014 421 HG13 VAL 58 3HG1 VAL 58 -11.669 -1.469 -3.556 422 HG21 VAL 58 3HG2 VAL 58 -12.835 1.156 -3.148 423 HG22 VAL 58 1HG2 VAL 58 -12.093 1.312 -1.556 424 HG23 VAL 58 2HG2 VAL 58 -11.241 0.465 -2.847 425 H ARG 59 H ARG 59 -16.526 -1.743 -2.947 426 HA ARG 59 HA ARG 59 -16.551 -3.595 -0.679 427 HB2 ARG 59 1HB ARG 59 -18.710 -3.024 -2.718 428 HB3 ARG 59 2HB ARG 59 -18.883 -4.010 -1.272 429 HG2 ARG 59 1HG ARG 59 -19.762 -2.092 -0.469 430 HG3 ARG 59 2HG ARG 59 -18.065 -1.751 -0.124 431 HD2 ARG 59 1HD ARG 59 -17.972 -0.653 -2.409 432 HD3 ARG 59 2HD ARG 59 -19.732 -0.765 -2.425 433 HE ARG 59 HE ARG 59 -18.591 0.527 -0.100 434 HH11 ARG 59 2HH1 ARG 59 -19.929 0.911 -3.291 435 HH12 ARG 59 1HH1 ARG 59 -20.355 2.574 -3.054 436 HH21 ARG 59 1HH2 ARG 59 -19.910 3.599 -1.054 437 HH22 ARG 59 2HH2 ARG 59 -19.148 2.715 0.224 438 H SER 60 H SER 60 -16.518 -3.529 -4.199 439 HA SER 60 HA SER 60 -16.992 -6.156 -4.831 440 HB2 SER 60 1HB SER 60 -14.961 -4.287 -6.075 441 HB3 SER 60 2HB SER 60 -15.508 -5.798 -6.802 442 HG SER 60 HG SER 60 -17.455 -3.968 -6.008 443 H LEU 61 H LEU 61 -15.742 -8.017 -5.055 444 HA LEU 61 HA LEU 61 -13.624 -8.276 -3.113 445 HB2 LEU 61 1HB LEU 61 -15.529 -9.959 -3.809 446 HB3 LEU 61 2HB LEU 61 -14.340 -10.458 -5.010 447 HG LEU 61 HG LEU 61 -14.385 -11.845 -2.933 448 HD11 LEU 61 1HD1 LEU 61 -12.257 -11.006 -4.462 449 HD12 LEU 61 2HD1 LEU 61 -12.248 -12.345 -3.315 450 HD13 LEU 61 3HD1 LEU 61 -11.696 -10.749 -2.810 451 HD21 LEU 61 3HD2 LEU 61 -13.747 -11.029 -0.867 452 HD22 LEU 61 1HD2 LEU 61 -14.729 -9.707 -1.500 453 HD23 LEU 61 2HD2 LEU 61 -12.969 -9.602 -1.554 454 H GLY 62 H GLY 62 -13.850 -9.200 -6.559 455 HA2 GLY 62 1HA GLY 62 -11.327 -9.799 -7.203 456 HA3 GLY 62 2HA GLY 62 -12.314 -8.801 -8.261 457 H HIS 63 H HIS 63 -12.468 -6.466 -6.771 458 HA HIS 63 HA HIS 63 -10.027 -5.222 -7.442 459 HB2 HIS 63 1HB HIS 63 -12.436 -4.338 -5.871 460 HB3 HIS 63 2HB HIS 63 -11.025 -3.298 -6.037 461 HD1 HIS 63 1HD HIS 63 -14.087 -3.144 -7.319 462 HD2 HIS 63 2HD HIS 63 -10.453 -3.766 -9.234 463 HE1 HIS 63 1HE HIS 63 -14.456 -2.442 -9.705 464 HE2 HIS 63 2HE HIS 63 -12.269 -2.908 -10.864 465 H GLN 64 H GLN 64 -11.423 -6.136 -4.306 466 HA GLN 64 HA GLN 64 -9.389 -5.131 -2.679 467 HB2 GLN 64 1HB GLN 64 -11.317 -7.416 -2.315 468 HB3 GLN 64 2HB GLN 64 -10.174 -6.950 -1.062 469 HG2 GLN 64 1HG GLN 64 -11.219 -4.928 -0.674 470 HG3 GLN 64 2HG GLN 64 -12.000 -4.913 -2.254 471 HE21 GLN 64 2HE2 GLN 64 -14.811 -5.654 -0.230 472 HE22 GLN 64 1HE2 GLN 64 -13.879 -4.362 -0.900 473 H GLU 65 H GLU 65 -9.758 -8.335 -4.159 474 HA GLU 65 HA GLU 65 -7.506 -9.544 -3.035 475 HB2 GLU 65 1HB GLU 65 -9.142 -10.013 -5.483 476 HB3 GLU 65 2HB GLU 65 -7.597 -10.842 -5.350 477 HG2 GLU 65 1HG GLU 65 -9.752 -10.964 -3.256 478 HG3 GLU 65 2HG GLU 65 -9.559 -12.148 -4.548 479 H LEU 66 H LEU 66 -7.844 -7.633 -5.995 480 HA LEU 66 HA LEU 66 -5.262 -7.968 -7.000 481 HB2 LEU 66 1HB LEU 66 -7.337 -5.838 -7.264 482 HB3 LEU 66 2HB LEU 66 -5.731 -5.575 -7.939 483 HG LEU 66 HG LEU 66 -7.486 -7.916 -8.665 484 HD11 LEU 66 1HD1 LEU 66 -8.750 -6.388 -9.708 485 HD12 LEU 66 2HD1 LEU 66 -7.421 -6.323 -10.865 486 HD13 LEU 66 3HD1 LEU 66 -7.523 -5.129 -9.572 487 HD21 LEU 66 3HD2 LEU 66 -5.817 -7.512 -10.740 488 HD22 LEU 66 1HD2 LEU 66 -5.472 -8.610 -9.404 489 HD23 LEU 66 2HD2 LEU 66 -4.789 -6.984 -9.406 490 H ILE 67 H ILE 67 -6.536 -5.401 -4.887 491 HA ILE 67 HA ILE 67 -4.013 -4.126 -4.552 492 HB ILE 67 HB ILE 67 -6.530 -3.927 -2.894 493 HG12 ILE 67 1HG1 ILE 67 -5.405 -2.081 -5.013 494 HG13 ILE 67 2HG1 ILE 67 -6.743 -3.199 -5.256 495 HG21 ILE 67 1HG2 ILE 67 -5.608 -2.034 -1.820 496 HG22 ILE 67 2HG2 ILE 67 -4.378 -3.294 -1.732 497 HG23 ILE 67 3HG2 ILE 67 -4.226 -1.995 -2.914 498 HD11 ILE 67 3HD1 ILE 67 -7.262 -0.732 -4.796 499 HD12 ILE 67 1HD1 ILE 67 -8.179 -1.960 -3.924 500 HD13 ILE 67 2HD1 ILE 67 -6.858 -1.110 -3.122 501 H LEU 68 H LEU 68 -6.012 -5.870 -2.162 502 HA LEU 68 HA LEU 68 -4.177 -6.069 -0.135 503 HB2 LEU 68 1HB LEU 68 -6.351 -7.932 -1.027 504 HB3 LEU 68 2HB LEU 68 -5.362 -8.289 0.387 505 HG LEU 68 HG LEU 68 -7.068 -5.821 0.061 506 HD11 LEU 68 1HD1 LEU 68 -8.814 -6.915 0.904 507 HD12 LEU 68 2HD1 LEU 68 -7.826 -7.729 2.116 508 HD13 LEU 68 3HD1 LEU 68 -7.951 -8.396 0.489 509 HD21 LEU 68 3HD2 LEU 68 -5.693 -5.090 1.676 510 HD22 LEU 68 1HD2 LEU 68 -5.081 -6.707 2.027 511 HD23 LEU 68 2HD2 LEU 68 -6.613 -6.174 2.720 512 H GLY 69 H GLY 69 -4.400 -8.010 -3.055 513 HA2 GLY 69 1HA GLY 69 -2.613 -10.059 -2.317 514 HA3 GLY 69 2HA GLY 69 -2.987 -9.574 -3.964 515 H GLY 70 H GLY 70 -2.063 -6.802 -3.457 516 HA2 GLY 70 1HA GLY 70 0.766 -7.330 -3.934 517 HA3 GLY 70 2HA GLY 70 -0.074 -5.813 -4.221 518 H VAL 71 H VAL 71 -1.286 -5.748 -1.568 519 HA VAL 71 HA VAL 71 0.713 -4.309 -0.206 520 HB VAL 71 HB VAL 71 -1.873 -5.447 0.866 521 HG11 VAL 71 1HG1 VAL 71 -1.486 -3.386 2.453 522 HG12 VAL 71 2HG1 VAL 71 -0.755 -4.953 2.806 523 HG13 VAL 71 3HG1 VAL 71 0.207 -3.679 2.057 524 HG21 VAL 71 3HG2 VAL 71 -1.198 -3.092 -0.756 525 HG22 VAL 71 1HG2 VAL 71 -2.726 -3.954 -0.583 526 HG23 VAL 71 2HG2 VAL 71 -2.241 -2.769 0.629 527 H GLU 72 H GLU 72 -0.639 -7.546 0.364 528 HA GLU 72 HA GLU 72 0.671 -8.238 2.676 529 HB2 GLU 72 1HB GLU 72 0.498 -10.578 1.923 530 HB3 GLU 72 2HB GLU 72 -0.989 -9.683 1.645 531 HG2 GLU 72 1HG GLU 72 -0.563 -9.524 -0.680 532 HG3 GLU 72 2HG GLU 72 1.085 -10.118 -0.484 533 H GLN 73 H GLN 73 1.941 -8.099 -0.588 534 HA GLN 73 HA GLN 73 4.392 -9.434 -0.023 535 HB2 GLN 73 1HB GLN 73 3.560 -7.588 -2.261 536 HB3 GLN 73 2HB GLN 73 5.132 -8.373 -2.192 537 HG2 GLN 73 1HG GLN 73 2.672 -10.036 -1.984 538 HG3 GLN 73 2HG GLN 73 3.167 -9.418 -3.558 539 HE21 GLN 73 2HE2 GLN 73 4.676 -12.794 -2.582 540 HE22 GLN 73 1HE2 GLN 73 3.097 -12.154 -2.301 541 H LEU 74 H LEU 74 3.360 -6.066 -0.017 542 HA LEU 74 HA LEU 74 5.914 -4.910 0.304 543 HB2 LEU 74 1HB LEU 74 3.147 -3.962 0.999 544 HB3 LEU 74 2HB LEU 74 4.582 -2.975 1.270 545 HG LEU 74 HG LEU 74 3.725 -4.016 -1.428 546 HD11 LEU 74 1HD1 LEU 74 2.203 -2.408 -1.484 547 HD12 LEU 74 2HD1 LEU 74 3.487 -1.218 -1.279 548 HD13 LEU 74 3HD1 LEU 74 2.658 -1.872 0.133 549 HD21 LEU 74 3HD2 LEU 74 5.452 -1.659 -1.197 550 HD22 LEU 74 1HD2 LEU 74 5.556 -3.044 -2.283 551 HD23 LEU 74 2HD2 LEU 74 6.185 -3.164 -0.640 552 H GLN 75 H GLN 75 3.373 -5.605 2.708 553 HA GLN 75 HA GLN 75 4.456 -4.780 5.018 554 HB2 GLN 75 1HB GLN 75 2.958 -7.284 4.357 555 HB3 GLN 75 2HB GLN 75 3.568 -7.054 5.990 556 HG2 GLN 75 1HG GLN 75 2.370 -4.809 5.945 557 HG3 GLN 75 2HG GLN 75 1.553 -5.408 4.502 558 HE21 GLN 75 2HE2 GLN 75 -0.732 -7.331 6.234 559 HE22 GLN 75 1HE2 GLN 75 -0.169 -6.684 4.735 560 H ALA 76 H ALA 76 5.679 -7.362 3.037 561 HA ALA 76 HA ALA 76 7.411 -8.507 4.989 562 HB1 ALA 76 3HB ALA 76 6.686 -9.027 2.283 563 HB2 ALA 76 1HB ALA 76 8.446 -8.992 2.405 564 HB3 ALA 76 2HB ALA 76 7.511 -10.081 3.431 565 H LEU 77 H LEU 77 8.291 -6.738 2.017 566 HA LEU 77 HA LEU 77 10.920 -6.199 2.765 567 HB2 LEU 77 1HB LEU 77 10.798 -4.374 1.057 568 HB3 LEU 77 2HB LEU 77 10.309 -5.970 0.491 569 HG LEU 77 HG LEU 77 7.900 -5.055 1.070 570 HD11 LEU 77 1HD1 LEU 77 7.805 -2.631 0.410 571 HD12 LEU 77 2HD1 LEU 77 9.550 -2.574 0.657 572 HD13 LEU 77 3HD1 LEU 77 8.481 -2.957 2.006 573 HD21 LEU 77 3HD2 LEU 77 9.609 -4.820 -1.333 574 HD22 LEU 77 1HD2 LEU 77 8.088 -3.927 -1.344 575 HD23 LEU 77 2HD2 LEU 77 8.083 -5.674 -1.102 576 H SER 78 H SER 78 7.987 -4.753 3.800 577 HA SER 78 HA SER 78 9.038 -2.219 4.573 578 HB2 SER 78 1HB SER 78 6.715 -2.212 4.315 579 HB3 SER 78 2HB SER 78 6.517 -3.734 5.184 580 HG SER 78 HG SER 78 7.333 -1.280 6.354 581 H SER 79 H SER 79 10.317 -1.769 6.228 582 HA SER 79 HA SER 79 11.337 -1.843 8.265 583 HB2 SER 79 1HB SER 79 8.866 -2.334 8.973 584 HB3 SER 79 2HB SER 79 9.455 -3.979 9.215 585 HG SER 79 HG SER 79 11.219 -2.426 10.352 586 H ARG 80 H ARG 80 12.057 -3.599 6.060 587 HA ARG 80 HA ARG 80 13.507 -5.630 7.610 588 HB2 ARG 80 1HB ARG 80 11.727 -6.837 6.532 589 HB3 ARG 80 2HB ARG 80 12.058 -6.051 4.995 590 HG2 ARG 80 1HG ARG 80 14.424 -7.164 5.326 591 HG3 ARG 80 2HG ARG 80 13.496 -8.269 6.342 592 HD2 ARG 80 1HD ARG 80 12.604 -7.575 3.564 593 HD3 ARG 80 2HD ARG 80 13.788 -8.849 3.854 594 HE ARG 80 HE ARG 80 10.979 -9.006 4.270 595 HH11 ARG 80 2HH1 ARG 80 14.041 -10.113 5.501 596 HH12 ARG 80 1HH1 ARG 80 13.390 -11.569 6.178 597 HH21 ARG 80 1HH2 ARG 80 11.154 -12.027 5.981 598 HH22 ARG 80 2HH2 ARG 80 10.110 -10.920 5.157 599 H LEU 81 H LEU 81 15.623 -5.843 7.109 600 HA LEU 81 HA LEU 81 16.854 -3.851 5.495 601 HB2 LEU 81 1HB LEU 81 17.800 -6.202 7.065 602 HB3 LEU 81 2HB LEU 81 18.901 -5.438 5.920 603 HG LEU 81 HG LEU 81 17.532 -3.732 7.945 604 HD11 LEU 81 1HD1 LEU 81 18.932 -4.294 9.692 605 HD12 LEU 81 2HD1 LEU 81 20.096 -5.098 8.640 606 HD13 LEU 81 3HD1 LEU 81 18.553 -5.871 9.001 607 HD21 LEU 81 3HD2 LEU 81 20.121 -2.954 7.770 608 HD22 LEU 81 1HD2 LEU 81 18.822 -2.330 6.753 609 HD23 LEU 81 2HD2 LEU 81 19.862 -3.624 6.159 610 H GLN 82 H GLN 82 17.352 -3.881 3.402 611 HA GLN 82 HA GLN 82 16.573 -6.059 1.744 612 HB2 GLN 82 1HB GLN 82 17.807 -3.384 1.328 613 HB3 GLN 82 2HB GLN 82 17.995 -4.571 0.044 614 HG2 GLN 82 1HG GLN 82 15.284 -4.108 1.172 615 HG3 GLN 82 2HG GLN 82 15.971 -2.904 0.083 616 HE21 GLN 82 2HE2 GLN 82 14.859 -4.666 -2.658 617 HE22 GLN 82 1HE2 GLN 82 15.069 -3.164 -1.829 618 H THR 83 H THR 83 17.839 -7.779 2.668 619 HA THR 83 HA THR 83 20.327 -8.151 1.273 620 HB THR 83 HB THR 83 21.145 -6.926 3.228 621 HG1 THR 83 1HG THR 83 22.733 -8.287 2.875 622 HG21 THR 83 3HG2 THR 83 20.531 -7.330 5.362 623 HG22 THR 83 1HG2 THR 83 20.516 -9.078 5.134 624 HG23 THR 83 2HG2 THR 83 19.135 -8.110 4.618 625 H GLU 84 H GLU 84 20.123 -10.141 0.505 626 HA GLU 84 HA GLU 84 19.719 -12.385 2.218 627 HB2 GLU 84 1HB GLU 84 17.627 -13.191 1.376 628 HB3 GLU 84 2HB GLU 84 17.378 -11.543 1.936 629 HG2 GLU 84 1HG GLU 84 17.860 -10.955 -0.574 630 HG3 GLU 84 2HG GLU 84 17.371 -12.629 -0.831 631 H ASN 85 H ASN 85 20.292 -14.319 1.246 632 HA ASN 85 HA ASN 85 22.164 -14.380 -0.706 633 HB2 ASN 85 1HB ASN 85 20.090 -16.535 -0.239 634 HB3 ASN 85 2HB ASN 85 21.649 -16.760 -1.027 635 HD21 ASN 85 2HD2 ASN 85 23.195 -17.518 1.946 636 HD22 ASN 85 1HD2 ASN 85 23.028 -17.745 0.241 637 H SER 86 H SER 86 18.726 -15.134 -1.301 638 HA SER 86 HA SER 86 18.660 -15.531 -3.958 639 HB2 SER 86 1HB SER 86 16.613 -15.562 -2.705 640 HB3 SER 86 2HB SER 86 16.755 -13.846 -2.323 641 HG SER 86 HG SER 86 15.750 -15.058 -4.550 642 H GLY 87 H GLY 87 18.412 -12.264 -2.534 643 HA2 GLY 87 1HA GLY 87 18.859 -10.195 -3.428 644 HA3 GLY 87 2HA GLY 87 20.235 -10.995 -4.174 645 HA PRO 88 HA PRO 88 17.626 -9.373 -7.604 646 HB2 PRO 88 2HB PRO 88 19.035 -7.576 -7.858 647 HB3 PRO 88 1HB PRO 88 19.733 -8.591 -9.126 648 HG2 PRO 88 1HG PRO 88 21.474 -9.310 -7.769 649 HG3 PRO 88 2HG PRO 88 21.242 -7.671 -7.132 650 HD2 PRO 88 1HD PRO 88 21.142 -9.873 -5.559 651 HD3 PRO 88 2HD PRO 88 20.169 -8.424 -5.237 652 H SER 89 H SER 89 20.173 -11.691 -7.326 653 HA SER 89 HA SER 89 20.423 -12.663 -9.902 654 HB2 SER 89 1HB SER 89 20.400 -14.302 -7.356 655 HB3 SER 89 2HB SER 89 21.119 -14.780 -8.893 656 HG SER 89 HG SER 89 22.579 -13.848 -7.269 657 H SER 90 H SER 90 18.713 -12.976 -11.196 658 HA SER 90 HA SER 90 16.693 -14.920 -10.318 659 HB2 SER 90 1HB SER 90 16.168 -12.272 -11.682 660 HB3 SER 90 2HB SER 90 14.972 -13.563 -11.567 661 HG SER 90 HG SER 90 14.543 -12.463 -9.785 662 H GLY 91 H GLY 91 18.063 -13.157 -13.087 663 HA2 GLY 91 1HA GLY 91 19.050 -14.821 -14.755 664 HA3 GLY 91 2HA GLY 91 17.422 -15.483 -14.784 Start of MODEL 11 1 H1 GLY 1 H GLY 1 18.749 18.515 -9.241 2 HA2 GLY 1 1HA GLY 1 18.138 15.796 -8.360 3 HA3 GLY 1 2HA GLY 1 19.270 16.905 -7.600 4 H SER 2 H SER 2 15.954 15.886 -7.824 5 HA SER 2 HA SER 2 15.017 17.879 -5.946 6 HB2 SER 2 1HB SER 2 12.844 16.714 -6.156 7 HB3 SER 2 2HB SER 2 13.518 17.139 -7.729 8 HG SER 2 HG SER 2 13.210 14.631 -6.534 9 H SER 3 H SER 3 15.288 17.690 -3.834 10 HA SER 3 HA SER 3 16.484 15.778 -2.394 11 HB2 SER 3 1HB SER 3 15.546 17.960 -1.525 12 HB3 SER 3 2HB SER 3 13.992 17.143 -1.360 13 HG SER 3 HG SER 3 14.924 16.877 0.582 14 H GLY 4 H GLY 4 16.235 13.650 -2.318 15 HA2 GLY 4 1HA GLY 4 13.558 12.557 -1.850 16 HA3 GLY 4 2HA GLY 4 14.443 11.972 -3.251 17 H SER 5 H SER 5 13.564 10.974 -0.391 18 HA SER 5 HA SER 5 15.708 10.279 1.152 19 HB2 SER 5 1HB SER 5 13.254 8.645 0.481 20 HB3 SER 5 2HB SER 5 14.401 8.201 1.745 21 HG SER 5 HG SER 5 12.369 9.706 2.083 22 H SER 6 H SER 6 17.465 9.053 0.940 23 HA SER 6 HA SER 6 18.137 7.877 -1.548 24 HB2 SER 6 1HB SER 6 19.438 7.701 1.176 25 HB3 SER 6 2HB SER 6 20.134 6.995 -0.282 26 HG SER 6 HG SER 6 20.454 8.986 -1.111 27 H GLY 7 H GLY 7 17.812 6.306 1.645 28 HA2 GLY 7 1HA GLY 7 17.697 3.687 0.562 29 HA3 GLY 7 2HA GLY 7 17.268 4.144 2.204 30 H MET 8 H MET 8 15.717 2.281 1.498 31 HA MET 8 HA MET 8 13.328 3.445 0.237 32 HB2 MET 8 1HB MET 8 14.208 1.419 -0.846 33 HB3 MET 8 2HB MET 8 14.046 0.540 0.669 34 HG2 MET 8 1HG MET 8 11.648 1.865 -0.489 35 HG3 MET 8 2HG MET 8 12.228 0.363 -1.204 36 HE1 MET 8 3HE MET 8 9.155 -0.784 0.715 37 HE2 MET 8 1HE MET 8 9.193 0.967 0.922 38 HE3 MET 8 2HE MET 8 9.647 0.253 -0.625 39 H GLU 9 H GLU 9 12.285 4.427 1.909 40 HA GLU 9 HA GLU 9 12.098 3.398 4.530 41 HB2 GLU 9 1HB GLU 9 10.100 5.263 3.260 42 HB3 GLU 9 2HB GLU 9 10.544 5.146 4.957 43 HG2 GLU 9 1HG GLU 9 12.239 6.201 2.708 44 HG3 GLU 9 2HG GLU 9 11.517 7.123 4.026 45 HA PRO 10 HA PRO 10 8.935 0.365 4.269 46 HB2 PRO 10 2HB PRO 10 9.364 -0.089 6.480 47 HB3 PRO 10 1HB PRO 10 7.768 0.636 6.705 48 HG2 PRO 10 1HG PRO 10 8.649 2.692 7.326 49 HG3 PRO 10 2HG PRO 10 9.899 1.612 7.972 50 HD2 PRO 10 1HD PRO 10 10.460 3.618 6.242 51 HD3 PRO 10 2HD PRO 10 11.376 2.098 6.271 52 H VAL 11 H VAL 11 6.827 0.150 3.662 53 HA VAL 11 HA VAL 11 5.377 2.380 2.811 54 HB VAL 11 HB VAL 11 4.226 -0.343 3.428 55 HG11 VAL 11 1HG1 VAL 11 3.288 2.040 1.910 56 HG12 VAL 11 2HG1 VAL 11 2.847 0.435 1.323 57 HG13 VAL 11 3HG1 VAL 11 2.388 0.937 2.950 58 HG21 VAL 11 3HG2 VAL 11 6.202 -0.568 2.021 59 HG22 VAL 11 1HG2 VAL 11 4.738 -0.905 1.097 60 HG23 VAL 11 2HG2 VAL 11 5.564 0.642 0.908 61 H GLU 12 H GLU 12 5.109 0.450 5.761 62 HA GLU 12 HA GLU 12 2.753 1.484 6.793 63 HB2 GLU 12 1HB GLU 12 3.332 0.485 8.781 64 HB3 GLU 12 2HB GLU 12 4.396 -0.373 7.675 65 HG2 GLU 12 1HG GLU 12 6.247 1.049 8.292 66 HG3 GLU 12 2HG GLU 12 5.195 2.011 9.328 67 H THR 13 H THR 13 5.713 3.062 6.256 68 HA THR 13 HA THR 13 4.982 5.248 8.088 69 HB THR 13 HB THR 13 7.290 6.009 7.947 70 HG1 THR 13 1HG THR 13 7.458 4.931 5.712 71 HG21 THR 13 3HG2 THR 13 7.014 3.067 8.559 72 HG22 THR 13 1HG2 THR 13 6.835 4.410 9.687 73 HG23 THR 13 2HG2 THR 13 8.415 4.044 8.995 74 H TRP 14 H TRP 14 5.223 4.347 4.804 75 HA TRP 14 HA TRP 14 5.843 6.656 3.460 76 HB2 TRP 14 1HB TRP 14 3.896 4.449 2.849 77 HB3 TRP 14 2HB TRP 14 4.081 5.813 1.750 78 HD1 TRP 14 HD TRP 14 7.377 5.157 3.194 79 HE1 TRP 14 1HE TRP 14 8.829 3.761 1.592 80 HE3 TRP 14 3HE TRP 14 3.743 3.599 -0.047 81 HZ2 TRP 14 2HZ TRP 14 8.481 2.205 -0.737 82 HZ3 TRP 14 3HZ TRP 14 4.386 2.160 -1.936 83 HH2 TRP 14 HH TRP 14 6.706 1.479 -2.273 84 H THR 15 H THR 15 4.520 8.303 2.468 85 HA THR 15 HA THR 15 2.558 9.345 4.323 86 HB THR 15 HB THR 15 2.513 11.304 2.717 87 HG1 THR 15 1HG THR 15 3.261 10.526 0.819 88 HG21 THR 15 3HG2 THR 15 5.359 10.955 3.414 89 HG22 THR 15 1HG2 THR 15 4.215 10.734 4.737 90 HG23 THR 15 2HG2 THR 15 4.238 12.250 3.835 91 HA PRO 16 HA PRO 16 -1.095 8.177 2.185 92 HB2 PRO 16 2HB PRO 16 -2.272 9.161 3.895 93 HB3 PRO 16 1HB PRO 16 -2.690 10.328 2.634 94 HG2 PRO 16 1HG PRO 16 -1.087 11.853 3.338 95 HG3 PRO 16 2HG PRO 16 -1.522 11.123 4.894 96 HD2 PRO 16 1HD PRO 16 1.025 11.191 3.979 97 HD3 PRO 16 2HD PRO 16 0.408 9.867 4.988 98 H GLY 17 H GLY 17 0.964 10.427 0.987 99 HA2 GLY 17 1HA GLY 17 -0.815 11.202 -1.231 100 HA3 GLY 17 2HA GLY 17 0.667 12.035 -0.785 101 H LYS 18 H LYS 18 1.748 9.115 -0.449 102 HA LYS 18 HA LYS 18 2.724 8.960 -3.194 103 HB2 LYS 18 1HB LYS 18 3.606 7.493 -0.702 104 HB3 LYS 18 2HB LYS 18 4.380 7.373 -2.276 105 HG2 LYS 18 1HG LYS 18 5.235 9.527 -2.164 106 HG3 LYS 18 2HG LYS 18 4.077 10.026 -0.928 107 HD2 LYS 18 1HD LYS 18 5.197 8.769 0.749 108 HD3 LYS 18 2HD LYS 18 6.198 7.942 -0.447 109 HE2 LYS 18 1HE LYS 18 6.321 10.914 -0.282 110 HE3 LYS 18 2HE LYS 18 7.131 9.965 0.963 111 HZ1 LYS 18 3HZ LYS 18 8.261 8.756 -0.889 112 HZ2 LYS 18 1HZ LYS 18 8.699 10.383 -0.738 113 HZ3 LYS 18 2HZ LYS 18 7.630 9.904 -1.958 114 H VAL 19 H VAL 19 1.070 6.966 -0.784 115 HA VAL 19 HA VAL 19 0.939 4.524 -1.938 116 HB VAL 19 HB VAL 19 -1.335 6.023 -0.635 117 HG11 VAL 19 1HG1 VAL 19 -1.104 3.115 -1.387 118 HG12 VAL 19 2HG1 VAL 19 -2.288 3.742 -0.237 119 HG13 VAL 19 3HG1 VAL 19 -2.323 4.272 -1.920 120 HG21 VAL 19 3HG2 VAL 19 -0.506 4.061 1.080 121 HG22 VAL 19 1HG2 VAL 19 1.009 4.565 0.330 122 HG23 VAL 19 2HG2 VAL 19 -0.007 5.751 1.151 123 H ALA 20 H ALA 20 -0.472 7.436 -3.159 124 HA ALA 20 HA ALA 20 -2.421 6.332 -4.870 125 HB1 ALA 20 3HB ALA 20 -1.036 8.798 -5.734 126 HB2 ALA 20 1HB ALA 20 -2.760 8.451 -5.596 127 HB3 ALA 20 2HB ALA 20 -1.819 8.834 -4.154 128 H THR 21 H THR 21 0.991 7.145 -5.384 129 HA THR 21 HA THR 21 1.089 6.557 -8.130 130 HB THR 21 HB THR 21 3.294 6.401 -6.067 131 HG1 THR 21 1HG THR 21 3.775 8.477 -7.302 132 HG21 THR 21 3HG2 THR 21 4.861 6.402 -7.856 133 HG22 THR 21 1HG2 THR 21 3.595 6.666 -9.055 134 HG23 THR 21 2HG2 THR 21 3.701 5.122 -8.209 135 H TRP 22 H TRP 22 1.948 4.549 -5.316 136 HA TRP 22 HA TRP 22 2.633 2.246 -6.771 137 HB2 TRP 22 1HB TRP 22 3.245 2.579 -4.412 138 HB3 TRP 22 2HB TRP 22 1.549 2.450 -3.953 139 HD1 TRP 22 HD TRP 22 4.523 0.327 -5.061 140 HE1 TRP 22 1HE TRP 22 3.980 -2.151 -4.623 141 HE3 TRP 22 3HE TRP 22 -0.401 0.793 -3.767 142 HZ2 TRP 22 2HZ TRP 22 1.758 -3.702 -3.835 143 HZ3 TRP 22 3HZ TRP 22 -1.664 -1.237 -3.186 144 HH2 TRP 22 HH TRP 22 -0.606 -3.437 -3.220 145 H LEU 23 H LEU 23 -0.446 3.394 -5.502 146 HA LEU 23 HA LEU 23 -1.882 1.001 -6.120 147 HB2 LEU 23 1HB LEU 23 -2.572 3.745 -5.211 148 HB3 LEU 23 2HB LEU 23 -3.849 2.769 -5.936 149 HG LEU 23 HG LEU 23 -2.206 1.851 -3.583 150 HD11 LEU 23 1HD1 LEU 23 -3.692 4.010 -3.352 151 HD12 LEU 23 2HD1 LEU 23 -3.689 2.764 -2.105 152 HD13 LEU 23 3HD1 LEU 23 -4.999 2.828 -3.283 153 HD21 LEU 23 3HD2 LEU 23 -4.835 0.925 -4.737 154 HD22 LEU 23 1HD2 LEU 23 -4.071 0.289 -3.281 155 HD23 LEU 23 2HD2 LEU 23 -3.290 0.080 -4.849 156 H ARG 24 H ARG 24 -1.112 3.948 -7.821 157 HA ARG 24 HA ARG 24 -3.038 3.661 -9.894 158 HB2 ARG 24 1HB ARG 24 -1.664 5.749 -9.182 159 HB3 ARG 24 2HB ARG 24 -0.425 5.096 -10.245 160 HG2 ARG 24 1HG ARG 24 -3.176 5.361 -11.323 161 HG3 ARG 24 2HG ARG 24 -2.225 6.830 -11.090 162 HD2 ARG 24 1HD ARG 24 -0.929 4.524 -12.444 163 HD3 ARG 24 2HD ARG 24 -2.137 5.439 -13.345 164 HE ARG 24 HE ARG 24 0.497 6.326 -12.565 165 HH11 ARG 24 2HH1 ARG 24 -2.689 7.266 -13.608 166 HH12 ARG 24 1HH1 ARG 24 -2.175 8.800 -14.228 167 HH21 ARG 24 1HH2 ARG 24 0.029 9.411 -14.098 168 HH22 ARG 24 2HH2 ARG 24 1.185 8.343 -13.378 169 H GLY 25 H GLY 25 0.220 2.477 -9.392 170 HA2 GLY 25 1HA GLY 25 0.580 1.587 -12.102 171 HA3 GLY 25 2HA GLY 25 1.611 1.204 -10.732 172 H LEU 26 H LEU 26 -1.254 0.418 -9.554 173 HA LEU 26 HA LEU 26 -0.859 -2.382 -9.925 174 HB2 LEU 26 1HB LEU 26 -2.762 -0.655 -8.448 175 HB3 LEU 26 2HB LEU 26 -3.280 -2.301 -8.807 176 HG LEU 26 HG LEU 26 -0.673 -1.748 -7.425 177 HD11 LEU 26 1HD1 LEU 26 -1.719 -1.035 -5.607 178 HD12 LEU 26 2HD1 LEU 26 -2.589 -2.567 -5.535 179 HD13 LEU 26 3HD1 LEU 26 -3.285 -1.199 -6.403 180 HD21 LEU 26 3HD2 LEU 26 -0.751 -3.992 -6.802 181 HD22 LEU 26 1HD2 LEU 26 -1.342 -4.003 -8.464 182 HD23 LEU 26 2HD2 LEU 26 -2.481 -4.121 -7.123 183 H ASP 27 H ASP 27 -3.203 -3.586 -10.254 184 HA ASP 27 HA ASP 27 -3.637 -3.894 -12.887 185 HB2 ASP 27 1HB ASP 27 -4.799 -4.982 -10.776 186 HB3 ASP 27 2HB ASP 27 -6.087 -3.849 -11.177 187 H ASP 28 H ASP 28 -4.716 -2.934 -14.543 188 HA ASP 28 HA ASP 28 -5.105 -0.187 -14.554 189 HB2 ASP 28 1HB ASP 28 -6.353 -0.559 -16.681 190 HB3 ASP 28 2HB ASP 28 -4.808 -1.403 -16.619 191 H SER 29 H SER 29 -7.377 -2.781 -13.869 192 HA SER 29 HA SER 29 -9.743 -1.265 -13.917 193 HB2 SER 29 1HB SER 29 -9.388 -3.847 -13.761 194 HB3 SER 29 2HB SER 29 -9.373 -3.564 -12.020 195 HG SER 29 HG SER 29 -11.436 -2.672 -12.190 196 H LEU 30 H LEU 30 -7.163 -1.386 -11.658 197 HA LEU 30 HA LEU 30 -8.744 -0.255 -9.491 198 HB2 LEU 30 1HB LEU 30 -5.816 -0.940 -9.695 199 HB3 LEU 30 2HB LEU 30 -6.594 -0.295 -8.251 200 HG LEU 30 HG LEU 30 -7.268 -2.941 -9.537 201 HD11 LEU 30 1HD1 LEU 30 -5.291 -3.533 -8.636 202 HD12 LEU 30 2HD1 LEU 30 -6.219 -3.559 -7.136 203 HD13 LEU 30 3HD1 LEU 30 -5.247 -2.146 -7.547 204 HD21 LEU 30 3HD2 LEU 30 -8.342 -1.404 -7.231 205 HD22 LEU 30 1HD2 LEU 30 -8.225 -3.157 -7.082 206 HD23 LEU 30 2HD2 LEU 30 -9.175 -2.445 -8.387 207 H GLN 31 H GLN 31 -6.629 0.758 -12.026 208 HA GLN 31 HA GLN 31 -5.684 3.180 -11.006 209 HB2 GLN 31 1HB GLN 31 -6.142 2.079 -13.735 210 HB3 GLN 31 2HB GLN 31 -5.856 3.807 -13.586 211 HG2 GLN 31 1HG GLN 31 -3.776 3.235 -12.289 212 HG3 GLN 31 2HG GLN 31 -4.036 1.561 -12.776 213 HE21 GLN 31 2HE2 GLN 31 -1.718 3.309 -15.129 214 HE22 GLN 31 1HE2 GLN 31 -1.770 3.127 -13.412 215 H ASP 32 H ASP 32 -8.845 2.250 -11.870 216 HA ASP 32 HA ASP 32 -9.870 4.811 -12.584 217 HB2 ASP 32 1HB ASP 32 -11.142 2.215 -11.745 218 HB3 ASP 32 2HB ASP 32 -12.107 3.667 -12.003 219 H TYR 33 H TYR 33 -9.908 2.909 -9.585 220 HA TYR 33 HA TYR 33 -11.431 4.538 -7.980 221 HB2 TYR 33 1HB TYR 33 -9.034 2.826 -7.357 222 HB3 TYR 33 2HB TYR 33 -9.890 3.704 -6.094 223 HD1 TYR 33 2HD TYR 33 -12.522 3.332 -6.113 224 HD2 TYR 33 1HD TYR 33 -9.677 0.654 -7.797 225 HE1 TYR 33 2HE TYR 33 -14.153 1.499 -5.940 226 HE2 TYR 33 1HE TYR 33 -11.301 -1.186 -7.630 227 HH TYR 33 HH TYR 33 -13.341 -1.791 -7.011 228 HA PRO 34 HA PRO 34 -9.168 8.335 -7.791 229 HB2 PRO 34 2HB PRO 34 -11.197 9.332 -7.381 230 HB3 PRO 34 1HB PRO 34 -10.550 9.454 -5.740 231 HG2 PRO 34 1HG PRO 34 -11.720 7.589 -5.004 232 HG3 PRO 34 2HG PRO 34 -12.864 8.218 -6.204 233 HD2 PRO 34 1HD PRO 34 -11.910 5.685 -6.288 234 HD3 PRO 34 2HD PRO 34 -12.323 6.599 -7.753 235 H PHE 35 H PHE 35 -7.255 7.101 -7.022 236 HA PHE 35 HA PHE 35 -6.787 6.567 -4.301 237 HB2 PHE 35 1HB PHE 35 -4.776 7.176 -6.478 238 HB3 PHE 35 2HB PHE 35 -4.416 6.418 -4.930 239 HD1 PHE 35 2HD PHE 35 -6.414 4.431 -4.556 240 HD2 PHE 35 1HD PHE 35 -4.525 5.652 -8.170 241 HE1 PHE 35 2HE PHE 35 -6.864 2.219 -5.535 242 HE2 PHE 35 1HE PHE 35 -4.973 3.442 -9.155 243 HZ PHE 35 HZ PHE 35 -6.142 1.722 -7.836 244 H GLU 36 H GLU 36 -6.016 9.384 -6.309 245 HA GLU 36 HA GLU 36 -4.570 10.838 -4.413 246 HB2 GLU 36 1HB GLU 36 -6.370 11.929 -6.583 247 HB3 GLU 36 2HB GLU 36 -5.087 12.808 -5.763 248 HG2 GLU 36 1HG GLU 36 -3.409 11.599 -6.822 249 HG3 GLU 36 2HG GLU 36 -4.503 10.291 -7.267 250 H ASP 37 H ASP 37 -7.822 9.962 -4.400 251 HA ASP 37 HA ASP 37 -8.608 12.211 -2.693 252 HB2 ASP 37 1HB ASP 37 -10.051 11.422 -4.644 253 HB3 ASP 37 2HB ASP 37 -10.401 9.993 -3.675 254 H TRP 38 H TRP 38 -8.074 8.756 -2.665 255 HA TRP 38 HA TRP 38 -9.293 7.962 -0.341 256 HB2 TRP 38 1HB TRP 38 -6.686 7.136 -1.596 257 HB3 TRP 38 2HB TRP 38 -7.256 6.390 -0.106 258 HD1 TRP 38 HD TRP 38 -9.807 7.295 -2.782 259 HE1 TRP 38 1HE TRP 38 -10.754 5.129 -3.799 260 HE3 TRP 38 3HE TRP 38 -6.638 3.925 -0.607 261 HZ2 TRP 38 2HZ TRP 38 -10.227 2.358 -3.693 262 HZ3 TRP 38 3HZ TRP 38 -6.926 1.536 -1.117 263 HH2 TRP 38 HH TRP 38 -8.685 0.770 -2.628 264 H GLN 39 H GLN 39 -6.151 9.569 -0.680 265 HA GLN 39 HA GLN 39 -4.754 10.533 0.842 266 HB2 GLN 39 1HB GLN 39 -7.483 11.184 1.922 267 HB3 GLN 39 2HB GLN 39 -6.028 11.748 2.733 268 HG2 GLN 39 1HG GLN 39 -5.414 12.627 0.342 269 HG3 GLN 39 2HG GLN 39 -7.157 12.532 0.096 270 HE21 GLN 39 2HE2 GLN 39 -7.894 15.069 2.498 271 HE22 GLN 39 1HE2 GLN 39 -8.458 13.546 1.908 272 H LEU 40 H LEU 40 -5.215 7.729 1.196 273 HA LEU 40 HA LEU 40 -5.329 7.335 4.081 274 HB2 LEU 40 1HB LEU 40 -6.548 5.756 2.755 275 HB3 LEU 40 2HB LEU 40 -5.128 5.418 1.767 276 HG LEU 40 HG LEU 40 -4.117 4.607 4.049 277 HD11 LEU 40 1HD1 LEU 40 -6.817 5.190 4.764 278 HD12 LEU 40 2HD1 LEU 40 -5.506 4.584 5.774 279 HD13 LEU 40 3HD1 LEU 40 -6.542 3.454 4.904 280 HD21 LEU 40 3HD2 LEU 40 -4.186 2.947 2.506 281 HD22 LEU 40 1HD2 LEU 40 -5.868 3.262 2.077 282 HD23 LEU 40 2HD2 LEU 40 -5.485 2.371 3.551 283 HA PRO 41 HA PRO 41 -0.899 7.593 4.359 284 HB2 PRO 41 2HB PRO 41 -1.243 8.511 6.437 285 HB3 PRO 41 1HB PRO 41 -0.732 6.909 6.981 286 HG2 PRO 41 1HG PRO 41 -2.912 6.192 7.330 287 HG3 PRO 41 2HG PRO 41 -3.086 7.912 7.723 288 HD2 PRO 41 1HD PRO 41 -4.608 6.685 5.850 289 HD3 PRO 41 2HD PRO 41 -4.134 8.391 5.727 290 H GLY 42 H GLY 42 0.779 6.166 4.227 291 HA2 GLY 42 1HA GLY 42 0.421 3.550 3.504 292 HA3 GLY 42 2HA GLY 42 1.912 4.161 4.204 293 H LYS 43 H LYS 43 1.220 4.703 6.775 294 HA LYS 43 HA LYS 43 1.537 2.388 8.141 295 HB2 LYS 43 1HB LYS 43 0.798 3.506 10.114 296 HB3 LYS 43 2HB LYS 43 1.556 4.718 9.090 297 HG2 LYS 43 1HG LYS 43 -0.752 5.324 8.290 298 HG3 LYS 43 2HG LYS 43 -1.378 4.285 9.572 299 HD2 LYS 43 1HD LYS 43 -0.363 5.638 11.260 300 HD3 LYS 43 2HD LYS 43 0.528 6.570 10.055 301 HE2 LYS 43 1HE LYS 43 -1.301 7.915 10.731 302 HE3 LYS 43 2HE LYS 43 -1.704 7.291 9.133 303 HZ1 LYS 43 3HZ LYS 43 -2.898 6.669 11.726 304 HZ2 LYS 43 1HZ LYS 43 -2.817 5.420 10.587 305 HZ3 LYS 43 2HZ LYS 43 -3.634 6.853 10.214 306 H ASN 44 H ASN 44 -1.522 3.734 7.021 307 HA ASN 44 HA ASN 44 -3.067 1.623 8.256 308 HB2 ASN 44 1HB ASN 44 -3.667 4.093 6.708 309 HB3 ASN 44 2HB ASN 44 -4.863 2.802 6.661 310 HD21 ASN 44 2HD2 ASN 44 -6.260 4.025 9.565 311 HD22 ASN 44 1HD2 ASN 44 -6.445 3.515 7.924 312 H LEU 45 H LEU 45 -1.657 2.336 5.160 313 HA LEU 45 HA LEU 45 -3.143 0.739 3.459 314 HB2 LEU 45 1HB LEU 45 -1.357 2.252 2.734 315 HB3 LEU 45 2HB LEU 45 -0.158 1.168 3.437 316 HG LEU 45 HG LEU 45 -1.201 -0.573 1.781 317 HD11 LEU 45 1HD1 LEU 45 -1.644 0.981 -0.364 318 HD12 LEU 45 2HD1 LEU 45 -2.333 2.001 0.898 319 HD13 LEU 45 3HD1 LEU 45 -2.928 0.357 0.671 320 HD21 LEU 45 3HD2 LEU 45 0.967 -0.255 1.276 321 HD22 LEU 45 1HD2 LEU 45 0.862 1.496 1.459 322 HD23 LEU 45 2HD2 LEU 45 0.322 0.732 -0.037 323 H LEU 46 H LEU 46 -0.300 -0.183 5.392 324 HA LEU 46 HA LEU 46 -0.462 -2.939 4.637 325 HB2 LEU 46 1HB LEU 46 1.149 -1.351 6.581 326 HB3 LEU 46 2HB LEU 46 1.117 -3.108 6.723 327 HG LEU 46 HG LEU 46 1.991 -3.289 4.428 328 HD11 LEU 46 1HD1 LEU 46 2.592 -1.456 3.126 329 HD12 LEU 46 2HD1 LEU 46 2.506 -0.338 4.486 330 HD13 LEU 46 3HD1 LEU 46 1.025 -0.996 3.791 331 HD21 LEU 46 3HD2 LEU 46 3.657 -3.435 6.050 332 HD22 LEU 46 1HD2 LEU 46 3.512 -1.734 6.491 333 HD23 LEU 46 2HD2 LEU 46 4.254 -2.186 4.956 334 H GLN 47 H GLN 47 -2.065 -0.995 6.926 335 HA GLN 47 HA GLN 47 -2.912 -3.364 8.452 336 HB2 GLN 47 1HB GLN 47 -2.870 -0.439 9.189 337 HB3 GLN 47 2HB GLN 47 -3.705 -1.656 10.145 338 HG2 GLN 47 1HG GLN 47 -0.769 -1.747 9.501 339 HG3 GLN 47 2HG GLN 47 -1.441 -1.054 10.976 340 HE21 GLN 47 2HE2 GLN 47 -0.452 -4.434 11.862 341 HE22 GLN 47 1HE2 GLN 47 0.287 -2.932 11.434 342 H LEU 48 H LEU 48 -3.903 -2.188 5.816 343 HA LEU 48 HA LEU 48 -6.489 -1.130 6.247 344 HB2 LEU 48 1HB LEU 48 -4.993 -2.258 3.949 345 HB3 LEU 48 2HB LEU 48 -6.749 -2.185 3.813 346 HG LEU 48 HG LEU 48 -4.924 0.167 4.314 347 HD11 LEU 48 1HD1 LEU 48 -5.907 0.773 1.993 348 HD12 LEU 48 2HD1 LEU 48 -6.196 -0.961 1.856 349 HD13 LEU 48 3HD1 LEU 48 -4.557 -0.357 2.095 350 HD21 LEU 48 3HD2 LEU 48 -7.657 -0.157 4.871 351 HD22 LEU 48 1HD2 LEU 48 -7.563 0.814 3.401 352 HD23 LEU 48 2HD2 LEU 48 -6.726 1.341 4.862 353 H CYS 49 H CYS 49 -8.500 -2.262 5.429 354 HA CYS 49 HA CYS 49 -8.519 -5.138 5.904 355 HB2 CYS 49 1HB CYS 49 -9.873 -3.103 7.629 356 HB3 CYS 49 2HB CYS 49 -10.656 -4.656 7.367 357 HG CYS 49 HG CYS 49 -7.965 -3.903 9.222 358 HA PRO 50 HA PRO 50 -11.569 -5.217 2.755 359 HB2 PRO 50 2HB PRO 50 -11.539 -7.508 2.922 360 HB3 PRO 50 1HB PRO 50 -13.169 -7.258 3.557 361 HG2 PRO 50 1HG PRO 50 -12.476 -7.443 5.765 362 HG3 PRO 50 2HG PRO 50 -11.336 -8.557 4.988 363 HD2 PRO 50 1HD PRO 50 -10.525 -6.473 6.514 364 HD3 PRO 50 2HD PRO 50 -9.586 -7.063 5.128 365 H GLN 51 H GLN 51 -12.507 -4.660 6.023 366 HA GLN 51 HA GLN 51 -15.262 -4.033 5.331 367 HB2 GLN 51 1HB GLN 51 -15.468 -3.505 7.766 368 HB3 GLN 51 2HB GLN 51 -14.959 -5.154 7.428 369 HG2 GLN 51 1HG GLN 51 -12.762 -4.740 8.109 370 HG3 GLN 51 2HG GLN 51 -12.974 -2.992 8.027 371 HE21 GLN 51 2HE2 GLN 51 -14.630 -2.750 11.151 372 HE22 GLN 51 1HE2 GLN 51 -14.541 -2.061 9.569 373 H SER 52 H SER 52 -12.238 -2.437 5.847 374 HA SER 52 HA SER 52 -13.457 0.182 6.151 375 HB2 SER 52 1HB SER 52 -11.209 -0.748 7.208 376 HB3 SER 52 2HB SER 52 -10.525 -0.164 5.691 377 HG SER 52 HG SER 52 -12.002 1.786 6.442 378 H LEU 53 H LEU 53 -11.935 -1.764 3.690 379 HA LEU 53 HA LEU 53 -11.380 0.262 1.816 380 HB2 LEU 53 1HB LEU 53 -11.790 -2.688 1.675 381 HB3 LEU 53 2HB LEU 53 -11.732 -1.759 0.179 382 HG LEU 53 HG LEU 53 -9.516 -1.430 2.143 383 HD11 LEU 53 1HD1 LEU 53 -8.747 -3.447 0.340 384 HD12 LEU 53 2HD1 LEU 53 -10.275 -3.961 1.053 385 HD13 LEU 53 3HD1 LEU 53 -8.909 -3.560 2.093 386 HD21 LEU 53 3HD2 LEU 53 -9.172 -1.730 -0.789 387 HD22 LEU 53 1HD2 LEU 53 -8.343 -0.667 0.349 388 HD23 LEU 53 2HD2 LEU 53 -9.972 -0.272 -0.201 389 H GLU 54 H GLU 54 -14.317 -1.374 2.693 390 HA GLU 54 HA GLU 54 -15.850 -0.909 0.399 391 HB2 GLU 54 1HB GLU 54 -16.809 -0.945 3.266 392 HB3 GLU 54 2HB GLU 54 -17.798 -1.199 1.835 393 HG2 GLU 54 1HG GLU 54 -16.335 -3.192 1.330 394 HG3 GLU 54 2HG GLU 54 -15.664 -2.992 2.948 395 H ALA 55 H ALA 55 -14.943 1.193 3.033 396 HA ALA 55 HA ALA 55 -16.847 3.233 2.606 397 HB1 ALA 55 3HB ALA 55 -14.727 2.764 4.378 398 HB2 ALA 55 1HB ALA 55 -14.363 4.294 3.580 399 HB3 ALA 55 2HB ALA 55 -15.898 4.082 4.424 400 H LEU 56 H LEU 56 -13.751 2.514 1.131 401 HA LEU 56 HA LEU 56 -13.686 5.030 -0.311 402 HB2 LEU 56 1HB LEU 56 -11.894 2.627 -0.609 403 HB3 LEU 56 2HB LEU 56 -11.595 4.252 -1.223 404 HG LEU 56 HG LEU 56 -11.753 3.552 1.706 405 HD11 LEU 56 1HD1 LEU 56 -9.482 3.285 1.791 406 HD12 LEU 56 2HD1 LEU 56 -9.203 4.226 0.326 407 HD13 LEU 56 3HD1 LEU 56 -9.825 2.580 0.212 408 HD21 LEU 56 3HD2 LEU 56 -11.451 6.036 0.167 409 HD22 LEU 56 1HD2 LEU 56 -10.298 5.828 1.485 410 HD23 LEU 56 2HD2 LEU 56 -12.030 5.780 1.814 411 H ALA 57 H ALA 57 -15.884 3.092 -0.732 412 HA ALA 57 HA ALA 57 -17.183 2.395 -2.469 413 HB1 ALA 57 3HB ALA 57 -15.431 4.388 -3.638 414 HB2 ALA 57 1HB ALA 57 -15.920 3.162 -4.809 415 HB3 ALA 57 2HB ALA 57 -17.143 4.078 -3.927 416 H VAL 58 H VAL 58 -14.825 0.857 -1.468 417 HA VAL 58 HA VAL 58 -14.435 -0.887 -3.814 418 HB VAL 58 HB VAL 58 -12.596 -0.581 -1.436 419 HG11 VAL 58 1HG1 VAL 58 -11.632 -2.475 -2.074 420 HG12 VAL 58 2HG1 VAL 58 -12.886 -2.685 -3.298 421 HG13 VAL 58 3HG1 VAL 58 -11.394 -1.833 -3.699 422 HG21 VAL 58 3HG2 VAL 58 -11.112 0.196 -3.525 423 HG22 VAL 58 1HG2 VAL 58 -12.698 0.721 -4.089 424 HG23 VAL 58 2HG2 VAL 58 -12.065 1.318 -2.555 425 H ARG 59 H ARG 59 -16.386 -2.015 -3.310 426 HA ARG 59 HA ARG 59 -16.311 -3.609 -0.844 427 HB2 ARG 59 1HB ARG 59 -18.591 -3.067 -2.755 428 HB3 ARG 59 2HB ARG 59 -18.700 -4.071 -1.315 429 HG2 ARG 59 1HG ARG 59 -18.512 -2.255 0.120 430 HG3 ARG 59 2HG ARG 59 -17.816 -1.219 -1.128 431 HD2 ARG 59 1HD ARG 59 -20.014 -0.450 -0.881 432 HD3 ARG 59 2HD ARG 59 -20.055 -1.456 -2.328 433 HE ARG 59 HE ARG 59 -21.434 -2.929 -1.232 434 HH11 ARG 59 2HH1 ARG 59 -20.045 -0.708 1.061 435 HH12 ARG 59 1HH1 ARG 59 -21.060 -1.220 2.369 436 HH21 ARG 59 1HH2 ARG 59 -22.612 -2.872 2.038 437 HH22 ARG 59 2HH2 ARG 59 -22.776 -3.612 0.481 438 H SER 60 H SER 60 -16.541 -3.836 -4.349 439 HA SER 60 HA SER 60 -17.095 -6.501 -4.714 440 HB2 SER 60 1HB SER 60 -16.532 -4.546 -6.414 441 HB3 SER 60 2HB SER 60 -14.936 -5.296 -6.393 442 HG SER 60 HG SER 60 -16.216 -6.210 -8.019 443 H LEU 61 H LEU 61 -16.201 -8.246 -3.857 444 HA LEU 61 HA LEU 61 -13.850 -8.382 -2.426 445 HB2 LEU 61 1HB LEU 61 -15.812 -10.085 -2.764 446 HB3 LEU 61 2HB LEU 61 -14.746 -10.756 -3.997 447 HG LEU 61 HG LEU 61 -14.522 -11.985 -1.923 448 HD11 LEU 61 1HD1 LEU 61 -12.478 -11.050 -3.440 449 HD12 LEU 61 2HD1 LEU 61 -12.302 -12.222 -2.134 450 HD13 LEU 61 3HD1 LEU 61 -11.986 -10.514 -1.833 451 HD21 LEU 61 3HD2 LEU 61 -13.215 -9.899 -0.380 452 HD22 LEU 61 1HD2 LEU 61 -14.460 -11.053 0.100 453 HD23 LEU 61 2HD2 LEU 61 -14.914 -9.546 -0.696 454 H GLY 62 H GLY 62 -14.308 -9.603 -5.754 455 HA2 GLY 62 1HA GLY 62 -11.852 -10.413 -6.457 456 HA3 GLY 62 2HA GLY 62 -12.844 -9.462 -7.553 457 H HIS 63 H HIS 63 -12.802 -6.979 -6.628 458 HA HIS 63 HA HIS 63 -10.301 -5.991 -7.384 459 HB2 HIS 63 1HB HIS 63 -12.670 -4.774 -5.999 460 HB3 HIS 63 2HB HIS 63 -11.193 -3.840 -6.213 461 HD1 HIS 63 1HD HIS 63 -14.116 -3.482 -7.621 462 HD2 HIS 63 2HD HIS 63 -10.595 -4.873 -9.334 463 HE1 HIS 63 1HE HIS 63 -14.364 -3.078 -10.090 464 HE2 HIS 63 2HE HIS 63 -12.259 -4.005 -11.115 465 H GLN 64 H GLN 64 -11.717 -6.371 -4.149 466 HA GLN 64 HA GLN 64 -9.710 -5.232 -2.630 467 HB2 GLN 64 1HB GLN 64 -11.636 -7.471 -2.107 468 HB3 GLN 64 2HB GLN 64 -10.428 -7.047 -0.901 469 HG2 GLN 64 1HG GLN 64 -11.340 -4.936 -0.549 470 HG3 GLN 64 2HG GLN 64 -12.243 -4.972 -2.062 471 HE21 GLN 64 2HE2 GLN 64 -14.961 -5.573 0.081 472 HE22 GLN 64 1HE2 GLN 64 -14.085 -4.372 -0.799 473 H GLU 65 H GLU 65 -9.943 -8.565 -3.826 474 HA GLU 65 HA GLU 65 -7.638 -9.565 -2.593 475 HB2 GLU 65 1HB GLU 65 -9.302 -10.356 -4.927 476 HB3 GLU 65 2HB GLU 65 -7.704 -11.075 -4.797 477 HG2 GLU 65 1HG GLU 65 -9.876 -11.190 -2.717 478 HG3 GLU 65 2HG GLU 65 -9.386 -12.500 -3.791 479 H LEU 66 H LEU 66 -8.083 -7.902 -5.675 480 HA LEU 66 HA LEU 66 -5.523 -8.261 -6.730 481 HB2 LEU 66 1HB LEU 66 -7.530 -6.046 -7.045 482 HB3 LEU 66 2HB LEU 66 -6.009 -6.077 -7.933 483 HG LEU 66 HG LEU 66 -8.087 -8.254 -8.097 484 HD11 LEU 66 1HD1 LEU 66 -8.906 -6.026 -8.896 485 HD12 LEU 66 2HD1 LEU 66 -8.859 -7.287 -10.127 486 HD13 LEU 66 3HD1 LEU 66 -7.605 -6.048 -10.087 487 HD21 LEU 66 3HD2 LEU 66 -6.561 -9.356 -9.269 488 HD22 LEU 66 1HD2 LEU 66 -5.394 -8.073 -8.948 489 HD23 LEU 66 2HD2 LEU 66 -6.413 -7.997 -10.385 490 H ILE 67 H ILE 67 -6.788 -5.571 -4.769 491 HA ILE 67 HA ILE 67 -4.266 -4.255 -4.581 492 HB ILE 67 HB ILE 67 -6.762 -3.932 -2.912 493 HG12 ILE 67 1HG1 ILE 67 -5.675 -2.274 -5.199 494 HG13 ILE 67 2HG1 ILE 67 -7.026 -3.397 -5.313 495 HG21 ILE 67 1HG2 ILE 67 -4.579 -3.198 -1.850 496 HG22 ILE 67 2HG2 ILE 67 -4.484 -1.983 -3.125 497 HG23 ILE 67 3HG2 ILE 67 -5.836 -1.969 -1.992 498 HD11 ILE 67 3HD1 ILE 67 -7.736 -1.056 -5.135 499 HD12 ILE 67 1HD1 ILE 67 -8.324 -2.045 -3.799 500 HD13 ILE 67 2HD1 ILE 67 -6.957 -0.957 -3.556 501 H LEU 68 H LEU 68 -6.226 -5.876 -2.074 502 HA LEU 68 HA LEU 68 -4.477 -5.876 0.005 503 HB2 LEU 68 1HB LEU 68 -6.527 -7.826 -0.912 504 HB3 LEU 68 2HB LEU 68 -5.463 -8.294 0.413 505 HG LEU 68 HG LEU 68 -7.331 -5.925 0.375 506 HD11 LEU 68 1HD1 LEU 68 -8.207 -7.353 2.399 507 HD12 LEU 68 2HD1 LEU 68 -7.484 -8.679 1.490 508 HD13 LEU 68 3HD1 LEU 68 -8.740 -7.686 0.751 509 HD21 LEU 68 3HD2 LEU 68 -6.685 -5.806 2.808 510 HD22 LEU 68 1HD2 LEU 68 -5.440 -5.305 1.662 511 HD23 LEU 68 2HD2 LEU 68 -5.350 -6.894 2.424 512 H GLY 69 H GLY 69 -4.358 -7.922 -2.847 513 HA2 GLY 69 1HA GLY 69 -2.440 -9.775 -1.958 514 HA3 GLY 69 2HA GLY 69 -2.747 -9.353 -3.636 515 H GLY 70 H GLY 70 -2.015 -6.725 -3.747 516 HA2 GLY 70 1HA GLY 70 0.793 -6.900 -3.948 517 HA3 GLY 70 2HA GLY 70 -0.154 -5.426 -4.091 518 H VAL 71 H VAL 71 -1.303 -5.591 -1.444 519 HA VAL 71 HA VAL 71 0.675 -4.194 -0.001 520 HB VAL 71 HB VAL 71 -1.909 -5.428 0.959 521 HG11 VAL 71 1HG1 VAL 71 -0.281 -3.312 2.350 522 HG12 VAL 71 2HG1 VAL 71 -1.708 -4.157 2.956 523 HG13 VAL 71 3HG1 VAL 71 -0.187 -5.027 2.750 524 HG21 VAL 71 3HG2 VAL 71 -1.394 -3.200 -0.682 525 HG22 VAL 71 1HG2 VAL 71 -2.930 -3.685 0.037 526 HG23 VAL 71 2HG2 VAL 71 -1.868 -2.566 0.894 527 H GLU 72 H GLU 72 -0.273 -7.555 -0.071 528 HA GLU 72 HA GLU 72 0.878 -8.413 2.335 529 HB2 GLU 72 1HB GLU 72 0.362 -9.820 -0.278 530 HB3 GLU 72 2HB GLU 72 1.059 -10.650 1.106 531 HG2 GLU 72 1HG GLU 72 -1.019 -9.685 2.359 532 HG3 GLU 72 2HG GLU 72 -1.688 -9.566 0.732 533 H GLN 73 H GLN 73 2.260 -7.998 -0.888 534 HA GLN 73 HA GLN 73 4.804 -9.100 -0.209 535 HB2 GLN 73 1HB GLN 73 3.754 -7.507 -2.527 536 HB3 GLN 73 2HB GLN 73 5.476 -7.829 -2.370 537 HG2 GLN 73 1HG GLN 73 4.865 -10.278 -2.210 538 HG3 GLN 73 2HG GLN 73 3.245 -9.804 -2.718 539 HE21 GLN 73 2HE2 GLN 73 6.259 -10.114 -5.374 540 HE22 GLN 73 1HE2 GLN 73 6.469 -10.405 -3.684 541 H LEU 74 H LEU 74 3.347 -5.952 0.004 542 HA LEU 74 HA LEU 74 5.738 -4.440 0.236 543 HB2 LEU 74 1HB LEU 74 2.872 -3.953 0.958 544 HB3 LEU 74 2HB LEU 74 4.125 -2.800 1.415 545 HG LEU 74 HG LEU 74 3.156 -3.530 -1.331 546 HD11 LEU 74 1HD1 LEU 74 2.735 -1.381 0.478 547 HD12 LEU 74 2HD1 LEU 74 2.083 -1.602 -1.146 548 HD13 LEU 74 3HD1 LEU 74 3.619 -0.767 -0.919 549 HD21 LEU 74 3HD2 LEU 74 5.785 -2.334 -0.525 550 HD22 LEU 74 1HD2 LEU 74 5.037 -1.950 -2.076 551 HD23 LEU 74 2HD2 LEU 74 5.459 -3.619 -1.689 552 H GLN 75 H GLN 75 3.470 -5.729 2.656 553 HA GLN 75 HA GLN 75 4.673 -4.787 4.954 554 HB2 GLN 75 1HB GLN 75 3.233 -7.390 4.448 555 HB3 GLN 75 2HB GLN 75 3.720 -6.858 6.052 556 HG2 GLN 75 1HG GLN 75 2.314 -4.906 5.874 557 HG3 GLN 75 2HG GLN 75 1.891 -5.328 4.215 558 HE21 GLN 75 2HE2 GLN 75 -0.697 -7.430 5.104 559 HE22 GLN 75 1HE2 GLN 75 0.186 -6.593 3.877 560 H ALA 76 H ALA 76 5.795 -7.194 2.763 561 HA ALA 76 HA ALA 76 7.608 -8.464 4.599 562 HB1 ALA 76 3HB ALA 76 7.001 -9.913 2.919 563 HB2 ALA 76 1HB ALA 76 7.068 -8.667 1.672 564 HB3 ALA 76 2HB ALA 76 8.561 -9.340 2.329 565 H LEU 77 H LEU 77 8.301 -6.724 1.563 566 HA LEU 77 HA LEU 77 10.978 -6.238 2.047 567 HB2 LEU 77 1HB LEU 77 10.658 -4.262 0.486 568 HB3 LEU 77 2HB LEU 77 10.208 -5.853 -0.125 569 HG LEU 77 HG LEU 77 7.812 -5.093 0.719 570 HD11 LEU 77 1HD1 LEU 77 9.276 -2.791 1.213 571 HD12 LEU 77 2HD1 LEU 77 7.520 -2.931 1.141 572 HD13 LEU 77 3HD1 LEU 77 8.425 -2.455 -0.295 573 HD21 LEU 77 3HD2 LEU 77 9.038 -4.100 -1.852 574 HD22 LEU 77 1HD2 LEU 77 7.326 -4.386 -1.542 575 HD23 LEU 77 2HD2 LEU 77 8.454 -5.741 -1.571 576 H SER 78 H SER 78 8.203 -4.145 2.791 577 HA SER 78 HA SER 78 9.528 -1.949 3.802 578 HB2 SER 78 1HB SER 78 7.168 -1.810 3.541 579 HB3 SER 78 2HB SER 78 6.896 -3.195 4.598 580 HG SER 78 HG SER 78 7.648 -1.927 6.336 581 H SER 79 H SER 79 8.132 -4.522 5.843 582 HA SER 79 HA SER 79 10.387 -4.139 7.700 583 HB2 SER 79 1HB SER 79 8.356 -3.136 8.644 584 HB3 SER 79 2HB SER 79 7.494 -4.659 8.430 585 HG SER 79 HG SER 79 8.172 -4.902 10.434 586 H ARG 80 H ARG 80 11.336 -5.946 8.507 587 HA ARG 80 HA ARG 80 10.167 -8.537 7.734 588 HB2 ARG 80 1HB ARG 80 13.039 -7.627 7.594 589 HB3 ARG 80 2HB ARG 80 12.583 -9.325 7.556 590 HG2 ARG 80 1HG ARG 80 11.336 -7.428 5.623 591 HG3 ARG 80 2HG ARG 80 12.976 -8.016 5.342 592 HD2 ARG 80 1HD ARG 80 10.864 -9.996 6.022 593 HD3 ARG 80 2HD ARG 80 10.855 -9.291 4.406 594 HE ARG 80 HE ARG 80 12.655 -11.254 5.394 595 HH11 ARG 80 2HH1 ARG 80 12.446 -8.498 3.278 596 HH12 ARG 80 1HH1 ARG 80 13.742 -9.022 2.254 597 HH21 ARG 80 1HH2 ARG 80 14.830 -10.988 2.695 598 HH22 ARG 80 2HH2 ARG 80 14.362 -11.955 4.053 599 H LEU 81 H LEU 81 9.965 -10.000 9.315 600 HA LEU 81 HA LEU 81 10.878 -9.271 11.982 601 HB2 LEU 81 1HB LEU 81 9.010 -11.390 10.950 602 HB3 LEU 81 2HB LEU 81 9.503 -11.292 12.639 603 HG LEU 81 HG LEU 81 8.581 -8.821 12.387 604 HD11 LEU 81 1HD1 LEU 81 6.745 -8.619 10.904 605 HD12 LEU 81 2HD1 LEU 81 6.829 -10.322 10.455 606 HD13 LEU 81 3HD1 LEU 81 8.103 -9.213 9.948 607 HD21 LEU 81 3HD2 LEU 81 6.220 -10.132 12.798 608 HD22 LEU 81 1HD2 LEU 81 7.451 -9.841 14.027 609 HD23 LEU 81 2HD2 LEU 81 7.408 -11.383 13.171 610 H GLN 82 H GLN 82 11.124 -12.010 9.733 611 HA GLN 82 HA GLN 82 13.646 -12.752 11.027 612 HB2 GLN 82 1HB GLN 82 13.037 -15.140 10.920 613 HB3 GLN 82 2HB GLN 82 11.983 -14.232 11.996 614 HG2 GLN 82 1HG GLN 82 11.245 -14.830 9.150 615 HG3 GLN 82 2HG GLN 82 10.888 -15.933 10.477 616 HE21 GLN 82 2HE2 GLN 82 8.589 -13.606 12.021 617 HE22 GLN 82 1HE2 GLN 82 9.935 -14.603 12.444 618 H THR 83 H THR 83 15.037 -14.075 9.688 619 HA THR 83 HA THR 83 14.354 -14.152 6.842 620 HB THR 83 HB THR 83 16.537 -13.205 6.204 621 HG1 THR 83 1HG THR 83 17.502 -11.941 8.110 622 HG21 THR 83 3HG2 THR 83 15.102 -11.283 8.028 623 HG22 THR 83 1HG2 THR 83 14.458 -11.790 6.467 624 HG23 THR 83 2HG2 THR 83 15.989 -10.918 6.549 625 H GLU 84 H GLU 84 15.369 -15.768 5.682 626 HA GLU 84 HA GLU 84 16.392 -17.958 7.225 627 HB2 GLU 84 1HB GLU 84 14.985 -18.468 5.352 628 HB3 GLU 84 2HB GLU 84 16.013 -17.553 4.258 629 HG2 GLU 84 1HG GLU 84 17.024 -19.953 5.742 630 HG3 GLU 84 2HG GLU 84 16.182 -20.091 4.199 631 H ASN 85 H ASN 85 18.447 -18.801 7.264 632 HA ASN 85 HA ASN 85 20.550 -17.142 6.035 633 HB2 ASN 85 1HB ASN 85 20.334 -17.021 8.571 634 HB3 ASN 85 2HB ASN 85 20.868 -18.699 8.601 635 HD21 ASN 85 2HD2 ASN 85 23.687 -16.191 8.943 636 HD22 ASN 85 1HD2 ASN 85 22.113 -16.252 9.652 637 H SER 86 H SER 86 20.040 -20.381 7.445 638 HA SER 86 HA SER 86 20.966 -21.684 5.070 639 HB2 SER 86 1HB SER 86 23.079 -20.875 6.325 640 HB3 SER 86 2HB SER 86 22.698 -22.145 7.489 641 HG SER 86 HG SER 86 22.548 -23.450 5.370 642 H GLY 87 H GLY 87 20.390 -23.830 5.011 643 HA2 GLY 87 1HA GLY 87 19.842 -25.433 7.262 644 HA3 GLY 87 2HA GLY 87 18.342 -24.701 6.710 645 HA PRO 88 HA PRO 88 19.019 -28.679 4.398 646 HB2 PRO 88 2HB PRO 88 17.867 -29.900 5.966 647 HB3 PRO 88 1HB PRO 88 16.524 -29.649 4.845 648 HG2 PRO 88 1HG PRO 88 15.648 -27.895 6.088 649 HG3 PRO 88 2HG PRO 88 16.336 -28.883 7.390 650 HD2 PRO 88 1HD PRO 88 16.994 -26.281 7.033 651 HD3 PRO 88 2HD PRO 88 18.138 -27.476 7.676 652 H SER 89 H SER 89 19.031 -27.890 2.345 653 HA SER 89 HA SER 89 16.443 -27.040 1.219 654 HB2 SER 89 1HB SER 89 19.241 -26.080 0.658 655 HB3 SER 89 2HB SER 89 17.947 -25.859 -0.520 656 HG SER 89 HG SER 89 17.660 -25.046 2.169 657 H SER 90 H SER 90 15.810 -27.871 -0.748 658 HA SER 90 HA SER 90 17.384 -30.169 -1.703 659 HB2 SER 90 1HB SER 90 15.089 -30.633 -0.775 660 HB3 SER 90 2HB SER 90 14.425 -29.694 -2.112 661 HG SER 90 HG SER 90 14.442 -31.633 -2.995 662 H GLY 91 H GLY 91 18.637 -29.337 -3.299 663 HA2 GLY 91 1HA GLY 91 17.204 -28.229 -5.618 664 HA3 GLY 91 2HA GLY 91 18.610 -27.383 -4.989 Start of MODEL 12 1 H1 GLY 1 H GLY 1 16.798 11.740 -7.844 2 HA2 GLY 1 1HA GLY 1 18.730 12.731 -7.077 3 HA3 GLY 1 2HA GLY 1 17.775 13.480 -5.807 4 H SER 2 H SER 2 18.415 12.955 -3.838 5 HA SER 2 HA SER 2 19.842 10.426 -3.438 6 HB2 SER 2 1HB SER 2 21.055 12.384 -2.688 7 HB3 SER 2 2HB SER 2 19.676 12.919 -1.728 8 HG SER 2 HG SER 2 20.581 11.811 -0.193 9 H SER 3 H SER 3 18.305 8.889 -3.133 10 HA SER 3 HA SER 3 15.851 9.127 -1.897 11 HB2 SER 3 1HB SER 3 17.720 6.756 -2.042 12 HB3 SER 3 2HB SER 3 16.067 6.649 -1.438 13 HG SER 3 HG SER 3 15.710 7.825 -3.643 14 H GLY 4 H GLY 4 18.781 7.779 -0.358 15 HA2 GLY 4 1HA GLY 4 18.824 9.230 1.953 16 HA3 GLY 4 2HA GLY 4 17.617 7.990 2.262 17 H SER 5 H SER 5 18.456 6.437 3.473 18 HA SER 5 HA SER 5 21.291 5.833 3.344 19 HB2 SER 5 1HB SER 5 19.077 4.760 5.107 20 HB3 SER 5 2HB SER 5 20.770 4.284 5.240 21 HG SER 5 HG SER 5 20.969 6.793 5.323 22 H SER 6 H SER 6 22.069 3.621 3.147 23 HA SER 6 HA SER 6 21.289 2.364 0.819 24 HB2 SER 6 1HB SER 6 22.748 0.581 1.413 25 HB3 SER 6 2HB SER 6 23.442 2.030 2.140 26 HG SER 6 HG SER 6 22.182 -0.152 3.353 27 H GLY 7 H GLY 7 19.652 1.087 0.252 28 HA2 GLY 7 1HA GLY 7 18.413 -0.991 0.948 29 HA3 GLY 7 2HA GLY 7 18.028 -0.103 2.415 30 H MET 8 H MET 8 15.836 -0.861 1.511 31 HA MET 8 HA MET 8 14.799 1.177 -0.345 32 HB2 MET 8 1HB MET 8 14.617 -1.179 -1.123 33 HB3 MET 8 2HB MET 8 13.620 -1.535 0.281 34 HG2 MET 8 1HG MET 8 12.209 0.491 -0.677 35 HG3 MET 8 2HG MET 8 12.967 -0.026 -2.181 36 HE1 MET 8 3HE MET 8 9.406 -0.503 -1.686 37 HE2 MET 8 1HE MET 8 9.361 -1.494 -0.228 38 HE3 MET 8 2HE MET 8 10.230 0.040 -0.224 39 H GLU 9 H GLU 9 13.514 2.672 0.497 40 HA GLU 9 HA GLU 9 12.813 2.807 3.189 41 HB2 GLU 9 1HB GLU 9 12.873 4.794 1.815 42 HB3 GLU 9 2HB GLU 9 11.580 4.177 0.795 43 HG2 GLU 9 1HG GLU 9 10.017 4.324 2.642 44 HG3 GLU 9 2HG GLU 9 11.307 4.876 3.710 45 HA PRO 10 HA PRO 10 9.420 -0.016 3.454 46 HB2 PRO 10 2HB PRO 10 9.967 -0.208 5.677 47 HB3 PRO 10 1HB PRO 10 8.507 0.767 5.888 48 HG2 PRO 10 1HG PRO 10 9.706 2.740 6.131 49 HG3 PRO 10 2HG PRO 10 10.848 1.593 6.855 50 HD2 PRO 10 1HD PRO 10 11.528 3.228 4.807 51 HD3 PRO 10 2HD PRO 10 12.230 1.611 5.011 52 H VAL 11 H VAL 11 7.127 -0.021 3.451 53 HA VAL 11 HA VAL 11 5.961 2.310 2.265 54 HB VAL 11 HB VAL 11 4.597 -0.227 3.177 55 HG11 VAL 11 1HG1 VAL 11 3.682 2.211 1.805 56 HG12 VAL 11 2HG1 VAL 11 3.149 0.688 1.090 57 HG13 VAL 11 3HG1 VAL 11 2.782 1.047 2.777 58 HG21 VAL 11 3HG2 VAL 11 4.724 -0.766 0.697 59 HG22 VAL 11 1HG2 VAL 11 5.929 0.518 0.587 60 HG23 VAL 11 2HG2 VAL 11 6.229 -0.888 1.609 61 H GLU 12 H GLU 12 5.845 0.768 5.420 62 HA GLU 12 HA GLU 12 3.656 2.129 6.503 63 HB2 GLU 12 1HB GLU 12 4.293 1.261 8.541 64 HB3 GLU 12 2HB GLU 12 5.119 0.166 7.442 65 HG2 GLU 12 1HG GLU 12 7.143 1.668 7.695 66 HG3 GLU 12 2HG GLU 12 6.283 2.427 9.033 67 H THR 13 H THR 13 6.612 3.346 5.478 68 HA THR 13 HA THR 13 6.415 5.690 7.246 69 HB THR 13 HB THR 13 8.718 6.223 6.567 70 HG1 THR 13 1HG THR 13 8.857 5.295 4.542 71 HG21 THR 13 3HG2 THR 13 8.538 4.935 8.556 72 HG22 THR 13 1HG2 THR 13 9.828 4.201 7.603 73 HG23 THR 13 2HG2 THR 13 8.231 3.454 7.650 74 H TRP 14 H TRP 14 6.021 4.604 4.018 75 HA TRP 14 HA TRP 14 6.535 6.854 2.499 76 HB2 TRP 14 1HB TRP 14 4.409 4.732 2.211 77 HB3 TRP 14 2HB TRP 14 4.664 5.989 1.004 78 HD1 TRP 14 HD TRP 14 7.958 5.092 2.318 79 HE1 TRP 14 1HE TRP 14 9.162 3.442 0.752 80 HE3 TRP 14 3HE TRP 14 3.996 3.703 -0.600 81 HZ2 TRP 14 2HZ TRP 14 8.518 1.773 -1.431 82 HZ3 TRP 14 3HZ TRP 14 4.375 2.076 -2.406 83 HH2 TRP 14 HH TRP 14 6.590 1.132 -2.812 84 H THR 15 H THR 15 4.881 8.301 1.460 85 HA THR 15 HA THR 15 3.176 9.430 3.562 86 HB THR 15 HB THR 15 3.059 11.350 1.747 87 HG1 THR 15 1HG THR 15 5.658 10.419 1.186 88 HG21 THR 15 3HG2 THR 15 5.719 11.446 2.904 89 HG22 THR 15 1HG2 THR 15 4.510 10.913 4.072 90 HG23 THR 15 2HG2 THR 15 4.310 12.453 3.236 91 HA PRO 16 HA PRO 16 -0.605 8.437 1.569 92 HB2 PRO 16 2HB PRO 16 -1.680 9.512 3.292 93 HB3 PRO 16 1HB PRO 16 -2.090 10.665 2.017 94 HG2 PRO 16 1HG PRO 16 -0.400 12.135 2.628 95 HG3 PRO 16 2HG PRO 16 -0.813 11.462 4.215 96 HD2 PRO 16 1HD PRO 16 1.703 11.397 3.215 97 HD3 PRO 16 2HD PRO 16 1.064 10.126 4.277 98 H GLY 17 H GLY 17 1.490 10.623 0.273 99 HA2 GLY 17 1HA GLY 17 -0.323 11.419 -1.904 100 HA3 GLY 17 2HA GLY 17 1.222 12.172 -1.539 101 H LYS 18 H LYS 18 2.252 9.282 -1.179 102 HA LYS 18 HA LYS 18 2.990 8.961 -3.986 103 HB2 LYS 18 1HB LYS 18 4.093 7.454 -1.616 104 HB3 LYS 18 2HB LYS 18 4.808 7.610 -3.215 105 HG2 LYS 18 1HG LYS 18 5.412 9.845 -2.849 106 HG3 LYS 18 2HG LYS 18 4.352 9.989 -1.445 107 HD2 LYS 18 1HD LYS 18 6.619 9.821 -0.673 108 HD3 LYS 18 2HD LYS 18 5.782 8.319 -0.274 109 HE2 LYS 18 1HE LYS 18 7.877 7.662 -1.122 110 HE3 LYS 18 2HE LYS 18 6.734 7.389 -2.437 111 HZ1 LYS 18 3HZ LYS 18 7.461 9.809 -3.072 112 HZ2 LYS 18 1HZ LYS 18 8.387 8.473 -3.540 113 HZ3 LYS 18 2HZ LYS 18 8.852 9.398 -2.202 114 H VAL 19 H VAL 19 1.303 7.304 -1.405 115 HA VAL 19 HA VAL 19 1.140 4.726 -2.323 116 HB VAL 19 HB VAL 19 -1.037 6.370 -1.029 117 HG11 VAL 19 1HG1 VAL 19 -0.871 3.377 -1.370 118 HG12 VAL 19 2HG1 VAL 19 -2.098 4.249 -0.448 119 HG13 VAL 19 3HG1 VAL 19 -1.998 4.451 -2.198 120 HG21 VAL 19 3HG2 VAL 19 -0.249 4.757 0.904 121 HG22 VAL 19 1HG2 VAL 19 1.244 4.740 -0.034 122 HG23 VAL 19 2HG2 VAL 19 0.599 6.267 0.569 123 H ALA 20 H ALA 20 -0.598 7.552 -3.486 124 HA ALA 20 HA ALA 20 -2.530 6.325 -5.065 125 HB1 ALA 20 3HB ALA 20 -3.030 8.479 -5.278 126 HB2 ALA 20 1HB ALA 20 -1.406 8.962 -4.786 127 HB3 ALA 20 2HB ALA 20 -1.744 8.598 -6.479 128 H THR 21 H THR 21 0.882 6.816 -5.640 129 HA THR 21 HA THR 21 0.764 6.138 -8.432 130 HB THR 21 HB THR 21 3.123 6.357 -6.553 131 HG1 THR 21 1HG THR 21 1.694 8.251 -7.390 132 HG21 THR 21 3HG2 THR 21 2.950 5.213 -9.167 133 HG22 THR 21 1HG2 THR 21 4.369 5.419 -8.143 134 HG23 THR 21 2HG2 THR 21 3.888 6.704 -9.252 135 H TRP 22 H TRP 22 1.398 4.453 -5.422 136 HA TRP 22 HA TRP 22 2.296 2.042 -6.718 137 HB2 TRP 22 1HB TRP 22 3.135 2.627 -4.495 138 HB3 TRP 22 2HB TRP 22 1.499 2.563 -3.845 139 HD1 TRP 22 HD TRP 22 4.430 0.359 -4.774 140 HE1 TRP 22 1HE TRP 22 3.927 -2.064 -4.066 141 HE3 TRP 22 3HE TRP 22 -0.509 0.876 -3.560 142 HZ2 TRP 22 2HZ TRP 22 1.728 -3.559 -3.120 143 HZ3 TRP 22 3HZ TRP 22 -1.741 -1.099 -2.762 144 HH2 TRP 22 HH TRP 22 -0.644 -3.270 -2.547 145 H LEU 23 H LEU 23 -0.720 3.420 -5.846 146 HA LEU 23 HA LEU 23 -2.124 0.874 -5.840 147 HB2 LEU 23 1HB LEU 23 -2.835 3.704 -5.267 148 HB3 LEU 23 2HB LEU 23 -4.122 2.605 -5.756 149 HG LEU 23 HG LEU 23 -2.296 2.054 -3.426 150 HD11 LEU 23 1HD1 LEU 23 -3.818 4.209 -3.395 151 HD12 LEU 23 2HD1 LEU 23 -3.668 3.164 -1.983 152 HD13 LEU 23 3HD1 LEU 23 -5.076 3.026 -3.036 153 HD21 LEU 23 3HD2 LEU 23 -4.640 0.751 -4.665 154 HD22 LEU 23 1HD2 LEU 23 -4.607 0.799 -2.902 155 HD23 LEU 23 2HD2 LEU 23 -3.278 0.050 -3.789 156 H ARG 24 H ARG 24 -1.864 3.777 -7.846 157 HA ARG 24 HA ARG 24 -3.770 2.973 -9.783 158 HB2 ARG 24 1HB ARG 24 -2.912 4.778 -11.135 159 HB3 ARG 24 2HB ARG 24 -3.000 5.313 -9.463 160 HG2 ARG 24 1HG ARG 24 -0.943 6.106 -9.986 161 HG3 ARG 24 2HG ARG 24 -0.484 4.487 -9.454 162 HD2 ARG 24 1HD ARG 24 -0.747 3.802 -11.900 163 HD3 ARG 24 2HD ARG 24 -0.771 5.528 -12.257 164 HE ARG 24 HE ARG 24 1.510 3.949 -11.625 165 HH11 ARG 24 2HH1 ARG 24 0.140 7.131 -11.280 166 HH12 ARG 24 1HH1 ARG 24 1.677 7.921 -11.157 167 HH21 ARG 24 1HH2 ARG 24 3.610 6.696 -11.263 168 HH22 ARG 24 2HH2 ARG 24 3.539 4.978 -11.465 169 H GLY 25 H GLY 25 -0.356 2.350 -9.353 170 HA2 GLY 25 1HA GLY 25 0.081 1.339 -11.999 171 HA3 GLY 25 2HA GLY 25 1.165 1.169 -10.626 172 H LEU 26 H LEU 26 -0.763 -0.094 -8.896 173 HA LEU 26 HA LEU 26 -0.256 -2.719 -9.164 174 HB2 LEU 26 1HB LEU 26 -2.568 -1.235 -8.047 175 HB3 LEU 26 2HB LEU 26 -2.737 -2.979 -8.230 176 HG LEU 26 HG LEU 26 -0.340 -1.914 -6.815 177 HD11 LEU 26 1HD1 LEU 26 -3.020 -1.326 -6.020 178 HD12 LEU 26 2HD1 LEU 26 -1.505 -0.922 -5.214 179 HD13 LEU 26 3HD1 LEU 26 -2.302 -2.457 -4.873 180 HD21 LEU 26 3HD2 LEU 26 -2.038 -4.282 -6.113 181 HD22 LEU 26 1HD2 LEU 26 -0.333 -3.991 -5.764 182 HD23 LEU 26 2HD2 LEU 26 -0.845 -4.364 -7.411 183 H ASP 27 H ASP 27 -3.010 -1.064 -10.682 184 HA ASP 27 HA ASP 27 -2.931 -2.636 -13.014 185 HB2 ASP 27 1HB ASP 27 -4.700 -3.588 -10.814 186 HB3 ASP 27 2HB ASP 27 -5.336 -3.644 -12.456 187 H ASP 28 H ASP 28 -4.861 -2.247 -14.421 188 HA ASP 28 HA ASP 28 -5.596 0.529 -14.249 189 HB2 ASP 28 1HB ASP 28 -6.346 -1.616 -16.246 190 HB3 ASP 28 2HB ASP 28 -6.760 0.089 -16.407 191 H SER 29 H SER 29 -7.205 -2.574 -13.845 192 HA SER 29 HA SER 29 -9.856 -1.775 -13.813 193 HB2 SER 29 1HB SER 29 -8.412 -3.951 -12.303 194 HB3 SER 29 2HB SER 29 -10.157 -3.728 -12.181 195 HG SER 29 HG SER 29 -10.316 -4.078 -14.401 196 H LEU 30 H LEU 30 -7.371 -0.938 -11.658 197 HA LEU 30 HA LEU 30 -9.313 -0.079 -9.620 198 HB2 LEU 30 1HB LEU 30 -6.346 -0.197 -9.214 199 HB3 LEU 30 2HB LEU 30 -7.625 -0.185 -8.002 200 HG LEU 30 HG LEU 30 -7.197 -2.501 -9.875 201 HD11 LEU 30 1HD1 LEU 30 -5.130 -2.245 -8.691 202 HD12 LEU 30 2HD1 LEU 30 -6.024 -3.582 -7.968 203 HD13 LEU 30 3HD1 LEU 30 -5.979 -2.014 -7.162 204 HD21 LEU 30 3HD2 LEU 30 -8.765 -2.023 -7.363 205 HD22 LEU 30 1HD2 LEU 30 -8.310 -3.651 -7.868 206 HD23 LEU 30 2HD2 LEU 30 -9.318 -2.652 -8.916 207 H GLN 31 H GLN 31 -7.130 0.995 -12.015 208 HA GLN 31 HA GLN 31 -6.284 3.458 -11.075 209 HB2 GLN 31 1HB GLN 31 -6.819 2.325 -13.775 210 HB3 GLN 31 2HB GLN 31 -6.599 4.066 -13.650 211 HG2 GLN 31 1HG GLN 31 -4.604 2.311 -12.331 212 HG3 GLN 31 2HG GLN 31 -4.582 2.427 -14.090 213 HE21 GLN 31 2HE2 GLN 31 -2.302 5.022 -13.262 214 HE22 GLN 31 1HE2 GLN 31 -2.416 3.321 -13.540 215 H ASP 32 H ASP 32 -9.447 2.420 -11.735 216 HA ASP 32 HA ASP 32 -10.605 4.919 -12.457 217 HB2 ASP 32 1HB ASP 32 -11.642 2.681 -12.897 218 HB3 ASP 32 2HB ASP 32 -11.976 2.550 -11.172 219 H TYR 33 H TYR 33 -10.566 3.086 -9.402 220 HA TYR 33 HA TYR 33 -11.953 4.829 -7.794 221 HB2 TYR 33 1HB TYR 33 -9.554 3.128 -7.091 222 HB3 TYR 33 2HB TYR 33 -10.589 3.915 -5.905 223 HD1 TYR 33 2HD TYR 33 -13.070 3.287 -5.895 224 HD2 TYR 33 1HD TYR 33 -10.108 1.018 -7.940 225 HE1 TYR 33 2HE TYR 33 -14.583 1.348 -5.924 226 HE2 TYR 33 1HE TYR 33 -11.613 -0.927 -7.976 227 HH TYR 33 HH TYR 33 -13.552 -1.777 -6.699 228 HA PRO 34 HA PRO 34 -9.483 8.498 -7.747 229 HB2 PRO 34 2HB PRO 34 -11.442 9.613 -7.302 230 HB3 PRO 34 1HB PRO 34 -10.744 9.732 -5.683 231 HG2 PRO 34 1HG PRO 34 -11.992 7.949 -4.875 232 HG3 PRO 34 2HG PRO 34 -13.134 8.615 -6.056 233 HD2 PRO 34 1HD PRO 34 -12.321 6.033 -6.113 234 HD3 PRO 34 2HD PRO 34 -12.726 6.939 -7.585 235 H PHE 35 H PHE 35 -7.584 7.272 -7.025 236 HA PHE 35 HA PHE 35 -7.088 6.772 -4.277 237 HB2 PHE 35 1HB PHE 35 -5.120 7.101 -6.552 238 HB3 PHE 35 2HB PHE 35 -4.758 6.405 -4.975 239 HD1 PHE 35 2HD PHE 35 -6.546 4.468 -4.319 240 HD2 PHE 35 1HD PHE 35 -5.392 5.606 -8.255 241 HE1 PHE 35 2HE PHE 35 -7.200 2.247 -5.150 242 HE2 PHE 35 1HE PHE 35 -6.045 3.387 -9.092 243 HZ PHE 35 HZ PHE 35 -6.949 1.703 -7.539 244 H GLU 36 H GLU 36 -6.220 9.424 -6.455 245 HA GLU 36 HA GLU 36 -4.550 10.859 -4.756 246 HB2 GLU 36 1HB GLU 36 -5.324 11.233 -7.271 247 HB3 GLU 36 2HB GLU 36 -6.439 12.359 -6.508 248 HG2 GLU 36 1HG GLU 36 -4.303 13.257 -5.331 249 HG3 GLU 36 2HG GLU 36 -3.462 12.449 -6.653 250 H ASP 37 H ASP 37 -7.911 10.303 -4.539 251 HA ASP 37 HA ASP 37 -8.360 12.601 -2.793 252 HB2 ASP 37 1HB ASP 37 -10.231 10.505 -3.907 253 HB3 ASP 37 2HB ASP 37 -10.734 11.764 -2.783 254 H TRP 38 H TRP 38 -7.871 9.171 -2.673 255 HA TRP 38 HA TRP 38 -8.982 8.547 -0.197 256 HB2 TRP 38 1HB TRP 38 -6.623 7.420 -1.695 257 HB3 TRP 38 2HB TRP 38 -7.128 6.768 -0.139 258 HD1 TRP 38 HD TRP 38 -9.858 7.900 -2.515 259 HE1 TRP 38 1HE TRP 38 -11.105 5.834 -3.411 260 HE3 TRP 38 3HE TRP 38 -6.759 4.245 -0.734 261 HZ2 TRP 38 2HZ TRP 38 -10.814 3.027 -3.367 262 HZ3 TRP 38 3HZ TRP 38 -7.314 1.895 -1.204 263 HH2 TRP 38 HH TRP 38 -9.301 1.300 -2.493 264 H GLN 39 H GLN 39 -5.851 9.961 -0.997 265 HA GLN 39 HA GLN 39 -4.156 10.769 0.309 266 HB2 GLN 39 1HB GLN 39 -6.609 11.705 1.798 267 HB3 GLN 39 2HB GLN 39 -4.983 12.258 2.175 268 HG2 GLN 39 1HG GLN 39 -4.763 13.377 0.138 269 HG3 GLN 39 2HG GLN 39 -6.119 12.512 -0.584 270 HE21 GLN 39 2HE2 GLN 39 -7.055 16.010 0.395 271 HE22 GLN 39 1HE2 GLN 39 -5.732 15.341 -0.494 272 H LEU 40 H LEU 40 -4.808 8.046 0.851 273 HA LEU 40 HA LEU 40 -4.721 7.730 3.733 274 HB2 LEU 40 1HB LEU 40 -6.034 6.151 2.495 275 HB3 LEU 40 2HB LEU 40 -4.664 5.755 1.460 276 HG LEU 40 HG LEU 40 -3.594 4.998 3.753 277 HD11 LEU 40 1HD1 LEU 40 -5.885 3.815 4.742 278 HD12 LEU 40 2HD1 LEU 40 -6.378 5.475 4.409 279 HD13 LEU 40 3HD1 LEU 40 -5.003 5.159 5.467 280 HD21 LEU 40 3HD2 LEU 40 -3.797 2.941 2.896 281 HD22 LEU 40 1HD2 LEU 40 -4.642 3.736 1.568 282 HD23 LEU 40 2HD2 LEU 40 -5.559 3.012 2.890 283 HA PRO 41 HA PRO 41 -0.276 7.903 3.786 284 HB2 PRO 41 2HB PRO 41 -0.498 8.911 5.839 285 HB3 PRO 41 1HB PRO 41 0.001 7.319 6.423 286 HG2 PRO 41 1HG PRO 41 -2.176 6.672 6.903 287 HG3 PRO 41 2HG PRO 41 -2.291 8.411 7.233 288 HD2 PRO 41 1HD PRO 41 -3.929 7.149 5.485 289 HD3 PRO 41 2HD PRO 41 -3.422 8.837 5.271 290 H GLY 42 H GLY 42 1.470 6.455 3.991 291 HA2 GLY 42 1HA GLY 42 1.033 3.823 3.232 292 HA3 GLY 42 2HA GLY 42 2.527 4.417 3.943 293 H LYS 43 H LYS 43 1.995 4.962 6.473 294 HA LYS 43 HA LYS 43 2.104 2.631 7.849 295 HB2 LYS 43 1HB LYS 43 1.375 3.868 9.847 296 HB3 LYS 43 2HB LYS 43 2.526 4.793 8.892 297 HG2 LYS 43 1HG LYS 43 0.874 6.258 8.112 298 HG3 LYS 43 2HG LYS 43 -0.434 5.182 8.608 299 HD2 LYS 43 1HD LYS 43 -0.097 5.667 10.894 300 HD3 LYS 43 2HD LYS 43 1.466 6.424 10.582 301 HE2 LYS 43 1HE LYS 43 0.494 8.340 9.683 302 HE3 LYS 43 2HE LYS 43 -1.042 7.531 9.375 303 HZ1 LYS 43 3HZ LYS 43 -1.752 8.336 11.296 304 HZ2 LYS 43 1HZ LYS 43 -0.230 8.978 11.660 305 HZ3 LYS 43 2HZ LYS 43 -0.607 7.391 12.107 306 H ASN 44 H ASN 44 -0.743 4.122 6.536 307 HA ASN 44 HA ASN 44 -2.527 2.337 7.987 308 HB2 ASN 44 1HB ASN 44 -2.934 4.660 6.125 309 HB3 ASN 44 2HB ASN 44 -4.264 3.563 6.488 310 HD21 ASN 44 2HD2 ASN 44 -4.447 6.370 8.845 311 HD22 ASN 44 1HD2 ASN 44 -4.538 6.152 7.134 312 H LEU 45 H LEU 45 -1.199 2.789 4.776 313 HA LEU 45 HA LEU 45 -2.820 1.223 3.217 314 HB2 LEU 45 1HB LEU 45 -0.845 2.500 2.440 315 HB3 LEU 45 2HB LEU 45 0.194 1.253 3.127 316 HG LEU 45 HG LEU 45 -0.926 -0.374 1.548 317 HD11 LEU 45 1HD1 LEU 45 -2.803 1.439 1.163 318 HD12 LEU 45 2HD1 LEU 45 -2.339 0.307 -0.107 319 HD13 LEU 45 3HD1 LEU 45 -1.711 1.955 -0.122 320 HD21 LEU 45 3HD2 LEU 45 0.291 0.772 -0.490 321 HD22 LEU 45 1HD2 LEU 45 1.201 0.126 0.876 322 HD23 LEU 45 2HD2 LEU 45 0.883 1.857 0.770 323 H LEU 46 H LEU 46 0.045 0.067 5.003 324 HA LEU 46 HA LEU 46 -0.437 -2.670 4.468 325 HB2 LEU 46 1HB LEU 46 1.250 -1.213 6.475 326 HB3 LEU 46 2HB LEU 46 1.129 -2.972 6.483 327 HG LEU 46 HG LEU 46 2.113 -3.094 4.283 328 HD11 LEU 46 1HD1 LEU 46 2.830 -1.155 3.057 329 HD12 LEU 46 2HD1 LEU 46 2.278 -0.086 4.346 330 HD13 LEU 46 3HD1 LEU 46 1.107 -1.010 3.405 331 HD21 LEU 46 3HD2 LEU 46 3.594 -2.940 6.261 332 HD22 LEU 46 1HD2 LEU 46 3.710 -1.200 6.002 333 HD23 LEU 46 2HD2 LEU 46 4.336 -2.315 4.788 334 H GLN 47 H GLN 47 -1.906 -0.483 6.606 335 HA GLN 47 HA GLN 47 -2.758 -2.529 8.491 336 HB2 GLN 47 1HB GLN 47 -3.170 0.450 8.338 337 HB3 GLN 47 2HB GLN 47 -4.028 -0.550 9.502 338 HG2 GLN 47 1HG GLN 47 -1.068 -0.766 9.354 339 HG3 GLN 47 2HG GLN 47 -1.780 0.654 10.119 340 HE21 GLN 47 2HE2 GLN 47 -1.474 -2.751 12.133 341 HE22 GLN 47 1HE2 GLN 47 -0.685 -2.416 10.633 342 H LEU 48 H LEU 48 -3.912 -0.878 5.688 343 HA LEU 48 HA LEU 48 -6.614 -0.867 5.857 344 HB2 LEU 48 1HB LEU 48 -4.738 -1.498 3.641 345 HB3 LEU 48 2HB LEU 48 -6.454 -1.799 3.382 346 HG LEU 48 HG LEU 48 -5.248 0.865 4.126 347 HD11 LEU 48 1HD1 LEU 48 -6.331 1.185 1.671 348 HD12 LEU 48 2HD1 LEU 48 -5.731 -0.469 1.553 349 HD13 LEU 48 3HD1 LEU 48 -4.627 0.842 1.968 350 HD21 LEU 48 3HD2 LEU 48 -7.842 1.037 2.981 351 HD22 LEU 48 1HD2 LEU 48 -7.315 1.517 4.594 352 HD23 LEU 48 2HD2 LEU 48 -7.901 -0.122 4.309 353 H CYS 49 H CYS 49 -8.293 -2.357 5.212 354 HA CYS 49 HA CYS 49 -7.586 -5.194 5.445 355 HB2 CYS 49 1HB CYS 49 -9.367 -3.619 7.233 356 HB3 CYS 49 2HB CYS 49 -9.890 -5.243 6.804 357 HG CYS 49 HG CYS 49 -7.533 -4.270 8.935 358 HA PRO 50 HA PRO 50 -10.438 -5.902 2.191 359 HB2 PRO 50 2HB PRO 50 -9.919 -8.135 2.340 360 HB3 PRO 50 1HB PRO 50 -11.590 -8.254 2.905 361 HG2 PRO 50 1HG PRO 50 -10.964 -8.325 5.139 362 HG3 PRO 50 2HG PRO 50 -9.578 -9.152 4.404 363 HD2 PRO 50 1HD PRO 50 -9.302 -6.968 5.982 364 HD3 PRO 50 2HD PRO 50 -8.201 -7.317 4.633 365 H GLN 51 H GLN 51 -11.688 -5.907 5.456 366 HA GLN 51 HA GLN 51 -14.443 -5.685 4.562 367 HB2 GLN 51 1HB GLN 51 -13.076 -5.999 7.192 368 HB3 GLN 51 2HB GLN 51 -14.678 -5.274 7.175 369 HG2 GLN 51 1HG GLN 51 -15.388 -7.312 5.809 370 HG3 GLN 51 2HG GLN 51 -13.860 -8.026 6.323 371 HE21 GLN 51 2HE2 GLN 51 -14.830 -8.462 9.682 372 HE22 GLN 51 1HE2 GLN 51 -13.488 -8.234 8.619 373 H SER 52 H SER 52 -11.859 -3.655 5.724 374 HA SER 52 HA SER 52 -13.539 -1.372 6.216 375 HB2 SER 52 1HB SER 52 -10.527 -1.527 5.943 376 HB3 SER 52 2HB SER 52 -11.442 -0.169 6.597 377 HG SER 52 HG SER 52 -12.284 -2.053 8.040 378 H LEU 53 H LEU 53 -11.414 -2.478 3.628 379 HA LEU 53 HA LEU 53 -11.200 -0.271 2.038 380 HB2 LEU 53 1HB LEU 53 -11.411 -3.179 1.489 381 HB3 LEU 53 2HB LEU 53 -11.557 -2.079 0.120 382 HG LEU 53 HG LEU 53 -9.222 -1.801 1.958 383 HD11 LEU 53 1HD1 LEU 53 -7.970 -3.456 0.745 384 HD12 LEU 53 2HD1 LEU 53 -9.357 -3.811 -0.284 385 HD13 LEU 53 3HD1 LEU 53 -9.406 -4.215 1.432 386 HD21 LEU 53 3HD2 LEU 53 -8.815 -1.649 -0.911 387 HD22 LEU 53 1HD2 LEU 53 -8.454 -0.467 0.348 388 HD23 LEU 53 2HD2 LEU 53 -10.071 -0.541 -0.354 389 H GLU 54 H GLU 54 -14.025 -2.289 2.516 390 HA GLU 54 HA GLU 54 -15.619 -1.528 0.395 391 HB2 GLU 54 1HB GLU 54 -16.524 -1.972 3.246 392 HB3 GLU 54 2HB GLU 54 -17.538 -2.061 1.812 393 HG2 GLU 54 1HG GLU 54 -16.142 -3.944 1.005 394 HG3 GLU 54 2HG GLU 54 -15.266 -3.896 2.534 395 H ALA 55 H ALA 55 -14.970 0.186 3.405 396 HA ALA 55 HA ALA 55 -16.889 2.196 3.218 397 HB1 ALA 55 3HB ALA 55 -15.882 2.319 5.240 398 HB2 ALA 55 1HB ALA 55 -14.298 1.878 4.602 399 HB3 ALA 55 2HB ALA 55 -14.896 3.527 4.417 400 H LEU 56 H LEU 56 -13.798 1.844 1.606 401 HA LEU 56 HA LEU 56 -13.921 4.522 0.489 402 HB2 LEU 56 1HB LEU 56 -11.969 2.303 -0.096 403 HB3 LEU 56 2HB LEU 56 -11.796 4.001 -0.533 404 HG LEU 56 HG LEU 56 -11.781 2.899 2.277 405 HD11 LEU 56 1HD1 LEU 56 -9.590 3.773 0.416 406 HD12 LEU 56 2HD1 LEU 56 -9.761 2.238 1.266 407 HD13 LEU 56 3HD1 LEU 56 -9.381 3.706 2.166 408 HD21 LEU 56 3HD2 LEU 56 -11.226 5.690 1.278 409 HD22 LEU 56 1HD2 LEU 56 -11.162 5.137 2.951 410 HD23 LEU 56 2HD2 LEU 56 -12.703 5.178 2.095 411 H ALA 57 H ALA 57 -15.997 2.527 -0.151 412 HA ALA 57 HA ALA 57 -17.270 1.959 -1.952 413 HB1 ALA 57 3HB ALA 57 -16.053 3.062 -4.188 414 HB2 ALA 57 1HB ALA 57 -17.345 3.781 -3.226 415 HB3 ALA 57 2HB ALA 57 -15.661 4.177 -2.879 416 H VAL 58 H VAL 58 -14.837 0.443 -1.135 417 HA VAL 58 HA VAL 58 -14.347 -0.983 -3.669 418 HB VAL 58 HB VAL 58 -12.552 -0.840 -1.243 419 HG11 VAL 58 1HG1 VAL 58 -11.296 -1.864 -3.604 420 HG12 VAL 58 2HG1 VAL 58 -11.475 -2.620 -2.019 421 HG13 VAL 58 3HG1 VAL 58 -12.735 -2.815 -3.238 422 HG21 VAL 58 3HG2 VAL 58 -12.575 0.576 -3.869 423 HG22 VAL 58 1HG2 VAL 58 -12.222 1.198 -2.257 424 HG23 VAL 58 2HG2 VAL 58 -11.031 0.207 -3.099 425 H ARG 59 H ARG 59 -16.198 -2.299 -3.388 426 HA ARG 59 HA ARG 59 -16.104 -4.155 -1.111 427 HB2 ARG 59 1HB ARG 59 -18.366 -3.591 -3.038 428 HB3 ARG 59 2HB ARG 59 -18.440 -4.676 -1.656 429 HG2 ARG 59 1HG ARG 59 -18.101 -2.806 -0.143 430 HG3 ARG 59 2HG ARG 59 -17.969 -1.706 -1.517 431 HD2 ARG 59 1HD ARG 59 -20.392 -3.367 -0.836 432 HD3 ARG 59 2HD ARG 59 -20.199 -1.652 -0.474 433 HE ARG 59 HE ARG 59 -20.978 -2.783 -2.955 434 HH11 ARG 59 2HH1 ARG 59 -19.129 -0.179 -1.569 435 HH12 ARG 59 1HH1 ARG 59 -19.338 0.869 -2.932 436 HH21 ARG 59 1HH2 ARG 59 -20.550 0.166 -4.745 437 HH22 ARG 59 2HH2 ARG 59 -21.260 -1.413 -4.757 438 H SER 60 H SER 60 -16.552 -4.074 -4.634 439 HA SER 60 HA SER 60 -16.809 -6.688 -5.277 440 HB2 SER 60 1HB SER 60 -14.985 -4.708 -6.663 441 HB3 SER 60 2HB SER 60 -15.575 -6.212 -7.369 442 HG SER 60 HG SER 60 -17.510 -4.527 -6.329 443 H LEU 61 H LEU 61 -15.766 -8.470 -4.720 444 HA LEU 61 HA LEU 61 -13.406 -8.591 -3.278 445 HB2 LEU 61 1HB LEU 61 -15.253 -10.382 -3.866 446 HB3 LEU 61 2HB LEU 61 -14.088 -10.837 -5.108 447 HG LEU 61 HG LEU 61 -13.904 -12.228 -3.095 448 HD11 LEU 61 1HD1 LEU 61 -11.424 -11.699 -2.654 449 HD12 LEU 61 2HD1 LEU 61 -11.628 -10.447 -3.879 450 HD13 LEU 61 3HD1 LEU 61 -11.914 -12.138 -4.290 451 HD21 LEU 61 3HD2 LEU 61 -12.598 -10.350 -1.373 452 HD22 LEU 61 1HD2 LEU 61 -13.998 -11.374 -1.050 453 HD23 LEU 61 2HD2 LEU 61 -14.221 -9.774 -1.758 454 H GLY 62 H GLY 62 -13.760 -9.570 -6.697 455 HA2 GLY 62 1HA GLY 62 -11.237 -10.036 -7.457 456 HA3 GLY 62 2HA GLY 62 -12.338 -9.127 -8.482 457 H HIS 63 H HIS 63 -12.544 -6.803 -6.877 458 HA HIS 63 HA HIS 63 -10.185 -5.439 -7.723 459 HB2 HIS 63 1HB HIS 63 -12.682 -4.648 -6.265 460 HB3 HIS 63 2HB HIS 63 -11.316 -3.537 -6.321 461 HD1 HIS 63 1HD HIS 63 -14.195 -3.234 -7.748 462 HD2 HIS 63 2HD HIS 63 -10.583 -4.227 -9.545 463 HE1 HIS 63 1HE HIS 63 -14.450 -2.597 -10.168 464 HE2 HIS 63 2HE HIS 63 -12.283 -3.286 -11.252 465 H GLN 64 H GLN 64 -11.552 -6.215 -4.531 466 HA GLN 64 HA GLN 64 -9.575 -5.049 -2.960 467 HB2 GLN 64 1HB GLN 64 -11.420 -7.379 -2.513 468 HB3 GLN 64 2HB GLN 64 -10.253 -6.901 -1.287 469 HG2 GLN 64 1HG GLN 64 -11.246 -4.707 -1.140 470 HG3 GLN 64 2HG GLN 64 -12.359 -5.094 -2.451 471 HE21 GLN 64 2HE2 GLN 64 -14.640 -5.779 0.100 472 HE22 GLN 64 1HE2 GLN 64 -14.144 -4.683 -1.140 473 H GLU 65 H GLU 65 -9.743 -8.319 -4.320 474 HA GLU 65 HA GLU 65 -7.472 -9.395 -3.131 475 HB2 GLU 65 1HB GLU 65 -9.236 -10.551 -4.588 476 HB3 GLU 65 2HB GLU 65 -8.290 -10.002 -5.965 477 HG2 GLU 65 1HG GLU 65 -7.867 -12.357 -5.152 478 HG3 GLU 65 2HG GLU 65 -6.454 -11.329 -5.380 479 H LEU 66 H LEU 66 -7.773 -7.599 -6.179 480 HA LEU 66 HA LEU 66 -5.163 -7.774 -7.076 481 HB2 LEU 66 1HB LEU 66 -7.125 -5.501 -7.293 482 HB3 LEU 66 2HB LEU 66 -5.601 -5.566 -8.174 483 HG LEU 66 HG LEU 66 -7.625 -7.756 -8.463 484 HD11 LEU 66 1HD1 LEU 66 -9.085 -6.262 -9.258 485 HD12 LEU 66 2HD1 LEU 66 -8.013 -6.172 -10.655 486 HD13 LEU 66 3HD1 LEU 66 -7.872 -4.986 -9.358 487 HD21 LEU 66 3HD2 LEU 66 -6.141 -6.923 -10.797 488 HD22 LEU 66 1HD2 LEU 66 -6.234 -8.507 -10.026 489 HD23 LEU 66 2HD2 LEU 66 -5.064 -7.315 -9.456 490 H ILE 67 H ILE 67 -6.531 -5.056 -5.208 491 HA ILE 67 HA ILE 67 -4.076 -3.793 -4.713 492 HB ILE 67 HB ILE 67 -6.621 -3.678 -3.090 493 HG12 ILE 67 1HG1 ILE 67 -5.563 -1.799 -5.212 494 HG13 ILE 67 2HG1 ILE 67 -6.831 -2.991 -5.472 495 HG21 ILE 67 1HG2 ILE 67 -4.465 -1.593 -3.125 496 HG22 ILE 67 2HG2 ILE 67 -5.786 -1.803 -1.976 497 HG23 ILE 67 3HG2 ILE 67 -4.434 -2.935 -1.981 498 HD11 ILE 67 3HD1 ILE 67 -8.209 -1.848 -3.787 499 HD12 ILE 67 1HD1 ILE 67 -6.949 -0.627 -3.616 500 HD13 ILE 67 2HD1 ILE 67 -7.797 -0.812 -5.152 501 H LEU 68 H LEU 68 -6.069 -5.553 -2.331 502 HA LEU 68 HA LEU 68 -4.307 -5.707 -0.264 503 HB2 LEU 68 1HB LEU 68 -6.265 -7.765 -1.249 504 HB3 LEU 68 2HB LEU 68 -5.381 -7.937 0.266 505 HG LEU 68 HG LEU 68 -7.408 -5.813 -0.423 506 HD11 LEU 68 1HD1 LEU 68 -8.907 -7.094 0.595 507 HD12 LEU 68 2HD1 LEU 68 -7.845 -7.343 1.980 508 HD13 LEU 68 3HD1 LEU 68 -7.717 -8.396 0.571 509 HD21 LEU 68 3HD2 LEU 68 -6.231 -4.532 0.989 510 HD22 LEU 68 1HD2 LEU 68 -5.291 -5.895 1.597 511 HD23 LEU 68 2HD2 LEU 68 -6.900 -5.575 2.246 512 H GLY 69 H GLY 69 -4.393 -7.792 -3.121 513 HA2 GLY 69 1HA GLY 69 -2.665 -9.790 -2.531 514 HA3 GLY 69 2HA GLY 69 -2.667 -8.985 -4.093 515 H GLY 70 H GLY 70 -1.586 -6.606 -3.737 516 HA2 GLY 70 1HA GLY 70 1.171 -7.213 -3.248 517 HA3 GLY 70 2HA GLY 70 0.514 -5.650 -3.713 518 H VAL 71 H VAL 71 -1.250 -5.206 -1.606 519 HA VAL 71 HA VAL 71 0.279 -3.937 0.273 520 HB VAL 71 HB VAL 71 -2.431 -5.191 0.738 521 HG11 VAL 71 1HG1 VAL 71 -0.744 -3.344 2.353 522 HG12 VAL 71 2HG1 VAL 71 -2.495 -3.123 2.363 523 HG13 VAL 71 3HG1 VAL 71 -1.795 -4.660 2.875 524 HG21 VAL 71 3HG2 VAL 71 -1.623 -2.457 -0.247 525 HG22 VAL 71 1HG2 VAL 71 -2.498 -3.698 -1.144 526 HG23 VAL 71 2HG2 VAL 71 -3.261 -2.901 0.232 527 H GLU 72 H GLU 72 -0.374 -7.316 0.031 528 HA GLU 72 HA GLU 72 0.339 -7.924 2.759 529 HB2 GLU 72 1HB GLU 72 -0.111 -9.684 0.344 530 HB3 GLU 72 2HB GLU 72 0.257 -10.298 1.950 531 HG2 GLU 72 1HG GLU 72 -1.785 -9.159 2.789 532 HG3 GLU 72 2HG GLU 72 -2.172 -8.729 1.124 533 H GLN 73 H GLN 73 1.870 -8.121 -0.420 534 HA GLN 73 HA GLN 73 4.252 -9.371 0.499 535 HB2 GLN 73 1HB GLN 73 4.970 -9.269 -1.675 536 HB3 GLN 73 2HB GLN 73 3.238 -9.092 -1.927 537 HG2 GLN 73 1HG GLN 73 3.476 -6.694 -2.119 538 HG3 GLN 73 2HG GLN 73 5.200 -6.815 -1.768 539 HE21 GLN 73 2HE2 GLN 73 6.055 -8.100 -4.963 540 HE22 GLN 73 1HE2 GLN 73 6.468 -8.168 -3.287 541 H LEU 74 H LEU 74 3.158 -6.074 0.300 542 HA LEU 74 HA LEU 74 5.642 -4.764 0.449 543 HB2 LEU 74 1HB LEU 74 2.858 -3.995 1.258 544 HB3 LEU 74 2HB LEU 74 4.225 -2.916 1.529 545 HG LEU 74 HG LEU 74 3.146 -3.877 -1.116 546 HD11 LEU 74 1HD1 LEU 74 3.442 -1.077 -0.954 547 HD12 LEU 74 2HD1 LEU 74 2.637 -1.602 0.524 548 HD13 LEU 74 3HD1 LEU 74 1.951 -2.014 -1.047 549 HD21 LEU 74 3HD2 LEU 74 5.437 -3.862 -1.506 550 HD22 LEU 74 1HD2 LEU 74 5.714 -2.505 -0.414 551 HD23 LEU 74 2HD2 LEU 74 4.940 -2.235 -1.975 552 H GLN 75 H GLN 75 3.328 -5.582 3.036 553 HA GLN 75 HA GLN 75 4.669 -4.634 5.221 554 HB2 GLN 75 1HB GLN 75 3.160 -7.247 5.026 555 HB3 GLN 75 2HB GLN 75 3.569 -6.420 6.524 556 HG2 GLN 75 1HG GLN 75 2.224 -4.483 5.760 557 HG3 GLN 75 2HG GLN 75 1.735 -5.429 4.356 558 HE21 GLN 75 2HE2 GLN 75 -0.902 -6.883 6.017 559 HE22 GLN 75 1HE2 GLN 75 -0.164 -6.352 4.548 560 H ALA 76 H ALA 76 5.505 -7.348 3.232 561 HA ALA 76 HA ALA 76 7.311 -8.566 5.089 562 HB1 ALA 76 3HB ALA 76 8.123 -9.493 2.672 563 HB2 ALA 76 1HB ALA 76 6.794 -10.174 3.610 564 HB3 ALA 76 2HB ALA 76 6.462 -9.021 2.316 565 H LEU 77 H LEU 77 8.058 -7.138 1.909 566 HA LEU 77 HA LEU 77 10.766 -6.788 2.312 567 HB2 LEU 77 1HB LEU 77 10.538 -4.924 0.599 568 HB3 LEU 77 2HB LEU 77 9.988 -6.530 0.127 569 HG LEU 77 HG LEU 77 7.657 -5.544 0.956 570 HD11 LEU 77 1HD1 LEU 77 7.683 -3.366 1.360 571 HD12 LEU 77 2HD1 LEU 77 8.135 -3.088 -0.321 572 HD13 LEU 77 3HD1 LEU 77 9.385 -3.263 0.910 573 HD21 LEU 77 3HD2 LEU 77 7.087 -5.269 -1.300 574 HD22 LEU 77 1HD2 LEU 77 8.412 -6.433 -1.317 575 HD23 LEU 77 2HD2 LEU 77 8.714 -4.748 -1.740 576 H SER 78 H SER 78 8.096 -4.722 3.275 577 HA SER 78 HA SER 78 9.662 -2.475 4.013 578 HB2 SER 78 1HB SER 78 7.395 -1.988 3.692 579 HB3 SER 78 2HB SER 78 6.864 -3.379 4.637 580 HG SER 78 HG SER 78 8.363 -1.415 5.934 581 H SER 79 H SER 79 8.249 -5.135 5.903 582 HA SER 79 HA SER 79 9.929 -4.341 8.179 583 HB2 SER 79 1HB SER 79 7.434 -6.034 8.006 584 HB3 SER 79 2HB SER 79 8.424 -5.941 9.462 585 HG SER 79 HG SER 79 6.960 -3.885 8.192 586 H ARG 80 H ARG 80 11.881 -5.263 7.671 587 HA ARG 80 HA ARG 80 11.912 -8.178 7.262 588 HB2 ARG 80 1HB ARG 80 14.071 -6.153 6.644 589 HB3 ARG 80 2HB ARG 80 14.148 -7.878 6.310 590 HG2 ARG 80 1HG ARG 80 11.909 -6.285 5.164 591 HG3 ARG 80 2HG ARG 80 13.512 -6.173 4.435 592 HD2 ARG 80 1HD ARG 80 12.549 -7.896 3.234 593 HD3 ARG 80 2HD ARG 80 13.435 -8.765 4.486 594 HE ARG 80 HE ARG 80 11.018 -8.509 5.605 595 HH11 ARG 80 2HH1 ARG 80 11.997 -9.549 2.430 596 HH12 ARG 80 1HH1 ARG 80 10.649 -10.617 2.222 597 HH21 ARG 80 1HH2 ARG 80 9.080 -10.823 3.879 598 HH22 ARG 80 2HH2 ARG 80 9.239 -9.912 5.343 599 H LEU 81 H LEU 81 11.535 -7.083 9.845 600 HA LEU 81 HA LEU 81 14.053 -7.902 11.134 601 HB2 LEU 81 1HB LEU 81 12.149 -5.715 11.937 602 HB3 LEU 81 2HB LEU 81 13.378 -6.369 13.017 603 HG LEU 81 HG LEU 81 15.042 -5.687 11.159 604 HD11 LEU 81 1HD1 LEU 81 12.811 -3.787 10.483 605 HD12 LEU 81 2HD1 LEU 81 13.191 -5.217 9.523 606 HD13 LEU 81 3HD1 LEU 81 14.388 -3.934 9.707 607 HD21 LEU 81 3HD2 LEU 81 15.153 -4.592 13.234 608 HD22 LEU 81 1HD2 LEU 81 13.598 -3.796 12.993 609 HD23 LEU 81 2HD2 LEU 81 15.000 -3.300 12.043 610 H GLN 82 H GLN 82 13.823 -8.918 13.217 611 HA GLN 82 HA GLN 82 12.966 -10.598 14.501 612 HB2 GLN 82 1HB GLN 82 10.856 -8.503 14.381 613 HB3 GLN 82 2HB GLN 82 10.423 -10.051 15.093 614 HG2 GLN 82 1HG GLN 82 12.351 -9.821 16.635 615 HG3 GLN 82 2HG GLN 82 12.629 -8.209 15.977 616 HE21 GLN 82 2HE2 GLN 82 10.220 -8.578 19.030 617 HE22 GLN 82 1HE2 GLN 82 11.488 -9.655 18.568 618 H THR 83 H THR 83 12.897 -11.101 11.701 619 HA THR 83 HA THR 83 10.409 -12.153 10.859 620 HB THR 83 HB THR 83 11.660 -13.282 9.089 621 HG1 THR 83 1HG THR 83 13.790 -12.797 10.836 622 HG21 THR 83 3HG2 THR 83 11.288 -11.075 8.487 623 HG22 THR 83 1HG2 THR 83 13.039 -11.205 8.327 624 HG23 THR 83 2HG2 THR 83 12.338 -10.443 9.755 625 H GLU 84 H GLU 84 9.414 -13.667 12.052 626 HA GLU 84 HA GLU 84 10.922 -16.121 12.653 627 HB2 GLU 84 1HB GLU 84 9.168 -14.498 14.452 628 HB3 GLU 84 2HB GLU 84 9.235 -16.241 14.666 629 HG2 GLU 84 1HG GLU 84 11.764 -14.667 14.528 630 HG3 GLU 84 2HG GLU 84 10.823 -14.697 16.019 631 H ASN 85 H ASN 85 9.392 -17.988 13.131 632 HA ASN 85 HA ASN 85 6.846 -17.802 11.719 633 HB2 ASN 85 1HB ASN 85 7.396 -19.879 10.413 634 HB3 ASN 85 2HB ASN 85 8.307 -18.451 9.930 635 HD21 ASN 85 2HD2 ASN 85 11.350 -19.988 10.366 636 HD22 ASN 85 1HD2 ASN 85 10.380 -18.766 9.624 637 H SER 86 H SER 86 5.313 -19.232 12.433 638 HA SER 86 HA SER 86 5.539 -20.277 15.006 639 HB2 SER 86 1HB SER 86 3.606 -21.177 12.857 640 HB3 SER 86 2HB SER 86 3.397 -21.357 14.599 641 HG SER 86 HG SER 86 2.401 -19.508 14.386 642 H GLY 87 H GLY 87 5.816 -21.898 11.861 643 HA2 GLY 87 1HA GLY 87 7.725 -23.755 12.676 644 HA3 GLY 87 2HA GLY 87 6.154 -24.511 12.900 645 HA PRO 88 HA PRO 88 7.750 -24.760 8.414 646 HB2 PRO 88 2HB PRO 88 9.649 -25.992 8.808 647 HB3 PRO 88 1HB PRO 88 8.580 -27.345 8.420 648 HG2 PRO 88 1HG PRO 88 8.212 -27.861 10.653 649 HG3 PRO 88 2HG PRO 88 9.877 -27.258 10.745 650 HD2 PRO 88 1HD PRO 88 7.869 -26.225 12.240 651 HD3 PRO 88 2HD PRO 88 9.231 -25.244 11.661 652 H SER 89 H SER 89 6.342 -25.402 6.879 653 HA SER 89 HA SER 89 3.874 -26.590 7.634 654 HB2 SER 89 1HB SER 89 4.228 -24.916 5.760 655 HB3 SER 89 2HB SER 89 4.895 -26.245 4.811 656 HG SER 89 HG SER 89 2.451 -25.637 4.834 657 H SER 90 H SER 90 4.247 -28.637 8.455 658 HA SER 90 HA SER 90 4.584 -30.888 8.446 659 HB2 SER 90 1HB SER 90 4.097 -30.625 5.470 660 HB3 SER 90 2HB SER 90 3.920 -32.089 6.437 661 HG SER 90 HG SER 90 2.484 -29.844 7.244 662 H GLY 91 H GLY 91 6.922 -29.390 8.391 663 HA2 GLY 91 1HA GLY 91 8.666 -30.885 6.542 664 HA3 GLY 91 2HA GLY 91 9.064 -29.336 7.269 Start of MODEL 13 1 H1 GLY 1 H GLY 1 11.777 16.607 -0.598 2 HA2 GLY 1 1HA GLY 1 11.583 16.286 -3.421 3 HA3 GLY 1 2HA GLY 1 13.265 16.310 -2.912 4 H SER 2 H SER 2 10.475 14.428 -3.273 5 HA SER 2 HA SER 2 10.882 12.436 -1.333 6 HB2 SER 2 1HB SER 2 8.834 12.816 -2.837 7 HB3 SER 2 2HB SER 2 9.715 11.903 -4.062 8 HG SER 2 HG SER 2 8.730 11.045 -1.569 9 H SER 3 H SER 3 11.932 12.619 -4.724 10 HA SER 3 HA SER 3 13.290 10.144 -4.744 11 HB2 SER 3 1HB SER 3 12.564 11.528 -6.757 12 HB3 SER 3 2HB SER 3 13.991 12.523 -6.468 13 HG SER 3 HG SER 3 13.940 9.737 -7.014 14 H GLY 4 H GLY 4 15.003 9.613 -3.570 15 HA2 GLY 4 1HA GLY 4 17.485 10.231 -3.515 16 HA3 GLY 4 2HA GLY 4 16.906 11.736 -2.819 17 H SER 5 H SER 5 17.005 8.235 -2.320 18 HA SER 5 HA SER 5 17.214 8.722 0.559 19 HB2 SER 5 1HB SER 5 14.809 8.121 -0.178 20 HB3 SER 5 2HB SER 5 15.451 6.502 -0.457 21 HG SER 5 HG SER 5 14.542 7.253 1.756 22 H SER 6 H SER 6 18.173 6.969 1.740 23 HA SER 6 HA SER 6 20.367 5.803 0.446 24 HB2 SER 6 1HB SER 6 20.302 6.250 2.871 25 HB3 SER 6 2HB SER 6 19.090 4.985 3.068 26 HG SER 6 HG SER 6 21.682 4.695 3.134 27 H GLY 7 H GLY 7 17.526 4.136 1.832 28 HA2 GLY 7 1HA GLY 7 17.840 2.100 -0.286 29 HA3 GLY 7 2HA GLY 7 17.515 1.653 1.383 30 H MET 8 H MET 8 15.633 0.543 0.625 31 HA MET 8 HA MET 8 13.487 2.146 -0.502 32 HB2 MET 8 1HB MET 8 14.125 -0.354 -1.036 33 HB3 MET 8 2HB MET 8 13.120 -0.691 0.367 34 HG2 MET 8 1HG MET 8 12.238 0.838 -2.070 35 HG3 MET 8 2HG MET 8 11.893 -0.860 -1.749 36 HE1 MET 8 3HE MET 8 10.070 -1.692 -0.823 37 HE2 MET 8 1HE MET 8 10.370 -1.427 0.895 38 HE3 MET 8 2HE MET 8 8.839 -0.923 0.180 39 H GLU 9 H GLU 9 12.686 3.509 1.020 40 HA GLU 9 HA GLU 9 12.417 3.014 3.746 41 HB2 GLU 9 1HB GLU 9 11.027 4.941 3.840 42 HB3 GLU 9 2HB GLU 9 12.206 5.237 2.570 43 HG2 GLU 9 1HG GLU 9 10.279 4.214 1.066 44 HG3 GLU 9 2HG GLU 9 9.281 4.816 2.388 45 HA PRO 10 HA PRO 10 9.021 0.263 4.169 46 HB2 PRO 10 2HB PRO 10 9.522 0.197 6.410 47 HB3 PRO 10 1HB PRO 10 8.002 1.089 6.546 48 HG2 PRO 10 1HG PRO 10 9.074 3.140 6.731 49 HG3 PRO 10 2HG PRO 10 10.264 2.096 7.530 50 HD2 PRO 10 1HD PRO 10 10.896 3.682 5.429 51 HD3 PRO 10 2HD PRO 10 11.689 2.121 5.718 52 H VAL 11 H VAL 11 6.844 0.115 3.769 53 HA VAL 11 HA VAL 11 5.549 2.347 2.603 54 HB VAL 11 HB VAL 11 4.322 -0.275 3.468 55 HG11 VAL 11 1HG1 VAL 11 3.350 2.027 1.844 56 HG12 VAL 11 2HG1 VAL 11 2.823 0.396 1.423 57 HG13 VAL 11 3HG1 VAL 11 2.494 1.043 3.031 58 HG21 VAL 11 3HG2 VAL 11 6.008 0.492 1.166 59 HG22 VAL 11 1HG2 VAL 11 5.810 -1.070 1.960 60 HG23 VAL 11 2HG2 VAL 11 4.599 -0.507 0.808 61 H GLU 12 H GLU 12 5.347 0.815 5.761 62 HA GLU 12 HA GLU 12 3.016 1.999 6.718 63 HB2 GLU 12 1HB GLU 12 3.682 1.320 8.845 64 HB3 GLU 12 2HB GLU 12 4.526 0.196 7.790 65 HG2 GLU 12 1HG GLU 12 6.526 1.707 7.957 66 HG3 GLU 12 2HG GLU 12 5.659 2.582 9.219 67 H THR 13 H THR 13 6.017 3.419 5.955 68 HA THR 13 HA THR 13 5.457 5.791 7.591 69 HB THR 13 HB THR 13 7.739 6.518 7.034 70 HG1 THR 13 1HG THR 13 9.091 5.039 5.889 71 HG21 THR 13 3HG2 THR 13 7.516 5.228 9.037 72 HG22 THR 13 1HG2 THR 13 8.964 4.665 8.204 73 HG23 THR 13 2HG2 THR 13 7.478 3.718 8.128 74 H TRP 14 H TRP 14 5.585 4.642 4.318 75 HA TRP 14 HA TRP 14 5.930 6.846 2.777 76 HB2 TRP 14 1HB TRP 14 3.882 4.648 2.465 77 HB3 TRP 14 2HB TRP 14 4.198 5.853 1.219 78 HD1 TRP 14 HD TRP 14 7.342 4.890 2.942 79 HE1 TRP 14 1HE TRP 14 8.700 3.265 1.479 80 HE3 TRP 14 3HE TRP 14 3.769 3.744 -0.529 81 HZ2 TRP 14 2HZ TRP 14 8.309 1.705 -0.840 82 HZ3 TRP 14 3HZ TRP 14 4.341 2.177 -2.338 83 HH2 TRP 14 HH TRP 14 6.565 1.180 -2.489 84 H THR 15 H THR 15 4.659 8.532 1.977 85 HA THR 15 HA THR 15 2.720 9.552 3.850 86 HB THR 15 HB THR 15 2.582 11.444 2.089 87 HG1 THR 15 1HG THR 15 3.951 11.350 0.445 88 HG21 THR 15 3HG2 THR 15 3.832 11.531 4.244 89 HG22 THR 15 1HG2 THR 15 4.572 12.485 2.959 90 HG23 THR 15 2HG2 THR 15 5.252 10.918 3.397 91 HA PRO 16 HA PRO 16 -1.003 8.347 1.860 92 HB2 PRO 16 2HB PRO 16 -2.125 9.384 3.576 93 HB3 PRO 16 1HB PRO 16 -2.581 10.513 2.294 94 HG2 PRO 16 1HG PRO 16 -0.956 12.056 2.901 95 HG3 PRO 16 2HG PRO 16 -1.343 11.374 4.491 96 HD2 PRO 16 1HD PRO 16 1.175 11.410 3.495 97 HD3 PRO 16 2HD PRO 16 0.589 10.118 4.562 98 H GLY 17 H GLY 17 1.005 10.601 0.552 99 HA2 GLY 17 1HA GLY 17 -0.837 11.283 -1.645 100 HA3 GLY 17 2HA GLY 17 0.644 12.147 -1.261 101 H LYS 18 H LYS 18 1.788 9.265 -0.869 102 HA LYS 18 HA LYS 18 2.679 9.035 -3.639 103 HB2 LYS 18 1HB LYS 18 3.679 7.541 -1.210 104 HB3 LYS 18 2HB LYS 18 4.460 7.645 -2.783 105 HG2 LYS 18 1HG LYS 18 5.113 9.850 -2.454 106 HG3 LYS 18 2HG LYS 18 3.929 10.109 -1.170 107 HD2 LYS 18 1HD LYS 18 6.015 9.943 -0.083 108 HD3 LYS 18 2HD LYS 18 5.227 8.384 0.170 109 HE2 LYS 18 1HE LYS 18 7.003 8.724 -2.196 110 HE3 LYS 18 2HE LYS 18 7.742 8.544 -0.605 111 HZ1 LYS 18 3HZ LYS 18 5.672 6.627 -1.061 112 HZ2 LYS 18 1HZ LYS 18 7.277 6.385 -0.584 113 HZ3 LYS 18 2HZ LYS 18 6.895 6.520 -2.226 114 H VAL 19 H VAL 19 1.060 7.150 -1.135 115 HA VAL 19 HA VAL 19 0.965 4.640 -2.140 116 HB VAL 19 HB VAL 19 -1.322 6.202 -0.940 117 HG11 VAL 19 1HG1 VAL 19 -1.938 3.644 -0.389 118 HG12 VAL 19 2HG1 VAL 19 -2.576 4.520 -1.781 119 HG13 VAL 19 3HG1 VAL 19 -1.194 3.441 -1.974 120 HG21 VAL 19 3HG2 VAL 19 -0.119 5.963 0.920 121 HG22 VAL 19 1HG2 VAL 19 -0.440 4.232 0.813 122 HG23 VAL 19 2HG2 VAL 19 1.036 4.900 0.115 123 H ALA 20 H ALA 20 -0.887 7.409 -3.309 124 HA ALA 20 HA ALA 20 -2.653 6.186 -5.034 125 HB1 ALA 20 3HB ALA 20 -1.704 8.813 -4.591 126 HB2 ALA 20 1HB ALA 20 -1.649 8.514 -6.329 127 HB3 ALA 20 2HB ALA 20 -3.161 8.304 -5.445 128 H THR 21 H THR 21 0.747 6.992 -5.582 129 HA THR 21 HA THR 21 0.824 6.274 -8.313 130 HB THR 21 HB THR 21 3.066 6.309 -6.283 131 HG1 THR 21 1HG THR 21 1.897 8.244 -7.970 132 HG21 THR 21 3HG2 THR 21 3.031 5.961 -9.262 133 HG22 THR 21 1HG2 THR 21 3.921 5.045 -8.047 134 HG23 THR 21 2HG2 THR 21 4.420 6.687 -8.454 135 H TRP 22 H TRP 22 1.820 4.483 -5.397 136 HA TRP 22 HA TRP 22 2.591 2.125 -6.679 137 HB2 TRP 22 1HB TRP 22 3.099 2.640 -4.318 138 HB3 TRP 22 2HB TRP 22 1.397 2.428 -3.914 139 HD1 TRP 22 HD TRP 22 4.494 0.411 -4.958 140 HE1 TRP 22 1HE TRP 22 4.104 -2.057 -4.343 141 HE3 TRP 22 3HE TRP 22 -0.392 0.705 -3.485 142 HZ2 TRP 22 2HZ TRP 22 2.002 -3.667 -3.364 143 HZ3 TRP 22 3HZ TRP 22 -1.520 -1.345 -2.724 144 HH2 TRP 22 HH TRP 22 -0.346 -3.485 -2.665 145 H LEU 23 H LEU 23 -0.571 3.254 -5.647 146 HA LEU 23 HA LEU 23 -1.895 0.760 -6.134 147 HB2 LEU 23 1HB LEU 23 -2.752 3.542 -5.488 148 HB3 LEU 23 2HB LEU 23 -3.944 2.400 -6.104 149 HG LEU 23 HG LEU 23 -2.260 1.801 -3.686 150 HD11 LEU 23 1HD1 LEU 23 -3.751 3.962 -3.627 151 HD12 LEU 23 2HD1 LEU 23 -3.730 2.836 -2.271 152 HD13 LEU 23 3HD1 LEU 23 -5.056 2.791 -3.432 153 HD21 LEU 23 3HD2 LEU 23 -3.312 -0.148 -3.786 154 HD22 LEU 23 1HD2 LEU 23 -4.195 0.378 -5.219 155 HD23 LEU 23 2HD2 LEU 23 -4.857 0.686 -3.614 156 H ARG 24 H ARG 24 -1.666 3.852 -7.868 157 HA ARG 24 HA ARG 24 -3.331 3.250 -10.011 158 HB2 ARG 24 1HB ARG 24 -2.232 5.478 -9.421 159 HB3 ARG 24 2HB ARG 24 -0.809 4.879 -10.264 160 HG2 ARG 24 1HG ARG 24 -3.410 4.788 -11.690 161 HG3 ARG 24 2HG ARG 24 -2.631 6.356 -11.471 162 HD2 ARG 24 1HD ARG 24 -0.974 4.093 -12.454 163 HD3 ARG 24 2HD ARG 24 -2.130 4.820 -13.570 164 HE ARG 24 HE ARG 24 -0.812 6.955 -12.548 165 HH11 ARG 24 2HH1 ARG 24 0.213 3.993 -14.062 166 HH12 ARG 24 1HH1 ARG 24 1.647 4.685 -14.744 167 HH21 ARG 24 1HH2 ARG 24 2.136 6.895 -14.389 168 HH22 ARG 24 2HH2 ARG 24 1.073 7.878 -13.440 169 H GLY 25 H GLY 25 -0.206 2.039 -9.239 170 HA2 GLY 25 1HA GLY 25 0.339 1.141 -11.956 171 HA3 GLY 25 2HA GLY 25 1.374 0.913 -10.554 172 H LEU 26 H LEU 26 -0.797 -0.178 -8.915 173 HA LEU 26 HA LEU 26 -0.414 -2.841 -9.105 174 HB2 LEU 26 1HB LEU 26 -2.685 -1.194 -8.149 175 HB3 LEU 26 2HB LEU 26 -2.968 -2.924 -8.333 176 HG LEU 26 HG LEU 26 -0.728 -1.783 -6.673 177 HD11 LEU 26 1HD1 LEU 26 -3.595 -2.185 -6.052 178 HD12 LEU 26 2HD1 LEU 26 -2.444 -1.018 -5.403 179 HD13 LEU 26 3HD1 LEU 26 -2.422 -2.686 -4.833 180 HD21 LEU 26 3HD2 LEU 26 -0.818 -4.225 -7.611 181 HD22 LEU 26 1HD2 LEU 26 -1.990 -4.461 -6.314 182 HD23 LEU 26 2HD2 LEU 26 -0.353 -3.927 -5.935 183 H ASP 27 H ASP 27 -3.153 -1.162 -10.656 184 HA ASP 27 HA ASP 27 -2.971 -2.702 -13.031 185 HB2 ASP 27 1HB ASP 27 -4.050 -4.244 -11.180 186 HB3 ASP 27 2HB ASP 27 -5.500 -3.319 -11.562 187 H ASP 28 H ASP 28 -4.903 -2.299 -14.478 188 HA ASP 28 HA ASP 28 -5.524 0.507 -14.381 189 HB2 ASP 28 1HB ASP 28 -6.168 -1.699 -16.331 190 HB3 ASP 28 2HB ASP 28 -6.816 -0.072 -16.515 191 H SER 29 H SER 29 -7.307 -2.521 -14.022 192 HA SER 29 HA SER 29 -9.901 -1.545 -13.970 193 HB2 SER 29 1HB SER 29 -8.548 -3.913 -12.746 194 HB3 SER 29 2HB SER 29 -10.200 -3.539 -12.256 195 HG SER 29 HG SER 29 -9.286 -4.625 -14.573 196 H LEU 30 H LEU 30 -7.375 -0.927 -11.803 197 HA LEU 30 HA LEU 30 -9.268 -0.001 -9.745 198 HB2 LEU 30 1HB LEU 30 -6.332 -0.496 -9.340 199 HB3 LEU 30 2HB LEU 30 -7.575 -0.271 -8.111 200 HG LEU 30 HG LEU 30 -7.511 -2.651 -9.955 201 HD11 LEU 30 1HD1 LEU 30 -5.551 -2.104 -8.131 202 HD12 LEU 30 2HD1 LEU 30 -6.015 -3.714 -8.681 203 HD13 LEU 30 3HD1 LEU 30 -6.687 -3.067 -7.185 204 HD21 LEU 30 3HD2 LEU 30 -8.836 -3.606 -8.008 205 HD22 LEU 30 1HD2 LEU 30 -9.648 -2.399 -9.005 206 HD23 LEU 30 2HD2 LEU 30 -8.988 -1.944 -7.434 207 H GLN 31 H GLN 31 -6.463 0.842 -11.688 208 HA GLN 31 HA GLN 31 -5.650 3.227 -10.685 209 HB2 GLN 31 1HB GLN 31 -4.697 3.652 -12.725 210 HB3 GLN 31 2HB GLN 31 -5.055 1.941 -12.919 211 HG2 GLN 31 1HG GLN 31 -7.023 2.435 -14.191 212 HG3 GLN 31 2HG GLN 31 -6.849 4.160 -13.871 213 HE21 GLN 31 2HE2 GLN 31 -5.559 3.922 -17.192 214 HE22 GLN 31 1HE2 GLN 31 -7.041 4.023 -16.310 215 H ASP 32 H ASP 32 -8.738 2.520 -12.035 216 HA ASP 32 HA ASP 32 -9.533 5.153 -12.714 217 HB2 ASP 32 1HB ASP 32 -11.074 2.643 -12.072 218 HB3 ASP 32 2HB ASP 32 -11.878 4.159 -12.466 219 H TYR 33 H TYR 33 -9.929 3.199 -9.784 220 HA TYR 33 HA TYR 33 -11.573 4.778 -8.279 221 HB2 TYR 33 1HB TYR 33 -9.186 3.120 -7.496 222 HB3 TYR 33 2HB TYR 33 -10.146 3.970 -6.289 223 HD1 TYR 33 1HD TYR 33 -10.409 1.475 -9.037 224 HD2 TYR 33 2HD TYR 33 -12.102 3.006 -5.446 225 HE1 TYR 33 1HE TYR 33 -12.002 -0.399 -8.995 226 HE2 TYR 33 2HE TYR 33 -13.698 1.136 -5.394 227 HH TYR 33 HH TYR 33 -14.686 -0.482 -6.835 228 HA PRO 34 HA PRO 34 -9.502 8.634 -7.757 229 HB2 PRO 34 2HB PRO 34 -11.566 9.489 -7.220 230 HB3 PRO 34 1HB PRO 34 -10.876 9.530 -5.594 231 HG2 PRO 34 1HG PRO 34 -11.924 7.557 -4.962 232 HG3 PRO 34 2HG PRO 34 -13.136 8.206 -6.082 233 HD2 PRO 34 1HD PRO 34 -12.054 5.741 -6.374 234 HD3 PRO 34 2HD PRO 34 -12.560 6.732 -7.757 235 H PHE 35 H PHE 35 -7.502 7.461 -7.132 236 HA PHE 35 HA PHE 35 -6.973 6.883 -4.393 237 HB2 PHE 35 1HB PHE 35 -5.159 7.217 -6.784 238 HB3 PHE 35 2HB PHE 35 -4.576 6.763 -5.186 239 HD1 PHE 35 2HD PHE 35 -6.418 4.841 -4.198 240 HD2 PHE 35 1HD PHE 35 -5.071 5.415 -8.195 241 HE1 PHE 35 2HE PHE 35 -6.896 2.479 -4.695 242 HE2 PHE 35 1HE PHE 35 -5.547 3.054 -8.698 243 HZ PHE 35 HZ PHE 35 -6.460 1.583 -6.947 244 H GLU 36 H GLU 36 -6.509 9.672 -6.462 245 HA GLU 36 HA GLU 36 -4.759 11.124 -4.803 246 HB2 GLU 36 1HB GLU 36 -6.820 12.159 -6.760 247 HB3 GLU 36 2HB GLU 36 -5.499 13.098 -6.078 248 HG2 GLU 36 1HG GLU 36 -4.965 10.588 -7.614 249 HG3 GLU 36 2HG GLU 36 -5.241 12.121 -8.440 250 H ASP 37 H ASP 37 -8.134 10.480 -4.589 251 HA ASP 37 HA ASP 37 -8.592 12.654 -2.697 252 HB2 ASP 37 1HB ASP 37 -10.492 10.558 -3.773 253 HB3 ASP 37 2HB ASP 37 -10.942 11.915 -2.745 254 H TRP 38 H TRP 38 -8.277 9.166 -2.802 255 HA TRP 38 HA TRP 38 -9.277 8.378 -0.380 256 HB2 TRP 38 1HB TRP 38 -6.945 7.447 -2.010 257 HB3 TRP 38 2HB TRP 38 -7.204 6.755 -0.411 258 HD1 TRP 38 HD TRP 38 -10.133 7.643 -2.724 259 HE1 TRP 38 1HE TRP 38 -11.346 5.469 -3.376 260 HE3 TRP 38 3HE TRP 38 -6.892 4.261 -0.676 261 HZ2 TRP 38 2HZ TRP 38 -10.978 2.688 -3.064 262 HZ3 TRP 38 3HZ TRP 38 -7.396 1.862 -0.897 263 HH2 TRP 38 HH TRP 38 -9.397 1.094 -2.066 264 H GLN 39 H GLN 39 -6.107 9.835 -1.008 265 HA GLN 39 HA GLN 39 -4.488 10.627 0.395 266 HB2 GLN 39 1HB GLN 39 -7.037 11.523 1.726 267 HB3 GLN 39 2HB GLN 39 -5.454 12.002 2.325 268 HG2 GLN 39 1HG GLN 39 -4.978 13.255 0.420 269 HG3 GLN 39 2HG GLN 39 -6.237 12.464 -0.526 270 HE21 GLN 39 2HE2 GLN 39 -8.473 15.004 0.086 271 HE22 GLN 39 1HE2 GLN 39 -7.823 13.800 -0.968 272 H LEU 40 H LEU 40 -5.128 7.886 0.813 273 HA LEU 40 HA LEU 40 -5.205 7.452 3.674 274 HB2 LEU 40 1HB LEU 40 -6.367 5.900 2.236 275 HB3 LEU 40 2HB LEU 40 -4.881 5.558 1.352 276 HG LEU 40 HG LEU 40 -4.079 4.790 3.769 277 HD11 LEU 40 1HD1 LEU 40 -6.905 3.873 3.919 278 HD12 LEU 40 2HD1 LEU 40 -6.496 5.473 4.537 279 HD13 LEU 40 3HD1 LEU 40 -5.702 4.044 5.197 280 HD21 LEU 40 3HD2 LEU 40 -5.333 3.456 1.486 281 HD22 LEU 40 1HD2 LEU 40 -5.388 2.529 2.986 282 HD23 LEU 40 2HD2 LEU 40 -3.839 3.078 2.346 283 HA PRO 41 HA PRO 41 -0.773 7.801 4.001 284 HB2 PRO 41 2HB PRO 41 -1.156 8.823 6.023 285 HB3 PRO 41 1HB PRO 41 -0.654 7.251 6.657 286 HG2 PRO 41 1HG PRO 41 -2.840 6.549 7.001 287 HG3 PRO 41 2HG PRO 41 -3.022 8.287 7.303 288 HD2 PRO 41 1HD PRO 41 -4.507 6.963 5.466 289 HD3 PRO 41 2HD PRO 41 -4.033 8.662 5.265 290 H GLY 42 H GLY 42 0.942 6.385 4.082 291 HA2 GLY 42 1HA GLY 42 0.587 3.725 3.453 292 HA3 GLY 42 2HA GLY 42 2.066 4.380 4.140 293 H LYS 43 H LYS 43 1.499 4.998 6.657 294 HA LYS 43 HA LYS 43 1.743 2.784 8.148 295 HB2 LYS 43 1HB LYS 43 0.454 4.080 9.984 296 HB3 LYS 43 2HB LYS 43 1.934 4.776 9.336 297 HG2 LYS 43 1HG LYS 43 0.827 6.447 8.223 298 HG3 LYS 43 2HG LYS 43 -0.671 5.521 8.099 299 HD2 LYS 43 1HD LYS 43 -0.869 5.754 10.611 300 HD3 LYS 43 2HD LYS 43 0.450 6.924 10.517 301 HE2 LYS 43 1HE LYS 43 -1.057 8.034 8.694 302 HE3 LYS 43 2HE LYS 43 -2.344 7.118 9.476 303 HZ1 LYS 43 3HZ LYS 43 -1.094 9.514 10.324 304 HZ2 LYS 43 1HZ LYS 43 -0.920 8.321 11.511 305 HZ3 LYS 43 2HZ LYS 43 -2.461 8.744 10.956 306 H ASN 44 H ASN 44 -1.291 4.043 6.893 307 HA ASN 44 HA ASN 44 -2.839 1.988 8.236 308 HB2 ASN 44 1HB ASN 44 -3.452 4.417 6.631 309 HB3 ASN 44 2HB ASN 44 -4.648 3.124 6.625 310 HD21 ASN 44 2HD2 ASN 44 -4.033 5.400 9.928 311 HD22 ASN 44 1HD2 ASN 44 -2.970 5.471 8.569 312 H LEU 45 H LEU 45 -1.607 2.722 5.037 313 HA LEU 45 HA LEU 45 -3.059 1.042 3.429 314 HB2 LEU 45 1HB LEU 45 -1.354 2.526 2.568 315 HB3 LEU 45 2HB LEU 45 -0.094 1.581 3.359 316 HG LEU 45 HG LEU 45 -0.838 -0.349 1.862 317 HD11 LEU 45 1HD1 LEU 45 -2.829 0.150 0.889 318 HD12 LEU 45 2HD1 LEU 45 -1.755 0.781 -0.359 319 HD13 LEU 45 3HD1 LEU 45 -2.488 1.878 0.811 320 HD21 LEU 45 3HD2 LEU 45 0.989 1.725 1.509 321 HD22 LEU 45 1HD2 LEU 45 0.182 1.555 -0.050 322 HD23 LEU 45 2HD2 LEU 45 0.978 0.164 0.687 323 H LEU 46 H LEU 46 -0.030 0.157 5.097 324 HA LEU 46 HA LEU 46 -0.170 -2.582 4.454 325 HB2 LEU 46 1HB LEU 46 1.284 -1.046 6.585 326 HB3 LEU 46 2HB LEU 46 1.414 -2.798 6.450 327 HG LEU 46 HG LEU 46 2.155 -0.880 4.245 328 HD11 LEU 46 1HD1 LEU 46 3.713 -0.393 5.904 329 HD12 LEU 46 2HD1 LEU 46 4.512 -1.628 4.932 330 HD13 LEU 46 3HD1 LEU 46 3.773 -2.061 6.473 331 HD21 LEU 46 3HD2 LEU 46 2.675 -2.671 2.999 332 HD22 LEU 46 1HD2 LEU 46 1.586 -3.535 4.084 333 HD23 LEU 46 2HD2 LEU 46 3.325 -3.565 4.374 334 H GLN 47 H GLN 47 -1.848 -0.699 6.761 335 HA GLN 47 HA GLN 47 -2.649 -3.095 8.261 336 HB2 GLN 47 1HB GLN 47 -2.833 -0.159 8.935 337 HB3 GLN 47 2HB GLN 47 -3.599 -1.418 9.894 338 HG2 GLN 47 1HG GLN 47 -0.647 -1.177 9.357 339 HG3 GLN 47 2HG GLN 47 -1.467 -0.707 10.845 340 HE21 GLN 47 2HE2 GLN 47 0.020 -4.071 11.269 341 HE22 GLN 47 1HE2 GLN 47 0.615 -2.506 10.844 342 H LEU 48 H LEU 48 -3.617 -2.164 5.568 343 HA LEU 48 HA LEU 48 -6.312 -1.276 5.939 344 HB2 LEU 48 1HB LEU 48 -4.619 -2.119 3.656 345 HB3 LEU 48 2HB LEU 48 -6.366 -2.219 3.447 346 HG LEU 48 HG LEU 48 -4.856 0.286 4.186 347 HD11 LEU 48 1HD1 LEU 48 -4.413 0.565 2.035 348 HD12 LEU 48 2HD1 LEU 48 -6.130 0.441 1.656 349 HD13 LEU 48 3HD1 LEU 48 -5.126 -1.008 1.678 350 HD21 LEU 48 3HD2 LEU 48 -7.480 -0.291 4.650 351 HD22 LEU 48 1HD2 LEU 48 -7.551 0.461 3.057 352 HD23 LEU 48 2HD2 LEU 48 -6.826 1.330 4.410 353 H CYS 49 H CYS 49 -8.218 -2.490 5.314 354 HA CYS 49 HA CYS 49 -7.951 -5.402 5.471 355 HB2 CYS 49 1HB CYS 49 -9.346 -3.635 7.416 356 HB3 CYS 49 2HB CYS 49 -10.141 -5.144 6.985 357 HG CYS 49 HG CYS 49 -6.908 -5.099 8.074 358 HA PRO 50 HA PRO 50 -11.083 -5.549 2.406 359 HB2 PRO 50 2HB PRO 50 -10.909 -7.839 2.465 360 HB3 PRO 50 1HB PRO 50 -12.538 -7.720 3.141 361 HG2 PRO 50 1HG PRO 50 -11.787 -7.964 5.324 362 HG3 PRO 50 2HG PRO 50 -10.598 -8.968 4.474 363 HD2 PRO 50 1HD PRO 50 -9.884 -6.909 6.082 364 HD3 PRO 50 2HD PRO 50 -8.940 -7.376 4.652 365 H GLN 51 H GLN 51 -11.991 -5.220 5.718 366 HA GLN 51 HA GLN 51 -14.794 -4.752 5.124 367 HB2 GLN 51 1HB GLN 51 -14.284 -5.905 7.185 368 HB3 GLN 51 2HB GLN 51 -13.219 -4.603 7.697 369 HG2 GLN 51 1HG GLN 51 -15.407 -3.165 7.442 370 HG3 GLN 51 2HG GLN 51 -16.186 -4.731 7.666 371 HE21 GLN 51 2HE2 GLN 51 -16.061 -3.671 11.042 372 HE22 GLN 51 1HE2 GLN 51 -17.015 -3.630 9.602 373 H SER 52 H SER 52 -11.907 -2.927 5.953 374 HA SER 52 HA SER 52 -13.262 -0.433 6.297 375 HB2 SER 52 1HB SER 52 -10.868 -1.244 7.101 376 HB3 SER 52 2HB SER 52 -10.367 -0.539 5.565 377 HG SER 52 HG SER 52 -10.272 1.058 7.110 378 H LEU 53 H LEU 53 -11.304 -1.841 3.685 379 HA LEU 53 HA LEU 53 -11.231 0.205 1.886 380 HB2 LEU 53 1HB LEU 53 -11.416 -2.748 1.607 381 HB3 LEU 53 2HB LEU 53 -11.613 -1.765 0.157 382 HG LEU 53 HG LEU 53 -9.231 -1.289 1.880 383 HD11 LEU 53 1HD1 LEU 53 -9.750 -3.737 0.259 384 HD12 LEU 53 2HD1 LEU 53 -8.917 -3.564 1.803 385 HD13 LEU 53 3HD1 LEU 53 -8.123 -3.058 0.312 386 HD21 LEU 53 3HD2 LEU 53 -9.754 0.114 -0.091 387 HD22 LEU 53 1HD2 LEU 53 -9.619 -1.320 -1.110 388 HD23 LEU 53 2HD2 LEU 53 -8.210 -0.728 -0.229 389 H GLU 54 H GLU 54 -13.944 -1.966 2.520 390 HA GLU 54 HA GLU 54 -15.649 -1.356 0.465 391 HB2 GLU 54 1HB GLU 54 -16.438 -1.676 3.366 392 HB3 GLU 54 2HB GLU 54 -17.494 -1.887 1.977 393 HG2 GLU 54 1HG GLU 54 -15.819 -3.694 1.244 394 HG3 GLU 54 2HG GLU 54 -15.247 -3.625 2.910 395 H ALA 55 H ALA 55 -15.043 0.526 3.394 396 HA ALA 55 HA ALA 55 -17.035 2.454 3.096 397 HB1 ALA 55 3HB ALA 55 -14.797 2.041 4.774 398 HB2 ALA 55 1HB ALA 55 -14.702 3.691 4.159 399 HB3 ALA 55 2HB ALA 55 -16.150 3.148 5.007 400 H LEU 56 H LEU 56 -13.897 2.153 1.563 401 HA LEU 56 HA LEU 56 -14.095 4.775 0.332 402 HB2 LEU 56 1HB LEU 56 -12.053 2.620 -0.172 403 HB3 LEU 56 2HB LEU 56 -11.928 4.327 -0.592 404 HG LEU 56 HG LEU 56 -11.968 3.224 2.217 405 HD11 LEU 56 1HD1 LEU 56 -9.911 2.567 1.314 406 HD12 LEU 56 2HD1 LEU 56 -9.566 4.079 2.152 407 HD13 LEU 56 3HD1 LEU 56 -9.734 4.063 0.397 408 HD21 LEU 56 3HD2 LEU 56 -12.665 5.736 1.374 409 HD22 LEU 56 1HD2 LEU 56 -10.950 5.918 1.742 410 HD23 LEU 56 2HD2 LEU 56 -12.059 5.324 2.978 411 H ALA 57 H ALA 57 -16.094 2.705 -0.268 412 HA ALA 57 HA ALA 57 -17.305 2.009 -2.067 413 HB1 ALA 57 3HB ALA 57 -15.817 4.275 -3.015 414 HB2 ALA 57 1HB ALA 57 -16.017 3.089 -4.306 415 HB3 ALA 57 2HB ALA 57 -17.431 3.727 -3.467 416 H VAL 58 H VAL 58 -15.116 0.430 -1.114 417 HA VAL 58 HA VAL 58 -14.453 -1.025 -3.588 418 HB VAL 58 HB VAL 58 -12.661 -0.688 -1.178 419 HG11 VAL 58 1HG1 VAL 58 -12.691 -2.619 -3.375 420 HG12 VAL 58 2HG1 VAL 58 -11.142 -1.805 -3.153 421 HG13 VAL 58 3HG1 VAL 58 -11.875 -2.688 -1.814 422 HG21 VAL 58 3HG2 VAL 58 -12.998 0.884 -3.536 423 HG22 VAL 58 1HG2 VAL 58 -11.866 1.114 -2.203 424 HG23 VAL 58 2HG2 VAL 58 -11.412 0.114 -3.583 425 H ARG 59 H ARG 59 -16.241 -2.399 -3.252 426 HA ARG 59 HA ARG 59 -16.039 -4.164 -0.904 427 HB2 ARG 59 1HB ARG 59 -18.425 -3.635 -2.686 428 HB3 ARG 59 2HB ARG 59 -18.405 -4.703 -1.289 429 HG2 ARG 59 1HG ARG 59 -17.935 -2.791 0.163 430 HG3 ARG 59 2HG ARG 59 -17.970 -1.724 -1.242 431 HD2 ARG 59 1HD ARG 59 -20.260 -3.411 -0.238 432 HD3 ARG 59 2HD ARG 59 -20.089 -1.669 -0.025 433 HE ARG 59 HE ARG 59 -20.919 -3.059 -2.412 434 HH11 ARG 59 2HH1 ARG 59 -19.623 -0.113 -1.085 435 HH12 ARG 59 1HH1 ARG 59 -20.147 0.869 -2.413 436 HH21 ARG 59 1HH2 ARG 59 -21.280 -0.078 -4.164 437 HH22 ARG 59 2HH2 ARG 59 -21.614 -1.777 -4.166 438 H SER 60 H SER 60 -16.598 -4.114 -4.402 439 HA SER 60 HA SER 60 -16.943 -6.739 -5.001 440 HB2 SER 60 1HB SER 60 -15.238 -4.705 -6.450 441 HB3 SER 60 2HB SER 60 -15.653 -6.281 -7.124 442 HG SER 60 HG SER 60 -17.765 -4.775 -6.146 443 H LEU 61 H LEU 61 -15.940 -8.352 -3.948 444 HA LEU 61 HA LEU 61 -13.508 -8.505 -2.790 445 HB2 LEU 61 1HB LEU 61 -15.412 -10.288 -3.183 446 HB3 LEU 61 2HB LEU 61 -14.318 -10.841 -4.449 447 HG LEU 61 HG LEU 61 -14.091 -12.098 -2.333 448 HD11 LEU 61 1HD1 LEU 61 -11.978 -12.462 -2.903 449 HD12 LEU 61 2HD1 LEU 61 -11.487 -10.868 -2.330 450 HD13 LEU 61 3HD1 LEU 61 -12.087 -11.066 -3.976 451 HD21 LEU 61 3HD2 LEU 61 -12.671 -9.858 -1.034 452 HD22 LEU 61 1HD2 LEU 61 -13.639 -11.154 -0.330 453 HD23 LEU 61 2HD2 LEU 61 -14.433 -9.760 -1.062 454 H GLY 62 H GLY 62 -14.158 -9.050 -6.237 455 HA2 GLY 62 1HA GLY 62 -11.702 -9.879 -7.129 456 HA3 GLY 62 2HA GLY 62 -12.768 -8.835 -8.058 457 H HIS 63 H HIS 63 -12.726 -6.474 -6.851 458 HA HIS 63 HA HIS 63 -10.270 -5.358 -7.603 459 HB2 HIS 63 1HB HIS 63 -12.550 -4.298 -5.939 460 HB3 HIS 63 2HB HIS 63 -11.131 -3.323 -6.312 461 HD1 HIS 63 1HD HIS 63 -14.326 -3.279 -7.349 462 HD2 HIS 63 2HD HIS 63 -10.823 -3.950 -9.481 463 HE1 HIS 63 1HE HIS 63 -14.878 -2.728 -9.740 464 HE2 HIS 63 2HE HIS 63 -12.768 -3.223 -11.024 465 H GLN 64 H GLN 64 -11.567 -6.122 -4.389 466 HA GLN 64 HA GLN 64 -9.506 -5.089 -2.840 467 HB2 GLN 64 1HB GLN 64 -11.425 -7.362 -2.434 468 HB3 GLN 64 2HB GLN 64 -10.187 -7.014 -1.235 469 HG2 GLN 64 1HG GLN 64 -11.077 -4.871 -0.797 470 HG3 GLN 64 2HG GLN 64 -12.130 -4.944 -2.209 471 HE21 GLN 64 2HE2 GLN 64 -14.660 -5.768 0.036 472 HE22 GLN 64 1HE2 GLN 64 -13.987 -4.585 -1.028 473 H GLU 65 H GLU 65 -9.871 -8.419 -4.059 474 HA GLU 65 HA GLU 65 -7.592 -9.562 -3.069 475 HB2 GLU 65 1HB GLU 65 -9.344 -10.708 -4.435 476 HB3 GLU 65 2HB GLU 65 -8.634 -9.988 -5.873 477 HG2 GLU 65 1HG GLU 65 -7.987 -12.372 -5.367 478 HG3 GLU 65 2HG GLU 65 -6.665 -11.245 -5.666 479 H LEU 66 H LEU 66 -7.874 -7.689 -6.077 480 HA LEU 66 HA LEU 66 -5.285 -7.910 -7.005 481 HB2 LEU 66 1HB LEU 66 -7.252 -5.644 -7.152 482 HB3 LEU 66 2HB LEU 66 -5.687 -5.582 -7.960 483 HG LEU 66 HG LEU 66 -7.657 -7.788 -8.491 484 HD11 LEU 66 1HD1 LEU 66 -7.571 -5.014 -9.612 485 HD12 LEU 66 2HD1 LEU 66 -8.959 -5.961 -9.079 486 HD13 LEU 66 3HD1 LEU 66 -8.143 -6.367 -10.588 487 HD21 LEU 66 3HD2 LEU 66 -5.566 -8.369 -9.335 488 HD22 LEU 66 1HD2 LEU 66 -5.193 -6.714 -9.817 489 HD23 LEU 66 2HD2 LEU 66 -6.384 -7.648 -10.723 490 H ILE 67 H ILE 67 -6.524 -5.159 -5.096 491 HA ILE 67 HA ILE 67 -4.044 -3.987 -4.590 492 HB ILE 67 HB ILE 67 -6.542 -3.894 -2.894 493 HG12 ILE 67 1HG1 ILE 67 -5.492 -2.014 -5.021 494 HG13 ILE 67 2HG1 ILE 67 -6.873 -3.092 -5.191 495 HG21 ILE 67 1HG2 ILE 67 -3.966 -3.007 -2.263 496 HG22 ILE 67 2HG2 ILE 67 -4.867 -1.565 -2.728 497 HG23 ILE 67 3HG2 ILE 67 -5.471 -2.604 -1.438 498 HD11 ILE 67 3HD1 ILE 67 -8.195 -1.513 -4.403 499 HD12 ILE 67 1HD1 ILE 67 -7.292 -1.500 -2.888 500 HD13 ILE 67 2HD1 ILE 67 -6.808 -0.441 -4.212 501 H LEU 68 H LEU 68 -5.995 -5.778 -2.197 502 HA LEU 68 HA LEU 68 -4.250 -6.046 -0.167 503 HB2 LEU 68 1HB LEU 68 -6.138 -8.081 -1.310 504 HB3 LEU 68 2HB LEU 68 -5.220 -8.386 0.164 505 HG LEU 68 HG LEU 68 -7.276 -6.217 -0.251 506 HD11 LEU 68 1HD1 LEU 68 -8.007 -7.804 1.883 507 HD12 LEU 68 2HD1 LEU 68 -7.401 -8.958 0.695 508 HD13 LEU 68 3HD1 LEU 68 -8.701 -7.848 0.262 509 HD21 LEU 68 3HD2 LEU 68 -6.913 -6.090 2.326 510 HD22 LEU 68 1HD2 LEU 68 -5.820 -5.232 1.240 511 HD23 LEU 68 2HD2 LEU 68 -5.332 -6.773 1.946 512 H GLY 69 H GLY 69 -4.259 -8.052 -3.095 513 HA2 GLY 69 1HA GLY 69 -2.397 -9.946 -2.572 514 HA3 GLY 69 2HA GLY 69 -2.486 -9.123 -4.122 515 H GLY 70 H GLY 70 -1.568 -6.661 -3.698 516 HA2 GLY 70 1HA GLY 70 1.239 -7.095 -3.341 517 HA3 GLY 70 2HA GLY 70 0.459 -5.560 -3.695 518 H VAL 71 H VAL 71 -1.217 -5.280 -1.524 519 HA VAL 71 HA VAL 71 0.322 -4.051 0.370 520 HB VAL 71 HB VAL 71 -2.309 -5.438 0.905 521 HG11 VAL 71 1HG1 VAL 71 -0.612 -3.586 2.470 522 HG12 VAL 71 2HG1 VAL 71 -2.352 -3.294 2.497 523 HG13 VAL 71 3HG1 VAL 71 -1.710 -4.854 3.014 524 HG21 VAL 71 3HG2 VAL 71 -2.182 -2.530 0.393 525 HG22 VAL 71 1HG2 VAL 71 -1.930 -3.586 -0.997 526 HG23 VAL 71 2HG2 VAL 71 -3.415 -3.709 -0.053 527 H GLU 72 H GLU 72 -0.313 -7.446 0.036 528 HA GLU 72 HA GLU 72 0.558 -8.139 2.691 529 HB2 GLU 72 1HB GLU 72 0.025 -9.817 0.237 530 HB3 GLU 72 2HB GLU 72 0.476 -10.482 1.800 531 HG2 GLU 72 1HG GLU 72 -2.049 -9.083 1.016 532 HG3 GLU 72 2HG GLU 72 -1.841 -10.685 1.721 533 H GLN 73 H GLN 73 1.931 -8.259 -0.571 534 HA GLN 73 HA GLN 73 4.372 -9.481 0.184 535 HB2 GLN 73 1HB GLN 73 4.977 -9.282 -2.014 536 HB3 GLN 73 2HB GLN 73 3.237 -9.094 -2.178 537 HG2 GLN 73 1HG GLN 73 3.448 -6.710 -2.316 538 HG3 GLN 73 2HG GLN 73 5.173 -6.802 -1.964 539 HE21 GLN 73 2HE2 GLN 73 6.080 -7.901 -5.205 540 HE22 GLN 73 1HE2 GLN 73 6.499 -7.998 -3.532 541 H LEU 74 H LEU 74 3.231 -6.195 0.198 542 HA LEU 74 HA LEU 74 5.721 -4.876 0.305 543 HB2 LEU 74 1HB LEU 74 2.951 -4.149 1.193 544 HB3 LEU 74 2HB LEU 74 4.317 -3.077 1.495 545 HG LEU 74 HG LEU 74 3.337 -3.975 -1.215 546 HD11 LEU 74 1HD1 LEU 74 1.866 -2.327 -1.014 547 HD12 LEU 74 2HD1 LEU 74 3.221 -1.200 -0.971 548 HD13 LEU 74 3HD1 LEU 74 2.549 -1.827 0.534 549 HD21 LEU 74 3HD2 LEU 74 4.934 -2.239 -2.029 550 HD22 LEU 74 1HD2 LEU 74 5.705 -3.649 -1.302 551 HD23 LEU 74 2HD2 LEU 74 5.585 -2.143 -0.392 552 H GLN 75 H GLN 75 3.467 -5.755 2.926 553 HA GLN 75 HA GLN 75 4.782 -4.886 5.122 554 HB2 GLN 75 1HB GLN 75 3.413 -7.553 4.754 555 HB3 GLN 75 2HB GLN 75 3.893 -6.906 6.317 556 HG2 GLN 75 1HG GLN 75 2.471 -4.874 5.709 557 HG3 GLN 75 2HG GLN 75 1.799 -5.889 4.434 558 HE21 GLN 75 2HE2 GLN 75 -0.503 -7.315 6.553 559 HE22 GLN 75 1HE2 GLN 75 -0.040 -6.794 4.973 560 H ALA 76 H ALA 76 5.792 -7.441 3.002 561 HA ALA 76 HA ALA 76 7.726 -8.583 4.776 562 HB1 ALA 76 3HB ALA 76 7.601 -10.199 3.262 563 HB2 ALA 76 1HB ALA 76 6.678 -9.155 2.181 564 HB3 ALA 76 2HB ALA 76 8.441 -9.159 2.112 565 H LEU 77 H LEU 77 8.281 -6.963 1.649 566 HA LEU 77 HA LEU 77 10.967 -6.415 2.034 567 HB2 LEU 77 1HB LEU 77 10.575 -4.541 0.370 568 HB3 LEU 77 2HB LEU 77 10.136 -6.171 -0.137 569 HG LEU 77 HG LEU 77 7.752 -5.381 0.741 570 HD11 LEU 77 1HD1 LEU 77 7.408 -3.183 0.919 571 HD12 LEU 77 2HD1 LEU 77 8.393 -2.821 -0.498 572 HD13 LEU 77 3HD1 LEU 77 9.160 -3.053 1.072 573 HD21 LEU 77 3HD2 LEU 77 8.733 -4.446 -1.941 574 HD22 LEU 77 1HD2 LEU 77 7.138 -5.059 -1.504 575 HD23 LEU 77 2HD2 LEU 77 8.518 -6.155 -1.558 576 H SER 78 H SER 78 8.157 -4.392 2.803 577 HA SER 78 HA SER 78 9.653 -2.182 3.754 578 HB2 SER 78 1HB SER 78 7.403 -1.756 3.126 579 HB3 SER 78 2HB SER 78 6.790 -3.049 4.156 580 HG SER 78 HG SER 78 6.781 -1.722 5.784 581 H SER 79 H SER 79 10.177 -1.551 5.835 582 HA SER 79 HA SER 79 11.212 -2.068 7.837 583 HB2 SER 79 1HB SER 79 8.750 -1.386 8.243 584 HB3 SER 79 2HB SER 79 8.487 -3.091 8.606 585 HG SER 79 HG SER 79 9.195 -1.415 10.332 586 H ARG 80 H ARG 80 12.007 -4.041 6.283 587 HA ARG 80 HA ARG 80 11.330 -6.625 6.533 588 HB2 ARG 80 1HB ARG 80 13.987 -5.276 6.460 589 HB3 ARG 80 2HB ARG 80 13.947 -7.003 6.789 590 HG2 ARG 80 1HG ARG 80 12.789 -7.407 4.704 591 HG3 ARG 80 2HG ARG 80 12.718 -5.673 4.384 592 HD2 ARG 80 1HD ARG 80 15.084 -5.540 4.153 593 HD3 ARG 80 2HD ARG 80 15.295 -7.183 4.759 594 HE ARG 80 HE ARG 80 13.705 -7.010 2.366 595 HH11 ARG 80 2HH1 ARG 80 16.923 -7.277 3.666 596 HH12 ARG 80 1HH1 ARG 80 17.583 -7.995 2.234 597 HH21 ARG 80 1HH2 ARG 80 16.238 -8.380 0.419 598 HH22 ARG 80 2HH2 ARG 80 14.561 -7.955 0.475 599 H LEU 81 H LEU 81 10.409 -7.404 8.359 600 HA LEU 81 HA LEU 81 11.287 -6.866 10.983 601 HB2 LEU 81 1HB LEU 81 9.429 -8.798 9.710 602 HB3 LEU 81 2HB LEU 81 9.972 -9.146 11.350 603 HG LEU 81 HG LEU 81 8.746 -6.498 10.651 604 HD11 LEU 81 1HD1 LEU 81 7.093 -8.688 11.804 605 HD12 LEU 81 2HD1 LEU 81 7.337 -8.633 10.059 606 HD13 LEU 81 3HD1 LEU 81 6.602 -7.262 10.889 607 HD21 LEU 81 3HD2 LEU 81 9.769 -6.462 12.762 608 HD22 LEU 81 1HD2 LEU 81 9.202 -8.083 13.161 609 HD23 LEU 81 2HD2 LEU 81 8.059 -6.741 13.093 610 H GLN 82 H GLN 82 11.665 -9.797 8.987 611 HA GLN 82 HA GLN 82 14.324 -10.256 9.832 612 HB2 GLN 82 1HB GLN 82 12.738 -10.913 11.846 613 HB3 GLN 82 2HB GLN 82 12.529 -12.385 10.906 614 HG2 GLN 82 1HG GLN 82 14.262 -12.822 12.429 615 HG3 GLN 82 2HG GLN 82 15.038 -12.578 10.865 616 HE21 GLN 82 2HE2 GLN 82 16.803 -10.723 13.606 617 HE22 GLN 82 1HE2 GLN 82 16.249 -12.351 13.443 618 H THR 83 H THR 83 15.322 -11.850 8.633 619 HA THR 83 HA THR 83 13.783 -12.829 6.367 620 HB THR 83 HB THR 83 16.012 -11.765 6.026 621 HG1 THR 83 1HG THR 83 15.898 -12.961 4.292 622 HG21 THR 83 3HG2 THR 83 17.467 -14.203 6.773 623 HG22 THR 83 1HG2 THR 83 16.832 -13.284 8.137 624 HG23 THR 83 2HG2 THR 83 17.912 -12.509 6.978 625 H GLU 84 H GLU 84 13.295 -14.921 5.961 626 HA GLU 84 HA GLU 84 14.307 -16.950 7.839 627 HB2 GLU 84 1HB GLU 84 11.956 -16.299 8.349 628 HB3 GLU 84 2HB GLU 84 11.497 -16.821 6.734 629 HG2 GLU 84 1HG GLU 84 12.599 -19.073 7.475 630 HG3 GLU 84 2HG GLU 84 12.301 -18.444 9.095 631 H ASN 85 H ASN 85 12.504 -16.636 4.775 632 HA ASN 85 HA ASN 85 13.866 -19.027 3.778 633 HB2 ASN 85 1HB ASN 85 11.630 -17.504 2.435 634 HB3 ASN 85 2HB ASN 85 12.170 -19.145 2.095 635 HD21 ASN 85 2HD2 ASN 85 9.160 -18.677 4.518 636 HD22 ASN 85 1HD2 ASN 85 9.677 -17.607 3.263 637 H SER 86 H SER 86 15.370 -18.968 2.218 638 HA SER 86 HA SER 86 16.299 -16.375 1.314 639 HB2 SER 86 1HB SER 86 17.386 -19.163 1.258 640 HB3 SER 86 2HB SER 86 18.039 -17.970 0.135 641 HG SER 86 HG SER 86 18.339 -16.620 2.065 642 H GLY 87 H GLY 87 15.399 -15.476 -0.415 643 HA2 GLY 87 1HA GLY 87 14.327 -15.251 -2.441 644 HA3 GLY 87 2HA GLY 87 15.521 -16.422 -2.981 645 HA PRO 88 HA PRO 88 12.090 -19.010 -3.980 646 HB2 PRO 88 2HB PRO 88 13.465 -19.948 -5.564 647 HB3 PRO 88 1HB PRO 88 13.482 -21.298 -4.424 648 HG2 PRO 88 1HG PRO 88 15.531 -20.681 -3.526 649 HG3 PRO 88 2HG PRO 88 15.754 -20.144 -5.201 650 HD2 PRO 88 1HD PRO 88 16.055 -18.480 -3.086 651 HD3 PRO 88 2HD PRO 88 15.455 -17.923 -4.662 652 H SER 89 H SER 89 10.904 -20.771 -3.136 653 HA SER 89 HA SER 89 11.417 -21.263 -0.319 654 HB2 SER 89 1HB SER 89 9.123 -20.700 -1.431 655 HB3 SER 89 2HB SER 89 9.093 -22.416 -1.835 656 HG SER 89 HG SER 89 8.108 -22.199 0.134 657 H SER 90 H SER 90 12.794 -22.848 0.149 658 HA SER 90 HA SER 90 12.869 -25.244 -1.530 659 HB2 SER 90 1HB SER 90 14.950 -25.776 -0.293 660 HB3 SER 90 2HB SER 90 15.021 -24.191 -1.064 661 HG SER 90 HG SER 90 15.774 -24.050 1.058 662 H GLY 91 H GLY 91 12.438 -27.286 -0.774 663 HA2 GLY 91 1HA GLY 91 11.911 -27.770 2.022 664 HA3 GLY 91 2HA GLY 91 10.464 -27.759 1.024 Start of MODEL 14 1 H1 GLY 1 H GLY 1 11.049 18.224 -8.605 2 HA2 GLY 1 1HA GLY 1 13.746 18.509 -8.355 3 HA3 GLY 1 2HA GLY 1 13.109 19.502 -7.053 4 H SER 2 H SER 2 14.356 16.575 -7.674 5 HA SER 2 HA SER 2 13.619 15.475 -5.186 6 HB2 SER 2 1HB SER 2 11.477 14.995 -6.173 7 HB3 SER 2 2HB SER 2 12.236 14.313 -7.612 8 HG SER 2 HG SER 2 11.440 12.853 -5.814 9 H SER 3 H SER 3 15.184 14.118 -4.582 10 HA SER 3 HA SER 3 16.953 13.048 -6.677 11 HB2 SER 3 1HB SER 3 17.493 13.840 -3.815 12 HB3 SER 3 2HB SER 3 18.630 12.882 -4.762 13 HG SER 3 HG SER 3 17.806 15.546 -5.133 14 H GLY 4 H GLY 4 16.211 11.041 -7.111 15 HA2 GLY 4 1HA GLY 4 14.959 9.292 -5.332 16 HA3 GLY 4 2HA GLY 4 15.775 8.808 -6.811 17 H SER 5 H SER 5 15.885 8.851 -3.401 18 HA SER 5 HA SER 5 18.657 8.444 -3.008 19 HB2 SER 5 1HB SER 5 17.990 7.598 -0.772 20 HB3 SER 5 2HB SER 5 17.216 9.132 -1.168 21 HG SER 5 HG SER 5 15.429 7.695 -1.952 22 H SER 6 H SER 6 19.854 6.578 -2.755 23 HA SER 6 HA SER 6 19.238 4.403 -4.391 24 HB2 SER 6 1HB SER 6 21.180 3.300 -3.377 25 HB3 SER 6 2HB SER 6 21.536 4.994 -3.716 26 HG SER 6 HG SER 6 20.862 5.319 -1.425 27 H GLY 7 H GLY 7 18.858 4.834 -0.901 28 HA2 GLY 7 1HA GLY 7 17.898 2.144 -0.502 29 HA3 GLY 7 2HA GLY 7 17.935 3.430 0.696 30 H MET 8 H MET 8 15.807 1.520 0.113 31 HA MET 8 HA MET 8 13.700 3.374 -0.782 32 HB2 MET 8 1HB MET 8 13.841 1.425 -2.211 33 HB3 MET 8 2HB MET 8 13.771 0.353 -0.819 34 HG2 MET 8 1HG MET 8 11.490 1.621 -0.412 35 HG3 MET 8 2HG MET 8 11.611 1.885 -2.150 36 HE1 MET 8 3HE MET 8 9.058 -0.951 -1.010 37 HE2 MET 8 1HE MET 8 10.145 -0.980 0.379 38 HE3 MET 8 2HE MET 8 9.595 0.562 -0.277 39 H GLU 9 H GLU 9 12.567 4.210 0.834 40 HA GLU 9 HA GLU 9 12.615 3.162 3.474 41 HB2 GLU 9 1HB GLU 9 10.622 5.160 2.417 42 HB3 GLU 9 2HB GLU 9 11.204 4.982 4.066 43 HG2 GLU 9 1HG GLU 9 12.755 5.991 1.696 44 HG3 GLU 9 2HG GLU 9 12.204 6.922 3.087 45 HA PRO 10 HA PRO 10 9.275 0.313 3.451 46 HB2 PRO 10 2HB PRO 10 9.874 -0.211 5.606 47 HB3 PRO 10 1HB PRO 10 8.348 0.596 5.987 48 HG2 PRO 10 1HG PRO 10 9.396 2.587 6.558 49 HG3 PRO 10 2HG PRO 10 10.635 1.427 7.072 50 HD2 PRO 10 1HD PRO 10 11.151 3.435 5.330 51 HD3 PRO 10 2HD PRO 10 11.980 1.866 5.252 52 H VAL 11 H VAL 11 7.157 0.272 2.915 53 HA VAL 11 HA VAL 11 5.752 2.548 2.235 54 HB VAL 11 HB VAL 11 4.563 -0.120 3.010 55 HG11 VAL 11 1HG1 VAL 11 3.180 2.153 2.629 56 HG12 VAL 11 2HG1 VAL 11 3.297 1.586 0.962 57 HG13 VAL 11 3HG1 VAL 11 2.568 0.557 2.196 58 HG21 VAL 11 3HG2 VAL 11 5.556 0.911 0.355 59 HG22 VAL 11 1HG2 VAL 11 6.238 -0.413 1.301 60 HG23 VAL 11 2HG2 VAL 11 4.638 -0.579 0.577 61 H GLU 12 H GLU 12 5.803 0.806 5.287 62 HA GLU 12 HA GLU 12 3.591 1.930 6.537 63 HB2 GLU 12 1HB GLU 12 4.430 1.083 8.519 64 HB3 GLU 12 2HB GLU 12 5.261 0.089 7.331 65 HG2 GLU 12 1HG GLU 12 7.252 1.437 7.539 66 HG3 GLU 12 2HG GLU 12 6.426 2.534 8.643 67 H THR 13 H THR 13 6.584 3.367 5.666 68 HA THR 13 HA THR 13 6.101 5.674 7.417 69 HB THR 13 HB THR 13 8.364 6.387 6.907 70 HG1 THR 13 1HG THR 13 8.707 4.033 5.360 71 HG21 THR 13 3HG2 THR 13 8.022 3.517 7.729 72 HG22 THR 13 1HG2 THR 13 8.337 4.925 8.743 73 HG23 THR 13 2HG2 THR 13 9.608 4.287 7.701 74 H TRP 14 H TRP 14 6.014 4.645 4.122 75 HA TRP 14 HA TRP 14 6.368 6.914 2.650 76 HB2 TRP 14 1HB TRP 14 4.362 4.687 2.340 77 HB3 TRP 14 2HB TRP 14 4.492 5.988 1.160 78 HD1 TRP 14 HD TRP 14 7.879 5.325 2.357 79 HE1 TRP 14 1HE TRP 14 9.160 3.800 0.726 80 HE3 TRP 14 3HE TRP 14 3.950 3.673 -0.466 81 HZ2 TRP 14 2HZ TRP 14 8.581 2.119 -1.467 82 HZ3 TRP 14 3HZ TRP 14 4.398 2.109 -2.311 83 HH2 TRP 14 HH TRP 14 6.667 1.349 -2.800 84 H THR 15 H THR 15 4.797 8.418 1.693 85 HA THR 15 HA THR 15 3.006 9.442 3.760 86 HB THR 15 HB THR 15 2.831 11.353 1.928 87 HG1 THR 15 1HG THR 15 4.285 9.884 0.569 88 HG21 THR 15 3HG2 THR 15 4.421 12.564 3.137 89 HG22 THR 15 1HG2 THR 15 5.423 11.143 3.427 90 HG23 THR 15 2HG2 THR 15 3.892 11.332 4.282 91 HA PRO 16 HA PRO 16 -0.752 8.356 1.771 92 HB2 PRO 16 2HB PRO 16 -1.853 9.416 3.487 93 HB3 PRO 16 1HB PRO 16 -2.290 10.551 2.204 94 HG2 PRO 16 1HG PRO 16 -0.636 12.065 2.806 95 HG3 PRO 16 2HG PRO 16 -1.033 11.392 4.398 96 HD2 PRO 16 1HD PRO 16 1.483 11.381 3.399 97 HD3 PRO 16 2HD PRO 16 0.875 10.102 4.468 98 H GLY 17 H GLY 17 1.294 10.575 0.458 99 HA2 GLY 17 1HA GLY 17 -0.538 11.315 -1.724 100 HA3 GLY 17 2HA GLY 17 0.987 12.109 -1.363 101 H LYS 18 H LYS 18 2.179 9.327 -0.988 102 HA LYS 18 HA LYS 18 2.928 8.995 -3.777 103 HB2 LYS 18 1HB LYS 18 3.980 7.550 -1.340 104 HB3 LYS 18 2HB LYS 18 4.701 7.564 -2.944 105 HG2 LYS 18 1HG LYS 18 5.430 9.759 -2.736 106 HG3 LYS 18 2HG LYS 18 4.301 10.111 -1.426 107 HD2 LYS 18 1HD LYS 18 6.364 9.926 -0.349 108 HD3 LYS 18 2HD LYS 18 5.616 8.347 -0.095 109 HE2 LYS 18 1HE LYS 18 6.983 7.317 -1.688 110 HE3 LYS 18 2HE LYS 18 7.438 8.853 -2.423 111 HZ1 LYS 18 3HZ LYS 18 9.007 9.244 -0.858 112 HZ2 LYS 18 1HZ LYS 18 9.023 7.554 -0.776 113 HZ3 LYS 18 2HZ LYS 18 8.163 8.448 0.374 114 H VAL 19 H VAL 19 1.249 7.253 -1.235 115 HA VAL 19 HA VAL 19 1.117 4.701 -2.210 116 HB VAL 19 HB VAL 19 -1.111 6.282 -0.925 117 HG11 VAL 19 1HG1 VAL 19 -1.057 3.587 -2.009 118 HG12 VAL 19 2HG1 VAL 19 -1.488 3.622 -0.298 119 HG13 VAL 19 3HG1 VAL 19 -2.423 4.559 -1.464 120 HG21 VAL 19 3HG2 VAL 19 1.331 5.398 0.096 121 HG22 VAL 19 1HG2 VAL 19 -0.064 5.966 1.013 122 HG23 VAL 19 2HG2 VAL 19 0.137 4.244 0.690 123 H ALA 20 H ALA 20 -0.761 7.500 -3.265 124 HA ALA 20 HA ALA 20 -2.577 6.220 -4.944 125 HB1 ALA 20 3HB ALA 20 -1.743 8.903 -4.428 126 HB2 ALA 20 1HB ALA 20 -1.894 8.665 -6.169 127 HB3 ALA 20 2HB ALA 20 -3.263 8.323 -5.109 128 H THR 21 H THR 21 0.789 7.017 -5.428 129 HA THR 21 HA THR 21 0.764 6.533 -8.260 130 HB THR 21 HB THR 21 3.098 6.728 -6.347 131 HG1 THR 21 1HG THR 21 2.597 8.779 -6.446 132 HG21 THR 21 3HG2 THR 21 4.008 5.655 -8.189 133 HG22 THR 21 1HG2 THR 21 4.247 7.352 -8.602 134 HG23 THR 21 2HG2 THR 21 2.914 6.449 -9.321 135 H TRP 22 H TRP 22 1.152 4.623 -5.405 136 HA TRP 22 HA TRP 22 2.344 2.393 -6.840 137 HB2 TRP 22 1HB TRP 22 3.090 2.860 -4.551 138 HB3 TRP 22 2HB TRP 22 1.447 2.634 -3.959 139 HD1 TRP 22 HD TRP 22 4.491 0.680 -5.170 140 HE1 TRP 22 1HE TRP 22 4.161 -1.808 -4.598 141 HE3 TRP 22 3HE TRP 22 -0.371 0.847 -3.596 142 HZ2 TRP 22 2HZ TRP 22 2.111 -3.478 -3.611 143 HZ3 TRP 22 3HZ TRP 22 -1.442 -1.240 -2.855 144 HH2 TRP 22 HH TRP 22 -0.226 -3.357 -2.863 145 H LEU 23 H LEU 23 -0.762 3.541 -5.979 146 HA LEU 23 HA LEU 23 -2.046 0.949 -6.110 147 HB2 LEU 23 1HB LEU 23 -2.949 3.753 -5.645 148 HB3 LEU 23 2HB LEU 23 -4.131 2.536 -6.124 149 HG LEU 23 HG LEU 23 -2.357 2.303 -3.696 150 HD11 LEU 23 1HD1 LEU 23 -3.905 3.331 -2.410 151 HD12 LEU 23 2HD1 LEU 23 -5.253 2.815 -3.422 152 HD13 LEU 23 3HD1 LEU 23 -4.253 4.179 -3.917 153 HD21 LEU 23 3HD2 LEU 23 -3.009 0.157 -4.036 154 HD22 LEU 23 1HD2 LEU 23 -4.436 0.619 -4.964 155 HD23 LEU 23 2HD2 LEU 23 -4.455 0.731 -3.204 156 H ARG 24 H ARG 24 -1.686 3.813 -8.134 157 HA ARG 24 HA ARG 24 -3.477 2.982 -10.170 158 HB2 ARG 24 1HB ARG 24 -2.550 4.771 -11.489 159 HB3 ARG 24 2HB ARG 24 -2.718 5.329 -9.829 160 HG2 ARG 24 1HG ARG 24 -0.635 6.108 -10.257 161 HG3 ARG 24 2HG ARG 24 -0.208 4.492 -9.690 162 HD2 ARG 24 1HD ARG 24 -0.279 3.751 -12.094 163 HD3 ARG 24 2HD ARG 24 -0.429 5.451 -12.536 164 HE ARG 24 HE ARG 24 1.819 4.922 -10.837 165 HH11 ARG 24 2HH1 ARG 24 0.673 4.907 -14.125 166 HH12 ARG 24 1HH1 ARG 24 2.253 5.090 -14.814 167 HH21 ARG 24 1HH2 ARG 24 4.089 5.233 -13.452 168 HH22 ARG 24 2HH2 ARG 24 3.903 5.162 -11.732 169 H GLY 25 H GLY 25 -0.216 2.159 -9.394 170 HA2 GLY 25 1HA GLY 25 0.410 1.157 -12.041 171 HA3 GLY 25 2HA GLY 25 1.429 1.048 -10.613 172 H LEU 26 H LEU 26 -0.796 -0.112 -9.025 173 HA LEU 26 HA LEU 26 -0.190 -2.780 -9.182 174 HB2 LEU 26 1HB LEU 26 -2.485 -1.241 -8.107 175 HB3 LEU 26 2HB LEU 26 -2.682 -2.986 -8.259 176 HG LEU 26 HG LEU 26 -0.274 -1.934 -6.851 177 HD11 LEU 26 1HD1 LEU 26 -1.484 -0.819 -5.357 178 HD12 LEU 26 2HD1 LEU 26 -2.150 -2.374 -4.857 179 HD13 LEU 26 3HD1 LEU 26 -3.001 -1.394 -6.051 180 HD21 LEU 26 3HD2 LEU 26 -1.926 -4.208 -5.911 181 HD22 LEU 26 1HD2 LEU 26 -0.173 -4.014 -5.944 182 HD23 LEU 26 2HD2 LEU 26 -1.043 -4.416 -7.424 183 H ASP 27 H ASP 27 -2.939 -1.135 -10.726 184 HA ASP 27 HA ASP 27 -2.861 -2.778 -13.023 185 HB2 ASP 27 1HB ASP 27 -3.908 -4.236 -11.081 186 HB3 ASP 27 2HB ASP 27 -5.359 -3.319 -11.476 187 H ASP 28 H ASP 28 -4.757 -2.371 -14.470 188 HA ASP 28 HA ASP 28 -5.403 0.433 -14.395 189 HB2 ASP 28 1HB ASP 28 -6.055 -1.776 -16.347 190 HB3 ASP 28 2HB ASP 28 -6.618 -0.120 -16.553 191 H SER 29 H SER 29 -7.052 -2.590 -13.788 192 HA SER 29 HA SER 29 -9.704 -1.727 -13.887 193 HB2 SER 29 1HB SER 29 -10.257 -3.692 -12.667 194 HB3 SER 29 2HB SER 29 -8.840 -4.112 -13.629 195 HG SER 29 HG SER 29 -9.143 -4.127 -10.952 196 H LEU 30 H LEU 30 -7.225 -0.957 -11.670 197 HA LEU 30 HA LEU 30 -9.181 0.068 -9.726 198 HB2 LEU 30 1HB LEU 30 -6.235 -0.166 -9.229 199 HB3 LEU 30 2HB LEU 30 -7.548 -0.070 -8.057 200 HG LEU 30 HG LEU 30 -7.196 -2.451 -9.858 201 HD11 LEU 30 1HD1 LEU 30 -6.255 -2.626 -7.072 202 HD12 LEU 30 2HD1 LEU 30 -5.230 -1.713 -8.179 203 HD13 LEU 30 3HD1 LEU 30 -5.635 -3.392 -8.535 204 HD21 LEU 30 3HD2 LEU 30 -9.075 -1.641 -7.852 205 HD22 LEU 30 1HD2 LEU 30 -8.235 -3.101 -7.331 206 HD23 LEU 30 2HD2 LEU 30 -9.085 -3.077 -8.877 207 H GLN 31 H GLN 31 -6.876 0.965 -12.083 208 HA GLN 31 HA GLN 31 -5.934 3.409 -11.202 209 HB2 GLN 31 1HB GLN 31 -6.510 2.253 -13.890 210 HB3 GLN 31 2HB GLN 31 -6.161 3.974 -13.786 211 HG2 GLN 31 1HG GLN 31 -4.037 3.460 -12.668 212 HG3 GLN 31 2HG GLN 31 -4.385 1.740 -12.830 213 HE21 GLN 31 2HE2 GLN 31 -2.155 2.584 -15.585 214 HE22 GLN 31 1HE2 GLN 31 -2.096 2.491 -13.861 215 H ASP 32 H ASP 32 -9.135 2.517 -12.020 216 HA ASP 32 HA ASP 32 -10.104 5.119 -12.695 217 HB2 ASP 32 1HB ASP 32 -11.533 3.526 -13.526 218 HB3 ASP 32 2HB ASP 32 -11.315 2.455 -12.144 219 H TYR 33 H TYR 33 -10.211 3.126 -9.757 220 HA TYR 33 HA TYR 33 -11.728 4.716 -8.116 221 HB2 TYR 33 1HB TYR 33 -9.364 2.948 -7.549 222 HB3 TYR 33 2HB TYR 33 -10.164 3.829 -6.252 223 HD1 TYR 33 1HD TYR 33 -10.603 1.215 -8.818 224 HD2 TYR 33 2HD TYR 33 -12.288 3.131 -5.413 225 HE1 TYR 33 1HE TYR 33 -12.281 -0.575 -8.649 226 HE2 TYR 33 2HE TYR 33 -13.971 1.346 -5.234 227 HH TYR 33 HH TYR 33 -14.688 -0.595 -6.037 228 HA PRO 34 HA PRO 34 -9.467 8.497 -7.766 229 HB2 PRO 34 2HB PRO 34 -11.489 9.469 -7.272 230 HB3 PRO 34 1HB PRO 34 -10.812 9.518 -5.641 231 HG2 PRO 34 1HG PRO 34 -11.964 7.619 -4.968 232 HG3 PRO 34 2HG PRO 34 -13.132 8.298 -6.116 233 HD2 PRO 34 1HD PRO 34 -12.175 5.775 -6.334 234 HD3 PRO 34 2HD PRO 34 -12.618 6.754 -7.747 235 H PHE 35 H PHE 35 -7.541 7.223 -7.090 236 HA PHE 35 HA PHE 35 -7.036 6.613 -4.379 237 HB2 PHE 35 1HB PHE 35 -5.053 7.182 -6.593 238 HB3 PHE 35 2HB PHE 35 -4.692 6.382 -5.066 239 HD1 PHE 35 2HD PHE 35 -6.851 4.505 -4.727 240 HD2 PHE 35 1HD PHE 35 -4.799 5.640 -8.279 241 HE1 PHE 35 2HE PHE 35 -7.403 2.331 -5.737 242 HE2 PHE 35 1HE PHE 35 -5.348 3.468 -9.295 243 HZ PHE 35 HZ PHE 35 -6.651 1.809 -8.023 244 H GLU 36 H GLU 36 -6.202 9.416 -6.384 245 HA GLU 36 HA GLU 36 -4.671 10.805 -4.507 246 HB2 GLU 36 1HB GLU 36 -5.257 11.265 -7.059 247 HB3 GLU 36 2HB GLU 36 -6.451 12.337 -6.342 248 HG2 GLU 36 1HG GLU 36 -4.387 13.180 -4.956 249 HG3 GLU 36 2HG GLU 36 -3.485 12.509 -6.313 250 H ASP 37 H ASP 37 -7.992 10.110 -4.511 251 HA ASP 37 HA ASP 37 -8.657 12.354 -2.758 252 HB2 ASP 37 1HB ASP 37 -10.488 10.176 -3.778 253 HB3 ASP 37 2HB ASP 37 -10.960 11.700 -3.033 254 H TRP 38 H TRP 38 -7.900 9.000 -2.653 255 HA TRP 38 HA TRP 38 -9.189 8.246 -0.279 256 HB2 TRP 38 1HB TRP 38 -6.751 7.253 -1.724 257 HB3 TRP 38 2HB TRP 38 -7.184 6.587 -0.152 258 HD1 TRP 38 HD TRP 38 -9.928 7.512 -2.641 259 HE1 TRP 38 1HE TRP 38 -11.087 5.355 -3.433 260 HE3 TRP 38 3HE TRP 38 -6.791 4.079 -0.517 261 HZ2 TRP 38 2HZ TRP 38 -10.721 2.567 -3.189 262 HZ3 TRP 38 3HZ TRP 38 -7.266 1.687 -0.844 263 HH2 TRP 38 HH TRP 38 -9.191 0.948 -2.152 264 H GLN 39 H GLN 39 -6.024 9.725 -0.846 265 HA GLN 39 HA GLN 39 -4.490 10.649 0.563 266 HB2 GLN 39 1HB GLN 39 -7.124 11.375 1.792 267 HB3 GLN 39 2HB GLN 39 -5.630 11.822 2.605 268 HG2 GLN 39 1HG GLN 39 -4.967 12.839 0.329 269 HG3 GLN 39 2HG GLN 39 -6.690 12.743 -0.032 270 HE21 GLN 39 2HE2 GLN 39 -7.383 15.696 1.587 271 HE22 GLN 39 1HE2 GLN 39 -7.755 14.531 0.366 272 H LEU 40 H LEU 40 -4.897 7.869 0.913 273 HA LEU 40 HA LEU 40 -4.879 7.397 3.783 274 HB2 LEU 40 1HB LEU 40 -6.069 5.851 2.304 275 HB3 LEU 40 2HB LEU 40 -4.560 5.488 1.471 276 HG LEU 40 HG LEU 40 -3.727 4.655 3.751 277 HD11 LEU 40 1HD1 LEU 40 -6.573 5.216 4.312 278 HD12 LEU 40 2HD1 LEU 40 -5.177 5.232 5.388 279 HD13 LEU 40 3HD1 LEU 40 -5.923 3.699 4.936 280 HD21 LEU 40 3HD2 LEU 40 -5.110 3.426 1.638 281 HD22 LEU 40 1HD2 LEU 40 -5.753 2.728 3.125 282 HD23 LEU 40 2HD2 LEU 40 -4.020 2.671 2.802 283 HA PRO 41 HA PRO 41 -0.444 7.866 3.863 284 HB2 PRO 41 2HB PRO 41 -0.742 8.886 5.900 285 HB3 PRO 41 1HB PRO 41 -0.167 7.330 6.510 286 HG2 PRO 41 1HG PRO 41 -2.314 6.577 6.975 287 HG3 PRO 41 2HG PRO 41 -2.521 8.311 7.281 288 HD2 PRO 41 1HD PRO 41 -4.072 6.944 5.532 289 HD3 PRO 41 2HD PRO 41 -3.651 8.654 5.301 290 H GLY 42 H GLY 42 1.276 6.481 3.768 291 HA2 GLY 42 1HA GLY 42 1.018 3.848 3.146 292 HA3 GLY 42 2HA GLY 42 2.471 4.509 3.881 293 H LYS 43 H LYS 43 2.027 4.946 6.388 294 HA LYS 43 HA LYS 43 2.180 2.646 7.758 295 HB2 LYS 43 1HB LYS 43 1.075 3.909 9.712 296 HB3 LYS 43 2HB LYS 43 2.537 4.589 9.009 297 HG2 LYS 43 1HG LYS 43 -0.030 5.507 7.871 298 HG3 LYS 43 2HG LYS 43 0.350 6.031 9.513 299 HD2 LYS 43 1HD LYS 43 2.704 6.539 8.369 300 HD3 LYS 43 2HD LYS 43 1.674 6.699 6.944 301 HE2 LYS 43 1HE LYS 43 0.228 8.243 8.345 302 HE3 LYS 43 2HE LYS 43 1.540 8.243 9.523 303 HZ1 LYS 43 3HZ LYS 43 3.020 9.049 7.740 304 HZ2 LYS 43 1HZ LYS 43 1.768 10.131 8.094 305 HZ3 LYS 43 2HZ LYS 43 1.687 9.168 6.706 306 H ASN 44 H ASN 44 -0.813 4.167 6.699 307 HA ASN 44 HA ASN 44 -2.476 2.219 8.029 308 HB2 ASN 44 1HB ASN 44 -2.930 4.625 6.332 309 HB3 ASN 44 2HB ASN 44 -4.210 3.417 6.392 310 HD21 ASN 44 2HD2 ASN 44 -5.051 4.015 9.760 311 HD22 ASN 44 1HD2 ASN 44 -5.041 2.833 8.499 312 H LEU 45 H LEU 45 -1.268 2.814 4.779 313 HA LEU 45 HA LEU 45 -2.816 1.144 3.256 314 HB2 LEU 45 1HB LEU 45 -0.998 2.579 2.408 315 HB3 LEU 45 2HB LEU 45 0.179 1.443 3.063 316 HG LEU 45 HG LEU 45 -0.682 -0.284 1.516 317 HD11 LEU 45 1HD1 LEU 45 -2.365 1.989 0.476 318 HD12 LEU 45 2HD1 LEU 45 -2.938 0.488 1.203 319 HD13 LEU 45 3HD1 LEU 45 -2.119 0.454 -0.358 320 HD21 LEU 45 3HD2 LEU 45 0.528 2.270 0.601 321 HD22 LEU 45 1HD2 LEU 45 0.037 1.097 -0.621 322 HD23 LEU 45 2HD2 LEU 45 1.202 0.639 0.622 323 H LEU 46 H LEU 46 -0.229 0.273 5.470 324 HA LEU 46 HA LEU 46 -0.381 -2.532 4.739 325 HB2 LEU 46 1HB LEU 46 1.234 -1.071 6.820 326 HB3 LEU 46 2HB LEU 46 1.331 -2.806 6.530 327 HG LEU 46 HG LEU 46 1.957 -0.751 4.419 328 HD11 LEU 46 1HD1 LEU 46 4.115 -2.220 5.824 329 HD12 LEU 46 2HD1 LEU 46 3.387 -0.843 6.650 330 HD13 LEU 46 3HD1 LEU 46 4.131 -0.628 5.066 331 HD21 LEU 46 3HD2 LEU 46 1.384 -3.056 3.695 332 HD22 LEU 46 1HD2 LEU 46 2.733 -3.654 4.662 333 HD23 LEU 46 2HD2 LEU 46 3.036 -2.581 3.296 334 H GLN 47 H GLN 47 -1.908 -0.409 6.895 335 HA GLN 47 HA GLN 47 -2.668 -2.573 8.721 336 HB2 GLN 47 1HB GLN 47 -2.936 0.425 8.909 337 HB3 GLN 47 2HB GLN 47 -3.693 -0.675 10.053 338 HG2 GLN 47 1HG GLN 47 -1.239 -1.612 10.248 339 HG3 GLN 47 2HG GLN 47 -0.828 0.005 9.680 340 HE21 GLN 47 2HE2 GLN 47 -2.397 -0.567 13.400 341 HE22 GLN 47 1HE2 GLN 47 -2.505 -1.793 12.188 342 H LEU 48 H LEU 48 -3.722 -1.283 5.906 343 HA LEU 48 HA LEU 48 -6.446 -0.800 6.266 344 HB2 LEU 48 1HB LEU 48 -4.725 -1.599 3.986 345 HB3 LEU 48 2HB LEU 48 -6.466 -1.794 3.797 346 HG LEU 48 HG LEU 48 -4.998 0.781 4.363 347 HD11 LEU 48 1HD1 LEU 48 -5.960 -0.555 1.929 348 HD12 LEU 48 2HD1 LEU 48 -4.695 0.656 2.141 349 HD13 LEU 48 3HD1 LEU 48 -6.387 1.150 2.074 350 HD21 LEU 48 3HD2 LEU 48 -7.697 1.180 3.588 351 HD22 LEU 48 1HD2 LEU 48 -6.910 1.623 5.104 352 HD23 LEU 48 2HD2 LEU 48 -7.680 0.044 4.939 353 H CYS 49 H CYS 49 -8.120 -2.308 5.070 354 HA CYS 49 HA CYS 49 -7.745 -5.121 5.362 355 HB2 CYS 49 1HB CYS 49 -9.775 -5.120 7.095 356 HB3 CYS 49 2HB CYS 49 -8.096 -5.084 7.620 357 HG CYS 49 HG CYS 49 -10.104 -3.264 8.918 358 HA PRO 50 HA PRO 50 -11.152 -5.266 2.606 359 HB2 PRO 50 2HB PRO 50 -10.830 -7.538 2.472 360 HB3 PRO 50 1HB PRO 50 -12.387 -7.580 3.308 361 HG2 PRO 50 1HG PRO 50 -11.406 -7.923 5.384 362 HG3 PRO 50 2HG PRO 50 -10.248 -8.779 4.350 363 HD2 PRO 50 1HD PRO 50 -9.505 -6.794 6.034 364 HD3 PRO 50 2HD PRO 50 -8.684 -7.092 4.489 365 H GLN 51 H GLN 51 -11.707 -5.128 5.986 366 HA GLN 51 HA GLN 51 -14.590 -4.916 5.758 367 HB2 GLN 51 1HB GLN 51 -13.566 -6.008 7.719 368 HB3 GLN 51 2HB GLN 51 -12.787 -4.491 8.148 369 HG2 GLN 51 1HG GLN 51 -14.793 -4.939 9.483 370 HG3 GLN 51 2HG GLN 51 -14.921 -3.452 8.544 371 HE21 GLN 51 2HE2 GLN 51 -17.412 -6.585 7.869 372 HE22 GLN 51 1HE2 GLN 51 -16.031 -6.730 8.896 373 H SER 52 H SER 52 -11.818 -2.834 5.931 374 HA SER 52 HA SER 52 -13.459 -0.473 6.423 375 HB2 SER 52 1HB SER 52 -11.044 -0.999 7.366 376 HB3 SER 52 2HB SER 52 -10.533 -0.304 5.828 377 HG SER 52 HG SER 52 -11.130 1.021 7.956 378 H LEU 53 H LEU 53 -11.440 -1.892 3.895 379 HA LEU 53 HA LEU 53 -11.315 0.094 2.034 380 HB2 LEU 53 1HB LEU 53 -11.597 -2.862 1.826 381 HB3 LEU 53 2HB LEU 53 -11.715 -1.899 0.355 382 HG LEU 53 HG LEU 53 -9.358 -1.573 2.169 383 HD11 LEU 53 1HD1 LEU 53 -8.364 -3.493 1.576 384 HD12 LEU 53 2HD1 LEU 53 -9.029 -3.454 -0.056 385 HD13 LEU 53 3HD1 LEU 53 -10.010 -4.054 1.281 386 HD21 LEU 53 3HD2 LEU 53 -10.180 -0.746 -0.498 387 HD22 LEU 53 1HD2 LEU 53 -8.572 -1.470 -0.465 388 HD23 LEU 53 2HD2 LEU 53 -8.936 -0.083 0.562 389 H GLU 54 H GLU 54 -14.088 -1.964 2.756 390 HA GLU 54 HA GLU 54 -15.764 -1.348 0.655 391 HB2 GLU 54 1HB GLU 54 -16.578 -1.670 3.549 392 HB3 GLU 54 2HB GLU 54 -17.625 -1.864 2.150 393 HG2 GLU 54 1HG GLU 54 -15.913 -3.677 1.440 394 HG3 GLU 54 2HG GLU 54 -15.445 -3.643 3.139 395 H ALA 55 H ALA 55 -15.030 0.551 3.523 396 HA ALA 55 HA ALA 55 -17.030 2.500 3.263 397 HB1 ALA 55 3HB ALA 55 -15.892 2.445 5.310 398 HB2 ALA 55 1HB ALA 55 -14.311 2.534 4.534 399 HB3 ALA 55 2HB ALA 55 -15.366 3.947 4.550 400 H LEU 56 H LEU 56 -13.949 2.101 1.659 401 HA LEU 56 HA LEU 56 -14.079 4.740 0.449 402 HB2 LEU 56 1HB LEU 56 -12.121 2.532 -0.140 403 HB3 LEU 56 2HB LEU 56 -11.944 4.250 -0.494 404 HG LEU 56 HG LEU 56 -12.000 3.065 2.280 405 HD11 LEU 56 1HD1 LEU 56 -9.665 4.001 0.619 406 HD12 LEU 56 2HD1 LEU 56 -10.023 2.332 1.062 407 HD13 LEU 56 3HD1 LEU 56 -9.597 3.504 2.310 408 HD21 LEU 56 3HD2 LEU 56 -10.756 5.549 2.285 409 HD22 LEU 56 1HD2 LEU 56 -12.366 5.170 2.897 410 HD23 LEU 56 2HD2 LEU 56 -12.166 5.760 1.247 411 H ALA 57 H ALA 57 -16.145 2.706 -0.110 412 HA ALA 57 HA ALA 57 -17.420 2.066 -1.886 413 HB1 ALA 57 3HB ALA 57 -17.530 3.745 -3.329 414 HB2 ALA 57 1HB ALA 57 -15.938 4.314 -2.826 415 HB3 ALA 57 2HB ALA 57 -16.083 3.135 -4.131 416 H VAL 58 H VAL 58 -15.082 0.525 -1.001 417 HA VAL 58 HA VAL 58 -14.567 -0.974 -3.488 418 HB VAL 58 HB VAL 58 -12.735 -0.727 -1.097 419 HG11 VAL 58 1HG1 VAL 58 -11.454 -1.804 -3.391 420 HG12 VAL 58 2HG1 VAL 58 -11.719 -2.563 -1.820 421 HG13 VAL 58 3HG1 VAL 58 -12.925 -2.731 -3.098 422 HG21 VAL 58 3HG2 VAL 58 -11.340 0.644 -2.399 423 HG22 VAL 58 1HG2 VAL 58 -12.200 0.250 -3.887 424 HG23 VAL 58 2HG2 VAL 58 -12.966 1.270 -2.669 425 H ARG 59 H ARG 59 -16.427 -2.264 -3.098 426 HA ARG 59 HA ARG 59 -16.254 -4.042 -0.762 427 HB2 ARG 59 1HB ARG 59 -18.571 -3.363 -2.578 428 HB3 ARG 59 2HB ARG 59 -18.634 -4.610 -1.339 429 HG2 ARG 59 1HG ARG 59 -18.392 -3.025 0.401 430 HG3 ARG 59 2HG ARG 59 -17.966 -1.744 -0.736 431 HD2 ARG 59 1HD ARG 59 -20.160 -1.595 -1.558 432 HD3 ARG 59 2HD ARG 59 -20.617 -3.147 -0.855 433 HE ARG 59 HE ARG 59 -19.923 -1.511 1.259 434 HH11 ARG 59 2HH1 ARG 59 -22.292 -1.525 -1.291 435 HH12 ARG 59 1HH1 ARG 59 -23.476 -0.655 -0.374 436 HH21 ARG 59 1HH2 ARG 59 -23.009 0.005 1.770 437 HH22 ARG 59 2HH2 ARG 59 -21.473 -0.365 2.478 438 H SER 60 H SER 60 -16.451 -3.967 -4.267 439 HA SER 60 HA SER 60 -16.897 -6.623 -4.856 440 HB2 SER 60 1HB SER 60 -15.028 -4.727 -6.298 441 HB3 SER 60 2HB SER 60 -15.698 -6.214 -6.968 442 HG SER 60 HG SER 60 -16.963 -3.776 -6.409 443 H LEU 61 H LEU 61 -15.884 -8.408 -4.255 444 HA LEU 61 HA LEU 61 -13.518 -8.538 -2.826 445 HB2 LEU 61 1HB LEU 61 -15.393 -10.310 -3.350 446 HB3 LEU 61 2HB LEU 61 -14.263 -10.806 -4.608 447 HG LEU 61 HG LEU 61 -14.082 -12.156 -2.551 448 HD11 LEU 61 1HD1 LEU 61 -11.625 -10.482 -3.031 449 HD12 LEU 61 2HD1 LEU 61 -12.160 -11.789 -4.087 450 HD13 LEU 61 3HD1 LEU 61 -11.693 -12.136 -2.423 451 HD21 LEU 61 3HD2 LEU 61 -13.505 -11.298 -0.490 452 HD22 LEU 61 1HD2 LEU 61 -14.586 -10.049 -1.107 453 HD23 LEU 61 2HD2 LEU 61 -12.839 -9.814 -1.174 454 H GLY 62 H GLY 62 -13.984 -9.277 -6.288 455 HA2 GLY 62 1HA GLY 62 -11.490 -9.941 -7.090 456 HA3 GLY 62 2HA GLY 62 -12.538 -8.915 -8.058 457 H HIS 63 H HIS 63 -12.599 -6.564 -6.803 458 HA HIS 63 HA HIS 63 -10.150 -5.378 -7.467 459 HB2 HIS 63 1HB HIS 63 -12.485 -4.394 -5.830 460 HB3 HIS 63 2HB HIS 63 -11.088 -3.383 -6.184 461 HD1 HIS 63 1HD HIS 63 -14.212 -3.216 -7.222 462 HD2 HIS 63 2HD HIS 63 -10.797 -4.179 -9.383 463 HE1 HIS 63 1HE HIS 63 -14.771 -2.714 -9.622 464 HE2 HIS 63 2HE HIS 63 -12.720 -3.385 -10.920 465 H GLN 64 H GLN 64 -11.527 -6.176 -4.290 466 HA GLN 64 HA GLN 64 -9.518 -5.144 -2.681 467 HB2 GLN 64 1HB GLN 64 -11.435 -7.426 -2.352 468 HB3 GLN 64 2HB GLN 64 -10.218 -7.113 -1.122 469 HG2 GLN 64 1HG GLN 64 -11.120 -5.022 -0.595 470 HG3 GLN 64 2HG GLN 64 -12.076 -4.966 -2.075 471 HE21 GLN 64 2HE2 GLN 64 -14.727 -5.780 0.068 472 HE22 GLN 64 1HE2 GLN 64 -13.913 -4.517 -0.785 473 H GLU 65 H GLU 65 -9.733 -8.319 -4.236 474 HA GLU 65 HA GLU 65 -7.428 -9.442 -3.099 475 HB2 GLU 65 1HB GLU 65 -9.087 -9.994 -5.508 476 HB3 GLU 65 2HB GLU 65 -7.491 -10.728 -5.435 477 HG2 GLU 65 1HG GLU 65 -8.106 -11.674 -3.215 478 HG3 GLU 65 2HG GLU 65 -9.741 -11.068 -3.470 479 H LEU 66 H LEU 66 -7.886 -7.471 -5.991 480 HA LEU 66 HA LEU 66 -5.338 -7.713 -7.097 481 HB2 LEU 66 1HB LEU 66 -7.425 -5.570 -7.173 482 HB3 LEU 66 2HB LEU 66 -5.858 -5.314 -7.939 483 HG LEU 66 HG LEU 66 -7.542 -7.698 -8.628 484 HD11 LEU 66 1HD1 LEU 66 -9.125 -6.196 -9.239 485 HD12 LEU 66 2HD1 LEU 66 -8.090 -6.064 -10.661 486 HD13 LEU 66 3HD1 LEU 66 -7.974 -4.866 -9.372 487 HD21 LEU 66 3HD2 LEU 66 -5.159 -7.581 -9.320 488 HD22 LEU 66 1HD2 LEU 66 -5.536 -6.116 -10.228 489 HD23 LEU 66 2HD2 LEU 66 -6.287 -7.649 -10.675 490 H ILE 67 H ILE 67 -6.564 -5.174 -4.913 491 HA ILE 67 HA ILE 67 -4.018 -3.953 -4.572 492 HB ILE 67 HB ILE 67 -6.487 -3.730 -2.847 493 HG12 ILE 67 1HG1 ILE 67 -5.477 -1.935 -5.064 494 HG13 ILE 67 2HG1 ILE 67 -6.828 -3.054 -5.205 495 HG21 ILE 67 1HG2 ILE 67 -4.358 -1.647 -3.011 496 HG22 ILE 67 2HG2 ILE 67 -5.516 -1.973 -1.722 497 HG23 ILE 67 3HG2 ILE 67 -4.132 -3.041 -1.955 498 HD11 ILE 67 3HD1 ILE 67 -7.039 -1.168 -2.977 499 HD12 ILE 67 1HD1 ILE 67 -7.045 -0.430 -4.579 500 HD13 ILE 67 2HD1 ILE 67 -8.239 -1.664 -4.171 501 H LEU 68 H LEU 68 -6.022 -5.880 -2.334 502 HA LEU 68 HA LEU 68 -4.262 -6.076 -0.229 503 HB2 LEU 68 1HB LEU 68 -6.303 -7.996 -1.299 504 HB3 LEU 68 2HB LEU 68 -5.358 -8.367 0.142 505 HG LEU 68 HG LEU 68 -7.264 -6.051 -0.198 506 HD11 LEU 68 1HD1 LEU 68 -8.843 -7.424 0.525 507 HD12 LEU 68 2HD1 LEU 68 -7.890 -7.784 1.965 508 HD13 LEU 68 3HD1 LEU 68 -7.691 -8.760 0.509 509 HD21 LEU 68 3HD2 LEU 68 -5.248 -6.733 1.876 510 HD22 LEU 68 1HD2 LEU 68 -6.797 -6.077 2.406 511 HD23 LEU 68 2HD2 LEU 68 -5.786 -5.157 1.292 512 H GLY 69 H GLY 69 -4.299 -7.907 -3.234 513 HA2 GLY 69 1HA GLY 69 -2.472 -9.916 -2.557 514 HA3 GLY 69 2HA GLY 69 -2.748 -9.306 -4.182 515 H GLY 70 H GLY 70 -1.948 -6.566 -3.423 516 HA2 GLY 70 1HA GLY 70 0.913 -6.964 -3.762 517 HA3 GLY 70 2HA GLY 70 0.044 -5.444 -3.918 518 H VAL 71 H VAL 71 -1.279 -5.497 -1.410 519 HA VAL 71 HA VAL 71 0.629 -4.272 0.223 520 HB VAL 71 HB VAL 71 -1.988 -5.511 1.088 521 HG11 VAL 71 1HG1 VAL 71 -1.007 -5.049 3.094 522 HG12 VAL 71 2HG1 VAL 71 0.007 -3.766 2.430 523 HG13 VAL 71 3HG1 VAL 71 -1.703 -3.467 2.745 524 HG21 VAL 71 3HG2 VAL 71 -2.072 -2.668 0.843 525 HG22 VAL 71 1HG2 VAL 71 -1.493 -3.361 -0.672 526 HG23 VAL 71 2HG2 VAL 71 -3.037 -3.881 0.003 527 H GLU 72 H GLU 72 -0.671 -7.567 0.282 528 HA GLU 72 HA GLU 72 0.512 -8.461 2.634 529 HB2 GLU 72 1HB GLU 72 0.317 -10.730 1.665 530 HB3 GLU 72 2HB GLU 72 -1.153 -9.784 1.479 531 HG2 GLU 72 1HG GLU 72 -0.746 -9.424 -0.819 532 HG3 GLU 72 2HG GLU 72 0.905 -10.029 -0.693 533 H GLN 73 H GLN 73 1.878 -7.971 -0.537 534 HA GLN 73 HA GLN 73 4.301 -9.418 0.011 535 HB2 GLN 73 1HB GLN 73 3.521 -7.529 -2.211 536 HB3 GLN 73 2HB GLN 73 5.077 -8.345 -2.129 537 HG2 GLN 73 1HG GLN 73 2.518 -9.893 -2.056 538 HG3 GLN 73 2HG GLN 73 3.225 -9.362 -3.581 539 HE21 GLN 73 2HE2 GLN 73 5.512 -11.935 -3.722 540 HE22 GLN 73 1HE2 GLN 73 4.682 -10.631 -4.493 541 H LEU 74 H LEU 74 3.281 -6.041 0.007 542 HA LEU 74 HA LEU 74 5.805 -4.871 0.380 543 HB2 LEU 74 1HB LEU 74 3.036 -3.979 1.137 544 HB3 LEU 74 2HB LEU 74 4.463 -2.980 1.407 545 HG LEU 74 HG LEU 74 3.512 -3.951 -1.287 546 HD11 LEU 74 1HD1 LEU 74 2.526 -1.860 0.337 547 HD12 LEU 74 2HD1 LEU 74 2.115 -2.234 -1.337 548 HD13 LEU 74 3HD1 LEU 74 3.438 -1.123 -0.981 549 HD21 LEU 74 3HD2 LEU 74 5.126 -2.019 -1.944 550 HD22 LEU 74 1HD2 LEU 74 5.778 -3.613 -1.561 551 HD23 LEU 74 2HD2 LEU 74 5.839 -2.323 -0.359 552 H GLN 75 H GLN 75 3.301 -5.679 2.785 553 HA GLN 75 HA GLN 75 4.364 -4.905 5.113 554 HB2 GLN 75 1HB GLN 75 3.132 -7.588 4.492 555 HB3 GLN 75 2HB GLN 75 3.488 -7.053 6.129 556 HG2 GLN 75 1HG GLN 75 1.794 -5.397 4.303 557 HG3 GLN 75 2HG GLN 75 1.111 -6.742 5.214 558 HE21 GLN 75 2HE2 GLN 75 0.457 -4.486 7.762 559 HE22 GLN 75 1HE2 GLN 75 -0.153 -5.587 6.580 560 H ALA 76 H ALA 76 5.625 -7.465 3.094 561 HA ALA 76 HA ALA 76 7.470 -8.488 5.019 562 HB1 ALA 76 3HB ALA 76 8.525 -9.290 2.674 563 HB2 ALA 76 1HB ALA 76 7.180 -10.103 3.474 564 HB3 ALA 76 2HB ALA 76 6.868 -8.952 2.173 565 H LEU 77 H LEU 77 8.187 -6.875 1.920 566 HA LEU 77 HA LEU 77 10.819 -6.212 2.536 567 HB2 LEU 77 1HB LEU 77 10.540 -4.458 0.742 568 HB3 LEU 77 2HB LEU 77 10.173 -6.119 0.281 569 HG LEU 77 HG LEU 77 7.708 -5.377 0.854 570 HD11 LEU 77 1HD1 LEU 77 7.351 -3.213 1.170 571 HD12 LEU 77 2HD1 LEU 77 8.206 -2.812 -0.319 572 HD13 LEU 77 3HD1 LEU 77 9.097 -2.962 1.195 573 HD21 LEU 77 3HD2 LEU 77 9.282 -4.819 -1.642 574 HD22 LEU 77 1HD2 LEU 77 7.539 -4.564 -1.557 575 HD23 LEU 77 2HD2 LEU 77 8.208 -6.175 -1.294 576 H SER 78 H SER 78 7.914 -4.854 3.686 577 HA SER 78 HA SER 78 9.189 -2.337 4.451 578 HB2 SER 78 1HB SER 78 6.869 -2.361 3.481 579 HB3 SER 78 2HB SER 78 6.331 -3.206 4.933 580 HG SER 78 HG SER 78 7.533 -1.240 5.944 581 H SER 79 H SER 79 8.366 -5.406 5.735 582 HA SER 79 HA SER 79 8.605 -4.457 8.496 583 HB2 SER 79 1HB SER 79 6.720 -5.929 8.084 584 HB3 SER 79 2HB SER 79 7.781 -7.147 7.377 585 HG SER 79 HG SER 79 8.423 -7.737 9.316 586 H ARG 80 H ARG 80 9.760 -7.335 6.733 587 HA ARG 80 HA ARG 80 11.747 -8.441 6.759 588 HB2 ARG 80 1HB ARG 80 12.553 -5.609 7.220 589 HB3 ARG 80 2HB ARG 80 13.761 -6.861 7.475 590 HG2 ARG 80 1HG ARG 80 13.637 -7.575 5.227 591 HG3 ARG 80 2HG ARG 80 12.173 -6.632 4.936 592 HD2 ARG 80 1HD ARG 80 14.894 -5.493 5.568 593 HD3 ARG 80 2HD ARG 80 14.174 -5.583 3.961 594 HE ARG 80 HE ARG 80 12.476 -4.211 5.781 595 HH11 ARG 80 2HH1 ARG 80 15.349 -3.846 3.848 596 HH12 ARG 80 1HH1 ARG 80 15.177 -2.130 3.682 597 HH21 ARG 80 1HH2 ARG 80 13.408 -1.054 4.662 598 HH22 ARG 80 2HH2 ARG 80 12.239 -1.952 5.569 599 H LEU 81 H LEU 81 10.183 -8.811 8.978 600 HA LEU 81 HA LEU 81 12.201 -9.428 10.977 601 HB2 LEU 81 1HB LEU 81 9.918 -7.553 11.406 602 HB3 LEU 81 2HB LEU 81 10.465 -8.573 12.734 603 HG LEU 81 HG LEU 81 12.428 -6.851 11.278 604 HD11 LEU 81 1HD1 LEU 81 11.689 -4.924 12.117 605 HD12 LEU 81 2HD1 LEU 81 11.327 -5.646 13.685 606 HD13 LEU 81 3HD1 LEU 81 10.155 -5.756 12.372 607 HD21 LEU 81 3HD2 LEU 81 12.335 -8.482 13.678 608 HD22 LEU 81 1HD2 LEU 81 12.923 -6.849 13.995 609 HD23 LEU 81 2HD2 LEU 81 13.724 -7.856 12.787 610 H GLN 82 H GLN 82 11.938 -11.499 11.448 611 HA GLN 82 HA GLN 82 10.999 -13.529 11.856 612 HB2 GLN 82 1HB GLN 82 8.670 -11.755 12.583 613 HB3 GLN 82 2HB GLN 82 8.633 -13.502 12.777 614 HG2 GLN 82 1HG GLN 82 9.181 -12.491 14.875 615 HG3 GLN 82 2HG GLN 82 10.597 -13.344 14.262 616 HE21 GLN 82 2HE2 GLN 82 12.634 -10.559 14.254 617 HE22 GLN 82 1HE2 GLN 82 12.448 -12.266 14.062 618 H THR 83 H THR 83 11.063 -12.663 9.195 619 HA THR 83 HA THR 83 8.509 -13.302 7.983 620 HB THR 83 HB THR 83 9.996 -11.554 7.014 621 HG1 THR 83 1HG THR 83 9.813 -13.567 5.066 622 HG21 THR 83 3HG2 THR 83 12.056 -13.169 7.448 623 HG22 THR 83 1HG2 THR 83 12.071 -11.978 6.149 624 HG23 THR 83 2HG2 THR 83 11.699 -13.665 5.794 625 H GLU 84 H GLU 84 7.889 -15.268 7.375 626 HA GLU 84 HA GLU 84 9.926 -17.288 6.766 627 HB2 GLU 84 1HB GLU 84 7.762 -17.459 8.824 628 HB3 GLU 84 2HB GLU 84 8.239 -18.915 7.962 629 HG2 GLU 84 1HG GLU 84 10.614 -18.383 8.663 630 HG3 GLU 84 2HG GLU 84 9.914 -17.185 9.751 631 H ASN 85 H ASN 85 9.545 -18.220 4.873 632 HA ASN 85 HA ASN 85 7.141 -17.688 3.421 633 HB2 ASN 85 1HB ASN 85 9.155 -17.807 2.154 634 HB3 ASN 85 2HB ASN 85 9.571 -19.378 2.831 635 HD21 ASN 85 2HD2 ASN 85 7.686 -19.242 -0.599 636 HD22 ASN 85 1HD2 ASN 85 8.624 -17.977 0.112 637 H SER 86 H SER 86 5.303 -18.690 3.918 638 HA SER 86 HA SER 86 5.104 -21.144 5.275 639 HB2 SER 86 1HB SER 86 3.151 -19.472 3.716 640 HB3 SER 86 2HB SER 86 2.676 -21.045 4.356 641 HG SER 86 HG SER 86 3.615 -18.798 5.810 642 H GLY 87 H GLY 87 5.017 -23.213 4.612 643 HA2 GLY 87 1HA GLY 87 4.259 -24.781 2.852 644 HA3 GLY 87 2HA GLY 87 5.012 -23.694 1.695 645 HA PRO 88 HA PRO 88 8.452 -26.121 4.150 646 HB2 PRO 88 2HB PRO 88 7.562 -27.072 6.042 647 HB3 PRO 88 1HB PRO 88 7.626 -28.541 5.061 648 HG2 PRO 88 1HG PRO 88 5.378 -28.416 4.498 649 HG3 PRO 88 2HG PRO 88 5.328 -27.713 6.125 650 HD2 PRO 88 1HD PRO 88 4.369 -26.417 3.950 651 HD3 PRO 88 2HD PRO 88 5.095 -25.563 5.327 652 H SER 89 H SER 89 5.941 -27.763 2.300 653 HA SER 89 HA SER 89 7.964 -29.396 0.948 654 HB2 SER 89 1HB SER 89 4.942 -29.529 0.794 655 HB3 SER 89 2HB SER 89 6.063 -30.657 0.031 656 HG SER 89 HG SER 89 5.238 -31.408 2.056 657 H SER 90 H SER 90 8.877 -28.473 -0.759 658 HA SER 90 HA SER 90 7.789 -26.294 -2.182 659 HB2 SER 90 1HB SER 90 9.664 -26.561 -3.696 660 HB3 SER 90 2HB SER 90 10.223 -26.828 -2.045 661 HG SER 90 HG SER 90 10.475 -28.450 -4.089 662 H GLY 91 H GLY 91 5.952 -26.462 -3.306 663 HA2 GLY 91 1HA GLY 91 4.532 -27.087 -5.004 664 HA3 GLY 91 2HA GLY 91 5.839 -28.067 -5.652 Start of MODEL 15 1 H1 GLY 1 H GLY 1 24.842 15.032 9.948 2 HA2 GLY 1 1HA GLY 1 27.220 16.131 9.001 3 HA3 GLY 1 2HA GLY 1 27.067 14.527 9.703 4 H SER 2 H SER 2 28.516 13.543 8.322 5 HA SER 2 HA SER 2 27.658 13.380 5.506 6 HB2 SER 2 1HB SER 2 29.916 14.527 6.060 7 HB3 SER 2 2HB SER 2 30.494 12.893 6.387 8 HG SER 2 HG SER 2 30.369 14.055 4.066 9 H SER 3 H SER 3 26.386 11.557 5.780 10 HA SER 3 HA SER 3 27.846 9.062 5.920 11 HB2 SER 3 1HB SER 3 27.215 9.643 8.305 12 HB3 SER 3 2HB SER 3 25.529 9.477 7.815 13 HG SER 3 HG SER 3 27.048 7.571 8.642 14 H GLY 4 H GLY 4 26.345 7.173 5.500 15 HA2 GLY 4 1HA GLY 4 24.110 8.033 3.768 16 HA3 GLY 4 2HA GLY 4 25.235 6.772 3.285 17 H SER 5 H SER 5 25.043 4.717 4.140 18 HA SER 5 HA SER 5 23.719 2.923 4.712 19 HB2 SER 5 1HB SER 5 24.915 3.815 6.837 20 HB3 SER 5 2HB SER 5 23.311 4.368 7.318 21 HG SER 5 HG SER 5 23.759 2.271 8.107 22 H SER 6 H SER 6 22.201 4.670 3.229 23 HA SER 6 HA SER 6 19.633 4.818 4.654 24 HB2 SER 6 1HB SER 6 18.937 6.391 2.891 25 HB3 SER 6 2HB SER 6 20.408 6.941 3.693 26 HG SER 6 HG SER 6 21.400 6.828 1.852 27 H GLY 7 H GLY 7 18.197 3.281 4.249 28 HA2 GLY 7 1HA GLY 7 18.389 1.834 1.682 29 HA3 GLY 7 2HA GLY 7 17.808 1.121 3.180 30 H MET 8 H MET 8 16.080 0.565 1.479 31 HA MET 8 HA MET 8 14.295 2.504 0.532 32 HB2 MET 8 1HB MET 8 14.460 0.060 -0.153 33 HB3 MET 8 2HB MET 8 13.530 -0.313 1.292 34 HG2 MET 8 1HG MET 8 11.891 1.486 0.290 35 HG3 MET 8 2HG MET 8 12.687 1.034 -1.215 36 HE1 MET 8 3HE MET 8 9.330 0.023 -1.243 37 HE2 MET 8 1HE MET 8 9.128 -0.595 0.397 38 HE3 MET 8 2HE MET 8 9.845 0.995 0.137 39 H GLU 9 H GLU 9 12.379 3.334 1.318 40 HA GLU 9 HA GLU 9 12.158 3.408 4.203 41 HB2 GLU 9 1HB GLU 9 11.003 4.943 1.928 42 HB3 GLU 9 2HB GLU 9 10.100 4.920 3.437 43 HG2 GLU 9 1HG GLU 9 11.594 6.863 3.229 44 HG3 GLU 9 2HG GLU 9 11.957 5.857 4.630 45 HA PRO 10 HA PRO 10 9.007 0.360 4.588 46 HB2 PRO 10 2HB PRO 10 9.456 0.398 6.841 47 HB3 PRO 10 1HB PRO 10 7.879 1.194 6.913 48 HG2 PRO 10 1HG PRO 10 8.814 3.314 7.054 49 HG3 PRO 10 2HG PRO 10 10.048 2.375 7.914 50 HD2 PRO 10 1HD PRO 10 10.629 3.932 5.776 51 HD3 PRO 10 2HD PRO 10 11.513 2.435 6.135 52 H VAL 11 H VAL 11 7.098 0.181 3.607 53 HA VAL 11 HA VAL 11 5.618 2.373 2.671 54 HB VAL 11 HB VAL 11 4.758 -0.503 3.005 55 HG11 VAL 11 1HG1 VAL 11 2.782 0.808 2.823 56 HG12 VAL 11 2HG1 VAL 11 3.476 1.788 1.530 57 HG13 VAL 11 3HG1 VAL 11 3.078 0.095 1.238 58 HG21 VAL 11 3HG2 VAL 11 6.076 1.023 0.782 59 HG22 VAL 11 1HG2 VAL 11 6.567 -0.499 1.524 60 HG23 VAL 11 2HG2 VAL 11 5.154 -0.448 0.470 61 H GLU 12 H GLU 12 5.760 1.031 5.757 62 HA GLU 12 HA GLU 12 3.051 1.535 6.555 63 HB2 GLU 12 1HB GLU 12 3.640 0.681 8.606 64 HB3 GLU 12 2HB GLU 12 4.864 -0.068 7.591 65 HG2 GLU 12 1HG GLU 12 6.452 1.687 8.224 66 HG3 GLU 12 2HG GLU 12 5.225 2.407 9.265 67 H THR 13 H THR 13 5.875 3.428 6.191 68 HA THR 13 HA THR 13 4.764 5.570 7.871 69 HB THR 13 HB THR 13 6.972 6.614 7.784 70 HG1 THR 13 1HG THR 13 8.275 6.053 6.225 71 HG21 THR 13 3HG2 THR 13 6.545 3.888 8.810 72 HG22 THR 13 1HG2 THR 13 7.094 5.340 9.646 73 HG23 THR 13 2HG2 THR 13 8.232 4.388 8.692 74 H TRP 14 H TRP 14 5.301 4.617 4.631 75 HA TRP 14 HA TRP 14 5.732 6.861 3.181 76 HB2 TRP 14 1HB TRP 14 3.828 4.582 2.689 77 HB3 TRP 14 2HB TRP 14 4.024 5.880 1.514 78 HD1 TRP 14 HD TRP 14 7.278 5.238 3.116 79 HE1 TRP 14 1HE TRP 14 8.772 3.794 1.596 80 HE3 TRP 14 3HE TRP 14 3.755 3.690 -0.249 81 HZ2 TRP 14 2HZ TRP 14 8.493 2.209 -0.722 82 HZ3 TRP 14 3HZ TRP 14 4.451 2.211 -2.089 83 HH2 TRP 14 HH TRP 14 6.771 1.488 -2.319 84 H THR 15 H THR 15 4.459 8.512 2.254 85 HA THR 15 HA THR 15 2.444 9.544 4.027 86 HB THR 15 HB THR 15 2.315 11.402 2.278 87 HG1 THR 15 1HG THR 15 3.227 10.810 0.450 88 HG21 THR 15 3HG2 THR 15 4.070 12.505 3.268 89 HG22 THR 15 1HG2 THR 15 5.139 11.106 3.186 90 HG23 THR 15 2HG2 THR 15 3.864 11.171 4.402 91 HA PRO 16 HA PRO 16 -1.204 8.177 2.002 92 HB2 PRO 16 2HB PRO 16 -2.385 9.213 3.679 93 HB3 PRO 16 1HB PRO 16 -2.850 10.304 2.368 94 HG2 PRO 16 1HG PRO 16 -1.281 11.904 2.972 95 HG3 PRO 16 2HG PRO 16 -1.676 11.241 4.569 96 HD2 PRO 16 1HD PRO 16 0.857 11.331 3.615 97 HD3 PRO 16 2HD PRO 16 0.289 10.043 4.696 98 H GLY 17 H GLY 17 0.772 10.432 0.672 99 HA2 GLY 17 1HA GLY 17 -1.052 11.008 -1.573 100 HA3 GLY 17 2HA GLY 17 0.373 11.952 -1.169 101 H LYS 18 H LYS 18 1.580 9.077 -0.692 102 HA LYS 18 HA LYS 18 2.621 8.878 -3.411 103 HB2 LYS 18 1HB LYS 18 3.502 7.577 -0.828 104 HB3 LYS 18 2HB LYS 18 4.290 7.337 -2.382 105 HG2 LYS 18 1HG LYS 18 5.127 9.497 -2.437 106 HG3 LYS 18 2HG LYS 18 3.945 10.090 -1.267 107 HD2 LYS 18 1HD LYS 18 5.050 8.676 0.463 108 HD3 LYS 18 2HD LYS 18 6.293 8.275 -0.725 109 HE2 LYS 18 1HE LYS 18 5.673 11.142 -0.207 110 HE3 LYS 18 2HE LYS 18 6.617 10.252 0.987 111 HZ1 LYS 18 3HZ LYS 18 7.902 9.553 -1.208 112 HZ2 LYS 18 1HZ LYS 18 8.295 10.947 -0.333 113 HZ3 LYS 18 2HZ LYS 18 7.333 11.062 -1.719 114 H VAL 19 H VAL 19 0.898 6.956 -1.009 115 HA VAL 19 HA VAL 19 0.919 4.461 -2.152 116 HB VAL 19 HB VAL 19 -1.434 5.803 -0.814 117 HG11 VAL 19 1HG1 VAL 19 -2.471 3.757 -0.614 118 HG12 VAL 19 2HG1 VAL 19 -1.744 3.619 -2.215 119 HG13 VAL 19 3HG1 VAL 19 -0.971 2.855 -0.826 120 HG21 VAL 19 3HG2 VAL 19 -0.341 5.587 1.108 121 HG22 VAL 19 1HG2 VAL 19 -0.055 3.875 0.794 122 HG23 VAL 19 2HG2 VAL 19 1.087 5.083 0.204 123 H ALA 20 H ALA 20 -1.061 7.240 -3.043 124 HA ALA 20 HA ALA 20 -2.813 5.979 -4.816 125 HB1 ALA 20 3HB ALA 20 -2.456 8.470 -5.913 126 HB2 ALA 20 1HB ALA 20 -3.587 8.064 -4.622 127 HB3 ALA 20 2HB ALA 20 -1.995 8.713 -4.228 128 H THR 21 H THR 21 0.519 6.902 -5.173 129 HA THR 21 HA THR 21 0.535 6.674 -8.047 130 HB THR 21 HB THR 21 2.863 6.806 -6.120 131 HG1 THR 21 1HG THR 21 2.830 9.053 -7.122 132 HG21 THR 21 3HG2 THR 21 3.248 5.873 -8.471 133 HG22 THR 21 1HG2 THR 21 4.256 7.230 -7.968 134 HG23 THR 21 2HG2 THR 21 2.886 7.501 -9.046 135 H TRP 22 H TRP 22 1.213 4.618 -5.305 136 HA TRP 22 HA TRP 22 2.417 2.549 -6.938 137 HB2 TRP 22 1HB TRP 22 3.260 2.877 -4.677 138 HB3 TRP 22 2HB TRP 22 1.654 2.596 -4.010 139 HD1 TRP 22 HD TRP 22 4.665 0.755 -5.446 140 HE1 TRP 22 1HE TRP 22 4.398 -1.763 -4.985 141 HE3 TRP 22 3HE TRP 22 -0.129 0.759 -3.672 142 HZ2 TRP 22 2HZ TRP 22 2.416 -3.516 -4.001 143 HZ3 TRP 22 3HZ TRP 22 -1.137 -1.380 -2.992 144 HH2 TRP 22 HH TRP 22 0.110 -3.472 -3.155 145 H LEU 23 H LEU 23 -0.707 3.501 -6.049 146 HA LEU 23 HA LEU 23 -1.859 0.840 -6.216 147 HB2 LEU 23 1HB LEU 23 -2.915 3.577 -5.649 148 HB3 LEU 23 2HB LEU 23 -4.025 2.288 -6.110 149 HG LEU 23 HG LEU 23 -2.139 2.038 -3.779 150 HD11 LEU 23 1HD1 LEU 23 -3.882 4.004 -3.761 151 HD12 LEU 23 2HD1 LEU 23 -3.639 2.990 -2.340 152 HD13 LEU 23 3HD1 LEU 23 -5.015 2.701 -3.403 153 HD21 LEU 23 3HD2 LEU 23 -3.127 -0.018 -4.752 154 HD22 LEU 23 1HD2 LEU 23 -4.731 0.636 -4.418 155 HD23 LEU 23 2HD2 LEU 23 -3.629 0.281 -3.087 156 H ARG 24 H ARG 24 -1.591 3.755 -8.157 157 HA ARG 24 HA ARG 24 -3.415 2.941 -10.184 158 HB2 ARG 24 1HB ARG 24 -2.461 4.781 -11.495 159 HB3 ARG 24 2HB ARG 24 -2.832 5.292 -9.854 160 HG2 ARG 24 1HG ARG 24 -0.777 6.231 -10.095 161 HG3 ARG 24 2HG ARG 24 -0.305 4.656 -9.453 162 HD2 ARG 24 1HD ARG 24 1.087 5.225 -11.349 163 HD3 ARG 24 2HD ARG 24 0.055 3.853 -11.752 164 HE ARG 24 HE ARG 24 -1.264 6.158 -12.577 165 HH11 ARG 24 2HH1 ARG 24 1.656 4.416 -13.322 166 HH12 ARG 24 1HH1 ARG 24 1.695 4.930 -14.976 167 HH21 ARG 24 1HH2 ARG 24 0.057 6.310 -15.789 168 HH22 ARG 24 2HH2 ARG 24 -1.224 6.842 -14.752 169 H GLY 25 H GLY 25 -0.139 2.169 -9.468 170 HA2 GLY 25 1HA GLY 25 0.471 1.281 -12.168 171 HA3 GLY 25 2HA GLY 25 1.536 1.191 -10.773 172 H LEU 26 H LEU 26 -0.544 -0.107 -9.127 173 HA LEU 26 HA LEU 26 0.161 -2.729 -9.328 174 HB2 LEU 26 1HB LEU 26 -2.215 -1.326 -8.245 175 HB3 LEU 26 2HB LEU 26 -2.320 -3.077 -8.417 176 HG LEU 26 HG LEU 26 0.027 -1.920 -6.990 177 HD11 LEU 26 1HD1 LEU 26 -2.711 -1.488 -6.203 178 HD12 LEU 26 2HD1 LEU 26 -1.221 -0.900 -5.465 179 HD13 LEU 26 3HD1 LEU 26 -1.860 -2.483 -5.020 180 HD21 LEU 26 3HD2 LEU 26 -0.312 -4.373 -7.545 181 HD22 LEU 26 1HD2 LEU 26 -1.621 -4.354 -6.363 182 HD23 LEU 26 2HD2 LEU 26 0.028 -3.985 -5.857 183 H ASP 27 H ASP 27 -2.912 -1.438 -10.607 184 HA ASP 27 HA ASP 27 -2.672 -2.957 -13.025 185 HB2 ASP 27 1HB ASP 27 -3.548 -4.527 -11.092 186 HB3 ASP 27 2HB ASP 27 -5.077 -3.716 -11.419 187 H ASP 28 H ASP 28 -4.010 -2.205 -14.622 188 HA ASP 28 HA ASP 28 -5.067 0.365 -14.390 189 HB2 ASP 28 1HB ASP 28 -4.413 -0.613 -16.539 190 HB3 ASP 28 2HB ASP 28 -5.737 -1.770 -16.427 191 H SER 29 H SER 29 -6.565 -2.773 -13.955 192 HA SER 29 HA SER 29 -9.254 -2.026 -14.034 193 HB2 SER 29 1HB SER 29 -8.122 -4.383 -13.818 194 HB3 SER 29 2HB SER 29 -8.301 -4.099 -12.087 195 HG SER 29 HG SER 29 -10.538 -3.815 -12.441 196 H LEU 30 H LEU 30 -6.861 -1.082 -11.871 197 HA LEU 30 HA LEU 30 -8.852 -0.384 -9.816 198 HB2 LEU 30 1HB LEU 30 -5.861 -0.556 -9.504 199 HB3 LEU 30 2HB LEU 30 -7.041 -0.275 -8.226 200 HG LEU 30 HG LEU 30 -6.969 -2.821 -9.828 201 HD11 LEU 30 1HD1 LEU 30 -4.988 -3.216 -8.864 202 HD12 LEU 30 2HD1 LEU 30 -5.931 -3.469 -7.396 203 HD13 LEU 30 3HD1 LEU 30 -5.178 -1.904 -7.701 204 HD21 LEU 30 3HD2 LEU 30 -8.109 -3.672 -7.767 205 HD22 LEU 30 1HD2 LEU 30 -9.037 -2.490 -8.692 206 HD23 LEU 30 2HD2 LEU 30 -8.214 -2.001 -7.211 207 H GLN 31 H GLN 31 -6.471 0.820 -12.026 208 HA GLN 31 HA GLN 31 -5.846 3.303 -11.057 209 HB2 GLN 31 1HB GLN 31 -6.273 2.246 -13.818 210 HB3 GLN 31 2HB GLN 31 -6.029 3.974 -13.603 211 HG2 GLN 31 1HG GLN 31 -3.936 3.354 -12.299 212 HG3 GLN 31 2HG GLN 31 -4.149 1.732 -12.955 213 HE21 GLN 31 2HE2 GLN 31 -2.047 4.188 -15.063 214 HE22 GLN 31 1HE2 GLN 31 -2.208 4.095 -13.345 215 H ASP 32 H ASP 32 -8.929 2.153 -11.995 216 HA ASP 32 HA ASP 32 -10.163 4.605 -12.681 217 HB2 ASP 32 1HB ASP 32 -11.379 2.075 -11.552 218 HB3 ASP 32 2HB ASP 32 -12.286 3.405 -12.266 219 H TYR 33 H TYR 33 -10.118 2.758 -9.637 220 HA TYR 33 HA TYR 33 -11.656 4.447 -8.082 221 HB2 TYR 33 1HB TYR 33 -9.302 2.707 -7.347 222 HB3 TYR 33 2HB TYR 33 -10.269 3.557 -6.146 223 HD1 TYR 33 2HD TYR 33 -12.721 3.008 -5.953 224 HD2 TYR 33 1HD TYR 33 -10.037 0.667 -8.281 225 HE1 TYR 33 2HE TYR 33 -14.330 1.147 -5.927 226 HE2 TYR 33 1HE TYR 33 -11.638 -1.200 -8.262 227 HH TYR 33 HH TYR 33 -13.621 -1.906 -6.563 228 HA PRO 34 HA PRO 34 -9.227 8.151 -7.930 229 HB2 PRO 34 2HB PRO 34 -11.227 9.256 -7.691 230 HB3 PRO 34 1HB PRO 34 -10.684 9.411 -6.017 231 HG2 PRO 34 1HG PRO 34 -11.989 7.632 -5.295 232 HG3 PRO 34 2HG PRO 34 -13.020 8.267 -6.590 233 HD2 PRO 34 1HD PRO 34 -12.187 5.691 -6.521 234 HD3 PRO 34 2HD PRO 34 -12.459 6.567 -8.042 235 H PHE 35 H PHE 35 -7.428 6.866 -6.994 236 HA PHE 35 HA PHE 35 -7.169 6.424 -4.224 237 HB2 PHE 35 1HB PHE 35 -4.921 6.875 -6.193 238 HB3 PHE 35 2HB PHE 35 -4.836 6.003 -4.666 239 HD1 PHE 35 2HD PHE 35 -6.963 4.173 -4.622 240 HD2 PHE 35 1HD PHE 35 -4.698 5.472 -7.984 241 HE1 PHE 35 2HE PHE 35 -7.501 2.076 -5.791 242 HE2 PHE 35 1HE PHE 35 -5.233 3.378 -9.158 243 HZ PHE 35 HZ PHE 35 -6.635 1.675 -8.061 244 H GLU 36 H GLU 36 -6.279 9.143 -6.287 245 HA GLU 36 HA GLU 36 -4.759 10.612 -4.477 246 HB2 GLU 36 1HB GLU 36 -5.421 11.006 -7.020 247 HB3 GLU 36 2HB GLU 36 -6.624 12.063 -6.294 248 HG2 GLU 36 1HG GLU 36 -4.577 13.015 -4.986 249 HG3 GLU 36 2HG GLU 36 -3.656 12.299 -6.307 250 H ASP 37 H ASP 37 -8.078 9.869 -4.409 251 HA ASP 37 HA ASP 37 -8.707 12.105 -2.626 252 HB2 ASP 37 1HB ASP 37 -10.514 9.989 -3.816 253 HB3 ASP 37 2HB ASP 37 -11.044 11.355 -2.838 254 H TRP 38 H TRP 38 -8.318 8.631 -2.665 255 HA TRP 38 HA TRP 38 -9.505 7.857 -0.315 256 HB2 TRP 38 1HB TRP 38 -6.931 6.928 -1.587 257 HB3 TRP 38 2HB TRP 38 -7.626 6.144 -0.171 258 HD1 TRP 38 HD TRP 38 -10.037 7.370 -2.827 259 HE1 TRP 38 1HE TRP 38 -11.057 5.343 -4.041 260 HE3 TRP 38 3HE TRP 38 -7.067 3.687 -0.891 261 HZ2 TRP 38 2HZ TRP 38 -10.656 2.551 -4.162 262 HZ3 TRP 38 3HZ TRP 38 -7.451 1.364 -1.607 263 HH2 TRP 38 HH TRP 38 -9.209 0.810 -3.208 264 H GLN 39 H GLN 39 -6.587 9.713 -0.752 265 HA GLN 39 HA GLN 39 -5.022 10.502 0.736 266 HB2 GLN 39 1HB GLN 39 -7.679 11.101 2.023 267 HB3 GLN 39 2HB GLN 39 -6.164 11.710 2.675 268 HG2 GLN 39 1HG GLN 39 -5.794 13.106 0.870 269 HG3 GLN 39 2HG GLN 39 -6.868 12.190 -0.186 270 HE21 GLN 39 2HE2 GLN 39 -9.461 14.386 0.338 271 HE22 GLN 39 1HE2 GLN 39 -8.580 13.328 -0.705 272 H LEU 40 H LEU 40 -5.347 7.716 1.020 273 HA LEU 40 HA LEU 40 -5.416 7.205 3.889 274 HB2 LEU 40 1HB LEU 40 -6.583 5.628 2.514 275 HB3 LEU 40 2HB LEU 40 -5.162 5.389 1.500 276 HG LEU 40 HG LEU 40 -4.126 4.571 3.806 277 HD11 LEU 40 1HD1 LEU 40 -5.918 3.203 4.956 278 HD12 LEU 40 2HD1 LEU 40 -7.094 4.209 4.111 279 HD13 LEU 40 3HD1 LEU 40 -5.957 4.944 5.242 280 HD21 LEU 40 3HD2 LEU 40 -5.846 2.491 2.688 281 HD22 LEU 40 1HD2 LEU 40 -4.087 2.582 2.785 282 HD23 LEU 40 2HD2 LEU 40 -4.941 3.395 1.473 283 HA PRO 41 HA PRO 41 -0.987 7.687 4.063 284 HB2 PRO 41 2HB PRO 41 -1.328 8.665 6.114 285 HB3 PRO 41 1HB PRO 41 -0.756 7.100 6.704 286 HG2 PRO 41 1HG PRO 41 -2.906 6.325 7.113 287 HG3 PRO 41 2HG PRO 41 -3.130 8.052 7.450 288 HD2 PRO 41 1HD PRO 41 -4.640 6.712 5.645 289 HD3 PRO 41 2HD PRO 41 -4.224 8.428 5.457 290 H GLY 42 H GLY 42 0.832 6.341 4.309 291 HA2 GLY 42 1HA GLY 42 0.587 3.703 3.510 292 HA3 GLY 42 2HA GLY 42 2.007 4.367 4.304 293 H LYS 43 H LYS 43 1.316 4.837 6.812 294 HA LYS 43 HA LYS 43 1.507 2.513 8.173 295 HB2 LYS 43 1HB LYS 43 0.524 3.660 10.126 296 HB3 LYS 43 2HB LYS 43 1.687 4.669 9.275 297 HG2 LYS 43 1HG LYS 43 -0.455 5.557 8.050 298 HG3 LYS 43 2HG LYS 43 -1.267 4.946 9.493 299 HD2 LYS 43 1HD LYS 43 1.118 6.775 9.628 300 HD3 LYS 43 2HD LYS 43 -0.538 7.380 9.540 301 HE2 LYS 43 1HE LYS 43 -0.216 7.331 11.812 302 HE3 LYS 43 2HE LYS 43 -0.917 5.736 11.544 303 HZ1 LYS 43 3HZ LYS 43 0.869 4.942 12.569 304 HZ2 LYS 43 1HZ LYS 43 1.671 6.431 12.522 305 HZ3 LYS 43 2HZ LYS 43 1.772 5.374 11.206 306 H ASN 44 H ASN 44 -1.437 3.902 6.869 307 HA ASN 44 HA ASN 44 -3.129 1.922 8.128 308 HB2 ASN 44 1HB ASN 44 -3.663 4.135 6.145 309 HB3 ASN 44 2HB ASN 44 -4.910 3.008 6.671 310 HD21 ASN 44 2HD2 ASN 44 -5.631 5.471 9.044 311 HD22 ASN 44 1HD2 ASN 44 -6.083 4.748 7.542 312 H LEU 45 H LEU 45 -1.612 2.470 5.025 313 HA LEU 45 HA LEU 45 -3.037 0.780 3.378 314 HB2 LEU 45 1HB LEU 45 -1.248 2.208 2.577 315 HB3 LEU 45 2HB LEU 45 -0.060 1.248 3.456 316 HG LEU 45 HG LEU 45 -0.717 -0.693 1.977 317 HD11 LEU 45 1HD1 LEU 45 -1.702 1.151 -0.081 318 HD12 LEU 45 2HD1 LEU 45 -2.815 0.865 1.256 319 HD13 LEU 45 3HD1 LEU 45 -2.206 -0.493 0.312 320 HD21 LEU 45 3HD2 LEU 45 0.294 1.143 0.008 321 HD22 LEU 45 1HD2 LEU 45 1.120 -0.173 0.844 322 HD23 LEU 45 2HD2 LEU 45 1.055 1.432 1.573 323 H LEU 46 H LEU 46 -0.020 -0.138 5.051 324 HA LEU 46 HA LEU 46 -0.286 -2.890 4.572 325 HB2 LEU 46 1HB LEU 46 1.194 -1.467 6.779 326 HB3 LEU 46 2HB LEU 46 1.403 -3.162 6.346 327 HG LEU 46 HG LEU 46 1.989 -0.870 4.478 328 HD11 LEU 46 1HD1 LEU 46 4.377 -2.079 5.209 329 HD12 LEU 46 2HD1 LEU 46 3.499 -1.881 6.725 330 HD13 LEU 46 3HD1 LEU 46 3.806 -0.483 5.696 331 HD21 LEU 46 3HD2 LEU 46 2.695 -2.407 2.973 332 HD22 LEU 46 1HD2 LEU 46 1.519 -3.417 3.814 333 HD23 LEU 46 2HD2 LEU 46 3.232 -3.540 4.214 334 H GLN 47 H GLN 47 -1.930 -0.853 6.734 335 HA GLN 47 HA GLN 47 -2.771 -3.137 8.387 336 HB2 GLN 47 1HB GLN 47 -2.837 -0.167 8.917 337 HB3 GLN 47 2HB GLN 47 -3.648 -1.345 9.940 338 HG2 GLN 47 1HG GLN 47 -0.737 -1.631 9.349 339 HG3 GLN 47 2HG GLN 47 -1.288 -0.489 10.574 340 HE21 GLN 47 2HE2 GLN 47 -1.619 -2.902 13.003 341 HE22 GLN 47 1HE2 GLN 47 -1.435 -1.244 12.554 342 H LEU 48 H LEU 48 -3.718 -2.106 5.649 343 HA LEU 48 HA LEU 48 -6.371 -1.163 5.998 344 HB2 LEU 48 1HB LEU 48 -4.746 -2.208 3.749 345 HB3 LEU 48 2HB LEU 48 -6.498 -2.227 3.560 346 HG LEU 48 HG LEU 48 -4.863 0.235 4.169 347 HD11 LEU 48 1HD1 LEU 48 -4.678 0.680 1.967 348 HD12 LEU 48 2HD1 LEU 48 -6.220 -0.079 1.572 349 HD13 LEU 48 3HD1 LEU 48 -4.786 -1.075 1.823 350 HD21 LEU 48 3HD2 LEU 48 -7.387 0.781 3.003 351 HD22 LEU 48 1HD2 LEU 48 -6.805 1.208 4.612 352 HD23 LEU 48 2HD2 LEU 48 -7.645 -0.322 4.356 353 H CYS 49 H CYS 49 -8.327 -2.345 5.334 354 HA CYS 49 HA CYS 49 -8.184 -5.241 5.759 355 HB2 CYS 49 1HB CYS 49 -9.705 -3.256 7.401 356 HB3 CYS 49 2HB CYS 49 -10.400 -4.850 7.135 357 HG CYS 49 HG CYS 49 -7.241 -4.501 8.372 358 HA PRO 50 HA PRO 50 -11.114 -5.545 2.511 359 HB2 PRO 50 2HB PRO 50 -10.974 -7.828 2.731 360 HB3 PRO 50 1HB PRO 50 -12.637 -7.649 3.302 361 HG2 PRO 50 1HG PRO 50 -12.015 -7.753 5.537 362 HG3 PRO 50 2HG PRO 50 -10.792 -8.822 4.825 363 HD2 PRO 50 1HD PRO 50 -10.145 -6.667 6.332 364 HD3 PRO 50 2HD PRO 50 -9.127 -7.237 4.993 365 H GLN 51 H GLN 51 -12.268 -5.122 5.762 366 HA GLN 51 HA GLN 51 -14.983 -4.542 4.897 367 HB2 GLN 51 1HB GLN 51 -13.616 -4.891 7.523 368 HB3 GLN 51 2HB GLN 51 -15.081 -3.920 7.477 369 HG2 GLN 51 1HG GLN 51 -16.350 -5.755 6.622 370 HG3 GLN 51 2HG GLN 51 -14.895 -6.728 6.420 371 HE21 GLN 51 2HE2 GLN 51 -14.958 -7.990 9.628 372 HE22 GLN 51 1HE2 GLN 51 -14.306 -8.018 8.028 373 H SER 52 H SER 52 -12.099 -2.873 5.965 374 HA SER 52 HA SER 52 -13.339 -0.334 6.351 375 HB2 SER 52 1HB SER 52 -10.525 -1.332 6.189 376 HB3 SER 52 2HB SER 52 -10.816 0.400 6.025 377 HG SER 52 HG SER 52 -11.225 -1.281 8.226 378 H LEU 53 H LEU 53 -11.577 -1.844 3.680 379 HA LEU 53 HA LEU 53 -11.325 0.295 1.961 380 HB2 LEU 53 1HB LEU 53 -11.641 -2.637 1.589 381 HB3 LEU 53 2HB LEU 53 -11.779 -1.602 0.169 382 HG LEU 53 HG LEU 53 -9.394 -1.293 1.928 383 HD11 LEU 53 1HD1 LEU 53 -9.505 -3.408 -0.201 384 HD12 LEU 53 2HD1 LEU 53 -9.801 -3.765 1.500 385 HD13 LEU 53 3HD1 LEU 53 -8.243 -3.113 0.995 386 HD21 LEU 53 3HD2 LEU 53 -9.860 -1.129 -1.048 387 HD22 LEU 53 1HD2 LEU 53 -8.331 -0.805 -0.230 388 HD23 LEU 53 2HD2 LEU 53 -9.727 0.232 0.067 389 H GLU 54 H GLU 54 -14.157 -1.675 2.632 390 HA GLU 54 HA GLU 54 -15.829 -1.001 0.557 391 HB2 GLU 54 1HB GLU 54 -16.600 -1.256 3.469 392 HB3 GLU 54 2HB GLU 54 -17.698 -1.377 2.102 393 HG2 GLU 54 1HG GLU 54 -16.463 -3.354 1.315 394 HG3 GLU 54 2HG GLU 54 -15.428 -3.248 2.738 395 H ALA 55 H ALA 55 -15.005 0.901 3.404 396 HA ALA 55 HA ALA 55 -16.903 2.938 3.127 397 HB1 ALA 55 3HB ALA 55 -15.934 3.604 5.007 398 HB2 ALA 55 1HB ALA 55 -14.654 2.415 4.762 399 HB3 ALA 55 2HB ALA 55 -14.477 4.047 4.117 400 H LEU 56 H LEU 56 -13.843 2.395 1.514 401 HA LEU 56 HA LEU 56 -13.841 5.011 0.273 402 HB2 LEU 56 1HB LEU 56 -12.082 2.634 -0.302 403 HB3 LEU 56 2HB LEU 56 -11.801 4.300 -0.803 404 HG LEU 56 HG LEU 56 -11.755 3.285 2.039 405 HD11 LEU 56 1HD1 LEU 56 -9.280 4.166 1.599 406 HD12 LEU 56 2HD1 LEU 56 -9.679 3.648 -0.038 407 HD13 LEU 56 3HD1 LEU 56 -9.765 2.498 1.296 408 HD21 LEU 56 3HD2 LEU 56 -11.642 5.988 0.821 409 HD22 LEU 56 1HD2 LEU 56 -10.567 5.655 2.179 410 HD23 LEU 56 2HD2 LEU 56 -12.311 5.467 2.368 411 H ALA 57 H ALA 57 -16.072 3.129 -0.210 412 HA ALA 57 HA ALA 57 -17.437 2.528 -1.930 413 HB1 ALA 57 3HB ALA 57 -16.926 3.604 -4.182 414 HB2 ALA 57 1HB ALA 57 -17.251 4.686 -2.828 415 HB3 ALA 57 2HB ALA 57 -15.592 4.415 -3.362 416 H VAL 58 H VAL 58 -15.254 0.814 -1.212 417 HA VAL 58 HA VAL 58 -14.797 -0.530 -3.796 418 HB VAL 58 HB VAL 58 -12.946 -0.619 -1.411 419 HG11 VAL 58 1HG1 VAL 58 -12.969 -1.926 -4.090 420 HG12 VAL 58 2HG1 VAL 58 -11.422 -1.508 -3.350 421 HG13 VAL 58 3HG1 VAL 58 -12.536 -2.591 -2.515 422 HG21 VAL 58 3HG2 VAL 58 -13.165 1.271 -3.624 423 HG22 VAL 58 1HG2 VAL 58 -12.288 1.405 -2.100 424 HG23 VAL 58 2HG2 VAL 58 -11.560 0.559 -3.465 425 H ARG 59 H ARG 59 -16.946 -1.472 -3.126 426 HA ARG 59 HA ARG 59 -16.892 -3.389 -0.965 427 HB2 ARG 59 1HB ARG 59 -18.956 -2.645 -3.032 428 HB3 ARG 59 2HB ARG 59 -19.190 -3.981 -1.912 429 HG2 ARG 59 1HG ARG 59 -18.479 -1.293 -0.842 430 HG3 ARG 59 2HG ARG 59 -20.132 -1.612 -1.371 431 HD2 ARG 59 1HD ARG 59 -18.591 -3.224 0.661 432 HD3 ARG 59 2HD ARG 59 -19.837 -2.032 1.029 433 HE ARG 59 HE ARG 59 -20.890 -3.958 -0.725 434 HH11 ARG 59 2HH1 ARG 59 -19.817 -3.623 2.570 435 HH12 ARG 59 1HH1 ARG 59 -20.871 -4.857 3.176 436 HH21 ARG 59 1HH2 ARG 59 -22.272 -5.974 1.748 437 HH22 ARG 59 2HH2 ARG 59 -22.282 -5.585 0.061 438 H SER 60 H SER 60 -17.024 -3.488 -4.511 439 HA SER 60 HA SER 60 -17.237 -6.202 -4.921 440 HB2 SER 60 1HB SER 60 -15.425 -4.443 -6.575 441 HB3 SER 60 2HB SER 60 -16.356 -5.844 -7.103 442 HG SER 60 HG SER 60 -18.232 -4.663 -6.865 443 H LEU 61 H LEU 61 -16.124 -7.557 -3.602 444 HA LEU 61 HA LEU 61 -13.570 -7.309 -2.615 445 HB2 LEU 61 1HB LEU 61 -15.315 -9.636 -3.247 446 HB3 LEU 61 2HB LEU 61 -13.635 -9.940 -2.813 447 HG LEU 61 HG LEU 61 -15.816 -8.745 -1.127 448 HD11 LEU 61 1HD1 LEU 61 -13.888 -10.960 -0.491 449 HD12 LEU 61 2HD1 LEU 61 -15.430 -11.242 -1.299 450 HD13 LEU 61 3HD1 LEU 61 -15.399 -10.551 0.323 451 HD21 LEU 61 3HD2 LEU 61 -13.723 -8.709 0.537 452 HD22 LEU 61 1HD2 LEU 61 -14.215 -7.309 -0.417 453 HD23 LEU 61 2HD2 LEU 61 -12.891 -8.332 -0.973 454 H GLY 62 H GLY 62 -14.587 -8.669 -5.722 455 HA2 GLY 62 1HA GLY 62 -12.280 -9.788 -6.663 456 HA3 GLY 62 2HA GLY 62 -13.402 -8.901 -7.685 457 H HIS 63 H HIS 63 -12.878 -6.408 -6.114 458 HA HIS 63 HA HIS 63 -10.454 -5.647 -7.557 459 HB2 HIS 63 1HB HIS 63 -12.787 -4.154 -6.427 460 HB3 HIS 63 2HB HIS 63 -11.266 -3.301 -6.675 461 HD1 HIS 63 1HD HIS 63 -13.935 -2.746 -8.271 462 HD2 HIS 63 2HD HIS 63 -10.723 -5.016 -9.608 463 HE1 HIS 63 1HE HIS 63 -14.089 -2.717 -10.781 464 HE2 HIS 63 2HE HIS 63 -12.185 -4.167 -11.565 465 H GLN 64 H GLN 64 -11.578 -6.265 -4.371 466 HA GLN 64 HA GLN 64 -9.623 -4.704 -2.986 467 HB2 GLN 64 1HB GLN 64 -11.502 -6.903 -2.160 468 HB3 GLN 64 2HB GLN 64 -10.316 -6.241 -1.042 469 HG2 GLN 64 1HG GLN 64 -11.293 -4.013 -1.345 470 HG3 GLN 64 2HG GLN 64 -12.499 -4.703 -2.430 471 HE21 GLN 64 2HE2 GLN 64 -14.641 -5.138 0.236 472 HE22 GLN 64 1HE2 GLN 64 -14.353 -4.553 -1.364 473 H GLU 65 H GLU 65 -9.826 -8.015 -4.138 474 HA GLU 65 HA GLU 65 -7.595 -9.043 -2.758 475 HB2 GLU 65 1HB GLU 65 -9.010 -10.655 -3.693 476 HB3 GLU 65 2HB GLU 65 -9.052 -9.849 -5.255 477 HG2 GLU 65 1HG GLU 65 -7.721 -12.018 -5.052 478 HG3 GLU 65 2HG GLU 65 -6.964 -10.653 -5.871 479 H LEU 66 H LEU 66 -7.905 -7.632 -6.003 480 HA LEU 66 HA LEU 66 -5.357 -7.981 -6.958 481 HB2 LEU 66 1HB LEU 66 -7.426 -5.880 -7.335 482 HB3 LEU 66 2HB LEU 66 -5.811 -5.579 -7.972 483 HG LEU 66 HG LEU 66 -7.310 -8.080 -8.676 484 HD11 LEU 66 1HD1 LEU 66 -8.654 -5.959 -9.141 485 HD12 LEU 66 2HD1 LEU 66 -8.363 -7.052 -10.494 486 HD13 LEU 66 3HD1 LEU 66 -7.408 -5.579 -10.331 487 HD21 LEU 66 3HD2 LEU 66 -4.839 -7.767 -9.128 488 HD22 LEU 66 1HD2 LEU 66 -5.304 -6.507 -10.271 489 HD23 LEU 66 2HD2 LEU 66 -5.843 -8.167 -10.523 490 H ILE 67 H ILE 67 -6.521 -5.445 -4.780 491 HA ILE 67 HA ILE 67 -3.922 -4.201 -4.607 492 HB ILE 67 HB ILE 67 -6.467 -3.720 -3.056 493 HG12 ILE 67 1HG1 ILE 67 -5.102 -2.120 -5.233 494 HG13 ILE 67 2HG1 ILE 67 -6.552 -3.097 -5.438 495 HG21 ILE 67 1HG2 ILE 67 -3.984 -2.017 -3.050 496 HG22 ILE 67 2HG2 ILE 67 -5.439 -1.808 -2.076 497 HG23 ILE 67 3HG2 ILE 67 -4.375 -3.184 -1.787 498 HD11 ILE 67 3HD1 ILE 67 -7.253 -0.854 -5.260 499 HD12 ILE 67 1HD1 ILE 67 -7.649 -1.624 -3.724 500 HD13 ILE 67 2HD1 ILE 67 -6.237 -0.573 -3.846 501 H LEU 68 H LEU 68 -6.046 -5.425 -2.019 502 HA LEU 68 HA LEU 68 -4.359 -5.631 0.045 503 HB2 LEU 68 1HB LEU 68 -6.541 -7.424 -0.890 504 HB3 LEU 68 2HB LEU 68 -5.549 -7.952 0.468 505 HG LEU 68 HG LEU 68 -7.062 -5.345 0.407 506 HD11 LEU 68 1HD1 LEU 68 -8.109 -7.946 0.630 507 HD12 LEU 68 2HD1 LEU 68 -8.927 -6.415 0.940 508 HD13 LEU 68 3HD1 LEU 68 -8.109 -7.259 2.254 509 HD21 LEU 68 3HD2 LEU 68 -5.275 -6.707 2.326 510 HD22 LEU 68 1HD2 LEU 68 -6.719 -5.946 2.993 511 HD23 LEU 68 2HD2 LEU 68 -5.566 -4.987 2.065 512 H GLY 69 H GLY 69 -4.455 -7.880 -2.682 513 HA2 GLY 69 1HA GLY 69 -2.638 -9.778 -1.710 514 HA3 GLY 69 2HA GLY 69 -2.950 -9.452 -3.408 515 H GLY 70 H GLY 70 -2.002 -7.014 -3.879 516 HA2 GLY 70 1HA GLY 70 0.763 -7.365 -4.061 517 HA3 GLY 70 2HA GLY 70 -0.075 -5.836 -4.286 518 H VAL 71 H VAL 71 -1.151 -5.651 -1.643 519 HA VAL 71 HA VAL 71 0.935 -4.315 -0.341 520 HB VAL 71 HB VAL 71 -1.616 -5.396 0.865 521 HG11 VAL 71 1HG1 VAL 71 0.546 -4.430 2.218 522 HG12 VAL 71 2HG1 VAL 71 -0.420 -2.971 1.987 523 HG13 VAL 71 3HG1 VAL 71 -1.118 -4.374 2.797 524 HG21 VAL 71 3HG2 VAL 71 -2.429 -3.961 -0.715 525 HG22 VAL 71 1HG2 VAL 71 -2.128 -2.815 0.592 526 HG23 VAL 71 2HG2 VAL 71 -0.969 -2.972 -0.729 527 H GLU 72 H GLU 72 -0.469 -7.522 0.267 528 HA GLU 72 HA GLU 72 0.863 -8.277 2.530 529 HB2 GLU 72 1HB GLU 72 0.150 -9.894 0.087 530 HB3 GLU 72 2HB GLU 72 0.823 -10.624 1.538 531 HG2 GLU 72 1HG GLU 72 -1.641 -8.924 1.639 532 HG3 GLU 72 2HG GLU 72 -1.713 -10.641 1.245 533 H GLN 73 H GLN 73 2.124 -8.123 -0.748 534 HA GLN 73 HA GLN 73 4.588 -9.429 -0.182 535 HB2 GLN 73 1HB GLN 73 3.471 -7.851 -2.445 536 HB3 GLN 73 2HB GLN 73 5.219 -8.024 -2.358 537 HG2 GLN 73 1HG GLN 73 3.404 -10.400 -2.194 538 HG3 GLN 73 2HG GLN 73 3.902 -9.719 -3.742 539 HE21 GLN 73 2HE2 GLN 73 6.409 -12.005 -1.557 540 HE22 GLN 73 1HE2 GLN 73 4.827 -11.579 -1.010 541 H LEU 74 H LEU 74 3.552 -6.054 -0.258 542 HA LEU 74 HA LEU 74 6.075 -4.867 0.053 543 HB2 LEU 74 1HB LEU 74 3.319 -3.960 0.848 544 HB3 LEU 74 2HB LEU 74 4.752 -2.951 1.036 545 HG LEU 74 HG LEU 74 3.821 -4.048 -1.612 546 HD11 LEU 74 1HD1 LEU 74 2.175 -2.559 -1.550 547 HD12 LEU 74 2HD1 LEU 74 3.407 -1.298 -1.559 548 HD13 LEU 74 3HD1 LEU 74 2.757 -1.883 -0.028 549 HD21 LEU 74 3HD2 LEU 74 5.509 -1.625 -1.277 550 HD22 LEU 74 1HD2 LEU 74 5.475 -2.811 -2.582 551 HD23 LEU 74 2HD2 LEU 74 6.262 -3.204 -1.053 552 H GLN 75 H GLN 75 3.601 -5.575 2.523 553 HA GLN 75 HA GLN 75 4.733 -4.752 4.805 554 HB2 GLN 75 1HB GLN 75 3.253 -7.278 4.180 555 HB3 GLN 75 2HB GLN 75 3.895 -7.032 5.799 556 HG2 GLN 75 1HG GLN 75 2.649 -4.879 5.891 557 HG3 GLN 75 2HG GLN 75 1.905 -5.305 4.351 558 HE21 GLN 75 2HE2 GLN 75 -0.305 -7.662 5.690 559 HE22 GLN 75 1HE2 GLN 75 0.473 -7.065 4.267 560 H ALA 76 H ALA 76 5.900 -7.374 2.822 561 HA ALA 76 HA ALA 76 7.709 -8.472 4.722 562 HB1 ALA 76 3HB ALA 76 8.574 -8.879 2.009 563 HB2 ALA 76 1HB ALA 76 7.943 -10.045 3.173 564 HB3 ALA 76 2HB ALA 76 6.834 -9.131 2.151 565 H LEU 77 H LEU 77 8.522 -6.772 1.694 566 HA LEU 77 HA LEU 77 11.155 -6.199 2.339 567 HB2 LEU 77 1HB LEU 77 10.905 -4.313 0.672 568 HB3 LEU 77 2HB LEU 77 10.511 -5.933 0.102 569 HG LEU 77 HG LEU 77 8.061 -5.217 0.704 570 HD11 LEU 77 1HD1 LEU 77 8.901 -2.521 -0.141 571 HD12 LEU 77 2HD1 LEU 77 9.245 -2.953 1.534 572 HD13 LEU 77 3HD1 LEU 77 7.590 -3.024 0.928 573 HD21 LEU 77 3HD2 LEU 77 9.649 -5.205 -1.638 574 HD22 LEU 77 1HD2 LEU 77 8.600 -3.788 -1.698 575 HD23 LEU 77 2HD2 LEU 77 7.901 -5.395 -1.500 576 H SER 78 H SER 78 8.217 -4.523 3.222 577 HA SER 78 HA SER 78 9.366 -2.097 4.079 578 HB2 SER 78 1HB SER 78 7.053 -1.986 3.832 579 HB3 SER 78 2HB SER 78 6.790 -3.521 4.661 580 HG SER 78 HG SER 78 6.843 -1.020 5.675 581 H SER 79 H SER 79 8.663 -5.117 5.790 582 HA SER 79 HA SER 79 9.644 -4.122 8.303 583 HB2 SER 79 1HB SER 79 7.867 -5.933 7.984 584 HB3 SER 79 2HB SER 79 9.198 -7.022 7.593 585 HG SER 79 HG SER 79 9.432 -5.514 9.921 586 H ARG 80 H ARG 80 10.802 -6.496 5.918 587 HA ARG 80 HA ARG 80 13.284 -6.933 7.248 588 HB2 ARG 80 1HB ARG 80 12.314 -8.621 5.769 589 HB3 ARG 80 2HB ARG 80 12.455 -7.525 4.402 590 HG2 ARG 80 1HG ARG 80 14.277 -8.914 4.135 591 HG3 ARG 80 2HG ARG 80 14.976 -7.521 4.964 592 HD2 ARG 80 1HD ARG 80 13.929 -9.779 6.598 593 HD3 ARG 80 2HD ARG 80 15.466 -9.988 5.759 594 HE ARG 80 HE ARG 80 14.966 -8.367 8.066 595 HH11 ARG 80 2HH1 ARG 80 16.973 -8.744 5.247 596 HH12 ARG 80 1HH1 ARG 80 18.315 -7.885 5.926 597 HH21 ARG 80 1HH2 ARG 80 18.174 -7.027 8.046 598 HH22 ARG 80 2HH2 ARG 80 16.726 -7.234 8.972 599 H LEU 81 H LEU 81 14.069 -4.792 7.576 600 HA LEU 81 HA LEU 81 14.684 -3.120 5.315 601 HB2 LEU 81 1HB LEU 81 15.002 -2.957 8.260 602 HB3 LEU 81 2HB LEU 81 16.072 -1.967 7.270 603 HG LEU 81 HG LEU 81 13.132 -1.836 6.786 604 HD11 LEU 81 1HD1 LEU 81 13.609 0.223 8.541 605 HD12 LEU 81 2HD1 LEU 81 14.446 -1.139 9.286 606 HD13 LEU 81 3HD1 LEU 81 12.729 -1.262 8.902 607 HD21 LEU 81 3HD2 LEU 81 15.548 -0.220 6.269 608 HD22 LEU 81 1HD2 LEU 81 14.074 0.671 6.647 609 HD23 LEU 81 2HD2 LEU 81 14.102 -0.451 5.286 610 H GLN 82 H GLN 82 16.441 -3.231 4.091 611 HA GLN 82 HA GLN 82 19.025 -3.841 5.135 612 HB2 GLN 82 1HB GLN 82 19.389 -5.856 3.675 613 HB3 GLN 82 2HB GLN 82 18.320 -6.118 5.047 614 HG2 GLN 82 1HG GLN 82 16.388 -5.780 3.502 615 HG3 GLN 82 2HG GLN 82 17.539 -5.756 2.167 616 HE21 GLN 82 2HE2 GLN 82 16.168 -9.171 2.523 617 HE22 GLN 82 1HE2 GLN 82 15.511 -7.596 2.256 618 H THR 83 H THR 83 20.681 -3.930 3.348 619 HA THR 83 HA THR 83 19.788 -2.454 0.965 620 HB THR 83 HB THR 83 21.924 -1.128 1.092 621 HG1 THR 83 1HG THR 83 22.694 -2.723 2.841 622 HG21 THR 83 3HG2 THR 83 19.466 -0.702 2.337 623 HG22 THR 83 1HG2 THR 83 20.687 0.514 1.965 624 HG23 THR 83 2HG2 THR 83 20.668 -0.261 3.549 625 H GLU 84 H GLU 84 20.761 -3.010 -0.929 626 HA GLU 84 HA GLU 84 22.646 -5.259 -0.804 627 HB2 GLU 84 1HB GLU 84 20.603 -5.755 -2.011 628 HB3 GLU 84 2HB GLU 84 20.815 -4.332 -3.022 629 HG2 GLU 84 1HG GLU 84 23.085 -5.499 -3.631 630 HG3 GLU 84 2HG GLU 84 22.227 -6.946 -3.102 631 H ASN 85 H ASN 85 22.026 -2.281 -2.655 632 HA ASN 85 HA ASN 85 24.907 -1.861 -2.859 633 HB2 ASN 85 1HB ASN 85 24.031 -3.097 -4.924 634 HB3 ASN 85 2HB ASN 85 23.174 -1.608 -5.314 635 HD21 ASN 85 2HD2 ASN 85 27.234 -1.818 -5.653 636 HD22 ASN 85 1HD2 ASN 85 26.362 -2.963 -4.696 637 H SER 86 H SER 86 25.336 0.146 -2.251 638 HA SER 86 HA SER 86 23.473 2.067 -1.585 639 HB2 SER 86 1HB SER 86 25.357 3.684 -1.618 640 HB3 SER 86 2HB SER 86 25.779 2.177 -0.803 641 HG SER 86 HG SER 86 26.594 3.129 -3.322 642 H GLY 87 H GLY 87 22.162 3.325 -2.726 643 HA2 GLY 87 1HA GLY 87 22.405 5.074 -4.623 644 HA3 GLY 87 2HA GLY 87 22.685 3.641 -5.602 645 HA PRO 88 HA PRO 88 18.028 4.546 -4.630 646 HB2 PRO 88 2HB PRO 88 17.911 6.839 -4.710 647 HB3 PRO 88 1HB PRO 88 17.412 6.530 -6.378 648 HG2 PRO 88 1HG PRO 88 19.530 6.964 -7.225 649 HG3 PRO 88 2HG PRO 88 19.512 8.083 -5.849 650 HD2 PRO 88 1HD PRO 88 21.439 6.209 -6.179 651 HD3 PRO 88 2HD PRO 88 20.886 6.738 -4.578 652 H SER 89 H SER 89 16.634 3.308 -5.746 653 HA SER 89 HA SER 89 17.027 2.960 -8.632 654 HB2 SER 89 1HB SER 89 16.840 0.549 -8.466 655 HB3 SER 89 2HB SER 89 18.162 1.089 -7.430 656 HG SER 89 HG SER 89 16.265 1.136 -5.797 657 H SER 90 H SER 90 15.159 2.105 -9.744 658 HA SER 90 HA SER 90 12.716 3.184 -8.692 659 HB2 SER 90 1HB SER 90 13.401 1.735 -11.251 660 HB3 SER 90 2HB SER 90 11.760 2.248 -10.863 661 HG SER 90 HG SER 90 12.289 4.193 -11.428 662 H GLY 91 H GLY 91 11.827 2.072 -7.043 663 HA2 GLY 91 1HA GLY 91 10.699 -0.519 -7.612 664 HA3 GLY 91 2HA GLY 91 11.961 -0.561 -6.390 Start of MODEL 16 1 H1 GLY 1 H GLY 1 21.491 4.712 -12.843 2 HA2 GLY 1 1HA GLY 1 21.491 6.207 -10.362 3 HA3 GLY 1 2HA GLY 1 19.990 5.359 -10.702 4 H SER 2 H SER 2 20.125 3.907 -9.027 5 HA SER 2 HA SER 2 20.896 2.152 -7.773 6 HB2 SER 2 1HB SER 2 20.153 1.175 -10.032 7 HB3 SER 2 2HB SER 2 21.872 1.028 -10.395 8 HG SER 2 HG SER 2 20.874 -0.863 -9.419 9 H SER 3 H SER 3 22.722 4.213 -7.718 10 HA SER 3 HA SER 3 25.334 2.896 -8.021 11 HB2 SER 3 1HB SER 3 24.698 5.833 -7.645 12 HB3 SER 3 2HB SER 3 26.305 5.150 -7.894 13 HG SER 3 HG SER 3 25.766 5.634 -9.904 14 H GLY 4 H GLY 4 26.405 2.242 -6.274 15 HA2 GLY 4 1HA GLY 4 26.968 1.902 -4.075 16 HA3 GLY 4 2HA GLY 4 26.583 3.601 -3.841 17 H SER 5 H SER 5 25.631 3.347 -1.842 18 HA SER 5 HA SER 5 23.829 1.409 -1.050 19 HB2 SER 5 1HB SER 5 24.882 3.129 0.435 20 HB3 SER 5 2HB SER 5 23.744 4.315 -0.205 21 HG SER 5 HG SER 5 23.273 2.972 1.843 22 H SER 6 H SER 6 21.734 0.990 -1.407 23 HA SER 6 HA SER 6 19.976 3.029 -2.497 24 HB2 SER 6 1HB SER 6 19.246 1.413 -4.335 25 HB3 SER 6 2HB SER 6 20.807 2.201 -4.562 26 HG SER 6 HG SER 6 20.703 -0.283 -3.266 27 H GLY 7 H GLY 7 17.974 2.829 -1.701 28 HA2 GLY 7 1HA GLY 7 16.905 0.228 -0.985 29 HA3 GLY 7 2HA GLY 7 17.207 1.305 0.371 30 H MET 8 H MET 8 15.004 1.394 0.898 31 HA MET 8 HA MET 8 13.565 3.475 -0.420 32 HB2 MET 8 1HB MET 8 11.634 2.208 -1.144 33 HB3 MET 8 2HB MET 8 13.072 1.583 -1.939 34 HG2 MET 8 1HG MET 8 12.001 -0.350 -1.343 35 HG3 MET 8 2HG MET 8 13.092 -0.119 0.022 36 HE1 MET 8 3HE MET 8 8.619 -0.445 0.069 37 HE2 MET 8 1HE MET 8 9.255 0.712 -1.100 38 HE3 MET 8 2HE MET 8 9.799 -0.965 -1.135 39 H GLU 9 H GLU 9 12.076 4.389 0.919 40 HA GLU 9 HA GLU 9 12.146 3.746 3.660 41 HB2 GLU 9 1HB GLU 9 10.150 5.453 2.162 42 HB3 GLU 9 2HB GLU 9 10.376 5.438 3.905 43 HG2 GLU 9 1HG GLU 9 12.096 6.597 1.778 44 HG3 GLU 9 2HG GLU 9 11.590 7.283 3.321 45 HA PRO 10 HA PRO 10 9.044 0.680 4.156 46 HB2 PRO 10 2HB PRO 10 9.669 0.582 6.365 47 HB3 PRO 10 1HB PRO 10 8.080 1.314 6.613 48 HG2 PRO 10 1HG PRO 10 8.957 3.452 6.829 49 HG3 PRO 10 2HG PRO 10 10.284 2.502 7.524 50 HD2 PRO 10 1HD PRO 10 10.645 4.220 5.461 51 HD3 PRO 10 2HD PRO 10 11.600 2.734 5.646 52 H VAL 11 H VAL 11 7.099 0.533 3.248 53 HA VAL 11 HA VAL 11 5.484 2.662 2.526 54 HB VAL 11 HB VAL 11 4.596 -0.183 3.026 55 HG11 VAL 11 1HG1 VAL 11 2.720 0.261 1.660 56 HG12 VAL 11 2HG1 VAL 11 2.805 1.594 2.812 57 HG13 VAL 11 3HG1 VAL 11 3.363 1.823 1.155 58 HG21 VAL 11 3HG2 VAL 11 6.303 -0.387 1.467 59 HG22 VAL 11 1HG2 VAL 11 4.870 -0.223 0.451 60 HG23 VAL 11 2HG2 VAL 11 5.932 1.161 0.708 61 H GLU 12 H GLU 12 5.635 0.918 5.531 62 HA GLU 12 HA GLU 12 3.129 1.563 6.600 63 HB2 GLU 12 1HB GLU 12 3.923 0.748 8.600 64 HB3 GLU 12 2HB GLU 12 5.060 0.011 7.480 65 HG2 GLU 12 1HG GLU 12 6.640 1.859 7.936 66 HG3 GLU 12 2HG GLU 12 5.514 2.476 9.144 67 H THR 13 H THR 13 5.834 3.534 5.942 68 HA THR 13 HA THR 13 4.799 5.667 7.688 69 HB THR 13 HB THR 13 7.007 6.766 7.361 70 HG1 THR 13 1HG THR 13 7.282 5.153 5.384 71 HG21 THR 13 3HG2 THR 13 7.874 4.157 8.350 72 HG22 THR 13 1HG2 THR 13 6.353 4.703 9.053 73 HG23 THR 13 2HG2 THR 13 7.794 5.711 9.179 74 H TRP 14 H TRP 14 5.400 4.732 4.411 75 HA TRP 14 HA TRP 14 5.642 6.956 2.939 76 HB2 TRP 14 1HB TRP 14 3.848 4.582 2.540 77 HB3 TRP 14 2HB TRP 14 3.855 5.895 1.367 78 HD1 TRP 14 HD TRP 14 7.269 5.620 2.631 79 HE1 TRP 14 1HE TRP 14 8.749 4.256 1.027 80 HE3 TRP 14 3HE TRP 14 3.613 3.534 -0.270 81 HZ2 TRP 14 2HZ TRP 14 8.411 2.526 -1.178 82 HZ3 TRP 14 3HZ TRP 14 4.276 2.036 -2.107 83 HH2 TRP 14 HH TRP 14 6.626 1.544 -2.550 84 H THR 15 H THR 15 4.423 8.678 2.232 85 HA THR 15 HA THR 15 2.395 9.615 4.000 86 HB THR 15 HB THR 15 2.165 11.473 2.260 87 HG1 THR 15 1HG THR 15 3.752 11.518 0.659 88 HG21 THR 15 3HG2 THR 15 3.805 11.253 4.328 89 HG22 THR 15 1HG2 THR 15 3.910 12.614 3.212 90 HG23 THR 15 2HG2 THR 15 5.026 11.257 3.056 91 HA PRO 16 HA PRO 16 -1.291 8.175 2.098 92 HB2 PRO 16 2HB PRO 16 -2.435 9.186 3.815 93 HB3 PRO 16 1HB PRO 16 -2.968 10.268 2.523 94 HG2 PRO 16 1HG PRO 16 -1.412 11.900 3.075 95 HG3 PRO 16 2HG PRO 16 -1.738 11.228 4.683 96 HD2 PRO 16 1HD PRO 16 0.758 11.371 3.643 97 HD3 PRO 16 2HD PRO 16 0.254 10.071 4.742 98 H GLY 17 H GLY 17 0.584 10.490 0.712 99 HA2 GLY 17 1HA GLY 17 -1.322 10.995 -1.483 100 HA3 GLY 17 2HA GLY 17 0.066 12.006 -1.109 101 H LYS 18 H LYS 18 1.360 9.135 -0.673 102 HA LYS 18 HA LYS 18 2.383 9.016 -3.407 103 HB2 LYS 18 1HB LYS 18 3.342 7.686 -0.866 104 HB3 LYS 18 2HB LYS 18 4.128 7.543 -2.433 105 HG2 LYS 18 1HG LYS 18 4.796 9.787 -2.431 106 HG3 LYS 18 2HG LYS 18 3.676 10.207 -1.133 107 HD2 LYS 18 1HD LYS 18 4.978 8.846 0.430 108 HD3 LYS 18 2HD LYS 18 6.093 8.416 -0.869 109 HE2 LYS 18 1HE LYS 18 5.569 11.279 -0.142 110 HE3 LYS 18 2HE LYS 18 6.755 10.315 0.735 111 HZ1 LYS 18 3HZ LYS 18 8.207 10.678 -0.876 112 HZ2 LYS 18 1HZ LYS 18 7.081 11.639 -1.696 113 HZ3 LYS 18 2HZ LYS 18 7.174 9.982 -2.020 114 H VAL 19 H VAL 19 0.826 6.966 -0.984 115 HA VAL 19 HA VAL 19 0.888 4.493 -2.078 116 HB VAL 19 HB VAL 19 -1.453 5.896 -0.800 117 HG11 VAL 19 1HG1 VAL 19 -1.255 3.158 -1.946 118 HG12 VAL 19 2HG1 VAL 19 -2.146 3.378 -0.439 119 HG13 VAL 19 3HG1 VAL 19 -2.628 4.262 -1.887 120 HG21 VAL 19 3HG2 VAL 19 -0.423 3.720 0.704 121 HG22 VAL 19 1HG2 VAL 19 0.937 4.712 0.178 122 HG23 VAL 19 2HG2 VAL 19 -0.384 5.439 1.093 123 H ALA 20 H ALA 20 -1.210 7.151 -3.114 124 HA ALA 20 HA ALA 20 -2.880 5.940 -4.891 125 HB1 ALA 20 3HB ALA 20 -2.543 8.115 -6.283 126 HB2 ALA 20 1HB ALA 20 -3.240 8.206 -4.665 127 HB3 ALA 20 2HB ALA 20 -1.542 8.610 -4.918 128 H THR 21 H THR 21 0.509 6.794 -5.423 129 HA THR 21 HA THR 21 0.586 6.093 -8.165 130 HB THR 21 HB THR 21 2.885 6.110 -6.201 131 HG1 THR 21 1HG THR 21 1.504 8.113 -6.567 132 HG21 THR 21 3HG2 THR 21 4.077 6.782 -8.417 133 HG22 THR 21 1HG2 THR 21 2.692 6.010 -9.187 134 HG23 THR 21 2HG2 THR 21 3.727 5.083 -8.102 135 H TRP 22 H TRP 22 1.287 4.304 -5.197 136 HA TRP 22 HA TRP 22 2.160 1.947 -6.573 137 HB2 TRP 22 1HB TRP 22 2.938 2.490 -4.298 138 HB3 TRP 22 2HB TRP 22 1.294 2.302 -3.695 139 HD1 TRP 22 HD TRP 22 4.334 0.294 -4.776 140 HE1 TRP 22 1HE TRP 22 3.958 -2.181 -4.179 141 HE3 TRP 22 3HE TRP 22 -0.588 0.526 -3.412 142 HZ2 TRP 22 2HZ TRP 22 1.854 -3.819 -3.253 143 HZ3 TRP 22 3HZ TRP 22 -1.708 -1.541 -2.683 144 HH2 TRP 22 HH TRP 22 -0.511 -3.667 -2.607 145 H LEU 23 H LEU 23 -0.882 3.242 -5.607 146 HA LEU 23 HA LEU 23 -2.276 0.712 -5.688 147 HB2 LEU 23 1HB LEU 23 -3.017 3.551 -5.201 148 HB3 LEU 23 2HB LEU 23 -4.282 2.432 -5.705 149 HG LEU 23 HG LEU 23 -2.534 2.035 -3.279 150 HD11 LEU 23 1HD1 LEU 23 -5.413 2.857 -3.221 151 HD12 LEU 23 2HD1 LEU 23 -4.124 4.058 -3.297 152 HD13 LEU 23 3HD1 LEU 23 -4.204 2.936 -1.939 153 HD21 LEU 23 3HD2 LEU 23 -3.981 0.187 -4.667 154 HD22 LEU 23 1HD2 LEU 23 -5.150 0.734 -3.465 155 HD23 LEU 23 2HD2 LEU 23 -3.592 0.088 -2.949 156 H ARG 24 H ARG 24 -2.123 3.641 -7.694 157 HA ARG 24 HA ARG 24 -3.893 2.741 -9.692 158 HB2 ARG 24 1HB ARG 24 -3.072 4.568 -11.028 159 HB3 ARG 24 2HB ARG 24 -3.200 5.110 -9.360 160 HG2 ARG 24 1HG ARG 24 -1.160 5.960 -9.860 161 HG3 ARG 24 2HG ARG 24 -0.662 4.359 -9.308 162 HD2 ARG 24 1HD ARG 24 -0.659 3.579 -11.641 163 HD3 ARG 24 2HD ARG 24 -1.109 5.200 -12.171 164 HE ARG 24 HE ARG 24 1.169 5.570 -10.718 165 HH11 ARG 24 2HH1 ARG 24 0.292 3.606 -13.455 166 HH12 ARG 24 1HH1 ARG 24 1.882 3.625 -14.144 167 HH21 ARG 24 1HH2 ARG 24 3.573 4.760 -13.096 168 HH22 ARG 24 2HH2 ARG 24 3.267 5.602 -11.614 169 H GLY 25 H GLY 25 -0.498 2.189 -9.124 170 HA2 GLY 25 1HA GLY 25 0.084 1.207 -11.755 171 HA3 GLY 25 2HA GLY 25 1.104 1.046 -10.333 172 H LEU 26 H LEU 26 -0.866 -0.267 -8.699 173 HA LEU 26 HA LEU 26 -0.304 -2.881 -8.975 174 HB2 LEU 26 1HB LEU 26 -2.670 -1.442 -7.921 175 HB3 LEU 26 2HB LEU 26 -2.821 -3.184 -8.140 176 HG LEU 26 HG LEU 26 -0.508 -2.078 -6.601 177 HD11 LEU 26 1HD1 LEU 26 -2.413 -2.780 -4.714 178 HD12 LEU 26 2HD1 LEU 26 -3.296 -1.798 -5.881 179 HD13 LEU 26 3HD1 LEU 26 -1.856 -1.151 -5.096 180 HD21 LEU 26 3HD2 LEU 26 -2.085 -4.565 -6.053 181 HD22 LEU 26 1HD2 LEU 26 -0.405 -4.197 -5.659 182 HD23 LEU 26 2HD2 LEU 26 -0.867 -4.530 -7.329 183 H ASP 27 H ASP 27 -3.361 -1.548 -10.248 184 HA ASP 27 HA ASP 27 -3.096 -3.266 -12.596 185 HB2 ASP 27 1HB ASP 27 -4.517 -4.305 -10.636 186 HB3 ASP 27 2HB ASP 27 -5.757 -3.203 -11.229 187 H ASP 28 H ASP 28 -4.545 -2.672 -14.342 188 HA ASP 28 HA ASP 28 -4.879 0.188 -14.489 189 HB2 ASP 28 1HB ASP 28 -4.028 -0.873 -16.452 190 HB3 ASP 28 2HB ASP 28 -5.344 -2.044 -16.467 191 H SER 29 H SER 29 -6.817 -2.457 -13.612 192 HA SER 29 HA SER 29 -9.339 -1.292 -14.395 193 HB2 SER 29 1HB SER 29 -8.593 -3.717 -12.760 194 HB3 SER 29 2HB SER 29 -10.265 -3.201 -12.973 195 HG SER 29 HG SER 29 -9.693 -3.264 -15.321 196 H LEU 30 H LEU 30 -7.322 -1.408 -11.547 197 HA LEU 30 HA LEU 30 -9.357 -0.321 -9.810 198 HB2 LEU 30 1HB LEU 30 -6.413 -0.475 -9.233 199 HB3 LEU 30 2HB LEU 30 -7.750 -0.436 -8.085 200 HG LEU 30 HG LEU 30 -7.554 -2.749 -9.950 201 HD11 LEU 30 1HD1 LEU 30 -5.691 -3.628 -9.103 202 HD12 LEU 30 2HD1 LEU 30 -6.131 -3.181 -7.454 203 HD13 LEU 30 3HD1 LEU 30 -5.331 -2.009 -8.502 204 HD21 LEU 30 3HD2 LEU 30 -9.231 -3.387 -8.643 205 HD22 LEU 30 1HD2 LEU 30 -8.984 -2.008 -7.572 206 HD23 LEU 30 2HD2 LEU 30 -8.087 -3.503 -7.305 207 H GLN 31 H GLN 31 -6.870 0.875 -11.881 208 HA GLN 31 HA GLN 31 -6.228 3.315 -10.765 209 HB2 GLN 31 1HB GLN 31 -5.408 3.926 -12.840 210 HB3 GLN 31 2HB GLN 31 -5.435 2.172 -12.973 211 HG2 GLN 31 1HG GLN 31 -7.658 2.378 -14.098 212 HG3 GLN 31 2HG GLN 31 -7.412 4.124 -14.119 213 HE21 GLN 31 2HE2 GLN 31 -6.331 2.893 -17.379 214 HE22 GLN 31 1HE2 GLN 31 -7.798 3.020 -16.475 215 H ASP 32 H ASP 32 -9.225 2.277 -12.105 216 HA ASP 32 HA ASP 32 -10.345 4.755 -12.817 217 HB2 ASP 32 1HB ASP 32 -11.623 2.182 -11.884 218 HB3 ASP 32 2HB ASP 32 -12.547 3.570 -12.451 219 H TYR 33 H TYR 33 -10.190 3.039 -9.743 220 HA TYR 33 HA TYR 33 -11.951 4.685 -8.297 221 HB2 TYR 33 1HB TYR 33 -9.722 2.831 -7.539 222 HB3 TYR 33 2HB TYR 33 -10.464 3.849 -6.310 223 HD1 TYR 33 2HD TYR 33 -13.156 3.791 -6.405 224 HD2 TYR 33 1HD TYR 33 -10.568 0.703 -7.774 225 HE1 TYR 33 2HE TYR 33 -14.976 2.157 -6.144 226 HE2 TYR 33 1HE TYR 33 -12.382 -0.938 -7.519 227 HH TYR 33 HH TYR 33 -15.090 -0.426 -5.755 228 HA PRO 34 HA PRO 34 -9.649 8.417 -7.855 229 HB2 PRO 34 2HB PRO 34 -11.648 9.397 -7.288 230 HB3 PRO 34 1HB PRO 34 -10.921 9.419 -5.676 231 HG2 PRO 34 1HG PRO 34 -12.068 7.520 -4.994 232 HG3 PRO 34 2HG PRO 34 -13.265 8.223 -6.097 233 HD2 PRO 34 1HD PRO 34 -12.334 5.695 -6.376 234 HD3 PRO 34 2HD PRO 34 -12.812 6.696 -7.763 235 H PHE 35 H PHE 35 -7.712 7.126 -7.254 236 HA PHE 35 HA PHE 35 -7.156 6.556 -4.520 237 HB2 PHE 35 1HB PHE 35 -5.375 6.758 -6.951 238 HB3 PHE 35 2HB PHE 35 -4.788 6.286 -5.360 239 HD1 PHE 35 2HD PHE 35 -6.492 4.415 -4.265 240 HD2 PHE 35 1HD PHE 35 -5.650 5.012 -8.394 241 HE1 PHE 35 2HE PHE 35 -7.117 2.080 -4.726 242 HE2 PHE 35 1HE PHE 35 -6.275 2.679 -8.863 243 HZ PHE 35 HZ PHE 35 -7.009 1.209 -7.027 244 H GLU 36 H GLU 36 -7.139 9.412 -6.344 245 HA GLU 36 HA GLU 36 -5.112 10.753 -4.766 246 HB2 GLU 36 1HB GLU 36 -6.951 11.659 -6.975 247 HB3 GLU 36 2HB GLU 36 -5.915 12.776 -6.098 248 HG2 GLU 36 1HG GLU 36 -3.972 11.331 -6.771 249 HG3 GLU 36 2HG GLU 36 -5.083 10.472 -7.836 250 H ASP 37 H ASP 37 -8.408 10.074 -4.492 251 HA ASP 37 HA ASP 37 -8.744 12.236 -2.516 252 HB2 ASP 37 1HB ASP 37 -10.233 12.101 -4.697 253 HB3 ASP 37 2HB ASP 37 -11.112 10.900 -3.755 254 H TRP 38 H TRP 38 -7.665 9.469 -2.235 255 HA TRP 38 HA TRP 38 -9.697 8.129 -0.640 256 HB2 TRP 38 1HB TRP 38 -7.031 7.391 -1.747 257 HB3 TRP 38 2HB TRP 38 -7.575 6.552 -0.296 258 HD1 TRP 38 HD TRP 38 -10.240 7.515 -2.808 259 HE1 TRP 38 1HE TRP 38 -11.110 5.392 -3.975 260 HE3 TRP 38 3HE TRP 38 -6.793 4.164 -1.070 261 HZ2 TRP 38 2HZ TRP 38 -10.426 2.658 -4.136 262 HZ3 TRP 38 3HZ TRP 38 -6.971 1.814 -1.777 263 HH2 TRP 38 HH TRP 38 -8.751 1.079 -3.278 264 H GLN 39 H GLN 39 -6.724 9.934 -0.226 265 HA GLN 39 HA GLN 39 -5.623 10.703 1.613 266 HB2 GLN 39 1HB GLN 39 -8.425 10.579 2.738 267 HB3 GLN 39 2HB GLN 39 -7.077 11.395 3.519 268 HG2 GLN 39 1HG GLN 39 -6.886 12.934 1.669 269 HG3 GLN 39 2HG GLN 39 -8.156 12.078 0.795 270 HE21 GLN 39 2HE2 GLN 39 -9.044 14.767 3.691 271 HE22 GLN 39 1HE2 GLN 39 -7.421 14.270 3.368 272 H LEU 40 H LEU 40 -5.206 8.062 1.315 273 HA LEU 40 HA LEU 40 -5.454 6.960 4.036 274 HB2 LEU 40 1HB LEU 40 -6.603 5.666 2.280 275 HB3 LEU 40 2HB LEU 40 -5.066 5.477 1.439 276 HG LEU 40 HG LEU 40 -4.298 4.351 3.660 277 HD11 LEU 40 1HD1 LEU 40 -7.296 4.250 3.868 278 HD12 LEU 40 2HD1 LEU 40 -6.135 4.809 5.071 279 HD13 LEU 40 3HD1 LEU 40 -6.238 3.094 4.677 280 HD21 LEU 40 3HD2 LEU 40 -4.846 3.381 1.294 281 HD22 LEU 40 1HD2 LEU 40 -6.263 2.723 2.114 282 HD23 LEU 40 2HD2 LEU 40 -4.645 2.302 2.676 283 HA PRO 41 HA PRO 41 -1.027 7.695 4.017 284 HB2 PRO 41 2HB PRO 41 -1.308 8.642 6.091 285 HB3 PRO 41 1HB PRO 41 -0.679 7.084 6.639 286 HG2 PRO 41 1HG PRO 41 -2.794 6.257 7.124 287 HG3 PRO 41 2HG PRO 41 -3.042 7.975 7.490 288 HD2 PRO 41 1HD PRO 41 -4.592 6.621 5.730 289 HD3 PRO 41 2HD PRO 41 -4.222 8.348 5.545 290 H GLY 42 H GLY 42 0.801 6.381 4.061 291 HA2 GLY 42 1HA GLY 42 0.610 3.765 3.265 292 HA3 GLY 42 2HA GLY 42 2.031 4.435 4.053 293 H LYS 43 H LYS 43 1.391 4.817 6.583 294 HA LYS 43 HA LYS 43 1.676 2.506 7.905 295 HB2 LYS 43 1HB LYS 43 0.699 3.540 9.878 296 HB3 LYS 43 2HB LYS 43 1.656 4.718 8.990 297 HG2 LYS 43 1HG LYS 43 -0.398 5.633 8.011 298 HG3 LYS 43 2HG LYS 43 -1.345 4.471 8.943 299 HD2 LYS 43 1HD LYS 43 -1.461 6.289 10.331 300 HD3 LYS 43 2HD LYS 43 -0.006 5.514 10.961 301 HE2 LYS 43 1HE LYS 43 1.393 7.090 10.042 302 HE3 LYS 43 2HE LYS 43 0.258 7.504 8.758 303 HZ1 LYS 43 3HZ LYS 43 -0.439 9.197 9.977 304 HZ2 LYS 43 1HZ LYS 43 0.643 8.792 11.213 305 HZ3 LYS 43 2HZ LYS 43 -0.921 8.147 11.212 306 H ASN 44 H ASN 44 -1.430 3.824 6.838 307 HA ASN 44 HA ASN 44 -2.945 1.655 7.954 308 HB2 ASN 44 1HB ASN 44 -3.547 4.063 6.300 309 HB3 ASN 44 2HB ASN 44 -4.711 2.741 6.288 310 HD21 ASN 44 2HD2 ASN 44 -5.929 3.342 9.485 311 HD22 ASN 44 1HD2 ASN 44 -5.892 2.296 8.110 312 H LEU 45 H LEU 45 -1.641 2.491 4.796 313 HA LEU 45 HA LEU 45 -2.934 0.766 3.120 314 HB2 LEU 45 1HB LEU 45 -1.109 2.387 2.538 315 HB3 LEU 45 2HB LEU 45 0.049 1.184 3.103 316 HG LEU 45 HG LEU 45 -0.825 -0.368 1.348 317 HD11 LEU 45 1HD1 LEU 45 -2.618 1.921 0.916 318 HD12 LEU 45 2HD1 LEU 45 -2.852 0.208 0.568 319 HD13 LEU 45 3HD1 LEU 45 -1.927 1.215 -0.545 320 HD21 LEU 45 3HD2 LEU 45 0.713 2.091 0.942 321 HD22 LEU 45 1HD2 LEU 45 0.056 1.392 -0.538 322 HD23 LEU 45 2HD2 LEU 45 1.096 0.424 0.508 323 H LEU 46 H LEU 46 -0.102 -0.013 5.131 324 HA LEU 46 HA LEU 46 -0.111 -2.776 4.399 325 HB2 LEU 46 1HB LEU 46 1.253 -1.295 6.640 326 HB3 LEU 46 2HB LEU 46 1.512 -3.000 6.281 327 HG LEU 46 HG LEU 46 2.172 -0.693 4.451 328 HD11 LEU 46 1HD1 LEU 46 3.572 -1.761 6.663 329 HD12 LEU 46 2HD1 LEU 46 4.121 -0.561 5.493 330 HD13 LEU 46 3HD1 LEU 46 4.413 -2.276 5.201 331 HD21 LEU 46 3HD2 LEU 46 2.045 -3.610 4.075 332 HD22 LEU 46 1HD2 LEU 46 3.512 -2.829 3.487 333 HD23 LEU 46 2HD2 LEU 46 1.936 -2.304 2.894 334 H GLN 47 H GLN 47 -1.597 -0.871 6.905 335 HA GLN 47 HA GLN 47 -2.500 -3.287 8.294 336 HB2 GLN 47 1HB GLN 47 -2.771 -0.384 9.091 337 HB3 GLN 47 2HB GLN 47 -3.239 -1.767 10.071 338 HG2 GLN 47 1HG GLN 47 -0.474 -0.915 9.273 339 HG3 GLN 47 2HG GLN 47 -1.161 -1.013 10.894 340 HE21 GLN 47 2HE2 GLN 47 -1.007 -4.623 10.936 341 HE22 GLN 47 1HE2 GLN 47 -2.122 -3.347 11.271 342 H LEU 48 H LEU 48 -3.504 -2.270 5.654 343 HA LEU 48 HA LEU 48 -6.117 -1.232 6.031 344 HB2 LEU 48 1HB LEU 48 -4.570 -2.381 3.778 345 HB3 LEU 48 2HB LEU 48 -6.325 -2.354 3.623 346 HG LEU 48 HG LEU 48 -4.651 0.090 4.181 347 HD11 LEU 48 1HD1 LEU 48 -5.222 0.609 1.759 348 HD12 LEU 48 2HD1 LEU 48 -5.596 -1.106 1.593 349 HD13 LEU 48 3HD1 LEU 48 -3.968 -0.598 2.043 350 HD21 LEU 48 3HD2 LEU 48 -6.747 1.206 3.319 351 HD22 LEU 48 1HD2 LEU 48 -6.876 0.439 4.902 352 HD23 LEU 48 2HD2 LEU 48 -7.542 -0.361 3.478 353 H CYS 49 H CYS 49 -7.945 -2.630 4.786 354 HA CYS 49 HA CYS 49 -7.942 -5.421 5.440 355 HB2 CYS 49 1HB CYS 49 -9.276 -3.446 7.226 356 HB3 CYS 49 2HB CYS 49 -10.129 -4.948 6.892 357 HG CYS 49 HG CYS 49 -7.292 -6.081 7.594 358 HA PRO 50 HA PRO 50 -11.019 -5.580 2.321 359 HB2 PRO 50 2HB PRO 50 -10.973 -7.869 2.520 360 HB3 PRO 50 1HB PRO 50 -12.604 -7.621 3.154 361 HG2 PRO 50 1HG PRO 50 -11.905 -7.771 5.363 362 HG3 PRO 50 2HG PRO 50 -10.758 -8.888 4.599 363 HD2 PRO 50 1HD PRO 50 -9.959 -6.777 6.095 364 HD3 PRO 50 2HD PRO 50 -9.019 -7.380 4.715 365 H GLN 51 H GLN 51 -12.031 -5.134 5.616 366 HA GLN 51 HA GLN 51 -14.748 -4.425 4.856 367 HB2 GLN 51 1HB GLN 51 -13.377 -4.423 7.551 368 HB3 GLN 51 2HB GLN 51 -15.080 -4.073 7.286 369 HG2 GLN 51 1HG GLN 51 -13.706 -6.680 6.671 370 HG3 GLN 51 2HG GLN 51 -14.730 -6.354 8.068 371 HE21 GLN 51 2HE2 GLN 51 -16.817 -8.087 5.620 372 HE22 GLN 51 1HE2 GLN 51 -15.429 -8.429 6.590 373 H SER 52 H SER 52 -11.816 -2.885 6.080 374 HA SER 52 HA SER 52 -12.944 -0.302 6.398 375 HB2 SER 52 1HB SER 52 -10.120 -1.327 6.184 376 HB3 SER 52 2HB SER 52 -10.460 0.401 6.281 377 HG SER 52 HG SER 52 -10.116 -0.448 8.348 378 H LEU 53 H LEU 53 -11.257 -1.910 3.750 379 HA LEU 53 HA LEU 53 -10.819 0.231 2.056 380 HB2 LEU 53 1HB LEU 53 -11.269 -2.676 1.681 381 HB3 LEU 53 2HB LEU 53 -11.380 -1.648 0.253 382 HG LEU 53 HG LEU 53 -8.970 -1.412 1.988 383 HD11 LEU 53 1HD1 LEU 53 -8.320 -3.284 0.026 384 HD12 LEU 53 2HD1 LEU 53 -9.816 -3.871 0.752 385 HD13 LEU 53 3HD1 LEU 53 -8.411 -3.548 1.768 386 HD21 LEU 53 3HD2 LEU 53 -9.042 0.116 0.207 387 HD22 LEU 53 1HD2 LEU 53 -9.621 -1.103 -0.928 388 HD23 LEU 53 2HD2 LEU 53 -7.961 -1.167 -0.337 389 H GLU 54 H GLU 54 -13.769 -1.614 2.601 390 HA GLU 54 HA GLU 54 -15.334 -0.755 0.499 391 HB2 GLU 54 1HB GLU 54 -16.216 -1.175 3.361 392 HB3 GLU 54 2HB GLU 54 -17.273 -1.150 1.957 393 HG2 GLU 54 1HG GLU 54 -16.194 -3.134 1.077 394 HG3 GLU 54 2HG GLU 54 -15.070 -3.144 2.434 395 H ALA 55 H ALA 55 -14.453 0.949 3.436 396 HA ALA 55 HA ALA 55 -16.286 3.056 3.318 397 HB1 ALA 55 3HB ALA 55 -14.904 4.190 4.851 398 HB2 ALA 55 1HB ALA 55 -14.688 2.474 5.200 399 HB3 ALA 55 2HB ALA 55 -13.457 3.351 4.290 400 H LEU 56 H LEU 56 -13.308 2.496 1.569 401 HA LEU 56 HA LEU 56 -13.252 5.177 0.472 402 HB2 LEU 56 1HB LEU 56 -11.594 2.776 -0.278 403 HB3 LEU 56 2HB LEU 56 -11.275 4.453 -0.713 404 HG LEU 56 HG LEU 56 -11.198 3.348 2.094 405 HD11 LEU 56 1HD1 LEU 56 -9.184 3.520 -0.046 406 HD12 LEU 56 2HD1 LEU 56 -9.270 2.452 1.355 407 HD13 LEU 56 3HD1 LEU 56 -8.671 4.100 1.539 408 HD21 LEU 56 3HD2 LEU 56 -11.209 5.466 2.752 409 HD22 LEU 56 1HD2 LEU 56 -11.358 6.006 1.080 410 HD23 LEU 56 2HD2 LEU 56 -9.761 5.764 1.789 411 H ALA 57 H ALA 57 -15.480 3.170 -0.031 412 HA ALA 57 HA ALA 57 -16.938 2.755 -1.733 413 HB1 ALA 57 3HB ALA 57 -17.108 4.620 -2.927 414 HB2 ALA 57 1HB ALA 57 -15.412 5.018 -2.647 415 HB3 ALA 57 2HB ALA 57 -15.864 3.980 -4.001 416 H VAL 58 H VAL 58 -14.474 1.155 -1.237 417 HA VAL 58 HA VAL 58 -14.149 -0.064 -3.898 418 HB VAL 58 HB VAL 58 -12.359 -0.373 -1.484 419 HG11 VAL 58 1HG1 VAL 58 -10.908 -1.098 -3.676 420 HG12 VAL 58 2HG1 VAL 58 -11.731 -2.220 -2.591 421 HG13 VAL 58 3HG1 VAL 58 -12.511 -1.705 -4.087 422 HG21 VAL 58 3HG2 VAL 58 -12.417 1.584 -3.686 423 HG22 VAL 58 1HG2 VAL 58 -11.738 1.717 -2.063 424 HG23 VAL 58 2HG2 VAL 58 -10.840 0.879 -3.329 425 H ARG 59 H ARG 59 -16.482 -0.666 -2.624 426 HA ARG 59 HA ARG 59 -16.446 -2.866 -0.894 427 HB2 ARG 59 1HB ARG 59 -18.531 -2.155 -2.966 428 HB3 ARG 59 2HB ARG 59 -18.766 -3.238 -1.602 429 HG2 ARG 59 1HG ARG 59 -18.078 -1.187 -0.175 430 HG3 ARG 59 2HG ARG 59 -18.477 -0.268 -1.627 431 HD2 ARG 59 1HD ARG 59 -20.319 -2.182 -0.198 432 HD3 ARG 59 2HD ARG 59 -20.376 -0.423 -0.077 433 HE ARG 59 HE ARG 59 -20.564 -1.038 -2.769 434 HH11 ARG 59 2HH1 ARG 59 -22.385 -1.639 0.137 435 HH12 ARG 59 1HH1 ARG 59 -23.911 -1.715 -0.680 436 HH21 ARG 59 1HH2 ARG 59 -24.013 -1.430 -2.951 437 HH22 ARG 59 2HH2 ARG 59 -22.567 -1.136 -3.855 438 H SER 60 H SER 60 -16.120 -2.650 -4.367 439 HA SER 60 HA SER 60 -16.692 -5.209 -5.189 440 HB2 SER 60 1HB SER 60 -14.633 -4.741 -6.808 441 HB3 SER 60 2HB SER 60 -16.150 -3.855 -6.969 442 HG SER 60 HG SER 60 -14.240 -2.821 -5.225 443 H LEU 61 H LEU 61 -16.088 -7.023 -4.198 444 HA LEU 61 HA LEU 61 -13.815 -7.364 -2.610 445 HB2 LEU 61 1HB LEU 61 -15.948 -8.787 -2.780 446 HB3 LEU 61 2HB LEU 61 -15.124 -9.613 -4.101 447 HG LEU 61 HG LEU 61 -14.699 -10.994 -2.300 448 HD11 LEU 61 1HD1 LEU 61 -12.372 -10.834 -1.827 449 HD12 LEU 61 2HD1 LEU 61 -12.366 -9.099 -2.140 450 HD13 LEU 61 3HD1 LEU 61 -12.620 -10.233 -3.467 451 HD21 LEU 61 3HD2 LEU 61 -15.426 -8.847 -0.757 452 HD22 LEU 61 1HD2 LEU 61 -13.728 -9.068 -0.336 453 HD23 LEU 61 2HD2 LEU 61 -14.864 -10.405 -0.150 454 H GLY 62 H GLY 62 -14.374 -8.134 -6.025 455 HA2 GLY 62 1HA GLY 62 -12.023 -9.493 -6.590 456 HA3 GLY 62 2HA GLY 62 -12.897 -8.499 -7.745 457 H HIS 63 H HIS 63 -12.596 -5.985 -6.840 458 HA HIS 63 HA HIS 63 -10.027 -5.282 -7.680 459 HB2 HIS 63 1HB HIS 63 -12.212 -3.802 -6.251 460 HB3 HIS 63 2HB HIS 63 -10.649 -3.034 -6.511 461 HD1 HIS 63 1HD HIS 63 -10.562 -1.691 -8.574 462 HD2 HIS 63 2HD HIS 63 -13.246 -4.845 -8.909 463 HE1 HIS 63 1HE HIS 63 -11.588 -1.461 -10.858 464 HE2 HIS 63 2HE HIS 63 -13.270 -3.329 -11.005 465 H GLN 64 H GLN 64 -11.346 -5.741 -4.442 466 HA GLN 64 HA GLN 64 -9.204 -4.717 -2.965 467 HB2 GLN 64 1HB GLN 64 -11.345 -6.732 -2.401 468 HB3 GLN 64 2HB GLN 64 -10.050 -6.493 -1.236 469 HG2 GLN 64 1HG GLN 64 -10.622 -4.134 -1.064 470 HG3 GLN 64 2HG GLN 64 -11.904 -4.352 -2.254 471 HE21 GLN 64 2HE2 GLN 64 -14.087 -4.748 0.409 472 HE22 GLN 64 1HE2 GLN 64 -13.598 -3.822 -0.965 473 H GLU 65 H GLU 65 -9.700 -7.867 -4.443 474 HA GLU 65 HA GLU 65 -7.483 -9.142 -3.201 475 HB2 GLU 65 1HB GLU 65 -9.330 -9.763 -5.447 476 HB3 GLU 65 2HB GLU 65 -7.797 -10.622 -5.406 477 HG2 GLU 65 1HG GLU 65 -9.959 -10.617 -3.322 478 HG3 GLU 65 2HG GLU 65 -9.399 -11.971 -4.302 479 H LEU 66 H LEU 66 -7.884 -7.186 -6.066 480 HA LEU 66 HA LEU 66 -5.408 -7.838 -7.292 481 HB2 LEU 66 1HB LEU 66 -7.175 -5.412 -7.562 482 HB3 LEU 66 2HB LEU 66 -5.780 -5.748 -8.585 483 HG LEU 66 HG LEU 66 -8.053 -7.694 -8.398 484 HD11 LEU 66 1HD1 LEU 66 -9.442 -6.240 -9.336 485 HD12 LEU 66 2HD1 LEU 66 -8.381 -6.223 -10.744 486 HD13 LEU 66 3HD1 LEU 66 -8.171 -5.024 -9.468 487 HD21 LEU 66 3HD2 LEU 66 -7.269 -8.190 -10.718 488 HD22 LEU 66 1HD2 LEU 66 -6.084 -8.533 -9.458 489 HD23 LEU 66 2HD2 LEU 66 -5.927 -7.078 -10.443 490 H ILE 67 H ILE 67 -6.364 -5.585 -4.812 491 HA ILE 67 HA ILE 67 -3.798 -4.211 -4.877 492 HB ILE 67 HB ILE 67 -6.156 -3.837 -3.026 493 HG12 ILE 67 1HG1 ILE 67 -5.235 -2.034 -5.265 494 HG13 ILE 67 2HG1 ILE 67 -6.465 -3.273 -5.486 495 HG21 ILE 67 1HG2 ILE 67 -5.080 -1.879 -2.211 496 HG22 ILE 67 2HG2 ILE 67 -3.909 -3.192 -2.111 497 HG23 ILE 67 3HG2 ILE 67 -3.797 -2.008 -3.413 498 HD11 ILE 67 3HD1 ILE 67 -7.724 -1.391 -5.104 499 HD12 ILE 67 1HD1 ILE 67 -7.631 -2.098 -3.491 500 HD13 ILE 67 2HD1 ILE 67 -6.589 -0.741 -3.921 501 H LEU 68 H LEU 68 -5.719 -5.929 -2.405 502 HA LEU 68 HA LEU 68 -3.873 -6.093 -0.398 503 HB2 LEU 68 1HB LEU 68 -5.974 -8.025 -1.313 504 HB3 LEU 68 2HB LEU 68 -4.958 -8.380 0.083 505 HG LEU 68 HG LEU 68 -6.780 -5.988 -0.174 506 HD11 LEU 68 1HD1 LEU 68 -8.351 -7.088 1.121 507 HD12 LEU 68 2HD1 LEU 68 -7.194 -8.292 1.688 508 HD13 LEU 68 3HD1 LEU 68 -7.795 -8.358 0.031 509 HD21 LEU 68 3HD2 LEU 68 -6.335 -5.995 2.365 510 HD22 LEU 68 1HD2 LEU 68 -5.095 -5.344 1.292 511 HD23 LEU 68 2HD2 LEU 68 -4.919 -6.967 1.960 512 H GLY 69 H GLY 69 -4.117 -8.168 -3.254 513 HA2 GLY 69 1HA GLY 69 -2.248 -10.110 -2.600 514 HA3 GLY 69 2HA GLY 69 -2.578 -9.560 -4.236 515 H GLY 70 H GLY 70 -1.725 -6.806 -3.637 516 HA2 GLY 70 1HA GLY 70 1.138 -7.273 -3.974 517 HA3 GLY 70 2HA GLY 70 0.281 -5.776 -4.311 518 H VAL 71 H VAL 71 -1.063 -6.039 -1.608 519 HA VAL 71 HA VAL 71 0.792 -4.427 -0.172 520 HB VAL 71 HB VAL 71 -1.787 -5.712 0.736 521 HG11 VAL 71 1HG1 VAL 71 0.079 -3.791 2.090 522 HG12 VAL 71 2HG1 VAL 71 -1.638 -3.849 2.494 523 HG13 VAL 71 3HG1 VAL 71 -0.630 -5.278 2.719 524 HG21 VAL 71 3HG2 VAL 71 -1.152 -2.924 -0.226 525 HG22 VAL 71 1HG2 VAL 71 -2.133 -4.132 -1.057 526 HG23 VAL 71 2HG2 VAL 71 -2.697 -3.429 0.459 527 H GLU 72 H GLU 72 -0.447 -7.726 0.324 528 HA GLU 72 HA GLU 72 0.847 -8.380 2.661 529 HB2 GLU 72 1HB GLU 72 0.647 -10.693 2.009 530 HB3 GLU 72 2HB GLU 72 -0.782 -9.826 1.463 531 HG2 GLU 72 1HG GLU 72 0.065 -9.757 -0.791 532 HG3 GLU 72 2HG GLU 72 1.578 -10.502 -0.277 533 H GLN 73 H GLN 73 2.179 -8.039 -0.537 534 HA GLN 73 HA GLN 73 4.660 -9.350 0.051 535 HB2 GLN 73 1HB GLN 73 3.887 -7.493 -2.205 536 HB3 GLN 73 2HB GLN 73 5.398 -8.388 -2.115 537 HG2 GLN 73 1HG GLN 73 3.886 -10.470 -1.929 538 HG3 GLN 73 2HG GLN 73 2.625 -9.409 -2.557 539 HE21 GLN 73 2HE2 GLN 73 4.367 -11.212 -5.326 540 HE22 GLN 73 1HE2 GLN 73 3.618 -11.713 -3.852 541 H LEU 74 H LEU 74 3.425 -6.090 0.240 542 HA LEU 74 HA LEU 74 5.940 -4.788 0.505 543 HB2 LEU 74 1HB LEU 74 3.123 -4.000 1.192 544 HB3 LEU 74 2HB LEU 74 4.497 -2.946 1.520 545 HG LEU 74 HG LEU 74 3.690 -3.938 -1.214 546 HD11 LEU 74 1HD1 LEU 74 2.104 -2.381 -1.096 547 HD12 LEU 74 2HD1 LEU 74 3.408 -1.194 -1.133 548 HD13 LEU 74 3HD1 LEU 74 2.744 -1.727 0.412 549 HD21 LEU 74 3HD2 LEU 74 5.366 -1.587 -1.083 550 HD22 LEU 74 1HD2 LEU 74 5.592 -3.084 -1.987 551 HD23 LEU 74 2HD2 LEU 74 6.137 -2.975 -0.313 552 H GLN 75 H GLN 75 3.443 -5.660 2.896 553 HA GLN 75 HA GLN 75 4.532 -4.810 5.214 554 HB2 GLN 75 1HB GLN 75 3.218 -7.476 4.682 555 HB3 GLN 75 2HB GLN 75 3.559 -6.865 6.295 556 HG2 GLN 75 1HG GLN 75 2.132 -4.919 5.843 557 HG3 GLN 75 2HG GLN 75 1.761 -5.581 4.252 558 HE21 GLN 75 2HE2 GLN 75 -0.647 -7.807 5.380 559 HE22 GLN 75 1HE2 GLN 75 0.288 -7.198 4.061 560 H ALA 76 H ALA 76 5.814 -7.265 3.151 561 HA ALA 76 HA ALA 76 7.562 -8.435 5.105 562 HB1 ALA 76 3HB ALA 76 6.737 -9.672 3.128 563 HB2 ALA 76 1HB ALA 76 7.709 -8.619 2.099 564 HB3 ALA 76 2HB ALA 76 8.495 -9.683 3.266 565 H LEU 77 H LEU 77 8.383 -6.739 2.076 566 HA LEU 77 HA LEU 77 11.016 -6.167 2.736 567 HB2 LEU 77 1HB LEU 77 10.774 -4.290 1.053 568 HB3 LEU 77 2HB LEU 77 10.398 -5.918 0.492 569 HG LEU 77 HG LEU 77 7.933 -5.152 1.132 570 HD11 LEU 77 1HD1 LEU 77 8.837 -2.562 0.039 571 HD12 LEU 77 2HD1 LEU 77 9.166 -2.856 1.746 572 HD13 LEU 77 3HD1 LEU 77 7.511 -2.933 1.142 573 HD21 LEU 77 3HD2 LEU 77 7.560 -4.728 -1.176 574 HD22 LEU 77 1HD2 LEU 77 8.860 -5.916 -1.076 575 HD23 LEU 77 2HD2 LEU 77 9.234 -4.227 -1.422 576 H SER 78 H SER 78 8.092 -4.256 3.300 577 HA SER 78 HA SER 78 9.240 -1.912 4.233 578 HB2 SER 78 1HB SER 78 6.937 -1.773 3.944 579 HB3 SER 78 2HB SER 78 6.637 -3.294 4.785 580 HG SER 78 HG SER 78 7.740 -1.137 6.199 581 H SER 79 H SER 79 8.692 -4.961 5.890 582 HA SER 79 HA SER 79 9.852 -3.844 8.346 583 HB2 SER 79 1HB SER 79 8.347 -6.428 7.872 584 HB3 SER 79 2HB SER 79 9.019 -5.930 9.425 585 HG SER 79 HG SER 79 7.354 -4.125 8.108 586 H ARG 80 H ARG 80 11.425 -4.480 5.971 587 HA ARG 80 HA ARG 80 13.140 -6.591 7.106 588 HB2 ARG 80 1HB ARG 80 11.926 -6.990 4.831 589 HB3 ARG 80 2HB ARG 80 13.152 -5.908 4.186 590 HG2 ARG 80 1HG ARG 80 14.873 -7.390 4.608 591 HG3 ARG 80 2HG ARG 80 13.956 -8.261 5.839 592 HD2 ARG 80 1HD ARG 80 13.378 -8.280 2.879 593 HD3 ARG 80 2HD ARG 80 14.201 -9.561 3.768 594 HE ARG 80 HE ARG 80 11.676 -9.011 4.923 595 HH11 ARG 80 2HH1 ARG 80 13.162 -10.543 2.173 596 HH12 ARG 80 1HH1 ARG 80 11.869 -11.672 1.939 597 HH21 ARG 80 1HH2 ARG 80 10.052 -11.642 3.333 598 HH22 ARG 80 2HH2 ARG 80 9.967 -10.492 4.625 599 H LEU 81 H LEU 81 15.296 -6.180 7.299 600 HA LEU 81 HA LEU 81 16.237 -3.636 7.670 601 HB2 LEU 81 1HB LEU 81 17.281 -6.012 8.116 602 HB3 LEU 81 2HB LEU 81 18.123 -5.681 6.604 603 HG LEU 81 HG LEU 81 18.222 -3.815 8.964 604 HD11 LEU 81 1HD1 LEU 81 19.823 -6.264 8.368 605 HD12 LEU 81 2HD1 LEU 81 19.193 -5.680 9.908 606 HD13 LEU 81 3HD1 LEU 81 20.582 -4.886 9.165 607 HD21 LEU 81 3HD2 LEU 81 20.550 -3.725 7.412 608 HD22 LEU 81 1HD2 LEU 81 19.273 -2.513 7.506 609 HD23 LEU 81 2HD2 LEU 81 19.210 -3.765 6.265 610 H GLN 82 H GLN 82 16.015 -2.057 6.198 611 HA GLN 82 HA GLN 82 15.904 -2.132 3.498 612 HB2 GLN 82 1HB GLN 82 16.703 0.169 3.459 613 HB3 GLN 82 2HB GLN 82 15.624 -0.081 4.825 614 HG2 GLN 82 1HG GLN 82 18.548 -0.391 5.253 615 HG3 GLN 82 2HG GLN 82 17.882 1.233 5.079 616 HE21 GLN 82 2HE2 GLN 82 17.854 0.600 8.645 617 HE22 GLN 82 1HE2 GLN 82 18.986 0.904 7.376 618 H THR 83 H THR 83 17.272 -2.246 1.773 619 HA THR 83 HA THR 83 19.669 -3.671 2.033 620 HB THR 83 HB THR 83 18.922 -1.936 -0.325 621 HG1 THR 83 1HG THR 83 17.185 -3.221 -0.171 622 HG21 THR 83 3HG2 THR 83 21.190 -3.409 0.123 623 HG22 THR 83 1HG2 THR 83 20.557 -2.974 -1.464 624 HG23 THR 83 2HG2 THR 83 20.172 -4.546 -0.761 625 H GLU 84 H GLU 84 21.779 -3.095 2.152 626 HA GLU 84 HA GLU 84 22.336 -0.235 2.531 627 HB2 GLU 84 1HB GLU 84 24.053 -2.578 3.359 628 HB3 GLU 84 2HB GLU 84 24.257 -0.897 3.827 629 HG2 GLU 84 1HG GLU 84 21.690 -2.228 4.492 630 HG3 GLU 84 2HG GLU 84 23.124 -2.663 5.421 631 H ASN 85 H ASN 85 23.805 -3.156 1.116 632 HA ASN 85 HA ASN 85 24.906 -1.482 -1.023 633 HB2 ASN 85 1HB ASN 85 26.437 -3.253 0.844 634 HB3 ASN 85 2HB ASN 85 26.986 -3.082 -0.821 635 HD21 ASN 85 2HD2 ASN 85 27.699 -0.220 1.888 636 HD22 ASN 85 1HD2 ASN 85 26.941 -1.724 2.270 637 H SER 86 H SER 86 24.321 -2.275 -2.923 638 HA SER 86 HA SER 86 23.016 -4.759 -3.224 639 HB2 SER 86 1HB SER 86 24.058 -2.696 -5.142 640 HB3 SER 86 2HB SER 86 23.444 -4.236 -5.745 641 HG SER 86 HG SER 86 22.090 -2.089 -4.695 642 H GLY 87 H GLY 87 26.219 -3.673 -4.363 643 HA2 GLY 87 1HA GLY 87 28.167 -5.050 -4.155 644 HA3 GLY 87 2HA GLY 87 27.125 -6.465 -4.179 645 HA PRO 88 HA PRO 88 28.863 -5.258 -8.478 646 HB2 PRO 88 2HB PRO 88 31.110 -5.257 -7.997 647 HB3 PRO 88 1HB PRO 88 31.007 -6.920 -8.588 648 HG2 PRO 88 1HG PRO 88 30.913 -7.810 -6.446 649 HG3 PRO 88 2HG PRO 88 31.941 -6.396 -6.148 650 HD2 PRO 88 1HD PRO 88 29.648 -6.843 -4.780 651 HD3 PRO 88 2HD PRO 88 30.237 -5.210 -5.149 652 H SER 89 H SER 89 28.035 -8.051 -6.681 653 HA SER 89 HA SER 89 28.119 -9.997 -8.731 654 HB2 SER 89 1HB SER 89 26.746 -11.355 -7.263 655 HB3 SER 89 2HB SER 89 27.957 -10.515 -6.295 656 HG SER 89 HG SER 89 25.239 -10.335 -6.220 657 H SER 90 H SER 90 25.549 -7.854 -7.568 658 HA SER 90 HA SER 90 23.347 -8.715 -8.866 659 HB2 SER 90 1HB SER 90 24.210 -5.815 -8.872 660 HB3 SER 90 2HB SER 90 22.559 -6.429 -8.958 661 HG SER 90 HG SER 90 22.653 -7.018 -6.864 662 H GLY 91 H GLY 91 25.862 -6.673 -10.351 663 HA2 GLY 91 1HA GLY 91 26.625 -7.192 -12.595 664 HA3 GLY 91 2HA GLY 91 24.987 -7.702 -12.974 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.499 17.571 1.158 2 HA2 GLY 1 1HA GLY 1 3.512 15.486 3.144 3 HA3 GLY 1 2HA GLY 1 3.638 15.273 1.404 4 H SER 2 H SER 2 5.420 14.160 0.976 5 HA SER 2 HA SER 2 7.741 14.305 2.673 6 HB2 SER 2 1HB SER 2 7.070 12.770 0.168 7 HB3 SER 2 2HB SER 2 8.697 12.753 0.849 8 HG SER 2 HG SER 2 6.572 12.248 2.580 9 H SER 3 H SER 3 9.764 15.112 2.154 10 HA SER 3 HA SER 3 9.981 16.698 -0.308 11 HB2 SER 3 1HB SER 3 9.378 18.058 1.819 12 HB3 SER 3 2HB SER 3 11.050 17.763 2.294 13 HG SER 3 HG SER 3 10.504 18.751 -0.274 14 H GLY 4 H GLY 4 11.568 15.711 -1.386 15 HA2 GLY 4 1HA GLY 4 13.616 14.798 -1.876 16 HA3 GLY 4 2HA GLY 4 14.236 15.814 -0.582 17 H SER 5 H SER 5 13.736 12.663 -1.616 18 HA SER 5 HA SER 5 14.563 11.644 0.998 19 HB2 SER 5 1HB SER 5 12.089 10.863 -0.495 20 HB3 SER 5 2HB SER 5 12.948 9.636 0.436 21 HG SER 5 HG SER 5 12.173 10.484 2.186 22 H SER 6 H SER 6 15.895 9.867 0.920 23 HA SER 6 HA SER 6 16.616 8.901 -1.770 24 HB2 SER 6 1HB SER 6 18.277 10.444 -0.434 25 HB3 SER 6 2HB SER 6 18.630 8.958 0.448 26 HG SER 6 HG SER 6 18.598 8.832 -2.337 27 H GLY 7 H GLY 7 17.496 6.730 -1.859 28 HA2 GLY 7 1HA GLY 7 17.427 4.487 -1.375 29 HA3 GLY 7 2HA GLY 7 17.548 4.956 0.314 30 H MET 8 H MET 8 16.007 2.788 -0.879 31 HA MET 8 HA MET 8 13.270 3.431 -1.023 32 HB2 MET 8 1HB MET 8 13.995 1.352 -1.937 33 HB3 MET 8 2HB MET 8 14.714 0.855 -0.411 34 HG2 MET 8 1HG MET 8 12.702 -0.370 -0.705 35 HG3 MET 8 2HG MET 8 12.433 0.811 0.575 36 HE1 MET 8 3HE MET 8 9.563 0.254 0.015 37 HE2 MET 8 1HE MET 8 9.127 0.141 -1.691 38 HE3 MET 8 2HE MET 8 10.390 -0.900 -1.033 39 H GLU 9 H GLU 9 11.583 3.013 0.496 40 HA GLU 9 HA GLU 9 12.414 2.833 3.303 41 HB2 GLU 9 1HB GLU 9 10.452 4.595 3.624 42 HB3 GLU 9 2HB GLU 9 12.113 5.097 3.340 43 HG2 GLU 9 1HG GLU 9 11.459 5.109 0.853 44 HG3 GLU 9 2HG GLU 9 9.799 5.099 1.447 45 HA PRO 10 HA PRO 10 9.005 0.129 3.849 46 HB2 PRO 10 2HB PRO 10 9.638 -0.073 6.049 47 HB3 PRO 10 1HB PRO 10 8.121 0.790 6.329 48 HG2 PRO 10 1HG PRO 10 9.186 2.838 6.582 49 HG3 PRO 10 2HG PRO 10 10.429 1.759 7.242 50 HD2 PRO 10 1HD PRO 10 10.924 3.483 5.213 51 HD3 PRO 10 2HD PRO 10 11.745 1.916 5.356 52 H VAL 11 H VAL 11 6.843 -0.001 3.460 53 HA VAL 11 HA VAL 11 5.460 2.325 2.612 54 HB VAL 11 HB VAL 11 4.337 -0.426 3.158 55 HG11 VAL 11 1HG1 VAL 11 3.253 1.692 1.316 56 HG12 VAL 11 2HG1 VAL 11 2.481 0.187 1.819 57 HG13 VAL 11 3HG1 VAL 11 2.709 1.494 2.982 58 HG21 VAL 11 3HG2 VAL 11 4.555 -0.608 0.626 59 HG22 VAL 11 1HG2 VAL 11 5.641 0.778 0.733 60 HG23 VAL 11 2HG2 VAL 11 6.043 -0.724 1.566 61 H GLU 12 H GLU 12 5.602 0.578 5.612 62 HA GLU 12 HA GLU 12 3.198 1.491 6.766 63 HB2 GLU 12 1HB GLU 12 3.927 0.514 8.721 64 HB3 GLU 12 2HB GLU 12 4.899 -0.351 7.539 65 HG2 GLU 12 1HG GLU 12 6.777 1.145 7.988 66 HG3 GLU 12 2HG GLU 12 5.803 2.005 9.179 67 H THR 13 H THR 13 6.063 3.122 5.997 68 HA THR 13 HA THR 13 5.463 5.284 7.902 69 HB THR 13 HB THR 13 7.727 6.080 7.592 70 HG1 THR 13 1HG THR 13 7.850 4.024 5.634 71 HG21 THR 13 3HG2 THR 13 7.710 4.525 9.318 72 HG22 THR 13 1HG2 THR 13 8.981 3.907 8.265 73 HG23 THR 13 2HG2 THR 13 7.377 3.175 8.234 74 H TRP 14 H TRP 14 5.636 4.432 4.556 75 HA TRP 14 HA TRP 14 6.011 6.759 3.210 76 HB2 TRP 14 1HB TRP 14 3.980 4.585 2.697 77 HB3 TRP 14 2HB TRP 14 4.270 5.904 1.566 78 HD1 TRP 14 HD TRP 14 7.478 4.958 3.102 79 HE1 TRP 14 1HE TRP 14 8.838 3.450 1.520 80 HE3 TRP 14 3HE TRP 14 3.808 3.792 -0.260 81 HZ2 TRP 14 2HZ TRP 14 8.411 1.964 -0.841 82 HZ3 TRP 14 3HZ TRP 14 4.367 2.321 -2.152 83 HH2 TRP 14 HH TRP 14 6.621 1.428 -2.435 84 H THR 15 H THR 15 4.424 8.251 2.200 85 HA THR 15 HA THR 15 2.519 9.166 4.231 86 HB THR 15 HB THR 15 2.492 11.194 2.492 87 HG1 THR 15 1HG THR 15 4.055 9.912 1.163 88 HG21 THR 15 3HG2 THR 15 4.618 10.627 4.557 89 HG22 THR 15 1HG2 THR 15 3.088 11.469 4.800 90 HG23 THR 15 2HG2 THR 15 4.355 12.207 3.821 91 HA PRO 16 HA PRO 16 -1.071 8.258 1.877 92 HB2 PRO 16 2HB PRO 16 -2.304 9.226 3.557 93 HB3 PRO 16 1HB PRO 16 -2.626 10.440 2.313 94 HG2 PRO 16 1HG PRO 16 -1.018 11.897 3.138 95 HG3 PRO 16 2HG PRO 16 -1.550 11.136 4.649 96 HD2 PRO 16 1HD PRO 16 1.040 11.156 3.861 97 HD3 PRO 16 2HD PRO 16 0.338 9.823 4.799 98 H GLY 17 H GLY 17 1.079 10.555 0.885 99 HA2 GLY 17 1HA GLY 17 -0.556 11.493 -1.365 100 HA3 GLY 17 2HA GLY 17 0.996 12.155 -0.875 101 H LYS 18 H LYS 18 1.976 9.277 -0.622 102 HA LYS 18 HA LYS 18 2.791 9.044 -3.414 103 HB2 LYS 18 1HB LYS 18 3.786 7.486 -1.023 104 HB3 LYS 18 2HB LYS 18 4.532 7.570 -2.614 105 HG2 LYS 18 1HG LYS 18 5.345 9.696 -2.272 106 HG3 LYS 18 2HG LYS 18 4.135 10.075 -1.044 107 HD2 LYS 18 1HD LYS 18 6.179 9.814 0.114 108 HD3 LYS 18 2HD LYS 18 5.263 8.335 0.411 109 HE2 LYS 18 1HE LYS 18 6.539 7.173 -1.292 110 HE3 LYS 18 2HE LYS 18 7.403 8.656 -1.691 111 HZ1 LYS 18 3HZ LYS 18 8.593 7.043 -0.193 112 HZ2 LYS 18 1HZ LYS 18 7.480 7.452 1.013 113 HZ3 LYS 18 2HZ LYS 18 8.503 8.635 0.370 114 H VAL 19 H VAL 19 1.298 7.093 -0.859 115 HA VAL 19 HA VAL 19 1.044 4.650 -2.001 116 HB VAL 19 HB VAL 19 -1.009 6.190 -0.424 117 HG11 VAL 19 1HG1 VAL 19 -1.763 3.631 -0.073 118 HG12 VAL 19 2HG1 VAL 19 -2.486 4.706 -1.272 119 HG13 VAL 19 3HG1 VAL 19 -1.228 3.565 -1.752 120 HG21 VAL 19 3HG2 VAL 19 0.269 3.780 0.667 121 HG22 VAL 19 1HG2 VAL 19 1.362 5.130 0.358 122 HG23 VAL 19 2HG2 VAL 19 -0.030 5.348 1.419 123 H ALA 20 H ALA 20 -0.662 7.563 -2.924 124 HA ALA 20 HA ALA 20 -2.652 6.396 -4.535 125 HB1 ALA 20 3HB ALA 20 -2.093 8.848 -5.698 126 HB2 ALA 20 1HB ALA 20 -3.270 8.531 -4.423 127 HB3 ALA 20 2HB ALA 20 -1.638 9.056 -4.007 128 H THR 21 H THR 21 0.647 7.445 -5.244 129 HA THR 21 HA THR 21 0.510 7.033 -8.044 130 HB THR 21 HB THR 21 2.974 6.956 -6.293 131 HG1 THR 21 1HG THR 21 1.435 9.073 -7.343 132 HG21 THR 21 3HG2 THR 21 4.181 7.561 -8.298 133 HG22 THR 21 1HG2 THR 21 2.680 7.642 -9.220 134 HG23 THR 21 2HG2 THR 21 3.255 6.092 -8.605 135 H TRP 22 H TRP 22 1.450 4.977 -5.338 136 HA TRP 22 HA TRP 22 2.391 2.828 -6.966 137 HB2 TRP 22 1HB TRP 22 3.225 3.010 -4.718 138 HB3 TRP 22 2HB TRP 22 1.594 2.968 -4.054 139 HD1 TRP 22 HD TRP 22 4.212 0.668 -5.682 140 HE1 TRP 22 1HE TRP 22 3.646 -1.766 -5.069 141 HE3 TRP 22 3HE TRP 22 -0.264 1.442 -3.336 142 HZ2 TRP 22 2HZ TRP 22 1.575 -3.173 -3.764 143 HZ3 TRP 22 3HZ TRP 22 -1.474 -0.501 -2.433 144 HH2 TRP 22 HH TRP 22 -0.572 -2.760 -2.644 145 H LEU 23 H LEU 23 -0.577 3.312 -5.052 146 HA LEU 23 HA LEU 23 -1.879 0.956 -5.625 147 HB2 LEU 23 1HB LEU 23 -2.773 3.718 -4.998 148 HB3 LEU 23 2HB LEU 23 -3.982 2.572 -5.572 149 HG LEU 23 HG LEU 23 -2.221 1.842 -3.268 150 HD11 LEU 23 1HD1 LEU 23 -4.827 3.237 -2.827 151 HD12 LEU 23 2HD1 LEU 23 -3.337 4.164 -2.999 152 HD13 LEU 23 3HD1 LEU 23 -3.491 2.975 -1.706 153 HD21 LEU 23 3HD2 LEU 23 -3.811 0.253 -4.462 154 HD22 LEU 23 1HD2 LEU 23 -5.116 1.205 -3.755 155 HD23 LEU 23 2HD2 LEU 23 -3.966 0.372 -2.709 156 H ARG 24 H ARG 24 -1.866 3.950 -7.530 157 HA ARG 24 HA ARG 24 -3.588 2.954 -9.564 158 HB2 ARG 24 1HB ARG 24 -2.956 5.410 -8.950 159 HB3 ARG 24 2HB ARG 24 -1.596 5.146 -10.032 160 HG2 ARG 24 1HG ARG 24 -4.343 4.502 -10.983 161 HG3 ARG 24 2HG ARG 24 -3.826 6.188 -10.908 162 HD2 ARG 24 1HD ARG 24 -1.774 5.459 -12.215 163 HD3 ARG 24 2HD ARG 24 -2.616 3.935 -12.491 164 HE ARG 24 HE ARG 24 -4.416 5.774 -13.306 165 HH11 ARG 24 2HH1 ARG 24 -1.053 5.251 -14.040 166 HH12 ARG 24 1HH1 ARG 24 -1.169 5.893 -15.645 167 HH21 ARG 24 1HH2 ARG 24 -3.176 6.673 -16.427 168 HH22 ARG 24 2HH2 ARG 24 -4.581 6.622 -15.417 169 H GLY 25 H GLY 25 -0.131 2.898 -9.037 170 HA2 GLY 25 1HA GLY 25 0.348 1.843 -11.723 171 HA3 GLY 25 2HA GLY 25 1.578 2.293 -10.551 172 H LEU 26 H LEU 26 -0.917 0.436 -9.209 173 HA LEU 26 HA LEU 26 0.868 -1.877 -9.083 174 HB2 LEU 26 1HB LEU 26 -0.032 -2.364 -7.074 175 HB3 LEU 26 2HB LEU 26 -0.440 -0.650 -7.110 176 HG LEU 26 HG LEU 26 -2.684 -1.495 -8.143 177 HD11 LEU 26 1HD1 LEU 26 -1.637 -3.879 -8.181 178 HD12 LEU 26 2HD1 LEU 26 -3.329 -3.666 -7.734 179 HD13 LEU 26 3HD1 LEU 26 -2.110 -3.907 -6.482 180 HD21 LEU 26 3HD2 LEU 26 -1.741 -1.240 -5.378 181 HD22 LEU 26 1HD2 LEU 26 -3.241 -2.149 -5.564 182 HD23 LEU 26 2HD2 LEU 26 -3.127 -0.500 -6.181 183 H ASP 27 H ASP 27 -2.342 -0.928 -10.143 184 HA ASP 27 HA ASP 27 -2.471 -3.184 -11.922 185 HB2 ASP 27 1HB ASP 27 -4.149 -3.060 -9.449 186 HB3 ASP 27 2HB ASP 27 -4.851 -3.725 -10.922 187 H ASP 28 H ASP 28 -3.794 -2.811 -13.647 188 HA ASP 28 HA ASP 28 -4.633 -0.146 -14.119 189 HB2 ASP 28 1HB ASP 28 -3.931 -2.027 -15.795 190 HB3 ASP 28 2HB ASP 28 -5.638 -2.458 -15.744 191 H SER 29 H SER 29 -6.481 -3.158 -13.665 192 HA SER 29 HA SER 29 -9.038 -2.165 -13.864 193 HB2 SER 29 1HB SER 29 -7.924 -4.359 -12.115 194 HB3 SER 29 2HB SER 29 -9.651 -4.016 -12.218 195 HG SER 29 HG SER 29 -9.047 -4.166 -14.658 196 H LEU 30 H LEU 30 -6.734 -1.703 -11.320 197 HA LEU 30 HA LEU 30 -8.765 -0.551 -9.555 198 HB2 LEU 30 1HB LEU 30 -5.855 -0.735 -8.895 199 HB3 LEU 30 2HB LEU 30 -7.243 -0.730 -7.810 200 HG LEU 30 HG LEU 30 -6.509 -3.024 -9.625 201 HD11 LEU 30 1HD1 LEU 30 -4.987 -2.293 -7.567 202 HD12 LEU 30 2HD1 LEU 30 -5.291 -3.982 -7.971 203 HD13 LEU 30 3HD1 LEU 30 -6.213 -3.203 -6.686 204 HD21 LEU 30 3HD2 LEU 30 -8.088 -4.273 -8.227 205 HD22 LEU 30 1HD2 LEU 30 -8.873 -2.931 -9.061 206 HD23 LEU 30 2HD2 LEU 30 -8.475 -2.793 -7.348 207 H GLN 31 H GLN 31 -6.088 0.320 -11.598 208 HA GLN 31 HA GLN 31 -5.355 2.798 -10.693 209 HB2 GLN 31 1HB GLN 31 -4.444 3.179 -12.776 210 HB3 GLN 31 2HB GLN 31 -4.626 1.430 -12.808 211 HG2 GLN 31 1HG GLN 31 -5.522 1.906 -14.826 212 HG3 GLN 31 2HG GLN 31 -6.977 2.072 -13.845 213 HE21 GLN 31 2HE2 GLN 31 -6.491 4.997 -16.147 214 HE22 GLN 31 1HE2 GLN 31 -6.445 3.286 -16.383 215 H ASP 32 H ASP 32 -8.380 1.852 -12.061 216 HA ASP 32 HA ASP 32 -9.300 4.396 -12.890 217 HB2 ASP 32 1HB ASP 32 -10.326 2.253 -13.604 218 HB3 ASP 32 2HB ASP 32 -10.930 2.021 -11.965 219 H TYR 33 H TYR 33 -9.815 2.549 -9.893 220 HA TYR 33 HA TYR 33 -11.494 4.219 -8.531 221 HB2 TYR 33 1HB TYR 33 -9.221 2.490 -7.598 222 HB3 TYR 33 2HB TYR 33 -10.143 3.451 -6.447 223 HD1 TYR 33 2HD TYR 33 -12.520 2.966 -6.048 224 HD2 TYR 33 1HD TYR 33 -10.172 0.543 -8.639 225 HE1 TYR 33 2HE TYR 33 -14.234 1.205 -5.945 226 HE2 TYR 33 1HE TYR 33 -11.880 -1.225 -8.544 227 HH TYR 33 HH TYR 33 -14.767 -0.882 -6.511 228 HA PRO 34 HA PRO 34 -9.353 8.037 -8.015 229 HB2 PRO 34 2HB PRO 34 -11.419 8.956 -7.602 230 HB3 PRO 34 1HB PRO 34 -10.805 9.029 -5.946 231 HG2 PRO 34 1HG PRO 34 -11.931 7.102 -5.308 232 HG3 PRO 34 2HG PRO 34 -13.072 7.746 -6.503 233 HD2 PRO 34 1HD PRO 34 -12.040 5.248 -6.673 234 HD3 PRO 34 2HD PRO 34 -12.455 6.209 -8.106 235 H PHE 35 H PHE 35 -7.402 6.885 -7.268 236 HA PHE 35 HA PHE 35 -7.015 6.345 -4.496 237 HB2 PHE 35 1HB PHE 35 -5.062 6.636 -6.784 238 HB3 PHE 35 2HB PHE 35 -4.595 6.157 -5.155 239 HD1 PHE 35 2HD PHE 35 -6.627 4.300 -4.339 240 HD2 PHE 35 1HD PHE 35 -4.839 4.816 -8.167 241 HE1 PHE 35 2HE PHE 35 -7.128 1.954 -4.885 242 HE2 PHE 35 1HE PHE 35 -5.338 2.471 -8.720 243 HZ PHE 35 HZ PHE 35 -6.482 1.036 -7.077 244 H GLU 36 H GLU 36 -6.133 9.016 -6.642 245 HA GLU 36 HA GLU 36 -4.556 10.489 -4.886 246 HB2 GLU 36 1HB GLU 36 -5.248 10.843 -7.427 247 HB3 GLU 36 2HB GLU 36 -6.412 11.946 -6.706 248 HG2 GLU 36 1HG GLU 36 -4.442 12.997 -5.501 249 HG3 GLU 36 2HG GLU 36 -3.418 12.068 -6.594 250 H ASP 37 H ASP 37 -7.964 9.972 -4.911 251 HA ASP 37 HA ASP 37 -8.476 12.204 -3.105 252 HB2 ASP 37 1HB ASP 37 -10.012 11.397 -5.060 253 HB3 ASP 37 2HB ASP 37 -10.542 10.181 -3.901 254 H TRP 38 H TRP 38 -8.088 8.753 -3.072 255 HA TRP 38 HA TRP 38 -9.355 7.978 -0.767 256 HB2 TRP 38 1HB TRP 38 -6.786 7.096 -2.045 257 HB3 TRP 38 2HB TRP 38 -7.298 6.393 -0.514 258 HD1 TRP 38 HD TRP 38 -10.094 7.217 -2.900 259 HE1 TRP 38 1HE TRP 38 -11.039 5.041 -3.898 260 HE3 TRP 38 3HE TRP 38 -6.521 3.950 -1.256 261 HZ2 TRP 38 2HZ TRP 38 -10.360 2.302 -3.978 262 HZ3 TRP 38 3HZ TRP 38 -6.743 1.569 -1.836 263 HH2 TRP 38 HH TRP 38 -8.624 0.764 -3.168 264 H GLN 39 H GLN 39 -6.181 9.527 -1.062 265 HA GLN 39 HA GLN 39 -4.790 10.472 0.476 266 HB2 GLN 39 1HB GLN 39 -7.475 11.088 1.711 267 HB3 GLN 39 2HB GLN 39 -5.961 11.770 2.289 268 HG2 GLN 39 1HG GLN 39 -6.945 12.086 -0.533 269 HG3 GLN 39 2HG GLN 39 -7.299 13.233 0.759 270 HE21 GLN 39 2HE2 GLN 39 -4.188 14.043 -1.294 271 HE22 GLN 39 1HE2 GLN 39 -5.724 13.418 -1.778 272 H LEU 40 H LEU 40 -5.051 7.717 0.778 273 HA LEU 40 HA LEU 40 -5.277 7.249 3.655 274 HB2 LEU 40 1HB LEU 40 -6.428 5.677 2.239 275 HB3 LEU 40 2HB LEU 40 -4.953 5.366 1.325 276 HG LEU 40 HG LEU 40 -4.086 4.593 3.713 277 HD11 LEU 40 1HD1 LEU 40 -7.025 4.698 3.950 278 HD12 LEU 40 2HD1 LEU 40 -5.778 4.795 5.193 279 HD13 LEU 40 3HD1 LEU 40 -6.243 3.228 4.532 280 HD21 LEU 40 3HD2 LEU 40 -3.889 2.785 2.439 281 HD22 LEU 40 1HD2 LEU 40 -5.216 3.309 1.402 282 HD23 LEU 40 2HD2 LEU 40 -5.552 2.370 2.856 283 HA PRO 41 HA PRO 41 -0.860 7.615 4.020 284 HB2 PRO 41 2HB PRO 41 -1.265 8.501 6.101 285 HB3 PRO 41 1HB PRO 41 -0.726 6.905 6.637 286 HG2 PRO 41 1HG PRO 41 -2.896 6.133 6.936 287 HG3 PRO 41 2HG PRO 41 -3.117 7.844 7.344 288 HD2 PRO 41 1HD PRO 41 -4.574 6.603 5.428 289 HD3 PRO 41 2HD PRO 41 -4.138 8.322 5.333 290 H GLY 42 H GLY 42 0.954 6.239 4.397 291 HA2 GLY 42 1HA GLY 42 0.679 3.621 3.449 292 HA3 GLY 42 2HA GLY 42 2.104 4.259 4.255 293 H LYS 43 H LYS 43 1.513 4.637 6.766 294 HA LYS 43 HA LYS 43 1.668 2.304 8.078 295 HB2 LYS 43 1HB LYS 43 0.205 3.583 9.916 296 HB3 LYS 43 2HB LYS 43 1.871 4.021 9.559 297 HG2 LYS 43 1HG LYS 43 -0.233 5.341 7.954 298 HG3 LYS 43 2HG LYS 43 -0.106 5.800 9.654 299 HD2 LYS 43 1HD LYS 43 2.402 5.667 8.070 300 HD3 LYS 43 2HD LYS 43 1.301 7.008 7.747 301 HE2 LYS 43 1HE LYS 43 2.464 6.258 10.429 302 HE3 LYS 43 2HE LYS 43 2.955 7.623 9.427 303 HZ1 LYS 43 3HZ LYS 43 0.897 7.517 11.321 304 HZ2 LYS 43 1HZ LYS 43 0.189 7.770 9.805 305 HZ3 LYS 43 2HZ LYS 43 1.379 8.831 10.370 306 H ASN 44 H ASN 44 -1.358 3.825 7.053 307 HA ASN 44 HA ASN 44 -2.998 1.755 8.182 308 HB2 ASN 44 1HB ASN 44 -3.457 4.209 6.554 309 HB3 ASN 44 2HB ASN 44 -4.702 2.963 6.524 310 HD21 ASN 44 2HD2 ASN 44 -6.094 4.430 9.326 311 HD22 ASN 44 1HD2 ASN 44 -6.260 3.932 7.680 312 H LEU 45 H LEU 45 -1.698 2.524 5.002 313 HA LEU 45 HA LEU 45 -3.104 0.909 3.327 314 HB2 LEU 45 1HB LEU 45 -1.220 2.344 2.659 315 HB3 LEU 45 2HB LEU 45 -0.101 1.182 3.370 316 HG LEU 45 HG LEU 45 -0.895 -0.498 1.710 317 HD11 LEU 45 1HD1 LEU 45 -3.013 1.151 1.344 318 HD12 LEU 45 2HD1 LEU 45 -2.509 -0.096 0.204 319 HD13 LEU 45 3HD1 LEU 45 -2.008 1.577 -0.042 320 HD21 LEU 45 3HD2 LEU 45 0.907 0.134 0.584 321 HD22 LEU 45 1HD2 LEU 45 0.825 1.724 1.343 322 HD23 LEU 45 2HD2 LEU 45 -0.011 1.431 -0.182 323 H LEU 46 H LEU 46 -0.095 -0.193 4.900 324 HA LEU 46 HA LEU 46 -0.457 -2.905 4.298 325 HB2 LEU 46 1HB LEU 46 1.067 -1.680 6.593 326 HB3 LEU 46 2HB LEU 46 1.248 -3.330 5.999 327 HG LEU 46 HG LEU 46 1.825 -0.914 4.298 328 HD11 LEU 46 1HD1 LEU 46 3.478 -2.246 6.371 329 HD12 LEU 46 2HD1 LEU 46 3.445 -0.560 5.856 330 HD13 LEU 46 3HD1 LEU 46 4.265 -1.768 4.866 331 HD21 LEU 46 3HD2 LEU 46 2.539 -2.361 2.726 332 HD22 LEU 46 1HD2 LEU 46 1.469 -3.487 3.562 333 HD23 LEU 46 2HD2 LEU 46 3.198 -3.491 3.911 334 H GLN 47 H GLN 47 -1.988 -0.924 6.608 335 HA GLN 47 HA GLN 47 -2.847 -3.234 8.201 336 HB2 GLN 47 1HB GLN 47 -3.127 -0.269 8.717 337 HB3 GLN 47 2HB GLN 47 -3.735 -1.531 9.779 338 HG2 GLN 47 1HG GLN 47 -0.866 -0.939 9.106 339 HG3 GLN 47 2HG GLN 47 -1.672 -0.727 10.659 340 HE21 GLN 47 2HE2 GLN 47 -1.493 -4.110 11.584 341 HE22 GLN 47 1HE2 GLN 47 -2.320 -2.612 11.819 342 H LEU 48 H LEU 48 -3.788 -2.218 5.440 343 HA LEU 48 HA LEU 48 -6.412 -1.283 5.630 344 HB2 LEU 48 1HB LEU 48 -4.823 -2.715 3.573 345 HB3 LEU 48 2HB LEU 48 -6.573 -2.669 3.369 346 HG LEU 48 HG LEU 48 -4.670 -0.334 3.450 347 HD11 LEU 48 1HD1 LEU 48 -6.617 -0.692 1.276 348 HD12 LEU 48 2HD1 LEU 48 -5.340 -1.905 1.358 349 HD13 LEU 48 3HD1 LEU 48 -4.925 -0.196 1.221 350 HD21 LEU 48 3HD2 LEU 48 -7.108 0.700 2.806 351 HD22 LEU 48 1HD2 LEU 48 -6.361 0.786 4.402 352 HD23 LEU 48 2HD2 LEU 48 -7.534 -0.482 4.045 353 H CYS 49 H CYS 49 -8.249 -2.771 4.579 354 HA CYS 49 HA CYS 49 -8.287 -5.490 5.451 355 HB2 CYS 49 1HB CYS 49 -9.486 -3.371 7.163 356 HB3 CYS 49 2HB CYS 49 -10.399 -4.861 6.962 357 HG CYS 49 HG CYS 49 -7.987 -6.373 7.735 358 HA PRO 50 HA PRO 50 -11.511 -5.786 2.495 359 HB2 PRO 50 2HB PRO 50 -11.510 -8.056 2.854 360 HB3 PRO 50 1HB PRO 50 -13.104 -7.720 3.541 361 HG2 PRO 50 1HG PRO 50 -12.307 -7.734 5.722 362 HG3 PRO 50 2HG PRO 50 -11.224 -8.932 4.989 363 HD2 PRO 50 1HD PRO 50 -10.307 -6.744 6.294 364 HD3 PRO 50 2HD PRO 50 -9.446 -7.467 4.920 365 H GLN 51 H GLN 51 -12.373 -5.110 5.799 366 HA GLN 51 HA GLN 51 -15.096 -4.363 5.100 367 HB2 GLN 51 1HB GLN 51 -15.349 -3.891 7.504 368 HB3 GLN 51 2HB GLN 51 -14.747 -5.517 7.212 369 HG2 GLN 51 1HG GLN 51 -13.342 -4.921 8.879 370 HG3 GLN 51 2HG GLN 51 -12.413 -4.304 7.514 371 HE21 GLN 51 2HE2 GLN 51 -12.521 -1.680 10.083 372 HE22 GLN 51 1HE2 GLN 51 -11.922 -3.296 9.958 373 H SER 52 H SER 52 -12.077 -2.845 6.124 374 HA SER 52 HA SER 52 -13.110 -0.216 6.344 375 HB2 SER 52 1HB SER 52 -10.298 -1.249 5.934 376 HB3 SER 52 2HB SER 52 -10.678 0.455 6.184 377 HG SER 52 HG SER 52 -11.618 -0.147 8.193 378 H LEU 53 H LEU 53 -11.639 -2.028 3.703 379 HA LEU 53 HA LEU 53 -11.209 -0.002 1.870 380 HB2 LEU 53 1HB LEU 53 -11.805 -2.901 1.682 381 HB3 LEU 53 2HB LEU 53 -11.949 -1.945 0.208 382 HG LEU 53 HG LEU 53 -9.440 -1.768 1.813 383 HD11 LEU 53 1HD1 LEU 53 -9.306 -3.768 -0.276 384 HD12 LEU 53 2HD1 LEU 53 -10.415 -4.230 1.014 385 HD13 LEU 53 3HD1 LEU 53 -8.739 -3.835 1.392 386 HD21 LEU 53 3HD2 LEU 53 -8.564 -0.879 -0.067 387 HD22 LEU 53 1HD2 LEU 53 -10.254 -0.525 -0.427 388 HD23 LEU 53 2HD2 LEU 53 -9.481 -1.946 -1.131 389 H GLU 54 H GLU 54 -14.189 -1.796 2.537 390 HA GLU 54 HA GLU 54 -15.830 -0.944 0.529 391 HB2 GLU 54 1HB GLU 54 -16.662 -1.081 3.430 392 HB3 GLU 54 2HB GLU 54 -17.698 -1.271 2.022 393 HG2 GLU 54 1HG GLU 54 -16.372 -3.298 1.419 394 HG3 GLU 54 2HG GLU 54 -15.541 -3.140 2.966 395 H ALA 55 H ALA 55 -14.850 0.859 3.395 396 HA ALA 55 HA ALA 55 -16.569 3.030 3.221 397 HB1 ALA 55 3HB ALA 55 -13.761 3.589 3.980 398 HB2 ALA 55 1HB ALA 55 -15.266 4.009 4.799 399 HB3 ALA 55 2HB ALA 55 -14.625 2.370 4.917 400 H LEU 56 H LEU 56 -13.578 2.379 1.474 401 HA LEU 56 HA LEU 56 -13.648 4.956 0.147 402 HB2 LEU 56 1HB LEU 56 -11.843 2.616 -0.425 403 HB3 LEU 56 2HB LEU 56 -11.600 4.296 -0.898 404 HG LEU 56 HG LEU 56 -11.555 3.283 1.944 405 HD11 LEU 56 1HD1 LEU 56 -9.638 2.884 -0.008 406 HD12 LEU 56 2HD1 LEU 56 -9.389 2.816 1.737 407 HD13 LEU 56 3HD1 LEU 56 -9.072 4.312 0.858 408 HD21 LEU 56 3HD2 LEU 56 -11.255 5.407 2.628 409 HD22 LEU 56 1HD2 LEU 56 -12.082 5.801 1.121 410 HD23 LEU 56 2HD2 LEU 56 -10.321 5.849 1.198 411 H ALA 57 H ALA 57 -15.848 3.024 -0.225 412 HA ALA 57 HA ALA 57 -17.236 2.356 -1.901 413 HB1 ALA 57 3HB ALA 57 -15.467 4.308 -3.261 414 HB2 ALA 57 1HB ALA 57 -16.463 3.263 -4.275 415 HB3 ALA 57 2HB ALA 57 -17.220 4.306 -3.071 416 H VAL 58 H VAL 58 -15.007 0.701 -1.101 417 HA VAL 58 HA VAL 58 -14.620 -0.827 -3.593 418 HB VAL 58 HB VAL 58 -12.704 -0.645 -1.263 419 HG11 VAL 58 1HG1 VAL 58 -11.333 -1.814 -3.294 420 HG12 VAL 58 2HG1 VAL 58 -12.121 -2.693 -1.982 421 HG13 VAL 58 3HG1 VAL 58 -12.943 -2.494 -3.530 422 HG21 VAL 58 3HG2 VAL 58 -12.874 0.738 -3.878 423 HG22 VAL 58 1HG2 VAL 58 -12.235 1.303 -2.334 424 HG23 VAL 58 2HG2 VAL 58 -11.276 0.219 -3.343 425 H ARG 59 H ARG 59 -16.622 -1.908 -3.013 426 HA ARG 59 HA ARG 59 -16.462 -3.680 -0.688 427 HB2 ARG 59 1HB ARG 59 -18.727 -2.910 -2.524 428 HB3 ARG 59 2HB ARG 59 -18.865 -4.205 -1.342 429 HG2 ARG 59 1HG ARG 59 -18.059 -2.365 0.329 430 HG3 ARG 59 2HG ARG 59 -18.649 -1.266 -0.919 431 HD2 ARG 59 1HD ARG 59 -20.839 -1.976 -0.692 432 HD3 ARG 59 2HD ARG 59 -20.371 -3.523 0.011 433 HE ARG 59 HE ARG 59 -20.369 -2.544 2.081 434 HH11 ARG 59 2HH1 ARG 59 -20.380 -0.062 -0.360 435 HH12 ARG 59 1HH1 ARG 59 -20.634 1.228 0.768 436 HH21 ARG 59 1HH2 ARG 59 -20.818 0.777 3.007 437 HH22 ARG 59 2HH2 ARG 59 -20.704 -0.854 3.576 438 H SER 60 H SER 60 -16.877 -3.770 -4.201 439 HA SER 60 HA SER 60 -17.329 -6.414 -4.677 440 HB2 SER 60 1HB SER 60 -16.875 -4.396 -6.310 441 HB3 SER 60 2HB SER 60 -15.238 -5.051 -6.332 442 HG SER 60 HG SER 60 -15.914 -6.728 -7.434 443 H LEU 61 H LEU 61 -16.370 -8.208 -4.015 444 HA LEU 61 HA LEU 61 -14.009 -8.376 -2.594 445 HB2 LEU 61 1HB LEU 61 -15.860 -10.110 -2.894 446 HB3 LEU 61 2HB LEU 61 -15.002 -10.598 -4.355 447 HG LEU 61 HG LEU 61 -14.475 -12.078 -2.503 448 HD11 LEU 61 1HD1 LEU 61 -12.757 -11.410 -4.242 449 HD12 LEU 61 2HD1 LEU 61 -12.135 -12.101 -2.744 450 HD13 LEU 61 3HD1 LEU 61 -12.063 -10.358 -3.008 451 HD21 LEU 61 3HD2 LEU 61 -14.315 -11.302 -0.432 452 HD22 LEU 61 1HD2 LEU 61 -14.405 -9.643 -1.024 453 HD23 LEU 61 2HD2 LEU 61 -12.840 -10.443 -0.877 454 H GLY 62 H GLY 62 -14.470 -9.265 -6.023 455 HA2 GLY 62 1HA GLY 62 -12.032 -10.005 -6.833 456 HA3 GLY 62 2HA GLY 62 -13.011 -8.911 -7.799 457 H HIS 63 H HIS 63 -12.866 -6.545 -7.023 458 HA HIS 63 HA HIS 63 -10.326 -5.583 -7.473 459 HB2 HIS 63 1HB HIS 63 -12.742 -4.383 -6.157 460 HB3 HIS 63 2HB HIS 63 -11.234 -3.476 -6.231 461 HD1 HIS 63 1HD HIS 63 -14.077 -3.004 -7.791 462 HD2 HIS 63 2HD HIS 63 -10.458 -4.309 -9.358 463 HE1 HIS 63 1HE HIS 63 -14.166 -2.447 -10.242 464 HE2 HIS 63 2HE HIS 63 -12.001 -3.322 -11.185 465 H GLN 64 H GLN 64 -11.915 -6.153 -4.353 466 HA GLN 64 HA GLN 64 -9.927 -5.142 -2.687 467 HB2 GLN 64 1HB GLN 64 -12.067 -7.203 -2.359 468 HB3 GLN 64 2HB GLN 64 -10.863 -7.016 -1.091 469 HG2 GLN 64 1HG GLN 64 -11.465 -4.686 -0.823 470 HG3 GLN 64 2HG GLN 64 -12.622 -4.815 -2.147 471 HE21 GLN 64 2HE2 GLN 64 -15.088 -5.397 0.208 472 HE22 GLN 64 1HE2 GLN 64 -14.475 -4.422 -1.079 473 H GLU 65 H GLU 65 -10.270 -8.345 -4.140 474 HA GLU 65 HA GLU 65 -8.181 -9.627 -2.791 475 HB2 GLU 65 1HB GLU 65 -9.726 -10.936 -4.062 476 HB3 GLU 65 2HB GLU 65 -9.344 -10.064 -5.540 477 HG2 GLU 65 1HG GLU 65 -6.934 -10.986 -5.095 478 HG3 GLU 65 2HG GLU 65 -7.801 -12.183 -4.134 479 H LEU 66 H LEU 66 -8.177 -7.782 -5.819 480 HA LEU 66 HA LEU 66 -5.513 -8.202 -6.540 481 HB2 LEU 66 1HB LEU 66 -7.460 -5.988 -7.068 482 HB3 LEU 66 2HB LEU 66 -5.800 -5.887 -7.651 483 HG LEU 66 HG LEU 66 -7.604 -8.193 -8.339 484 HD11 LEU 66 1HD1 LEU 66 -8.703 -6.142 -9.068 485 HD12 LEU 66 2HD1 LEU 66 -8.090 -7.059 -10.444 486 HD13 LEU 66 3HD1 LEU 66 -7.224 -5.629 -9.880 487 HD21 LEU 66 3HD2 LEU 66 -5.098 -8.342 -8.610 488 HD22 LEU 66 1HD2 LEU 66 -5.240 -7.070 -9.823 489 HD23 LEU 66 2HD2 LEU 66 -6.048 -8.618 -10.072 490 H ILE 67 H ILE 67 -6.815 -5.227 -5.059 491 HA ILE 67 HA ILE 67 -4.455 -3.989 -4.434 492 HB ILE 67 HB ILE 67 -6.932 -3.995 -2.705 493 HG12 ILE 67 1HG1 ILE 67 -6.144 -2.147 -4.968 494 HG13 ILE 67 2HG1 ILE 67 -7.373 -3.403 -5.069 495 HG21 ILE 67 1HG2 ILE 67 -6.138 -2.111 -1.637 496 HG22 ILE 67 2HG2 ILE 67 -4.663 -3.052 -1.846 497 HG23 ILE 67 3HG2 ILE 67 -5.018 -1.715 -2.939 498 HD11 ILE 67 3HD1 ILE 67 -8.660 -1.558 -4.691 499 HD12 ILE 67 1HD1 ILE 67 -8.407 -2.119 -3.038 500 HD13 ILE 67 2HD1 ILE 67 -7.447 -0.782 -3.673 501 H LEU 68 H LEU 68 -6.309 -6.043 -2.177 502 HA LEU 68 HA LEU 68 -4.512 -6.097 -0.090 503 HB2 LEU 68 1HB LEU 68 -6.470 -8.132 -1.098 504 HB3 LEU 68 2HB LEU 68 -5.475 -8.447 0.322 505 HG LEU 68 HG LEU 68 -7.319 -6.077 0.105 506 HD11 LEU 68 1HD1 LEU 68 -8.970 -7.600 0.142 507 HD12 LEU 68 2HD1 LEU 68 -8.542 -7.744 1.847 508 HD13 LEU 68 3HD1 LEU 68 -7.904 -8.899 0.677 509 HD21 LEU 68 3HD2 LEU 68 -7.090 -6.027 2.523 510 HD22 LEU 68 1HD2 LEU 68 -5.507 -5.925 1.752 511 HD23 LEU 68 2HD2 LEU 68 -6.041 -7.445 2.471 512 H GLY 69 H GLY 69 -4.445 -7.896 -3.099 513 HA2 GLY 69 1HA GLY 69 -2.432 -9.754 -2.339 514 HA3 GLY 69 2HA GLY 69 -2.901 -9.353 -3.985 515 H GLY 70 H GLY 70 -2.335 -6.496 -3.637 516 HA2 GLY 70 1HA GLY 70 0.489 -6.629 -4.239 517 HA3 GLY 70 2HA GLY 70 -0.538 -5.207 -4.348 518 H VAL 71 H VAL 71 -1.481 -5.693 -1.538 519 HA VAL 71 HA VAL 71 0.550 -4.116 -0.253 520 HB VAL 71 HB VAL 71 -1.981 -5.302 0.894 521 HG11 VAL 71 1HG1 VAL 71 -1.534 -4.314 2.861 522 HG12 VAL 71 2HG1 VAL 71 0.140 -4.356 2.304 523 HG13 VAL 71 3HG1 VAL 71 -0.822 -2.892 2.100 524 HG21 VAL 71 3HG2 VAL 71 -1.648 -3.243 -0.983 525 HG22 VAL 71 1HG2 VAL 71 -3.112 -3.667 -0.097 526 HG23 VAL 71 2HG2 VAL 71 -2.010 -2.452 0.551 527 H GLU 72 H GLU 72 -0.928 -7.285 0.465 528 HA GLU 72 HA GLU 72 0.562 -8.066 2.609 529 HB2 GLU 72 1HB GLU 72 0.199 -10.384 1.900 530 HB3 GLU 72 2HB GLU 72 -1.252 -9.416 1.685 531 HG2 GLU 72 1HG GLU 72 -0.771 -9.215 -0.699 532 HG3 GLU 72 2HG GLU 72 0.688 -10.181 -0.485 533 H GLN 73 H GLN 73 1.618 -7.741 -0.679 534 HA GLN 73 HA GLN 73 4.028 -9.269 -0.359 535 HB2 GLN 73 1HB GLN 73 3.019 -7.398 -2.493 536 HB3 GLN 73 2HB GLN 73 4.632 -8.097 -2.557 537 HG2 GLN 73 1HG GLN 73 2.165 -9.784 -2.305 538 HG3 GLN 73 2HG GLN 73 2.807 -9.270 -3.864 539 HE21 GLN 73 2HE2 GLN 73 4.534 -12.265 -1.768 540 HE22 GLN 73 1HE2 GLN 73 3.217 -11.341 -1.139 541 H LEU 74 H LEU 74 3.142 -5.859 -0.228 542 HA LEU 74 HA LEU 74 5.738 -4.790 -0.106 543 HB2 LEU 74 1HB LEU 74 3.064 -3.819 0.843 544 HB3 LEU 74 2HB LEU 74 4.531 -2.884 1.125 545 HG LEU 74 HG LEU 74 3.520 -3.691 -1.601 546 HD11 LEU 74 1HD1 LEU 74 3.402 -0.902 -1.209 547 HD12 LEU 74 2HD1 LEU 74 2.594 -1.653 0.166 548 HD13 LEU 74 3HD1 LEU 74 2.068 -2.025 -1.476 549 HD21 LEU 74 3HD2 LEU 74 6.045 -2.962 -0.857 550 HD22 LEU 74 1HD2 LEU 74 5.332 -1.414 -1.311 551 HD23 LEU 74 2HD2 LEU 74 5.356 -2.746 -2.466 552 H GLN 75 H GLN 75 3.443 -5.474 2.538 553 HA GLN 75 HA GLN 75 4.758 -4.778 4.749 554 HB2 GLN 75 1HB GLN 75 3.158 -7.216 4.124 555 HB3 GLN 75 2HB GLN 75 3.987 -7.141 5.673 556 HG2 GLN 75 1HG GLN 75 2.857 -4.898 6.006 557 HG3 GLN 75 2HG GLN 75 1.854 -5.315 4.618 558 HE21 GLN 75 2HE2 GLN 75 -0.216 -7.485 6.356 559 HE22 GLN 75 1HE2 GLN 75 0.230 -6.769 4.848 560 H ALA 76 H ALA 76 5.707 -7.386 2.619 561 HA ALA 76 HA ALA 76 7.646 -8.561 4.319 562 HB1 ALA 76 3HB ALA 76 7.437 -8.596 1.310 563 HB2 ALA 76 1HB ALA 76 8.486 -9.636 2.274 564 HB3 ALA 76 2HB ALA 76 6.733 -9.768 2.424 565 H LEU 77 H LEU 77 8.288 -6.752 1.314 566 HA LEU 77 HA LEU 77 10.964 -6.222 1.848 567 HB2 LEU 77 1HB LEU 77 10.660 -4.317 0.215 568 HB3 LEU 77 2HB LEU 77 10.223 -5.926 -0.356 569 HG LEU 77 HG LEU 77 7.811 -5.145 0.414 570 HD11 LEU 77 1HD1 LEU 77 8.386 -2.540 -0.659 571 HD12 LEU 77 2HD1 LEU 77 9.290 -2.814 0.830 572 HD13 LEU 77 3HD1 LEU 77 7.534 -2.983 0.821 573 HD21 LEU 77 3HD2 LEU 77 9.261 -4.513 -2.139 574 HD22 LEU 77 1HD2 LEU 77 7.536 -4.209 -1.939 575 HD23 LEU 77 2HD2 LEU 77 8.164 -5.851 -1.796 576 H SER 78 H SER 78 8.145 -4.107 2.364 577 HA SER 78 HA SER 78 9.322 -1.859 3.345 578 HB2 SER 78 1HB SER 78 6.957 -1.870 3.131 579 HB3 SER 78 2HB SER 78 6.788 -3.241 4.227 580 HG SER 78 HG SER 78 6.963 -1.943 5.899 581 H SER 79 H SER 79 8.424 -4.699 5.300 582 HA SER 79 HA SER 79 9.844 -3.659 7.595 583 HB2 SER 79 1HB SER 79 8.449 -6.313 7.174 584 HB3 SER 79 2HB SER 79 9.091 -5.732 8.710 585 HG SER 79 HG SER 79 7.035 -5.097 8.801 586 H ARG 80 H ARG 80 11.073 -5.689 8.777 587 HA ARG 80 HA ARG 80 13.247 -6.469 8.838 588 HB2 ARG 80 1HB ARG 80 13.462 -8.551 7.586 589 HB3 ARG 80 2HB ARG 80 11.860 -8.423 8.298 590 HG2 ARG 80 1HG ARG 80 10.824 -8.211 6.279 591 HG3 ARG 80 2HG ARG 80 12.229 -7.467 5.512 592 HD2 ARG 80 1HD ARG 80 12.193 -9.560 4.534 593 HD3 ARG 80 2HD ARG 80 13.327 -9.792 5.863 594 HE ARG 80 HE ARG 80 11.822 -11.209 6.870 595 HH11 ARG 80 2HH1 ARG 80 10.275 -9.523 4.246 596 HH12 ARG 80 1HH1 ARG 80 8.847 -10.503 4.286 597 HH21 ARG 80 1HH2 ARG 80 8.661 -12.199 5.815 598 HH22 ARG 80 2HH2 ARG 80 9.947 -12.506 6.932 599 H LEU 81 H LEU 81 13.503 -4.127 7.627 600 HA LEU 81 HA LEU 81 14.251 -3.736 5.084 601 HB2 LEU 81 1HB LEU 81 15.356 -2.749 7.653 602 HB3 LEU 81 2HB LEU 81 16.283 -2.416 6.191 603 HG LEU 81 HG LEU 81 14.522 -0.697 7.120 604 HD11 LEU 81 1HD1 LEU 81 15.290 0.255 5.269 605 HD12 LEU 81 2HD1 LEU 81 14.006 -0.564 4.380 606 HD13 LEU 81 3HD1 LEU 81 15.597 -1.313 4.523 607 HD21 LEU 81 3HD2 LEU 81 12.331 -0.930 6.322 608 HD22 LEU 81 1HD2 LEU 81 12.727 -2.508 7.004 609 HD23 LEU 81 2HD2 LEU 81 12.767 -2.267 5.257 610 H GLN 82 H GLN 82 15.931 -4.182 3.716 611 HA GLN 82 HA GLN 82 18.177 -5.764 4.714 612 HB2 GLN 82 1HB GLN 82 16.377 -7.325 3.919 613 HB3 GLN 82 2HB GLN 82 16.554 -6.624 2.316 614 HG2 GLN 82 1HG GLN 82 18.979 -7.299 2.417 615 HG3 GLN 82 2HG GLN 82 18.572 -8.217 3.866 616 HE21 GLN 82 2HE2 GLN 82 18.289 -10.099 0.520 617 HE22 GLN 82 1HE2 GLN 82 19.399 -8.861 0.987 618 H THR 83 H THR 83 19.949 -4.755 4.068 619 HA THR 83 HA THR 83 20.163 -2.674 2.308 620 HB THR 83 HB THR 83 22.275 -4.759 2.886 621 HG1 THR 83 1HG THR 83 21.925 -2.183 4.046 622 HG21 THR 83 3HG2 THR 83 23.773 -2.696 2.384 623 HG22 THR 83 1HG2 THR 83 22.371 -2.112 1.487 624 HG23 THR 83 2HG2 THR 83 23.131 -3.639 1.039 625 H GLU 84 H GLU 84 19.523 -2.599 0.255 626 HA GLU 84 HA GLU 84 20.622 -4.513 -1.636 627 HB2 GLU 84 1HB GLU 84 18.440 -4.962 -2.679 628 HB3 GLU 84 2HB GLU 84 18.507 -5.550 -1.024 629 HG2 GLU 84 1HG GLU 84 17.201 -3.702 -0.247 630 HG3 GLU 84 2HG GLU 84 17.262 -2.934 -1.832 631 H ASN 85 H ASN 85 20.193 -3.841 -3.912 632 HA ASN 85 HA ASN 85 20.311 -0.920 -4.086 633 HB2 ASN 85 1HB ASN 85 21.302 -3.155 -5.828 634 HB3 ASN 85 2HB ASN 85 21.083 -1.543 -6.502 635 HD21 ASN 85 2HD2 ASN 85 24.254 -2.418 -4.188 636 HD22 ASN 85 1HD2 ASN 85 23.035 -3.576 -4.586 637 H SER 86 H SER 86 19.467 -0.094 -6.320 638 HA SER 86 HA SER 86 16.852 -1.329 -6.872 639 HB2 SER 86 1HB SER 86 16.820 0.810 -5.420 640 HB3 SER 86 2HB SER 86 17.251 1.656 -6.906 641 HG SER 86 HG SER 86 14.859 0.555 -6.141 642 H GLY 87 H GLY 87 19.090 1.181 -8.078 643 HA2 GLY 87 1HA GLY 87 20.012 0.333 -10.368 644 HA3 GLY 87 2HA GLY 87 18.320 0.471 -10.819 645 HA PRO 88 HA PRO 88 20.755 4.646 -10.836 646 HB2 PRO 88 2HB PRO 88 22.769 4.041 -11.762 647 HB3 PRO 88 1HB PRO 88 21.990 4.584 -13.253 648 HG2 PRO 88 1HG PRO 88 21.446 2.423 -13.906 649 HG3 PRO 88 2HG PRO 88 22.967 2.114 -13.048 650 HD2 PRO 88 1HD PRO 88 20.653 0.862 -12.408 651 HD3 PRO 88 2HD PRO 88 21.895 1.249 -11.200 652 H SER 89 H SER 89 19.144 2.811 -13.372 653 HA SER 89 HA SER 89 17.302 4.978 -13.831 654 HB2 SER 89 1HB SER 89 19.290 5.506 -15.302 655 HB3 SER 89 2HB SER 89 18.943 4.018 -16.182 656 HG SER 89 HG SER 89 16.777 5.684 -15.831 657 H SER 90 H SER 90 15.389 4.030 -13.924 658 HA SER 90 HA SER 90 15.194 1.366 -15.172 659 HB2 SER 90 1HB SER 90 13.620 2.506 -12.852 660 HB3 SER 90 2HB SER 90 13.250 0.975 -13.645 661 HG SER 90 HG SER 90 15.293 1.623 -11.895 662 H GLY 91 H GLY 91 13.964 1.242 -16.928 663 HA2 GLY 91 1HA GLY 91 11.481 2.012 -17.470 664 HA3 GLY 91 2HA GLY 91 12.327 3.539 -17.668 Start of MODEL 18 1 H1 GLY 1 H GLY 1 17.873 11.190 11.095 2 HA2 GLY 1 1HA GLY 1 19.457 12.605 9.152 3 HA3 GLY 1 2HA GLY 1 19.824 12.415 10.860 4 H SER 2 H SER 2 19.698 10.511 7.853 5 HA SER 2 HA SER 2 22.258 9.297 8.621 6 HB2 SER 2 1HB SER 2 20.091 7.844 9.019 7 HB3 SER 2 2HB SER 2 20.204 7.584 7.278 8 HG SER 2 HG SER 2 21.413 5.992 8.152 9 H SER 3 H SER 3 23.673 9.774 7.089 10 HA SER 3 HA SER 3 23.387 10.992 4.733 11 HB2 SER 3 1HB SER 3 25.440 9.880 3.935 12 HB3 SER 3 2HB SER 3 25.577 10.350 5.629 13 HG SER 3 HG SER 3 26.295 8.168 5.103 14 H GLY 4 H GLY 4 21.816 10.643 3.284 15 HA2 GLY 4 1HA GLY 4 20.681 9.628 1.562 16 HA3 GLY 4 2HA GLY 4 21.930 8.392 1.563 17 H SER 5 H SER 5 20.395 6.758 1.193 18 HA SER 5 HA SER 5 18.942 5.970 3.616 19 HB2 SER 5 1HB SER 5 17.403 7.073 1.910 20 HB3 SER 5 2HB SER 5 17.721 5.687 0.868 21 HG SER 5 HG SER 5 15.833 5.410 2.143 22 H SER 6 H SER 6 18.388 3.675 3.665 23 HA SER 6 HA SER 6 20.236 2.061 2.030 24 HB2 SER 6 1HB SER 6 19.644 2.014 4.956 25 HB3 SER 6 2HB SER 6 20.007 0.485 4.155 26 HG SER 6 HG SER 6 21.818 2.112 3.282 27 H GLY 7 H GLY 7 19.564 -0.099 1.526 28 HA2 GLY 7 1HA GLY 7 18.023 -1.566 0.657 29 HA3 GLY 7 2HA GLY 7 17.171 -1.311 2.173 30 H MET 8 H MET 8 15.301 -0.173 2.183 31 HA MET 8 HA MET 8 14.569 1.656 0.126 32 HB2 MET 8 1HB MET 8 14.189 -0.299 -1.204 33 HB3 MET 8 2HB MET 8 13.331 -1.096 0.108 34 HG2 MET 8 1HG MET 8 11.749 1.005 -0.130 35 HG3 MET 8 2HG MET 8 12.411 1.011 -1.763 36 HE1 MET 8 3HE MET 8 9.539 -1.050 0.461 37 HE2 MET 8 1HE MET 8 9.687 0.603 -0.137 38 HE3 MET 8 2HE MET 8 8.724 -0.574 -1.030 39 H GLU 9 H GLU 9 13.400 3.127 1.154 40 HA GLU 9 HA GLU 9 12.499 3.057 3.716 41 HB2 GLU 9 1HB GLU 9 12.467 4.950 1.859 42 HB3 GLU 9 2HB GLU 9 10.776 4.483 1.741 43 HG2 GLU 9 1HG GLU 9 11.098 6.368 3.252 44 HG3 GLU 9 2HG GLU 9 10.447 4.961 4.090 45 HA PRO 10 HA PRO 10 9.156 0.178 3.818 46 HB2 PRO 10 2HB PRO 10 9.589 0.003 6.068 47 HB3 PRO 10 1HB PRO 10 8.089 0.929 6.199 48 HG2 PRO 10 1HG PRO 10 9.208 2.940 6.503 49 HG3 PRO 10 2HG PRO 10 10.346 1.831 7.289 50 HD2 PRO 10 1HD PRO 10 11.081 3.488 5.278 51 HD3 PRO 10 2HD PRO 10 11.824 1.895 5.522 52 H VAL 11 H VAL 11 6.974 0.102 3.388 53 HA VAL 11 HA VAL 11 5.775 2.438 2.296 54 HB VAL 11 HB VAL 11 4.477 -0.217 2.924 55 HG11 VAL 11 1HG1 VAL 11 2.759 1.352 2.560 56 HG12 VAL 11 2HG1 VAL 11 3.638 2.129 1.241 57 HG13 VAL 11 3HG1 VAL 11 2.961 0.515 1.021 58 HG21 VAL 11 3HG2 VAL 11 6.519 0.382 1.084 59 HG22 VAL 11 1HG2 VAL 11 5.570 -1.099 1.203 60 HG23 VAL 11 2HG2 VAL 11 5.036 0.208 0.146 61 H GLU 12 H GLU 12 5.242 0.567 5.255 62 HA GLU 12 HA GLU 12 2.958 1.764 6.218 63 HB2 GLU 12 1HB GLU 12 3.627 1.062 8.408 64 HB3 GLU 12 2HB GLU 12 4.183 -0.152 7.264 65 HG2 GLU 12 1HG GLU 12 6.422 1.022 7.313 66 HG3 GLU 12 2HG GLU 12 5.806 1.926 8.695 67 H THR 13 H THR 13 6.035 3.171 5.750 68 HA THR 13 HA THR 13 5.446 5.409 7.545 69 HB THR 13 HB THR 13 7.738 6.150 7.129 70 HG1 THR 13 1HG THR 13 8.468 5.534 5.225 71 HG21 THR 13 3HG2 THR 13 7.469 4.611 8.946 72 HG22 THR 13 1HG2 THR 13 8.938 4.167 8.078 73 HG23 THR 13 2HG2 THR 13 7.460 3.232 7.847 74 H TRP 14 H TRP 14 5.682 4.571 4.174 75 HA TRP 14 HA TRP 14 6.054 6.894 2.849 76 HB2 TRP 14 1HB TRP 14 4.024 4.727 2.316 77 HB3 TRP 14 2HB TRP 14 4.291 6.064 1.200 78 HD1 TRP 14 HD TRP 14 7.549 5.228 2.627 79 HE1 TRP 14 1HE TRP 14 8.899 3.717 1.040 80 HE3 TRP 14 3HE TRP 14 3.797 3.834 -0.554 81 HZ2 TRP 14 2HZ TRP 14 8.435 2.142 -1.256 82 HZ3 TRP 14 3HZ TRP 14 4.334 2.323 -2.420 83 HH2 TRP 14 HH TRP 14 6.605 1.496 -2.762 84 H THR 15 H THR 15 4.506 8.423 1.851 85 HA THR 15 HA THR 15 2.677 9.424 3.889 86 HB THR 15 HB THR 15 2.494 11.367 2.158 87 HG1 THR 15 1HG THR 15 3.651 11.038 0.425 88 HG21 THR 15 3HG2 THR 15 4.576 10.686 4.113 89 HG22 THR 15 1HG2 THR 15 3.601 12.146 3.959 90 HG23 THR 15 2HG2 THR 15 5.038 11.935 2.958 91 HA PRO 16 HA PRO 16 -1.054 8.265 1.889 92 HB2 PRO 16 2HB PRO 16 -2.171 9.242 3.643 93 HB3 PRO 16 1HB PRO 16 -2.644 10.405 2.399 94 HG2 PRO 16 1HG PRO 16 -1.025 11.941 3.040 95 HG3 PRO 16 2HG PRO 16 -1.396 11.209 4.611 96 HD2 PRO 16 1HD PRO 16 1.114 11.293 3.599 97 HD3 PRO 16 2HD PRO 16 0.544 9.965 4.631 98 H GLY 17 H GLY 17 0.928 10.572 0.635 99 HA2 GLY 17 1HA GLY 17 -0.935 11.327 -1.517 100 HA3 GLY 17 2HA GLY 17 0.564 12.159 -1.133 101 H LYS 18 H LYS 18 1.775 9.339 -0.845 102 HA LYS 18 HA LYS 18 2.537 9.133 -3.653 103 HB2 LYS 18 1HB LYS 18 3.679 7.693 -1.253 104 HB3 LYS 18 2HB LYS 18 4.371 7.743 -2.869 105 HG2 LYS 18 1HG LYS 18 5.109 9.903 -2.637 106 HG3 LYS 18 2HG LYS 18 3.898 10.300 -1.416 107 HD2 LYS 18 1HD LYS 18 5.882 10.183 -0.198 108 HD3 LYS 18 2HD LYS 18 5.146 8.600 0.064 109 HE2 LYS 18 1HE LYS 18 7.313 8.012 -0.438 110 HE3 LYS 18 2HE LYS 18 6.555 7.921 -2.027 111 HZ1 LYS 18 3HZ LYS 18 7.893 10.387 -1.098 112 HZ2 LYS 18 1HZ LYS 18 7.517 9.923 -2.681 113 HZ3 LYS 18 2HZ LYS 18 8.761 9.141 -1.843 114 H VAL 19 H VAL 19 0.983 7.262 -1.118 115 HA VAL 19 HA VAL 19 0.930 4.729 -2.112 116 HB VAL 19 HB VAL 19 -1.309 6.261 -0.795 117 HG11 VAL 19 1HG1 VAL 19 -2.287 4.449 -2.085 118 HG12 VAL 19 2HG1 VAL 19 -1.152 3.303 -1.368 119 HG13 VAL 19 3HG1 VAL 19 -2.368 4.090 -0.361 120 HG21 VAL 19 3HG2 VAL 19 -0.566 5.367 1.211 121 HG22 VAL 19 1HG2 VAL 19 0.299 4.050 0.419 122 HG23 VAL 19 2HG2 VAL 19 0.944 5.690 0.359 123 H ALA 20 H ALA 20 -0.906 7.493 -3.269 124 HA ALA 20 HA ALA 20 -2.733 6.198 -4.926 125 HB1 ALA 20 3HB ALA 20 -3.306 8.263 -5.604 126 HB2 ALA 20 1HB ALA 20 -2.221 8.785 -4.315 127 HB3 ALA 20 2HB ALA 20 -1.644 8.715 -5.980 128 H THR 21 H THR 21 0.627 7.098 -5.494 129 HA THR 21 HA THR 21 0.655 6.485 -8.264 130 HB THR 21 HB THR 21 2.985 6.508 -6.335 131 HG1 THR 21 1HG THR 21 2.920 8.626 -6.494 132 HG21 THR 21 3HG2 THR 21 3.606 5.419 -8.381 133 HG22 THR 21 1HG2 THR 21 4.282 7.047 -8.406 134 HG23 THR 21 2HG2 THR 21 2.835 6.678 -9.345 135 H TRP 22 H TRP 22 1.414 4.631 -5.355 136 HA TRP 22 HA TRP 22 2.363 2.335 -6.757 137 HB2 TRP 22 1HB TRP 22 3.000 2.832 -4.421 138 HB3 TRP 22 2HB TRP 22 1.333 2.558 -3.920 139 HD1 TRP 22 HD TRP 22 4.447 0.674 -5.118 140 HE1 TRP 22 1HE TRP 22 4.161 -1.821 -4.555 141 HE3 TRP 22 3HE TRP 22 -0.407 0.754 -3.514 142 HZ2 TRP 22 2HZ TRP 22 2.145 -3.530 -3.563 143 HZ3 TRP 22 3HZ TRP 22 -1.440 -1.354 -2.775 144 HH2 TRP 22 HH TRP 22 -0.189 -3.450 -2.800 145 H LEU 23 H LEU 23 -0.761 3.460 -5.713 146 HA LEU 23 HA LEU 23 -2.069 0.919 -6.050 147 HB2 LEU 23 1HB LEU 23 -2.888 3.685 -5.358 148 HB3 LEU 23 2HB LEU 23 -4.118 2.618 -6.033 149 HG LEU 23 HG LEU 23 -2.489 1.974 -3.579 150 HD11 LEU 23 1HD1 LEU 23 -4.330 3.966 -3.712 151 HD12 LEU 23 2HD1 LEU 23 -3.967 3.026 -2.265 152 HD13 LEU 23 3HD1 LEU 23 -5.339 2.585 -3.281 153 HD21 LEU 23 3HD2 LEU 23 -3.337 -0.060 -3.851 154 HD22 LEU 23 1HD2 LEU 23 -4.279 0.469 -5.246 155 HD23 LEU 23 2HD2 LEU 23 -4.946 0.628 -3.620 156 H ARG 24 H ARG 24 -2.011 3.994 -7.840 157 HA ARG 24 HA ARG 24 -3.687 3.187 -9.941 158 HB2 ARG 24 1HB ARG 24 -2.888 5.111 -11.129 159 HB3 ARG 24 2HB ARG 24 -3.017 5.540 -9.428 160 HG2 ARG 24 1HG ARG 24 -0.990 6.455 -9.941 161 HG3 ARG 24 2HG ARG 24 -0.488 4.857 -9.384 162 HD2 ARG 24 1HD ARG 24 -0.157 4.080 -11.580 163 HD3 ARG 24 2HD ARG 24 -1.047 5.434 -12.278 164 HE ARG 24 HE ARG 24 1.044 6.624 -11.027 165 HH11 ARG 24 2HH1 ARG 24 0.773 4.052 -13.358 166 HH12 ARG 24 1HH1 ARG 24 2.301 4.389 -14.101 167 HH21 ARG 24 1HH2 ARG 24 3.600 6.110 -13.326 168 HH22 ARG 24 2HH2 ARG 24 3.058 7.078 -11.998 169 H GLY 25 H GLY 25 -0.385 2.468 -9.245 170 HA2 GLY 25 1HA GLY 25 0.271 1.692 -11.958 171 HA3 GLY 25 2HA GLY 25 1.299 1.519 -10.543 172 H LEU 26 H LEU 26 -0.590 0.088 -8.937 173 HA LEU 26 HA LEU 26 0.039 -2.491 -9.284 174 HB2 LEU 26 1HB LEU 26 -2.391 -1.166 -8.223 175 HB3 LEU 26 2HB LEU 26 -2.468 -2.908 -8.481 176 HG LEU 26 HG LEU 26 -0.257 -1.685 -6.864 177 HD11 LEU 26 1HD1 LEU 26 -2.053 -2.650 -5.028 178 HD12 LEU 26 2HD1 LEU 26 -3.087 -1.813 -6.184 179 HD13 LEU 26 3HD1 LEU 26 -1.767 -0.949 -5.396 180 HD21 LEU 26 3HD2 LEU 26 0.324 -3.855 -7.042 181 HD22 LEU 26 1HD2 LEU 26 -1.315 -4.372 -7.442 182 HD23 LEU 26 2HD2 LEU 26 -0.870 -4.072 -5.761 183 H ASP 27 H ASP 27 -2.932 -1.091 -10.679 184 HA ASP 27 HA ASP 27 -2.605 -2.635 -13.088 185 HB2 ASP 27 1HB ASP 27 -3.727 -4.147 -11.305 186 HB3 ASP 27 2HB ASP 27 -5.149 -3.141 -11.570 187 H ASP 28 H ASP 28 -4.425 -2.214 -14.637 188 HA ASP 28 HA ASP 28 -5.052 0.604 -14.575 189 HB2 ASP 28 1HB ASP 28 -5.885 -1.417 -16.660 190 HB3 ASP 28 2HB ASP 28 -5.771 0.331 -16.844 191 H SER 29 H SER 29 -6.655 -2.374 -13.895 192 HA SER 29 HA SER 29 -9.329 -1.418 -14.226 193 HB2 SER 29 1HB SER 29 -8.504 -3.864 -14.217 194 HB3 SER 29 2HB SER 29 -8.543 -3.729 -12.459 195 HG SER 29 HG SER 29 -10.507 -4.546 -13.474 196 H LEU 30 H LEU 30 -6.958 -0.819 -11.935 197 HA LEU 30 HA LEU 30 -8.950 -0.155 -9.871 198 HB2 LEU 30 1HB LEU 30 -5.973 -0.465 -9.527 199 HB3 LEU 30 2HB LEU 30 -7.173 -0.253 -8.253 200 HG LEU 30 HG LEU 30 -7.136 -2.660 -10.059 201 HD11 LEU 30 1HD1 LEU 30 -5.538 -3.663 -8.862 202 HD12 LEU 30 2HD1 LEU 30 -6.137 -3.011 -7.338 203 HD13 LEU 30 3HD1 LEU 30 -5.086 -2.033 -8.362 204 HD21 LEU 30 3HD2 LEU 30 -8.192 -3.463 -7.731 205 HD22 LEU 30 1HD2 LEU 30 -9.154 -2.789 -9.047 206 HD23 LEU 30 2HD2 LEU 30 -8.668 -1.764 -7.696 207 H GLN 31 H GLN 31 -6.270 1.063 -11.780 208 HA GLN 31 HA GLN 31 -5.727 3.478 -10.623 209 HB2 GLN 31 1HB GLN 31 -4.757 4.095 -12.612 210 HB3 GLN 31 2HB GLN 31 -4.880 2.358 -12.853 211 HG2 GLN 31 1HG GLN 31 -6.848 2.627 -14.199 212 HG3 GLN 31 2HG GLN 31 -6.893 4.356 -13.854 213 HE21 GLN 31 2HE2 GLN 31 -5.350 3.650 -17.195 214 HE22 GLN 31 1HE2 GLN 31 -6.810 3.137 -16.427 215 H ASP 32 H ASP 32 -8.652 2.497 -12.162 216 HA ASP 32 HA ASP 32 -9.717 5.015 -12.834 217 HB2 ASP 32 1HB ASP 32 -10.618 2.807 -13.595 218 HB3 ASP 32 2HB ASP 32 -11.260 2.561 -11.974 219 H TYR 33 H TYR 33 -9.834 3.118 -9.856 220 HA TYR 33 HA TYR 33 -11.666 4.694 -8.445 221 HB2 TYR 33 1HB TYR 33 -9.400 2.924 -7.541 222 HB3 TYR 33 2HB TYR 33 -10.446 3.757 -6.397 223 HD1 TYR 33 2HD TYR 33 -12.784 3.110 -6.149 224 HD2 TYR 33 1HD TYR 33 -10.220 1.064 -8.858 225 HE1 TYR 33 2HE TYR 33 -14.420 1.279 -6.305 226 HE2 TYR 33 1HE TYR 33 -11.849 -0.772 -9.023 227 HH TYR 33 HH TYR 33 -14.974 -0.609 -7.362 228 HA PRO 34 HA PRO 34 -9.412 8.423 -7.743 229 HB2 PRO 34 2HB PRO 34 -11.460 9.403 -7.391 230 HB3 PRO 34 1HB PRO 34 -10.922 9.397 -5.708 231 HG2 PRO 34 1HG PRO 34 -12.144 7.492 -5.191 232 HG3 PRO 34 2HG PRO 34 -13.205 8.218 -6.412 233 HD2 PRO 34 1HD PRO 34 -12.255 5.691 -6.624 234 HD3 PRO 34 2HD PRO 34 -12.569 6.715 -8.040 235 H PHE 35 H PHE 35 -7.562 7.107 -6.945 236 HA PHE 35 HA PHE 35 -7.305 6.446 -4.201 237 HB2 PHE 35 1HB PHE 35 -5.230 6.864 -6.359 238 HB3 PHE 35 2HB PHE 35 -4.857 6.270 -4.744 239 HD1 PHE 35 2HD PHE 35 -6.649 4.288 -4.055 240 HD2 PHE 35 1HD PHE 35 -5.251 5.239 -7.961 241 HE1 PHE 35 2HE PHE 35 -7.141 1.991 -4.787 242 HE2 PHE 35 1HE PHE 35 -5.742 2.944 -8.700 243 HZ PHE 35 HZ PHE 35 -6.687 1.316 -7.112 244 H GLU 36 H GLU 36 -6.152 9.198 -6.127 245 HA GLU 36 HA GLU 36 -4.681 10.551 -4.243 246 HB2 GLU 36 1HB GLU 36 -5.341 11.109 -6.750 247 HB3 GLU 36 2HB GLU 36 -6.526 12.143 -5.963 248 HG2 GLU 36 1HG GLU 36 -4.498 13.020 -4.615 249 HG3 GLU 36 2HG GLU 36 -3.547 12.314 -5.920 250 H ASP 37 H ASP 37 -8.110 10.104 -4.377 251 HA ASP 37 HA ASP 37 -8.690 12.210 -2.480 252 HB2 ASP 37 1HB ASP 37 -10.418 10.043 -3.688 253 HB3 ASP 37 2HB ASP 37 -11.013 11.275 -2.579 254 H TRP 38 H TRP 38 -8.288 8.723 -2.480 255 HA TRP 38 HA TRP 38 -9.354 8.005 -0.056 256 HB2 TRP 38 1HB TRP 38 -6.836 7.029 -1.409 257 HB3 TRP 38 2HB TRP 38 -7.519 6.263 0.022 258 HD1 TRP 38 HD TRP 38 -10.000 7.517 -2.539 259 HE1 TRP 38 1HE TRP 38 -11.063 5.508 -3.747 260 HE3 TRP 38 3HE TRP 38 -6.958 3.806 -0.774 261 HZ2 TRP 38 2HZ TRP 38 -10.665 2.719 -3.928 262 HZ3 TRP 38 3HZ TRP 38 -7.367 1.495 -1.513 263 HH2 TRP 38 HH TRP 38 -9.183 0.965 -3.057 264 H GLN 39 H GLN 39 -6.336 9.685 -0.686 265 HA GLN 39 HA GLN 39 -4.718 10.516 0.707 266 HB2 GLN 39 1HB GLN 39 -7.309 11.232 2.060 267 HB3 GLN 39 2HB GLN 39 -5.760 11.779 2.690 268 HG2 GLN 39 1HG GLN 39 -6.450 12.270 -0.169 269 HG3 GLN 39 2HG GLN 39 -7.134 13.295 1.091 270 HE21 GLN 39 2HE2 GLN 39 -3.309 13.719 -0.094 271 HE22 GLN 39 1HE2 GLN 39 -4.370 12.532 -0.764 272 H LEU 40 H LEU 40 -5.229 7.724 1.101 273 HA LEU 40 HA LEU 40 -5.158 7.285 3.969 274 HB2 LEU 40 1HB LEU 40 -6.380 5.717 2.590 275 HB3 LEU 40 2HB LEU 40 -4.934 5.389 1.636 276 HG LEU 40 HG LEU 40 -3.977 4.612 3.964 277 HD11 LEU 40 1HD1 LEU 40 -6.959 4.360 4.309 278 HD12 LEU 40 2HD1 LEU 40 -5.831 5.243 5.337 279 HD13 LEU 40 3HD1 LEU 40 -5.770 3.482 5.271 280 HD21 LEU 40 3HD2 LEU 40 -3.943 2.954 2.416 281 HD22 LEU 40 1HD2 LEU 40 -5.615 3.224 1.926 282 HD23 LEU 40 2HD2 LEU 40 -5.264 2.343 3.413 283 HA PRO 41 HA PRO 41 -0.725 7.681 4.063 284 HB2 PRO 41 2HB PRO 41 -1.011 8.618 6.141 285 HB3 PRO 41 1HB PRO 41 -0.441 7.035 6.685 286 HG2 PRO 41 1HG PRO 41 -2.589 6.272 7.126 287 HG3 PRO 41 2HG PRO 41 -2.788 7.993 7.505 288 HD2 PRO 41 1HD PRO 41 -4.351 6.707 5.707 289 HD3 PRO 41 2HD PRO 41 -3.923 8.422 5.545 290 H GLY 42 H GLY 42 1.078 6.312 4.204 291 HA2 GLY 42 1HA GLY 42 0.763 3.681 3.389 292 HA3 GLY 42 2HA GLY 42 2.231 4.329 4.104 293 H LYS 43 H LYS 43 1.373 4.900 6.668 294 HA LYS 43 HA LYS 43 1.768 2.583 8.050 295 HB2 LYS 43 1HB LYS 43 0.802 3.691 10.003 296 HB3 LYS 43 2HB LYS 43 1.805 4.807 9.086 297 HG2 LYS 43 1HG LYS 43 -0.428 5.500 7.967 298 HG3 LYS 43 2HG LYS 43 -1.165 4.740 9.379 299 HD2 LYS 43 1HD LYS 43 1.054 6.694 9.776 300 HD3 LYS 43 2HD LYS 43 -0.559 7.296 9.388 301 HE2 LYS 43 1HE LYS 43 -0.208 5.278 11.563 302 HE3 LYS 43 2HE LYS 43 0.161 6.973 11.877 303 HZ1 LYS 43 3HZ LYS 43 -2.315 5.777 11.965 304 HZ2 LYS 43 1HZ LYS 43 -2.335 6.703 10.550 305 HZ3 LYS 43 2HZ LYS 43 -1.988 7.435 12.034 306 H ASN 44 H ASN 44 -1.377 3.970 7.146 307 HA ASN 44 HA ASN 44 -2.823 1.727 8.236 308 HB2 ASN 44 1HB ASN 44 -3.613 4.192 6.699 309 HB3 ASN 44 2HB ASN 44 -4.771 2.900 7.006 310 HD21 ASN 44 2HD2 ASN 44 -5.241 3.663 10.369 311 HD22 ASN 44 1HD2 ASN 44 -5.487 2.528 9.090 312 H LEU 45 H LEU 45 -1.623 2.742 5.118 313 HA LEU 45 HA LEU 45 -3.108 1.256 3.357 314 HB2 LEU 45 1HB LEU 45 -1.391 2.759 2.605 315 HB3 LEU 45 2HB LEU 45 -0.140 1.771 3.357 316 HG LEU 45 HG LEU 45 -0.851 -0.063 1.726 317 HD11 LEU 45 1HD1 LEU 45 -1.716 1.229 -0.436 318 HD12 LEU 45 2HD1 LEU 45 -2.494 2.218 0.800 319 HD13 LEU 45 3HD1 LEU 45 -2.811 0.485 0.730 320 HD21 LEU 45 3HD2 LEU 45 0.942 0.525 0.534 321 HD22 LEU 45 1HD2 LEU 45 1.026 1.940 1.583 322 HD23 LEU 45 2HD2 LEU 45 0.211 2.047 0.022 323 H LEU 46 H LEU 46 -0.325 0.156 5.266 324 HA LEU 46 HA LEU 46 -0.477 -2.528 4.268 325 HB2 LEU 46 1HB LEU 46 1.096 -1.145 6.401 326 HB3 LEU 46 2HB LEU 46 1.083 -2.905 6.314 327 HG LEU 46 HG LEU 46 3.025 -2.277 5.183 328 HD11 LEU 46 1HD1 LEU 46 2.729 -3.345 3.219 329 HD12 LEU 46 2HD1 LEU 46 1.365 -2.334 2.746 330 HD13 LEU 46 3HD1 LEU 46 1.127 -3.659 3.884 331 HD21 LEU 46 3HD2 LEU 46 2.453 -0.544 3.139 332 HD22 LEU 46 1HD2 LEU 46 3.190 -0.105 4.680 333 HD23 LEU 46 2HD2 LEU 46 1.449 0.070 4.454 334 H GLN 47 H GLN 47 -1.936 -0.758 6.844 335 HA GLN 47 HA GLN 47 -2.791 -3.196 8.208 336 HB2 GLN 47 1HB GLN 47 -3.073 -0.274 8.911 337 HB3 GLN 47 2HB GLN 47 -3.791 -1.572 9.856 338 HG2 GLN 47 1HG GLN 47 -0.846 -1.322 9.294 339 HG3 GLN 47 2HG GLN 47 -1.638 -0.712 10.746 340 HE21 GLN 47 2HE2 GLN 47 -0.511 -4.528 10.503 341 HE22 GLN 47 1HE2 GLN 47 -0.088 -3.314 9.349 342 H LEU 48 H LEU 48 -3.769 -1.784 5.550 343 HA LEU 48 HA LEU 48 -6.447 -1.083 5.861 344 HB2 LEU 48 1HB LEU 48 -4.761 -2.044 3.620 345 HB3 LEU 48 2HB LEU 48 -6.509 -2.115 3.404 346 HG LEU 48 HG LEU 48 -4.993 0.396 4.106 347 HD11 LEU 48 1HD1 LEU 48 -4.838 -0.923 1.713 348 HD12 LEU 48 2HD1 LEU 48 -4.600 0.809 1.946 349 HD13 LEU 48 3HD1 LEU 48 -6.176 0.195 1.446 350 HD21 LEU 48 3HD2 LEU 48 -7.605 -0.094 4.496 351 HD22 LEU 48 1HD2 LEU 48 -7.647 0.446 2.818 352 HD23 LEU 48 2HD2 LEU 48 -6.967 1.493 4.064 353 H CYS 49 H CYS 49 -8.370 -2.291 5.211 354 HA CYS 49 HA CYS 49 -8.182 -5.194 5.430 355 HB2 CYS 49 1HB CYS 49 -9.441 -3.393 7.436 356 HB3 CYS 49 2HB CYS 49 -10.299 -4.876 7.037 357 HG CYS 49 HG CYS 49 -8.672 -6.576 8.194 358 HA PRO 50 HA PRO 50 -11.447 -5.251 2.504 359 HB2 PRO 50 2HB PRO 50 -11.336 -7.546 2.557 360 HB3 PRO 50 1HB PRO 50 -12.930 -7.381 3.302 361 HG2 PRO 50 1HG PRO 50 -12.093 -7.647 5.451 362 HG3 PRO 50 2HG PRO 50 -10.970 -8.683 4.552 363 HD2 PRO 50 1HD PRO 50 -10.130 -6.646 6.126 364 HD3 PRO 50 2HD PRO 50 -9.263 -7.139 4.658 365 H GLN 51 H GLN 51 -12.140 -4.752 5.814 366 HA GLN 51 HA GLN 51 -14.979 -4.290 5.388 367 HB2 GLN 51 1HB GLN 51 -14.079 -5.365 7.476 368 HB3 GLN 51 2HB GLN 51 -13.363 -3.814 7.895 369 HG2 GLN 51 1HG GLN 51 -15.304 -3.706 9.080 370 HG3 GLN 51 2HG GLN 51 -15.813 -2.947 7.572 371 HE21 GLN 51 2HE2 GLN 51 -18.311 -5.484 8.654 372 HE22 GLN 51 1HE2 GLN 51 -17.573 -4.112 9.401 373 H SER 52 H SER 52 -12.013 -2.488 5.824 374 HA SER 52 HA SER 52 -13.400 0.048 6.049 375 HB2 SER 52 1HB SER 52 -10.442 -0.559 5.813 376 HB3 SER 52 2HB SER 52 -11.139 1.021 6.172 377 HG SER 52 HG SER 52 -12.111 -0.031 8.044 378 H LEU 53 H LEU 53 -11.653 -1.802 3.637 379 HA LEU 53 HA LEU 53 -11.245 0.165 1.709 380 HB2 LEU 53 1HB LEU 53 -11.522 -2.787 1.685 381 HB3 LEU 53 2HB LEU 53 -11.656 -1.949 0.141 382 HG LEU 53 HG LEU 53 -9.306 -1.362 1.874 383 HD11 LEU 53 1HD1 LEU 53 -8.155 -3.285 0.641 384 HD12 LEU 53 2HD1 LEU 53 -9.780 -3.919 0.381 385 HD13 LEU 53 3HD1 LEU 53 -9.176 -3.688 2.022 386 HD21 LEU 53 3HD2 LEU 53 -9.938 -1.414 -1.057 387 HD22 LEU 53 1HD2 LEU 53 -8.273 -1.390 -0.477 388 HD23 LEU 53 2HD2 LEU 53 -9.368 -0.070 -0.067 389 H GLU 54 H GLU 54 -14.155 -1.290 2.787 390 HA GLU 54 HA GLU 54 -15.706 -0.885 0.430 391 HB2 GLU 54 1HB GLU 54 -16.556 -1.219 3.312 392 HB3 GLU 54 2HB GLU 54 -17.649 -1.240 1.934 393 HG2 GLU 54 1HG GLU 54 -16.831 -3.273 1.157 394 HG3 GLU 54 2HG GLU 54 -15.348 -3.144 2.101 395 H ALA 55 H ALA 55 -14.500 1.204 2.815 396 HA ALA 55 HA ALA 55 -16.595 3.177 2.641 397 HB1 ALA 55 3HB ALA 55 -15.379 3.009 4.703 398 HB2 ALA 55 1HB ALA 55 -13.846 3.274 3.873 399 HB3 ALA 55 2HB ALA 55 -15.032 4.576 3.972 400 H LEU 56 H LEU 56 -13.654 2.448 0.968 401 HA LEU 56 HA LEU 56 -13.525 5.076 -0.280 402 HB2 LEU 56 1HB LEU 56 -11.819 2.654 -0.821 403 HB3 LEU 56 2HB LEU 56 -11.487 4.317 -1.297 404 HG LEU 56 HG LEU 56 -10.067 3.634 0.556 405 HD11 LEU 56 1HD1 LEU 56 -11.310 5.976 0.325 406 HD12 LEU 56 2HD1 LEU 56 -10.209 5.612 1.654 407 HD13 LEU 56 3HD1 LEU 56 -11.952 5.485 1.893 408 HD21 LEU 56 3HD2 LEU 56 -11.893 2.028 1.439 409 HD22 LEU 56 1HD2 LEU 56 -12.471 3.438 2.327 410 HD23 LEU 56 2HD2 LEU 56 -10.834 2.839 2.594 411 H ALA 57 H ALA 57 -15.723 3.032 -0.714 412 HA ALA 57 HA ALA 57 -17.130 2.551 -2.448 413 HB1 ALA 57 3HB ALA 57 -17.133 3.993 -4.150 414 HB2 ALA 57 1HB ALA 57 -15.730 4.732 -3.378 415 HB3 ALA 57 2HB ALA 57 -15.506 3.533 -4.653 416 H VAL 58 H VAL 58 -14.780 0.902 -1.609 417 HA VAL 58 HA VAL 58 -14.528 -0.735 -4.049 418 HB VAL 58 HB VAL 58 -12.589 -0.598 -1.736 419 HG11 VAL 58 1HG1 VAL 58 -13.011 -2.602 -3.662 420 HG12 VAL 58 2HG1 VAL 58 -11.539 -1.752 -4.138 421 HG13 VAL 58 3HG1 VAL 58 -11.669 -2.458 -2.526 422 HG21 VAL 58 3HG2 VAL 58 -12.058 0.344 -4.534 423 HG22 VAL 58 1HG2 VAL 58 -12.758 1.413 -3.319 424 HG23 VAL 58 2HG2 VAL 58 -11.166 0.703 -3.056 425 H ARG 59 H ARG 59 -16.609 -1.661 -3.344 426 HA ARG 59 HA ARG 59 -16.556 -3.320 -0.964 427 HB2 ARG 59 1HB ARG 59 -18.674 -2.849 -3.065 428 HB3 ARG 59 2HB ARG 59 -18.883 -3.925 -1.691 429 HG2 ARG 59 1HG ARG 59 -19.045 -2.212 -0.192 430 HG3 ARG 59 2HG ARG 59 -18.060 -1.120 -1.167 431 HD2 ARG 59 1HD ARG 59 -20.230 -0.252 -1.318 432 HD3 ARG 59 2HD ARG 59 -19.998 -1.133 -2.827 433 HE ARG 59 HE ARG 59 -21.680 -2.549 -2.208 434 HH11 ARG 59 2HH1 ARG 59 -20.558 -0.834 0.606 435 HH12 ARG 59 1HH1 ARG 59 -21.806 -1.449 1.639 436 HH21 ARG 59 1HH2 ARG 59 -23.380 -2.889 0.805 437 HH22 ARG 59 2HH2 ARG 59 -23.328 -3.365 -0.858 438 H SER 60 H SER 60 -16.880 -3.786 -4.475 439 HA SER 60 HA SER 60 -17.136 -6.492 -4.651 440 HB2 SER 60 1HB SER 60 -15.380 -4.744 -6.393 441 HB3 SER 60 2HB SER 60 -15.952 -6.357 -6.819 442 HG SER 60 HG SER 60 -17.871 -4.496 -6.050 443 H LEU 61 H LEU 61 -16.003 -8.194 -4.005 444 HA LEU 61 HA LEU 61 -13.591 -7.974 -2.580 445 HB2 LEU 61 1HB LEU 61 -15.451 -9.852 -2.704 446 HB3 LEU 61 2HB LEU 61 -14.329 -10.550 -3.870 447 HG LEU 61 HG LEU 61 -12.619 -10.118 -1.865 448 HD11 LEU 61 1HD1 LEU 61 -15.318 -10.415 -0.572 449 HD12 LEU 61 2HD1 LEU 61 -14.114 -9.156 -0.302 450 HD13 LEU 61 3HD1 LEU 61 -13.805 -10.803 0.247 451 HD21 LEU 61 3HD2 LEU 61 -12.641 -12.401 -1.531 452 HD22 LEU 61 1HD2 LEU 61 -13.420 -12.260 -3.107 453 HD23 LEU 61 2HD2 LEU 61 -14.397 -12.512 -1.660 454 H GLY 62 H GLY 62 -14.214 -9.300 -5.833 455 HA2 GLY 62 1HA GLY 62 -11.789 -10.103 -6.666 456 HA3 GLY 62 2HA GLY 62 -12.861 -9.187 -7.715 457 H HIS 63 H HIS 63 -12.772 -6.706 -6.424 458 HA HIS 63 HA HIS 63 -10.348 -5.668 -7.486 459 HB2 HIS 63 1HB HIS 63 -12.712 -4.536 -6.061 460 HB3 HIS 63 2HB HIS 63 -11.246 -3.563 -6.140 461 HD1 HIS 63 1HD HIS 63 -14.047 -3.019 -7.623 462 HD2 HIS 63 2HD HIS 63 -10.554 -4.493 -9.323 463 HE1 HIS 63 1HE HIS 63 -14.211 -2.477 -10.073 464 HE2 HIS 63 2HE HIS 63 -12.126 -3.453 -11.095 465 H GLN 64 H GLN 64 -11.487 -6.391 -4.234 466 HA GLN 64 HA GLN 64 -9.390 -5.139 -2.826 467 HB2 GLN 64 1HB GLN 64 -11.172 -7.459 -2.076 468 HB3 GLN 64 2HB GLN 64 -10.059 -6.680 -0.960 469 HG2 GLN 64 1HG GLN 64 -11.287 -4.716 -0.902 470 HG3 GLN 64 2HG GLN 64 -12.119 -5.077 -2.414 471 HE21 GLN 64 2HE2 GLN 64 -14.719 -5.656 -0.043 472 HE22 GLN 64 1HE2 GLN 64 -13.928 -4.398 -0.926 473 H GLU 65 H GLU 65 -9.820 -8.486 -3.935 474 HA GLU 65 HA GLU 65 -7.547 -9.624 -2.849 475 HB2 GLU 65 1HB GLU 65 -9.206 -10.184 -5.259 476 HB3 GLU 65 2HB GLU 65 -7.654 -11.000 -5.126 477 HG2 GLU 65 1HG GLU 65 -9.730 -11.059 -2.956 478 HG3 GLU 65 2HG GLU 65 -9.640 -12.258 -4.245 479 H LEU 66 H LEU 66 -7.891 -7.840 -5.890 480 HA LEU 66 HA LEU 66 -5.344 -8.218 -6.925 481 HB2 LEU 66 1HB LEU 66 -7.428 -6.124 -7.189 482 HB3 LEU 66 2HB LEU 66 -5.813 -5.743 -7.781 483 HG LEU 66 HG LEU 66 -7.349 -8.172 -8.677 484 HD11 LEU 66 1HD1 LEU 66 -8.563 -6.033 -9.163 485 HD12 LEU 66 2HD1 LEU 66 -8.099 -6.970 -10.583 486 HD13 LEU 66 3HD1 LEU 66 -7.170 -5.541 -10.128 487 HD21 LEU 66 3HD2 LEU 66 -5.221 -8.585 -9.351 488 HD22 LEU 66 1HD2 LEU 66 -4.776 -6.879 -9.372 489 HD23 LEU 66 2HD2 LEU 66 -5.724 -7.559 -10.695 490 H ILE 67 H ILE 67 -6.491 -5.604 -4.798 491 HA ILE 67 HA ILE 67 -3.873 -4.474 -4.506 492 HB ILE 67 HB ILE 67 -6.403 -3.981 -2.933 493 HG12 ILE 67 1HG1 ILE 67 -5.100 -2.257 -5.045 494 HG13 ILE 67 2HG1 ILE 67 -6.397 -3.395 -5.392 495 HG21 ILE 67 1HG2 ILE 67 -4.562 -3.363 -1.555 496 HG22 ILE 67 2HG2 ILE 67 -3.745 -2.569 -2.900 497 HG23 ILE 67 3HG2 ILE 67 -5.227 -1.880 -2.238 498 HD11 ILE 67 3HD1 ILE 67 -7.879 -2.180 -3.900 499 HD12 ILE 67 1HD1 ILE 67 -6.578 -1.055 -3.509 500 HD13 ILE 67 2HD1 ILE 67 -7.226 -1.119 -5.149 501 H LEU 68 H LEU 68 -6.067 -5.825 -2.036 502 HA LEU 68 HA LEU 68 -4.462 -6.072 0.089 503 HB2 LEU 68 1HB LEU 68 -6.449 -8.029 -1.011 504 HB3 LEU 68 2HB LEU 68 -5.602 -8.343 0.502 505 HG LEU 68 HG LEU 68 -7.305 -5.905 0.010 506 HD11 LEU 68 1HD1 LEU 68 -8.501 -8.162 -0.083 507 HD12 LEU 68 2HD1 LEU 68 -9.110 -6.959 1.053 508 HD13 LEU 68 3HD1 LEU 68 -8.114 -8.294 1.633 509 HD21 LEU 68 3HD2 LEU 68 -7.205 -5.643 2.408 510 HD22 LEU 68 1HD2 LEU 68 -5.569 -5.717 1.754 511 HD23 LEU 68 2HD2 LEU 68 -6.259 -7.124 2.563 512 H GLY 69 H GLY 69 -4.486 -8.368 -2.627 513 HA2 GLY 69 1HA GLY 69 -2.624 -10.194 -1.696 514 HA3 GLY 69 2HA GLY 69 -2.866 -9.804 -3.392 515 H GLY 70 H GLY 70 -1.934 -7.372 -3.775 516 HA2 GLY 70 1HA GLY 70 0.851 -7.664 -3.761 517 HA3 GLY 70 2HA GLY 70 -0.007 -6.163 -4.076 518 H VAL 71 H VAL 71 -1.276 -5.911 -1.549 519 HA VAL 71 HA VAL 71 0.646 -4.499 -0.115 520 HB VAL 71 HB VAL 71 -1.919 -5.696 0.943 521 HG11 VAL 71 1HG1 VAL 71 -1.044 -3.205 2.131 522 HG12 VAL 71 2HG1 VAL 71 -1.519 -4.718 2.905 523 HG13 VAL 71 3HG1 VAL 71 0.142 -4.491 2.355 524 HG21 VAL 71 3HG2 VAL 71 -2.846 -4.297 -0.545 525 HG22 VAL 71 1HG2 VAL 71 -2.362 -3.028 0.580 526 HG23 VAL 71 2HG2 VAL 71 -1.338 -3.418 -0.802 527 H GLU 72 H GLU 72 -0.705 -7.726 0.555 528 HA GLU 72 HA GLU 72 0.557 -8.381 2.872 529 HB2 GLU 72 1HB GLU 72 0.103 -10.132 0.453 530 HB3 GLU 72 2HB GLU 72 0.594 -10.747 2.025 531 HG2 GLU 72 1HG GLU 72 -1.975 -9.345 1.339 532 HG3 GLU 72 2HG GLU 72 -1.763 -11.034 1.794 533 H GLN 73 H GLN 73 1.981 -8.184 -0.322 534 HA GLN 73 HA GLN 73 4.490 -9.340 0.505 535 HB2 GLN 73 1HB GLN 73 3.569 -7.993 -2.029 536 HB3 GLN 73 2HB GLN 73 5.229 -8.523 -1.792 537 HG2 GLN 73 1HG GLN 73 4.250 -10.821 -1.301 538 HG3 GLN 73 2HG GLN 73 2.746 -10.190 -1.970 539 HE21 GLN 73 2HE2 GLN 73 3.856 -11.419 -5.027 540 HE22 GLN 73 1HE2 GLN 73 2.731 -11.551 -3.723 541 H LEU 74 H LEU 74 3.117 -6.150 0.151 542 HA LEU 74 HA LEU 74 5.500 -4.653 0.183 543 HB2 LEU 74 1HB LEU 74 2.636 -4.114 0.729 544 HB3 LEU 74 2HB LEU 74 3.808 -2.942 1.327 545 HG LEU 74 HG LEU 74 3.287 -3.732 -1.532 546 HD11 LEU 74 1HD1 LEU 74 2.638 -1.433 0.194 547 HD12 LEU 74 2HD1 LEU 74 1.785 -2.084 -1.205 548 HD13 LEU 74 3HD1 LEU 74 3.194 -1.048 -1.435 549 HD21 LEU 74 3HD2 LEU 74 5.709 -2.706 -0.292 550 HD22 LEU 74 1HD2 LEU 74 5.091 -1.651 -1.562 551 HD23 LEU 74 2HD2 LEU 74 5.448 -3.341 -1.917 552 H GLN 75 H GLN 75 3.372 -5.744 2.801 553 HA GLN 75 HA GLN 75 4.595 -4.467 4.936 554 HB2 GLN 75 1HB GLN 75 3.417 -7.249 4.982 555 HB3 GLN 75 2HB GLN 75 3.605 -6.164 6.353 556 HG2 GLN 75 1HG GLN 75 1.968 -4.662 5.474 557 HG3 GLN 75 2HG GLN 75 1.880 -5.568 3.964 558 HE21 GLN 75 2HE2 GLN 75 -0.747 -7.462 5.122 559 HE22 GLN 75 1HE2 GLN 75 0.045 -6.626 3.835 560 H ALA 76 H ALA 76 5.573 -7.325 3.174 561 HA ALA 76 HA ALA 76 7.565 -8.152 5.054 562 HB1 ALA 76 3HB ALA 76 7.120 -8.889 2.166 563 HB2 ALA 76 1HB ALA 76 8.321 -9.642 3.216 564 HB3 ALA 76 2HB ALA 76 6.604 -9.793 3.590 565 H LEU 77 H LEU 77 7.990 -7.039 1.692 566 HA LEU 77 HA LEU 77 10.686 -6.478 1.834 567 HB2 LEU 77 1HB LEU 77 10.289 -4.913 -0.054 568 HB3 LEU 77 2HB LEU 77 9.576 -6.510 -0.273 569 HG LEU 77 HG LEU 77 7.438 -5.254 0.699 570 HD11 LEU 77 1HD1 LEU 77 7.856 -3.074 0.967 571 HD12 LEU 77 2HD1 LEU 77 7.723 -2.985 -0.789 572 HD13 LEU 77 3HD1 LEU 77 9.309 -3.130 -0.031 573 HD21 LEU 77 3HD2 LEU 77 8.509 -5.445 -2.086 574 HD22 LEU 77 1HD2 LEU 77 6.961 -4.655 -1.782 575 HD23 LEU 77 2HD2 LEU 77 7.194 -6.343 -1.325 576 H SER 78 H SER 78 7.963 -4.300 2.502 577 HA SER 78 HA SER 78 9.267 -1.931 2.927 578 HB2 SER 78 1HB SER 78 6.832 -2.140 3.049 579 HB3 SER 78 2HB SER 78 6.969 -3.056 4.550 580 HG SER 78 HG SER 78 7.964 -1.171 5.466 581 H SER 79 H SER 79 8.664 -4.435 5.391 582 HA SER 79 HA SER 79 10.209 -3.128 7.391 583 HB2 SER 79 1HB SER 79 9.012 -5.872 7.120 584 HB3 SER 79 2HB SER 79 10.093 -5.497 8.461 585 HG SER 79 HG SER 79 8.628 -3.641 8.817 586 H ARG 80 H ARG 80 10.817 -6.080 5.483 587 HA ARG 80 HA ARG 80 13.309 -6.757 6.314 588 HB2 ARG 80 1HB ARG 80 12.039 -7.983 4.593 589 HB3 ARG 80 2HB ARG 80 12.390 -6.708 3.435 590 HG2 ARG 80 1HG ARG 80 13.895 -8.469 2.987 591 HG3 ARG 80 2HG ARG 80 14.828 -7.203 3.788 592 HD2 ARG 80 1HD ARG 80 15.510 -9.207 4.807 593 HD3 ARG 80 2HD ARG 80 14.390 -8.467 5.950 594 HE ARG 80 HE ARG 80 12.952 -10.224 5.634 595 HH11 ARG 80 2HH1 ARG 80 15.376 -10.252 3.135 596 HH12 ARG 80 1HH1 ARG 80 14.908 -11.801 2.517 597 HH21 ARG 80 1HH2 ARG 80 13.173 -12.945 3.481 598 HH22 ARG 80 2HH2 ARG 80 12.327 -12.265 4.829 599 H LEU 81 H LEU 81 15.458 -6.351 5.488 600 HA LEU 81 HA LEU 81 15.862 -3.516 4.946 601 HB2 LEU 81 1HB LEU 81 17.744 -5.734 5.719 602 HB3 LEU 81 2HB LEU 81 18.274 -4.095 5.349 603 HG LEU 81 HG LEU 81 16.669 -3.387 7.242 604 HD11 LEU 81 1HD1 LEU 81 16.768 -5.374 8.985 605 HD12 LEU 81 2HD1 LEU 81 16.712 -6.342 7.513 606 HD13 LEU 81 3HD1 LEU 81 15.423 -5.189 7.859 607 HD21 LEU 81 3HD2 LEU 81 19.385 -4.132 7.160 608 HD22 LEU 81 1HD2 LEU 81 18.734 -4.741 8.681 609 HD23 LEU 81 2HD2 LEU 81 18.593 -3.028 8.285 610 H GLN 82 H GLN 82 17.024 -6.631 3.660 611 HA GLN 82 HA GLN 82 17.479 -5.281 1.081 612 HB2 GLN 82 1HB GLN 82 19.530 -6.144 2.237 613 HB3 GLN 82 2HB GLN 82 18.869 -7.767 2.087 614 HG2 GLN 82 1HG GLN 82 19.174 -6.072 -0.346 615 HG3 GLN 82 2HG GLN 82 20.583 -6.873 0.347 616 HE21 GLN 82 2HE2 GLN 82 19.731 -10.057 -0.759 617 HE22 GLN 82 1HE2 GLN 82 20.772 -9.078 0.213 618 H THR 83 H THR 83 15.915 -5.762 -0.305 619 HA THR 83 HA THR 83 15.213 -8.547 -0.756 620 HB THR 83 HB THR 83 13.573 -7.768 0.938 621 HG1 THR 83 1HG THR 83 12.999 -9.328 -0.699 622 HG21 THR 83 3HG2 THR 83 12.428 -5.847 0.768 623 HG22 THR 83 1HG2 THR 83 12.060 -6.117 -0.934 624 HG23 THR 83 2HG2 THR 83 13.603 -5.402 -0.469 625 H GLU 84 H GLU 84 14.936 -8.953 -2.864 626 HA GLU 84 HA GLU 84 15.533 -7.115 -4.843 627 HB2 GLU 84 1HB GLU 84 15.337 -9.726 -4.902 628 HB3 GLU 84 2HB GLU 84 13.692 -9.404 -5.431 629 HG2 GLU 84 1HG GLU 84 14.609 -8.033 -7.280 630 HG3 GLU 84 2HG GLU 84 16.229 -8.518 -6.782 631 H ASN 85 H ASN 85 14.441 -5.221 -4.914 632 HA ASN 85 HA ASN 85 11.674 -4.913 -4.496 633 HB2 ASN 85 1HB ASN 85 13.312 -3.039 -6.188 634 HB3 ASN 85 2HB ASN 85 11.968 -2.660 -5.115 635 HD21 ASN 85 2HD2 ASN 85 15.763 -2.849 -3.739 636 HD22 ASN 85 1HD2 ASN 85 15.352 -3.261 -5.365 637 H SER 86 H SER 86 13.490 -4.636 -7.558 638 HA SER 86 HA SER 86 12.892 -5.011 -9.720 639 HB2 SER 86 1HB SER 86 10.929 -6.939 -8.456 640 HB3 SER 86 2HB SER 86 11.368 -6.903 -10.163 641 HG SER 86 HG SER 86 12.545 -8.295 -8.365 642 H GLY 87 H GLY 87 11.791 -2.751 -8.594 643 HA2 GLY 87 1HA GLY 87 8.966 -2.703 -9.338 644 HA3 GLY 87 2HA GLY 87 9.852 -1.413 -8.538 645 HA PRO 88 HA PRO 88 9.972 0.703 -12.386 646 HB2 PRO 88 2HB PRO 88 10.487 2.582 -11.168 647 HB3 PRO 88 1HB PRO 88 12.074 2.354 -11.912 648 HG2 PRO 88 1HG PRO 88 12.952 1.326 -10.025 649 HG3 PRO 88 2HG PRO 88 11.813 2.451 -9.262 650 HD2 PRO 88 1HD PRO 88 11.749 -0.218 -8.809 651 HD3 PRO 88 2HD PRO 88 10.286 0.787 -8.799 652 H SER 89 H SER 89 10.730 0.038 -14.287 653 HA SER 89 HA SER 89 13.245 -1.423 -14.406 654 HB2 SER 89 1HB SER 89 12.540 -2.129 -16.609 655 HB3 SER 89 2HB SER 89 11.177 -2.308 -15.504 656 HG SER 89 HG SER 89 10.470 -1.310 -17.383 657 H SER 90 H SER 90 11.716 1.376 -15.970 658 HA SER 90 HA SER 90 13.775 2.108 -17.673 659 HB2 SER 90 1HB SER 90 12.810 4.359 -17.641 660 HB3 SER 90 2HB SER 90 11.533 3.144 -17.694 661 HG SER 90 HG SER 90 12.435 4.214 -15.245 662 H GLY 91 H GLY 91 15.782 2.810 -17.367 663 HA2 GLY 91 1HA GLY 91 17.006 4.655 -16.075 664 HA3 GLY 91 2HA GLY 91 16.530 3.720 -14.665 Start of MODEL 19 1 H1 GLY 1 H GLY 1 17.676 17.442 2.435 2 HA2 GLY 1 1HA GLY 1 16.540 15.358 2.381 3 HA3 GLY 1 2HA GLY 1 18.240 14.915 2.378 4 H SER 2 H SER 2 15.280 14.750 4.056 5 HA SER 2 HA SER 2 16.386 14.064 6.621 6 HB2 SER 2 1HB SER 2 14.063 15.093 6.120 7 HB3 SER 2 2HB SER 2 13.573 13.441 5.749 8 HG SER 2 HG SER 2 14.437 14.531 8.199 9 H SER 3 H SER 3 17.236 12.170 7.133 10 HA SER 3 HA SER 3 16.157 9.735 5.903 11 HB2 SER 3 1HB SER 3 19.050 10.586 5.962 12 HB3 SER 3 2HB SER 3 18.581 8.894 5.796 13 HG SER 3 HG SER 3 17.429 9.470 3.917 14 H GLY 4 H GLY 4 15.957 8.041 7.270 15 HA2 GLY 4 1HA GLY 4 17.477 7.914 9.732 16 HA3 GLY 4 2HA GLY 4 15.766 8.249 9.950 17 H SER 5 H SER 5 17.418 6.117 7.639 18 HA SER 5 HA SER 5 16.502 3.747 9.009 19 HB2 SER 5 1HB SER 5 15.089 2.911 7.230 20 HB3 SER 5 2HB SER 5 14.492 4.494 7.725 21 HG SER 5 HG SER 5 14.561 4.644 5.567 22 H SER 6 H SER 6 17.343 1.790 8.084 23 HA SER 6 HA SER 6 19.919 2.202 6.856 24 HB2 SER 6 1HB SER 6 19.797 0.557 8.606 25 HB3 SER 6 2HB SER 6 18.480 -0.288 7.792 26 HG SER 6 HG SER 6 21.214 -0.282 7.237 27 H GLY 7 H GLY 7 17.065 0.221 6.028 28 HA2 GLY 7 1HA GLY 7 17.988 0.226 3.230 29 HA3 GLY 7 2HA GLY 7 16.901 -0.961 3.935 30 H MET 8 H MET 8 15.787 -0.301 1.831 31 HA MET 8 HA MET 8 14.621 2.058 1.231 32 HB2 MET 8 1HB MET 8 14.317 -0.113 0.009 33 HB3 MET 8 2HB MET 8 13.103 -0.553 1.202 34 HG2 MET 8 1HG MET 8 11.995 1.691 0.519 35 HG3 MET 8 2HG MET 8 12.996 1.536 -0.923 36 HE1 MET 8 3HE MET 8 9.514 -1.027 0.451 37 HE2 MET 8 1HE MET 8 10.432 0.180 1.352 38 HE3 MET 8 2HE MET 8 9.282 0.689 0.115 39 H GLU 9 H GLU 9 12.978 3.339 1.934 40 HA GLU 9 HA GLU 9 12.253 3.293 4.633 41 HB2 GLU 9 1HB GLU 9 12.137 5.183 2.782 42 HB3 GLU 9 2HB GLU 9 10.472 4.634 2.649 43 HG2 GLU 9 1HG GLU 9 9.987 5.222 4.869 44 HG3 GLU 9 2HG GLU 9 11.692 5.396 5.280 45 HA PRO 10 HA PRO 10 9.011 0.315 4.795 46 HB2 PRO 10 2HB PRO 10 9.353 0.297 7.067 47 HB3 PRO 10 1HB PRO 10 7.805 1.151 7.079 48 HG2 PRO 10 1HG PRO 10 8.810 3.232 7.303 49 HG3 PRO 10 2HG PRO 10 9.966 2.232 8.203 50 HD2 PRO 10 1HD PRO 10 10.706 3.802 6.124 51 HD3 PRO 10 2HD PRO 10 11.515 2.266 6.496 52 H VAL 11 H VAL 11 7.208 0.271 3.622 53 HA VAL 11 HA VAL 11 5.850 2.483 2.647 54 HB VAL 11 HB VAL 11 4.766 -0.310 3.045 55 HG11 VAL 11 1HG1 VAL 11 3.814 1.848 1.165 56 HG12 VAL 11 2HG1 VAL 11 3.128 0.234 1.362 57 HG13 VAL 11 3HG1 VAL 11 3.019 1.406 2.676 58 HG21 VAL 11 3HG2 VAL 11 5.360 -0.540 0.620 59 HG22 VAL 11 1HG2 VAL 11 6.228 0.989 0.753 60 HG23 VAL 11 2HG2 VAL 11 6.742 -0.402 1.708 61 H GLU 12 H GLU 12 5.563 0.893 5.701 62 HA GLU 12 HA GLU 12 2.950 1.673 6.400 63 HB2 GLU 12 1HB GLU 12 3.417 0.849 8.491 64 HB3 GLU 12 2HB GLU 12 4.669 0.043 7.558 65 HG2 GLU 12 1HG GLU 12 6.215 1.907 8.201 66 HG3 GLU 12 2HG GLU 12 4.960 2.472 9.302 67 H THR 13 H THR 13 5.909 3.423 6.213 68 HA THR 13 HA THR 13 4.828 5.644 7.789 69 HB THR 13 HB THR 13 7.066 6.627 7.654 70 HG1 THR 13 1HG THR 13 7.362 4.709 5.707 71 HG21 THR 13 3HG2 THR 13 6.881 3.762 8.552 72 HG22 THR 13 1HG2 THR 13 6.790 5.226 9.530 73 HG23 THR 13 2HG2 THR 13 8.327 4.736 8.816 74 H TRP 14 H TRP 14 5.120 4.607 4.586 75 HA TRP 14 HA TRP 14 5.638 6.868 3.108 76 HB2 TRP 14 1HB TRP 14 3.803 4.535 2.627 77 HB3 TRP 14 2HB TRP 14 3.927 5.842 1.452 78 HD1 TRP 14 HD TRP 14 7.195 5.173 3.107 79 HE1 TRP 14 1HE TRP 14 8.737 3.855 1.521 80 HE3 TRP 14 3HE TRP 14 3.769 3.866 -0.456 81 HZ2 TRP 14 2HZ TRP 14 8.528 2.449 -0.917 82 HZ3 TRP 14 3HZ TRP 14 4.521 2.534 -2.383 83 HH2 TRP 14 HH TRP 14 6.852 1.841 -2.607 84 H THR 15 H THR 15 4.480 8.617 2.379 85 HA THR 15 HA THR 15 2.412 9.589 4.068 86 HB THR 15 HB THR 15 2.306 11.510 2.544 87 HG1 THR 15 1HG THR 15 2.895 9.935 0.677 88 HG21 THR 15 3HG2 THR 15 4.354 10.877 4.175 89 HG22 THR 15 1HG2 THR 15 4.264 12.389 3.272 90 HG23 THR 15 2HG2 THR 15 5.221 11.046 2.649 91 HA PRO 16 HA PRO 16 -1.230 8.112 2.107 92 HB2 PRO 16 2HB PRO 16 -2.398 9.055 3.847 93 HB3 PRO 16 1HB PRO 16 -2.936 10.170 2.584 94 HG2 PRO 16 1HG PRO 16 -1.404 11.803 3.196 95 HG3 PRO 16 2HG PRO 16 -1.732 11.078 4.780 96 HD2 PRO 16 1HD PRO 16 0.769 11.284 3.762 97 HD3 PRO 16 2HD PRO 16 0.275 9.945 4.818 98 H GLY 17 H GLY 17 0.630 10.477 0.798 99 HA2 GLY 17 1HA GLY 17 -1.276 11.081 -1.368 100 HA3 GLY 17 2HA GLY 17 0.155 12.027 -0.989 101 H LYS 18 H LYS 18 1.410 9.157 -0.646 102 HA LYS 18 HA LYS 18 2.364 9.058 -3.399 103 HB2 LYS 18 1HB LYS 18 3.310 7.590 -0.930 104 HB3 LYS 18 2HB LYS 18 4.083 7.524 -2.508 105 HG2 LYS 18 1HG LYS 18 4.875 9.691 -2.358 106 HG3 LYS 18 2HG LYS 18 3.680 10.151 -1.142 107 HD2 LYS 18 1HD LYS 18 4.806 8.737 0.504 108 HD3 LYS 18 2HD LYS 18 5.991 8.256 -0.712 109 HE2 LYS 18 1HE LYS 18 6.617 10.661 -0.943 110 HE3 LYS 18 2HE LYS 18 5.547 11.018 0.412 111 HZ1 LYS 18 3HZ LYS 18 8.200 9.980 0.435 112 HZ2 LYS 18 1HZ LYS 18 7.144 8.973 1.292 113 HZ3 LYS 18 2HZ LYS 18 7.282 10.606 1.710 114 H VAL 19 H VAL 19 0.909 6.902 -0.982 115 HA VAL 19 HA VAL 19 0.833 4.510 -2.241 116 HB VAL 19 HB VAL 19 -1.467 5.803 -0.769 117 HG11 VAL 19 1HG1 VAL 19 -2.031 3.816 -2.255 118 HG12 VAL 19 2HG1 VAL 19 -1.040 2.853 -1.157 119 HG13 VAL 19 3HG1 VAL 19 -2.472 3.688 -0.552 120 HG21 VAL 19 3HG2 VAL 19 -0.348 3.885 0.852 121 HG22 VAL 19 1HG2 VAL 19 1.055 4.598 0.057 122 HG23 VAL 19 2HG2 VAL 19 -0.061 5.621 0.961 123 H ALA 20 H ALA 20 -1.023 7.355 -3.091 124 HA ALA 20 HA ALA 20 -2.951 6.257 -4.757 125 HB1 ALA 20 3HB ALA 20 -1.932 8.717 -5.860 126 HB2 ALA 20 1HB ALA 20 -3.480 8.390 -5.080 127 HB3 ALA 20 2HB ALA 20 -2.074 8.821 -4.105 128 H THR 21 H THR 21 0.390 7.175 -5.498 129 HA THR 21 HA THR 21 0.238 6.586 -8.270 130 HB THR 21 HB THR 21 2.685 6.670 -6.494 131 HG1 THR 21 1HG THR 21 2.819 8.830 -7.220 132 HG21 THR 21 3HG2 THR 21 3.491 7.468 -8.959 133 HG22 THR 21 1HG2 THR 21 2.281 6.257 -9.380 134 HG23 THR 21 2HG2 THR 21 3.645 5.820 -8.351 135 H TRP 22 H TRP 22 1.692 4.794 -5.550 136 HA TRP 22 HA TRP 22 2.452 2.530 -6.997 137 HB2 TRP 22 1HB TRP 22 3.252 2.970 -4.729 138 HB3 TRP 22 2HB TRP 22 1.626 2.738 -4.093 139 HD1 TRP 22 HD TRP 22 4.625 0.789 -5.435 140 HE1 TRP 22 1HE TRP 22 4.322 -1.699 -4.851 141 HE3 TRP 22 3HE TRP 22 -0.157 0.955 -3.634 142 HZ2 TRP 22 2HZ TRP 22 2.320 -3.371 -3.770 143 HZ3 TRP 22 3HZ TRP 22 -1.193 -1.132 -2.845 144 HH2 TRP 22 HH TRP 22 0.021 -3.250 -2.913 145 H LEU 23 H LEU 23 -0.647 3.501 -5.746 146 HA LEU 23 HA LEU 23 -1.860 0.907 -6.037 147 HB2 LEU 23 1HB LEU 23 -2.773 3.632 -5.280 148 HB3 LEU 23 2HB LEU 23 -3.981 2.486 -5.856 149 HG LEU 23 HG LEU 23 -2.144 2.001 -3.512 150 HD11 LEU 23 1HD1 LEU 23 -4.038 3.852 -3.450 151 HD12 LEU 23 2HD1 LEU 23 -3.733 2.781 -2.083 152 HD13 LEU 23 3HD1 LEU 23 -5.061 2.439 -3.191 153 HD21 LEU 23 3HD2 LEU 23 -4.056 0.363 -5.000 154 HD22 LEU 23 1HD2 LEU 23 -4.323 0.374 -3.257 155 HD23 LEU 23 2HD2 LEU 23 -2.758 -0.115 -3.906 156 H ARG 24 H ARG 24 -1.652 3.870 -7.919 157 HA ARG 24 HA ARG 24 -3.579 3.163 -9.871 158 HB2 ARG 24 1HB ARG 24 -2.480 5.468 -9.338 159 HB3 ARG 24 2HB ARG 24 -1.240 4.942 -10.469 160 HG2 ARG 24 1HG ARG 24 -4.099 4.805 -11.291 161 HG3 ARG 24 2HG ARG 24 -3.276 6.365 -11.277 162 HD2 ARG 24 1HD ARG 24 -1.431 5.116 -12.605 163 HD3 ARG 24 2HD ARG 24 -2.699 3.932 -12.922 164 HE ARG 24 HE ARG 24 -3.675 6.490 -13.528 165 HH11 ARG 24 2HH1 ARG 24 -1.349 4.173 -14.686 166 HH12 ARG 24 1HH1 ARG 24 -1.454 4.696 -16.334 167 HH21 ARG 24 1HH2 ARG 24 -2.861 6.411 -16.907 168 HH22 ARG 24 2HH2 ARG 24 -3.823 7.187 -15.695 169 H GLY 25 H GLY 25 -0.187 2.445 -9.462 170 HA2 GLY 25 1HA GLY 25 0.166 1.473 -12.157 171 HA3 GLY 25 2HA GLY 25 1.324 1.349 -10.840 172 H LEU 26 H LEU 26 -0.758 0.119 -9.087 173 HA LEU 26 HA LEU 26 -0.122 -2.497 -9.193 174 HB2 LEU 26 1HB LEU 26 -2.536 -1.043 -8.287 175 HB3 LEU 26 2HB LEU 26 -2.671 -2.794 -8.436 176 HG LEU 26 HG LEU 26 -0.595 -1.384 -6.763 177 HD11 LEU 26 1HD1 LEU 26 -2.008 -2.268 -4.863 178 HD12 LEU 26 2HD1 LEU 26 -3.287 -2.516 -6.050 179 HD13 LEU 26 3HD1 LEU 26 -2.668 -0.893 -5.748 180 HD21 LEU 26 3HD2 LEU 26 -1.420 -4.210 -6.372 181 HD22 LEU 26 1HD2 LEU 26 0.140 -3.435 -6.097 182 HD23 LEU 26 2HD2 LEU 26 -0.368 -3.835 -7.738 183 H ASP 27 H ASP 27 -3.154 -1.293 -10.643 184 HA ASP 27 HA ASP 27 -2.760 -3.009 -12.949 185 HB2 ASP 27 1HB ASP 27 -4.949 -3.439 -10.931 186 HB3 ASP 27 2HB ASP 27 -5.163 -3.906 -12.616 187 H ASP 28 H ASP 28 -4.261 -2.563 -14.679 188 HA ASP 28 HA ASP 28 -4.909 0.218 -14.842 189 HB2 ASP 28 1HB ASP 28 -4.241 -0.586 -16.899 190 HB3 ASP 28 2HB ASP 28 -5.070 -2.125 -16.686 191 H SER 29 H SER 29 -6.606 -2.616 -13.913 192 HA SER 29 HA SER 29 -9.242 -1.600 -14.457 193 HB2 SER 29 1HB SER 29 -10.044 -3.600 -13.356 194 HB3 SER 29 2HB SER 29 -8.698 -4.040 -14.408 195 HG SER 29 HG SER 29 -8.919 -4.197 -11.682 196 H LEU 30 H LEU 30 -7.019 -1.608 -11.766 197 HA LEU 30 HA LEU 30 -9.033 -0.561 -9.941 198 HB2 LEU 30 1HB LEU 30 -6.108 -0.904 -9.358 199 HB3 LEU 30 2HB LEU 30 -7.452 -0.845 -8.219 200 HG LEU 30 HG LEU 30 -7.277 -3.089 -10.187 201 HD11 LEU 30 1HD1 LEU 30 -5.132 -2.542 -8.602 202 HD12 LEU 30 2HD1 LEU 30 -5.585 -4.147 -9.172 203 HD13 LEU 30 3HD1 LEU 30 -6.080 -3.610 -7.567 204 HD21 LEU 30 3HD2 LEU 30 -8.067 -3.856 -7.584 205 HD22 LEU 30 1HD2 LEU 30 -9.054 -3.758 -9.043 206 HD23 LEU 30 2HD2 LEU 30 -8.919 -2.361 -7.974 207 H GLN 31 H GLN 31 -6.360 0.517 -11.882 208 HA GLN 31 HA GLN 31 -5.661 2.901 -10.687 209 HB2 GLN 31 1HB GLN 31 -4.618 3.441 -12.657 210 HB3 GLN 31 2HB GLN 31 -4.848 1.715 -12.903 211 HG2 GLN 31 1HG GLN 31 -6.853 2.165 -14.220 212 HG3 GLN 31 2HG GLN 31 -6.626 3.896 -13.971 213 HE21 GLN 31 2HE2 GLN 31 -5.078 3.809 -17.102 214 HE22 GLN 31 1HE2 GLN 31 -6.494 4.225 -16.205 215 H ASP 32 H ASP 32 -8.649 2.038 -12.091 216 HA ASP 32 HA ASP 32 -9.565 4.609 -12.861 217 HB2 ASP 32 1HB ASP 32 -11.574 3.590 -13.331 218 HB3 ASP 32 2HB ASP 32 -10.508 2.188 -13.354 219 H TYR 33 H TYR 33 -10.191 2.651 -9.951 220 HA TYR 33 HA TYR 33 -11.835 4.281 -8.534 221 HB2 TYR 33 1HB TYR 33 -9.605 2.471 -7.693 222 HB3 TYR 33 2HB TYR 33 -10.408 3.461 -6.478 223 HD1 TYR 33 2HD TYR 33 -13.038 3.324 -6.495 224 HD2 TYR 33 1HD TYR 33 -10.467 0.379 -8.174 225 HE1 TYR 33 2HE TYR 33 -14.843 1.662 -6.328 226 HE2 TYR 33 1HE TYR 33 -12.265 -1.292 -8.013 227 HH TYR 33 HH TYR 33 -15.184 -0.687 -6.274 228 HA PRO 34 HA PRO 34 -9.702 8.086 -7.896 229 HB2 PRO 34 2HB PRO 34 -11.772 8.993 -7.486 230 HB3 PRO 34 1HB PRO 34 -11.181 9.022 -5.821 231 HG2 PRO 34 1HG PRO 34 -12.315 7.078 -5.250 232 HG3 PRO 34 2HG PRO 34 -13.440 7.754 -6.442 233 HD2 PRO 34 1HD PRO 34 -12.405 5.262 -6.665 234 HD3 PRO 34 2HD PRO 34 -12.801 6.261 -8.078 235 H PHE 35 H PHE 35 -7.780 6.844 -7.147 236 HA PHE 35 HA PHE 35 -7.391 6.168 -4.439 237 HB2 PHE 35 1HB PHE 35 -5.461 6.766 -6.680 238 HB3 PHE 35 2HB PHE 35 -4.924 6.289 -5.072 239 HD1 PHE 35 2HD PHE 35 -6.765 4.215 -4.297 240 HD2 PHE 35 1HD PHE 35 -5.059 5.016 -8.114 241 HE1 PHE 35 2HE PHE 35 -7.034 1.848 -4.910 242 HE2 PHE 35 1HE PHE 35 -5.326 2.650 -8.734 243 HZ PHE 35 HZ PHE 35 -6.314 1.062 -7.131 244 H GLU 36 H GLU 36 -6.403 9.038 -6.297 245 HA GLU 36 HA GLU 36 -5.050 10.437 -4.363 246 HB2 GLU 36 1HB GLU 36 -6.867 11.402 -6.564 247 HB3 GLU 36 2HB GLU 36 -5.979 12.515 -5.533 248 HG2 GLU 36 1HG GLU 36 -4.763 12.186 -7.567 249 HG3 GLU 36 2HG GLU 36 -3.875 11.440 -6.240 250 H ASP 37 H ASP 37 -8.395 9.676 -4.463 251 HA ASP 37 HA ASP 37 -9.144 11.735 -2.555 252 HB2 ASP 37 1HB ASP 37 -10.635 10.910 -4.457 253 HB3 ASP 37 2HB ASP 37 -10.869 9.449 -3.501 254 H TRP 38 H TRP 38 -8.308 8.362 -2.612 255 HA TRP 38 HA TRP 38 -9.413 7.459 -0.237 256 HB2 TRP 38 1HB TRP 38 -6.801 6.748 -1.575 257 HB3 TRP 38 2HB TRP 38 -7.427 5.888 -0.171 258 HD1 TRP 38 HD TRP 38 -9.996 6.971 -2.718 259 HE1 TRP 38 1HE TRP 38 -10.855 4.907 -3.994 260 HE3 TRP 38 3HE TRP 38 -6.620 3.518 -1.040 261 HZ2 TRP 38 2HZ TRP 38 -10.189 2.176 -4.254 262 HZ3 TRP 38 3HZ TRP 38 -6.801 1.202 -1.850 263 HH2 TRP 38 HH TRP 38 -8.549 0.547 -3.424 264 H GLN 39 H GLN 39 -6.362 9.185 -0.760 265 HA GLN 39 HA GLN 39 -4.875 10.130 0.691 266 HB2 GLN 39 1HB GLN 39 -7.480 10.734 2.099 267 HB3 GLN 39 2HB GLN 39 -5.940 11.480 2.506 268 HG2 GLN 39 1HG GLN 39 -5.888 12.174 0.019 269 HG3 GLN 39 2HG GLN 39 -7.615 11.827 0.058 270 HE21 GLN 39 2HE2 GLN 39 -6.137 15.215 1.649 271 HE22 GLN 39 1HE2 GLN 39 -5.143 14.023 0.891 272 H LEU 40 H LEU 40 -5.235 7.342 1.073 273 HA LEU 40 HA LEU 40 -5.323 6.899 3.941 274 HB2 LEU 40 1HB LEU 40 -6.375 5.243 2.583 275 HB3 LEU 40 2HB LEU 40 -4.931 5.062 1.589 276 HG LEU 40 HG LEU 40 -3.902 4.329 3.940 277 HD11 LEU 40 1HD1 LEU 40 -5.564 2.922 5.120 278 HD12 LEU 40 2HD1 LEU 40 -6.830 3.642 4.126 279 HD13 LEU 40 3HD1 LEU 40 -5.899 4.649 5.235 280 HD21 LEU 40 3HD2 LEU 40 -5.337 2.803 1.820 281 HD22 LEU 40 1HD2 LEU 40 -4.743 1.947 3.243 282 HD23 LEU 40 2HD2 LEU 40 -3.619 2.839 2.218 283 HA PRO 41 HA PRO 41 -0.927 7.562 4.267 284 HB2 PRO 41 2HB PRO 41 -1.382 8.557 6.288 285 HB3 PRO 41 1HB PRO 41 -0.769 7.027 6.924 286 HG2 PRO 41 1HG PRO 41 -2.900 6.171 7.269 287 HG3 PRO 41 2HG PRO 41 -3.206 7.892 7.568 288 HD2 PRO 41 1HD PRO 41 -4.593 6.463 5.734 289 HD3 PRO 41 2HD PRO 41 -4.240 8.191 5.531 290 H GLY 42 H GLY 42 0.819 6.242 4.148 291 HA2 GLY 42 1HA GLY 42 0.708 3.600 3.561 292 HA3 GLY 42 2HA GLY 42 2.111 4.332 4.327 293 H LYS 43 H LYS 43 1.085 4.929 6.831 294 HA LYS 43 HA LYS 43 1.518 2.657 8.287 295 HB2 LYS 43 1HB LYS 43 0.691 3.799 10.175 296 HB3 LYS 43 2HB LYS 43 1.294 5.063 9.110 297 HG2 LYS 43 1HG LYS 43 -1.135 5.221 8.276 298 HG3 LYS 43 2HG LYS 43 -1.536 4.327 9.744 299 HD2 LYS 43 1HD LYS 43 0.224 6.715 9.983 300 HD3 LYS 43 2HD LYS 43 -1.498 6.972 9.694 301 HE2 LYS 43 1HE LYS 43 -0.447 5.201 11.890 302 HE3 LYS 43 2HE LYS 43 -0.763 6.921 12.115 303 HZ1 LYS 43 3HZ LYS 43 -2.642 5.586 12.822 304 HZ2 LYS 43 1HZ LYS 43 -2.763 4.888 11.285 305 HZ3 LYS 43 2HZ LYS 43 -3.068 6.539 11.491 306 H ASN 44 H ASN 44 -1.548 3.805 6.972 307 HA ASN 44 HA ASN 44 -2.988 1.558 8.126 308 HB2 ASN 44 1HB ASN 44 -3.898 3.850 6.373 309 HB3 ASN 44 2HB ASN 44 -4.966 2.597 6.999 310 HD21 ASN 44 2HD2 ASN 44 -5.215 5.491 9.237 311 HD22 ASN 44 1HD2 ASN 44 -5.546 5.144 7.577 312 H LEU 45 H LEU 45 -1.509 2.481 5.143 313 HA LEU 45 HA LEU 45 -2.891 0.965 3.284 314 HB2 LEU 45 1HB LEU 45 -1.175 2.506 2.616 315 HB3 LEU 45 2HB LEU 45 0.053 1.575 3.471 316 HG LEU 45 HG LEU 45 -0.303 -0.278 1.858 317 HD11 LEU 45 1HD1 LEU 45 -2.488 1.445 1.040 318 HD12 LEU 45 2HD1 LEU 45 -2.205 -0.262 0.703 319 HD13 LEU 45 3HD1 LEU 45 -1.460 0.971 -0.314 320 HD21 LEU 45 3HD2 LEU 45 1.243 1.913 1.604 321 HD22 LEU 45 1HD2 LEU 45 0.301 2.021 0.117 322 HD23 LEU 45 2HD2 LEU 45 1.247 0.572 0.458 323 H LEU 46 H LEU 46 0.019 -0.029 5.095 324 HA LEU 46 HA LEU 46 -0.124 -2.732 4.235 325 HB2 LEU 46 1HB LEU 46 1.335 -1.435 6.528 326 HB3 LEU 46 2HB LEU 46 1.529 -3.125 6.069 327 HG LEU 46 HG LEU 46 2.096 -0.883 4.150 328 HD11 LEU 46 1HD1 LEU 46 4.511 -1.292 4.794 329 HD12 LEU 46 2HD1 LEU 46 3.889 -2.076 6.245 330 HD13 LEU 46 3HD1 LEU 46 3.535 -0.375 5.943 331 HD21 LEU 46 3HD2 LEU 46 1.783 -3.342 3.465 332 HD22 LEU 46 1HD2 LEU 46 3.341 -3.608 4.248 333 HD23 LEU 46 2HD2 LEU 46 3.216 -2.490 2.889 334 H GLN 47 H GLN 47 -1.645 -0.951 6.764 335 HA GLN 47 HA GLN 47 -2.475 -3.406 8.130 336 HB2 GLN 47 1HB GLN 47 -2.623 -0.493 8.891 337 HB3 GLN 47 2HB GLN 47 -3.461 -1.747 9.796 338 HG2 GLN 47 1HG GLN 47 -0.490 -1.557 9.356 339 HG3 GLN 47 2HG GLN 47 -1.354 -1.180 10.846 340 HE21 GLN 47 2HE2 GLN 47 -2.127 -4.644 11.496 341 HE22 GLN 47 1HE2 GLN 47 -2.898 -3.099 11.463 342 H LEU 48 H LEU 48 -3.469 -2.053 5.496 343 HA LEU 48 HA LEU 48 -6.102 -1.218 5.807 344 HB2 LEU 48 1HB LEU 48 -4.513 -2.397 3.599 345 HB3 LEU 48 2HB LEU 48 -6.266 -2.387 3.419 346 HG LEU 48 HG LEU 48 -4.638 0.088 3.971 347 HD11 LEU 48 1HD1 LEU 48 -5.763 -0.637 1.294 348 HD12 LEU 48 2HD1 LEU 48 -4.153 -1.171 1.774 349 HD13 LEU 48 3HD1 LEU 48 -4.524 0.551 1.701 350 HD21 LEU 48 3HD2 LEU 48 -7.290 0.098 2.645 351 HD22 LEU 48 1HD2 LEU 48 -6.565 1.271 3.744 352 HD23 LEU 48 2HD2 LEU 48 -7.245 -0.228 4.378 353 H CYS 49 H CYS 49 -8.004 -2.529 4.817 354 HA CYS 49 HA CYS 49 -7.950 -5.352 5.482 355 HB2 CYS 49 1HB CYS 49 -9.515 -3.316 7.041 356 HB3 CYS 49 2HB CYS 49 -10.107 -4.966 6.883 357 HG CYS 49 HG CYS 49 -7.249 -3.919 8.429 358 HA PRO 50 HA PRO 50 -10.873 -5.663 2.228 359 HB2 PRO 50 2HB PRO 50 -10.726 -7.945 2.455 360 HB3 PRO 50 1HB PRO 50 -12.387 -7.768 3.032 361 HG2 PRO 50 1HG PRO 50 -11.757 -7.862 5.265 362 HG3 PRO 50 2HG PRO 50 -10.534 -8.931 4.553 363 HD2 PRO 50 1HD PRO 50 -9.886 -6.769 6.049 364 HD3 PRO 50 2HD PRO 50 -8.872 -7.341 4.708 365 H GLN 51 H GLN 51 -12.021 -5.244 5.484 366 HA GLN 51 HA GLN 51 -14.738 -4.665 4.622 367 HB2 GLN 51 1HB GLN 51 -13.475 -4.565 7.367 368 HB3 GLN 51 2HB GLN 51 -15.184 -4.328 7.028 369 HG2 GLN 51 1HG GLN 51 -13.658 -6.848 6.416 370 HG3 GLN 51 2HG GLN 51 -14.628 -6.588 7.865 371 HE21 GLN 51 2HE2 GLN 51 -17.704 -7.097 6.303 372 HE22 GLN 51 1HE2 GLN 51 -16.865 -6.521 7.699 373 H SER 52 H SER 52 -11.870 -2.992 5.754 374 HA SER 52 HA SER 52 -13.138 -0.453 6.078 375 HB2 SER 52 1HB SER 52 -10.220 -1.205 5.794 376 HB3 SER 52 2HB SER 52 -10.796 0.414 6.189 377 HG SER 52 HG SER 52 -11.999 -0.976 7.921 378 H LEU 53 H LEU 53 -11.246 -1.980 3.511 379 HA LEU 53 HA LEU 53 -10.829 0.097 1.786 380 HB2 LEU 53 1HB LEU 53 -11.374 -2.799 1.409 381 HB3 LEU 53 2HB LEU 53 -11.399 -1.763 -0.016 382 HG LEU 53 HG LEU 53 -9.034 -1.629 1.789 383 HD11 LEU 53 1HD1 LEU 53 -9.928 -4.035 0.420 384 HD12 LEU 53 2HD1 LEU 53 -8.656 -3.819 1.622 385 HD13 LEU 53 3HD1 LEU 53 -8.320 -3.513 -0.082 386 HD21 LEU 53 3HD2 LEU 53 -8.604 -1.786 -1.065 387 HD22 LEU 53 1HD2 LEU 53 -8.158 -0.516 0.074 388 HD23 LEU 53 2HD2 LEU 53 -9.765 -0.523 -0.654 389 H GLU 54 H GLU 54 -13.833 -1.635 2.369 390 HA GLU 54 HA GLU 54 -15.362 -0.758 0.234 391 HB2 GLU 54 1HB GLU 54 -16.274 -1.147 3.091 392 HB3 GLU 54 2HB GLU 54 -17.318 -1.106 1.677 393 HG2 GLU 54 1HG GLU 54 -16.298 -3.121 0.820 394 HG3 GLU 54 2HG GLU 54 -15.156 -3.143 2.163 395 H ALA 55 H ALA 55 -14.551 0.902 3.233 396 HA ALA 55 HA ALA 55 -16.302 3.067 3.038 397 HB1 ALA 55 3HB ALA 55 -14.700 4.258 4.489 398 HB2 ALA 55 1HB ALA 55 -15.055 2.627 5.059 399 HB3 ALA 55 2HB ALA 55 -13.534 2.960 4.229 400 H LEU 56 H LEU 56 -13.269 2.425 1.421 401 HA LEU 56 HA LEU 56 -13.043 5.109 0.371 402 HB2 LEU 56 1HB LEU 56 -11.512 2.655 -0.462 403 HB3 LEU 56 2HB LEU 56 -11.064 4.339 -0.730 404 HG LEU 56 HG LEU 56 -11.196 3.002 1.972 405 HD11 LEU 56 1HD1 LEU 56 -9.366 1.978 1.036 406 HD12 LEU 56 2HD1 LEU 56 -8.631 3.427 1.722 407 HD13 LEU 56 3HD1 LEU 56 -8.990 3.353 -0.003 408 HD21 LEU 56 3HD2 LEU 56 -10.372 5.736 1.039 409 HD22 LEU 56 1HD2 LEU 56 -9.811 5.055 2.567 410 HD23 LEU 56 2HD2 LEU 56 -11.536 5.302 2.292 411 H ALA 57 H ALA 57 -15.385 3.288 -0.235 412 HA ALA 57 HA ALA 57 -16.832 3.068 -1.987 413 HB1 ALA 57 3HB ALA 57 -16.744 4.866 -3.282 414 HB2 ALA 57 1HB ALA 57 -15.061 5.141 -2.832 415 HB3 ALA 57 2HB ALA 57 -15.448 4.112 -4.211 416 H VAL 58 H VAL 58 -14.578 1.201 -1.371 417 HA VAL 58 HA VAL 58 -14.374 -0.136 -3.989 418 HB VAL 58 HB VAL 58 -12.585 -0.494 -1.581 419 HG11 VAL 58 1HG1 VAL 58 -12.271 -1.555 -4.386 420 HG12 VAL 58 2HG1 VAL 58 -11.205 -1.855 -3.011 421 HG13 VAL 58 3HG1 VAL 58 -12.848 -2.499 -3.013 422 HG21 VAL 58 3HG2 VAL 58 -11.120 0.484 -3.752 423 HG22 VAL 58 1HG2 VAL 58 -12.583 1.467 -3.688 424 HG23 VAL 58 2HG2 VAL 58 -11.539 1.344 -2.271 425 H ARG 59 H ARG 59 -16.535 -0.998 -3.595 426 HA ARG 59 HA ARG 59 -16.796 -2.946 -1.451 427 HB2 ARG 59 1HB ARG 59 -18.728 -2.048 -3.596 428 HB3 ARG 59 2HB ARG 59 -19.109 -3.222 -2.343 429 HG2 ARG 59 1HG ARG 59 -18.292 -1.251 -0.772 430 HG3 ARG 59 2HG ARG 59 -18.791 -0.283 -2.161 431 HD2 ARG 59 1HD ARG 59 -20.525 -2.345 -0.809 432 HD3 ARG 59 2HD ARG 59 -20.576 -0.619 -0.455 433 HE ARG 59 HE ARG 59 -20.975 -0.641 -3.099 434 HH11 ARG 59 2HH1 ARG 59 -22.414 -2.503 -0.533 435 HH12 ARG 59 1HH1 ARG 59 -23.933 -2.690 -1.344 436 HH21 ARG 59 1HH2 ARG 59 -24.249 -1.767 -3.417 437 HH22 ARG 59 2HH2 ARG 59 -22.971 -0.880 -4.177 438 H SER 60 H SER 60 -16.250 -2.828 -4.888 439 HA SER 60 HA SER 60 -16.953 -5.434 -5.603 440 HB2 SER 60 1HB SER 60 -14.670 -3.813 -6.753 441 HB3 SER 60 2HB SER 60 -15.536 -5.129 -7.546 442 HG SER 60 HG SER 60 -16.362 -2.503 -7.028 443 H LEU 61 H LEU 61 -16.302 -6.742 -3.818 444 HA LEU 61 HA LEU 61 -13.950 -7.090 -2.590 445 HB2 LEU 61 1HB LEU 61 -16.128 -8.548 -2.628 446 HB3 LEU 61 2HB LEU 61 -15.196 -9.543 -3.745 447 HG LEU 61 HG LEU 61 -15.190 -10.278 -1.335 448 HD11 LEU 61 1HD1 LEU 61 -13.293 -11.337 -1.809 449 HD12 LEU 61 2HD1 LEU 61 -12.367 -9.837 -1.813 450 HD13 LEU 61 3HD1 LEU 61 -13.217 -10.352 -3.270 451 HD21 LEU 61 3HD2 LEU 61 -13.192 -8.098 -0.875 452 HD22 LEU 61 1HD2 LEU 61 -14.048 -9.096 0.300 453 HD23 LEU 61 2HD2 LEU 61 -14.907 -7.824 -0.569 454 H GLY 62 H GLY 62 -14.620 -7.967 -5.929 455 HA2 GLY 62 1HA GLY 62 -12.413 -9.521 -6.535 456 HA3 GLY 62 2HA GLY 62 -13.200 -8.437 -7.672 457 H HIS 63 H HIS 63 -12.643 -5.976 -6.844 458 HA HIS 63 HA HIS 63 -9.935 -5.628 -7.574 459 HB2 HIS 63 1HB HIS 63 -11.998 -3.731 -6.456 460 HB3 HIS 63 2HB HIS 63 -10.373 -3.214 -6.896 461 HD1 HIS 63 1HD HIS 63 -10.435 -2.090 -9.085 462 HD2 HIS 63 2HD HIS 63 -13.072 -5.297 -8.935 463 HE1 HIS 63 1HE HIS 63 -11.488 -2.201 -11.366 464 HE2 HIS 63 2HE HIS 63 -13.142 -4.096 -11.225 465 H GLN 64 H GLN 64 -11.579 -5.786 -4.492 466 HA GLN 64 HA GLN 64 -9.636 -4.661 -2.840 467 HB2 GLN 64 1HB GLN 64 -11.812 -6.666 -2.443 468 HB3 GLN 64 2HB GLN 64 -10.633 -6.440 -1.159 469 HG2 GLN 64 1HG GLN 64 -11.171 -4.027 -1.146 470 HG3 GLN 64 2HG GLN 64 -12.426 -4.336 -2.345 471 HE21 GLN 64 2HE2 GLN 64 -14.711 -4.755 0.207 472 HE22 GLN 64 1HE2 GLN 64 -14.253 -3.977 -1.266 473 H GLU 65 H GLU 65 -9.860 -7.859 -4.260 474 HA GLU 65 HA GLU 65 -7.704 -8.958 -2.717 475 HB2 GLU 65 1HB GLU 65 -9.280 -10.534 -3.490 476 HB3 GLU 65 2HB GLU 65 -9.239 -9.897 -5.127 477 HG2 GLU 65 1HG GLU 65 -8.086 -12.114 -4.723 478 HG3 GLU 65 2HG GLU 65 -7.169 -10.880 -5.584 479 H LEU 66 H LEU 66 -8.057 -7.445 -5.866 480 HA LEU 66 HA LEU 66 -5.560 -8.103 -6.950 481 HB2 LEU 66 1HB LEU 66 -7.467 -5.835 -7.378 482 HB3 LEU 66 2HB LEU 66 -5.909 -5.864 -8.201 483 HG LEU 66 HG LEU 66 -7.818 -8.167 -8.424 484 HD11 LEU 66 1HD1 LEU 66 -9.259 -6.574 -9.215 485 HD12 LEU 66 2HD1 LEU 66 -8.356 -6.945 -10.683 486 HD13 LEU 66 3HD1 LEU 66 -7.961 -5.504 -9.747 487 HD21 LEU 66 3HD2 LEU 66 -5.297 -7.310 -9.647 488 HD22 LEU 66 1HD2 LEU 66 -6.518 -7.859 -10.795 489 HD23 LEU 66 2HD2 LEU 66 -5.996 -8.923 -9.489 490 H ILE 67 H ILE 67 -6.524 -5.606 -4.688 491 HA ILE 67 HA ILE 67 -3.883 -4.382 -4.742 492 HB ILE 67 HB ILE 67 -6.284 -3.696 -3.042 493 HG12 ILE 67 1HG1 ILE 67 -5.251 -2.125 -5.392 494 HG13 ILE 67 2HG1 ILE 67 -6.422 -3.422 -5.607 495 HG21 ILE 67 1HG2 ILE 67 -3.897 -3.066 -2.279 496 HG22 ILE 67 2HG2 ILE 67 -3.962 -1.891 -3.591 497 HG23 ILE 67 3HG2 ILE 67 -5.146 -1.821 -2.286 498 HD11 ILE 67 3HD1 ILE 67 -6.762 -0.878 -4.049 499 HD12 ILE 67 1HD1 ILE 67 -7.622 -1.385 -5.502 500 HD13 ILE 67 2HD1 ILE 67 -7.897 -2.226 -3.976 501 H LEU 68 H LEU 68 -6.025 -5.671 -2.192 502 HA LEU 68 HA LEU 68 -4.405 -5.742 -0.052 503 HB2 LEU 68 1HB LEU 68 -6.346 -7.789 -1.056 504 HB3 LEU 68 2HB LEU 68 -5.463 -8.049 0.447 505 HG LEU 68 HG LEU 68 -7.145 -5.600 -0.009 506 HD11 LEU 68 1HD1 LEU 68 -9.038 -6.717 0.290 507 HD12 LEU 68 2HD1 LEU 68 -8.380 -7.572 1.685 508 HD13 LEU 68 3HD1 LEU 68 -8.127 -8.210 0.061 509 HD21 LEU 68 3HD2 LEU 68 -7.246 -5.843 2.544 510 HD22 LEU 68 1HD2 LEU 68 -5.740 -5.276 1.824 511 HD23 LEU 68 2HD2 LEU 68 -5.887 -6.951 2.354 512 H GLY 69 H GLY 69 -4.343 -8.134 -2.679 513 HA2 GLY 69 1HA GLY 69 -2.421 -9.860 -1.666 514 HA3 GLY 69 2HA GLY 69 -2.683 -9.557 -3.377 515 H GLY 70 H GLY 70 -1.883 -7.015 -3.750 516 HA2 GLY 70 1HA GLY 70 0.909 -7.218 -3.856 517 HA3 GLY 70 2HA GLY 70 -0.008 -5.740 -4.099 518 H VAL 71 H VAL 71 -1.189 -5.670 -1.484 519 HA VAL 71 HA VAL 71 0.797 -4.240 -0.098 520 HB VAL 71 HB VAL 71 -1.792 -5.386 0.959 521 HG11 VAL 71 1HG1 VAL 71 -1.590 -3.708 2.728 522 HG12 VAL 71 2HG1 VAL 71 -0.240 -4.844 2.762 523 HG13 VAL 71 3HG1 VAL 71 -0.017 -3.227 2.094 524 HG21 VAL 71 3HG2 VAL 71 -1.118 -3.021 -0.658 525 HG22 VAL 71 1HG2 VAL 71 -2.634 -3.913 -0.524 526 HG23 VAL 71 2HG2 VAL 71 -2.198 -2.724 0.704 527 H GLU 72 H GLU 72 -0.459 -7.524 0.315 528 HA GLU 72 HA GLU 72 0.783 -8.222 2.686 529 HB2 GLU 72 1HB GLU 72 0.080 -9.834 0.244 530 HB3 GLU 72 2HB GLU 72 0.823 -10.579 1.653 531 HG2 GLU 72 1HG GLU 72 -1.686 -8.953 1.863 532 HG3 GLU 72 2HG GLU 72 -1.713 -10.669 1.461 533 H GLN 73 H GLN 73 2.065 -8.448 -0.619 534 HA GLN 73 HA GLN 73 4.551 -9.569 0.082 535 HB2 GLN 73 1HB GLN 73 3.651 -7.961 -2.303 536 HB3 GLN 73 2HB GLN 73 5.282 -8.603 -2.161 537 HG2 GLN 73 1HG GLN 73 2.889 -10.383 -1.907 538 HG3 GLN 73 2HG GLN 73 3.545 -9.944 -3.483 539 HE21 GLN 73 2HE2 GLN 73 6.101 -12.254 -3.372 540 HE22 GLN 73 1HE2 GLN 73 5.167 -11.106 -4.264 541 H LEU 74 H LEU 74 3.421 -6.248 -0.116 542 HA LEU 74 HA LEU 74 5.910 -4.958 0.051 543 HB2 LEU 74 1HB LEU 74 3.088 -4.216 0.577 544 HB3 LEU 74 2HB LEU 74 4.338 -3.176 1.256 545 HG LEU 74 HG LEU 74 3.949 -3.824 -1.666 546 HD11 LEU 74 1HD1 LEU 74 2.989 -1.691 0.097 547 HD12 LEU 74 2HD1 LEU 74 2.385 -2.233 -1.469 548 HD13 LEU 74 3HD1 LEU 74 3.756 -1.126 -1.388 549 HD21 LEU 74 3HD2 LEU 74 5.682 -1.613 -1.168 550 HD22 LEU 74 1HD2 LEU 74 6.018 -3.115 -2.029 551 HD23 LEU 74 2HD2 LEU 74 6.278 -3.021 -0.286 552 H GLN 75 H GLN 75 3.582 -5.807 2.608 553 HA GLN 75 HA GLN 75 4.879 -4.807 4.807 554 HB2 GLN 75 1HB GLN 75 3.139 -7.204 4.390 555 HB3 GLN 75 2HB GLN 75 3.901 -6.960 5.957 556 HG2 GLN 75 1HG GLN 75 2.868 -4.708 6.050 557 HG3 GLN 75 2HG GLN 75 2.016 -5.083 4.553 558 HE21 GLN 75 2HE2 GLN 75 -0.080 -7.553 6.109 559 HE22 GLN 75 1HE2 GLN 75 0.868 -7.305 4.686 560 H ALA 76 H ALA 76 5.896 -7.355 2.758 561 HA ALA 76 HA ALA 76 7.633 -8.634 4.662 562 HB1 ALA 76 3HB ALA 76 7.510 -10.256 3.155 563 HB2 ALA 76 1HB ALA 76 6.681 -9.180 2.030 564 HB3 ALA 76 2HB ALA 76 8.443 -9.267 2.032 565 H LEU 77 H LEU 77 7.958 -6.225 2.112 566 HA LEU 77 HA LEU 77 10.834 -6.041 2.557 567 HB2 LEU 77 1HB LEU 77 10.733 -4.370 0.707 568 HB3 LEU 77 2HB LEU 77 10.200 -5.993 0.273 569 HG LEU 77 HG LEU 77 7.837 -5.181 0.544 570 HD11 LEU 77 1HD1 LEU 77 8.160 -2.459 0.085 571 HD12 LEU 77 2HD1 LEU 77 9.247 -2.823 1.425 572 HD13 LEU 77 3HD1 LEU 77 7.534 -3.223 1.546 573 HD21 LEU 77 3HD2 LEU 77 8.945 -3.433 -1.535 574 HD22 LEU 77 1HD2 LEU 77 7.775 -4.748 -1.657 575 HD23 LEU 77 2HD2 LEU 77 9.501 -5.106 -1.601 576 H SER 78 H SER 78 7.946 -4.563 3.586 577 HA SER 78 HA SER 78 8.904 -1.936 4.067 578 HB2 SER 78 1HB SER 78 6.843 -1.522 5.008 579 HB3 SER 78 2HB SER 78 6.450 -2.955 4.058 580 HG SER 78 HG SER 78 6.978 -2.783 6.833 581 H SER 79 H SER 79 8.364 -4.681 6.278 582 HA SER 79 HA SER 79 9.957 -3.351 8.325 583 HB2 SER 79 1HB SER 79 7.779 -4.522 8.853 584 HB3 SER 79 2HB SER 79 8.596 -6.045 8.504 585 HG SER 79 HG SER 79 8.724 -5.646 10.702 586 H ARG 80 H ARG 80 9.955 -6.401 6.502 587 HA ARG 80 HA ARG 80 11.600 -7.900 6.028 588 HB2 ARG 80 1HB ARG 80 13.194 -5.360 6.302 589 HB3 ARG 80 2HB ARG 80 13.951 -6.889 5.877 590 HG2 ARG 80 1HG ARG 80 12.498 -7.049 3.908 591 HG3 ARG 80 2HG ARG 80 11.776 -5.495 4.330 592 HD2 ARG 80 1HD ARG 80 13.431 -5.100 2.657 593 HD3 ARG 80 2HD ARG 80 14.055 -4.485 4.187 594 HE ARG 80 HE ARG 80 15.780 -5.953 3.984 595 HH11 ARG 80 2HH1 ARG 80 13.102 -7.145 2.107 596 HH12 ARG 80 1HH1 ARG 80 13.979 -8.498 1.473 597 HH21 ARG 80 1HH2 ARG 80 16.165 -8.831 2.072 598 HH22 ARG 80 2HH2 ARG 80 16.946 -7.731 3.157 599 H LEU 81 H LEU 81 10.762 -7.533 8.811 600 HA LEU 81 HA LEU 81 13.187 -8.552 10.141 601 HB2 LEU 81 1HB LEU 81 11.098 -6.646 11.076 602 HB3 LEU 81 2HB LEU 81 11.853 -7.720 12.253 603 HG LEU 81 HG LEU 81 13.564 -6.032 10.475 604 HD11 LEU 81 1HD1 LEU 81 11.935 -5.115 12.810 605 HD12 LEU 81 2HD1 LEU 81 12.213 -4.321 11.260 606 HD13 LEU 81 3HD1 LEU 81 13.503 -4.384 12.462 607 HD21 LEU 81 3HD2 LEU 81 13.806 -7.484 13.060 608 HD22 LEU 81 1HD2 LEU 81 14.792 -6.043 12.807 609 HD23 LEU 81 2HD2 LEU 81 14.922 -7.407 11.696 610 H GLN 82 H GLN 82 11.747 -10.372 8.839 611 HA GLN 82 HA GLN 82 10.850 -12.099 10.925 612 HB2 GLN 82 1HB GLN 82 8.870 -10.482 10.244 613 HB3 GLN 82 2HB GLN 82 8.710 -11.608 8.902 614 HG2 GLN 82 1HG GLN 82 7.278 -12.043 10.939 615 HG3 GLN 82 2HG GLN 82 8.212 -13.403 10.318 616 HE21 GLN 82 2HE2 GLN 82 9.218 -11.696 13.897 617 HE22 GLN 82 1HE2 GLN 82 8.351 -10.796 12.705 618 H THR 83 H THR 83 10.206 -14.243 10.084 619 HA THR 83 HA THR 83 12.015 -15.320 8.340 620 HB THR 83 HB THR 83 10.455 -17.234 8.053 621 HG1 THR 83 1HG THR 83 8.403 -17.116 8.886 622 HG21 THR 83 3HG2 THR 83 11.730 -17.477 9.969 623 HG22 THR 83 1HG2 THR 83 10.093 -17.558 10.619 624 HG23 THR 83 2HG2 THR 83 11.020 -16.063 10.747 625 H GLU 84 H GLU 84 12.415 -14.736 6.309 626 HA GLU 84 HA GLU 84 10.355 -13.682 4.594 627 HB2 GLU 84 1HB GLU 84 12.104 -13.297 3.000 628 HB3 GLU 84 2HB GLU 84 12.711 -12.850 4.588 629 HG2 GLU 84 1HG GLU 84 14.449 -14.008 3.493 630 HG3 GLU 84 2HG GLU 84 13.793 -15.108 4.704 631 H ASN 85 H ASN 85 9.928 -14.537 2.434 632 HA ASN 85 HA ASN 85 10.406 -17.403 2.106 633 HB2 ASN 85 1HB ASN 85 7.905 -17.541 1.383 634 HB3 ASN 85 2HB ASN 85 8.309 -17.600 3.096 635 HD21 ASN 85 2HD2 ASN 85 6.790 -14.563 3.905 636 HD22 ASN 85 1HD2 ASN 85 7.896 -15.797 4.394 637 H SER 86 H SER 86 9.335 -18.089 -0.100 638 HA SER 86 HA SER 86 9.493 -15.968 -2.093 639 HB2 SER 86 1HB SER 86 11.401 -18.285 -1.908 640 HB3 SER 86 2HB SER 86 11.023 -17.556 -3.468 641 HG SER 86 HG SER 86 11.815 -15.602 -2.716 642 H GLY 87 H GLY 87 8.293 -16.357 -3.914 643 HA2 GLY 87 1HA GLY 87 7.454 -18.356 -5.320 644 HA3 GLY 87 2HA GLY 87 6.640 -18.790 -3.824 645 HA PRO 88 HA PRO 88 4.620 -14.674 -5.411 646 HB2 PRO 88 2HB PRO 88 6.136 -13.423 -6.600 647 HB3 PRO 88 1HB PRO 88 5.189 -13.996 -7.978 648 HG2 PRO 88 1HG PRO 88 6.710 -15.673 -8.490 649 HG3 PRO 88 2HG PRO 88 7.813 -14.440 -7.851 650 HD2 PRO 88 1HD PRO 88 7.705 -16.955 -6.854 651 HD3 PRO 88 2HD PRO 88 8.088 -15.544 -5.847 652 H SER 89 H SER 89 5.060 -17.572 -7.211 653 HA SER 89 HA SER 89 3.073 -17.479 -9.121 654 HB2 SER 89 1HB SER 89 3.217 -19.808 -9.229 655 HB3 SER 89 2HB SER 89 4.774 -19.364 -8.530 656 HG SER 89 HG SER 89 3.679 -21.096 -7.423 657 H SER 90 H SER 90 0.958 -18.680 -9.068 658 HA SER 90 HA SER 90 -0.430 -18.872 -6.567 659 HB2 SER 90 1HB SER 90 -2.148 -17.141 -7.138 660 HB3 SER 90 2HB SER 90 -0.556 -16.468 -6.787 661 HG SER 90 HG SER 90 -1.473 -17.028 -9.410 662 H GLY 91 H GLY 91 -2.395 -19.959 -6.741 663 HA2 GLY 91 1HA GLY 91 -4.207 -20.479 -8.496 664 HA3 GLY 91 2HA GLY 91 -2.857 -21.166 -9.387 Start of MODEL 20 1 H1 GLY 1 H GLY 1 26.072 7.741 0.427 2 HA2 GLY 1 1HA GLY 1 26.787 10.238 1.409 3 HA3 GLY 1 2HA GLY 1 25.584 9.596 2.518 4 H SER 2 H SER 2 26.475 8.705 4.243 5 HA SER 2 HA SER 2 29.036 7.282 3.920 6 HB2 SER 2 1HB SER 2 29.466 9.146 5.315 7 HB3 SER 2 2HB SER 2 27.964 8.925 6.212 8 HG SER 2 HG SER 2 29.799 6.828 6.239 9 H SER 3 H SER 3 28.629 5.168 3.855 10 HA SER 3 HA SER 3 27.755 3.114 4.320 11 HB2 SER 3 1HB SER 3 28.144 4.421 6.974 12 HB3 SER 3 2HB SER 3 27.269 2.891 6.928 13 HG SER 3 HG SER 3 29.442 2.701 5.387 14 H GLY 4 H GLY 4 25.866 5.001 3.391 15 HA2 GLY 4 1HA GLY 4 23.485 4.800 5.012 16 HA3 GLY 4 2HA GLY 4 23.603 5.516 3.412 17 H SER 5 H SER 5 21.456 3.920 4.172 18 HA SER 5 HA SER 5 21.887 1.256 3.124 19 HB2 SER 5 1HB SER 5 19.479 0.935 3.603 20 HB3 SER 5 2HB SER 5 20.354 1.549 5.005 21 HG SER 5 HG SER 5 18.376 2.733 3.495 22 H SER 6 H SER 6 21.886 0.843 1.027 23 HA SER 6 HA SER 6 20.760 2.730 -0.856 24 HB2 SER 6 1HB SER 6 21.760 1.291 -2.573 25 HB3 SER 6 2HB SER 6 22.937 1.665 -1.314 26 HG SER 6 HG SER 6 22.973 -0.371 -0.728 27 H GLY 7 H GLY 7 18.778 1.630 0.743 28 HA2 GLY 7 1HA GLY 7 17.385 -0.174 -1.140 29 HA3 GLY 7 2HA GLY 7 17.158 -0.227 0.602 30 H MET 8 H MET 8 14.862 -0.077 -0.278 31 HA MET 8 HA MET 8 14.105 2.708 -0.816 32 HB2 MET 8 1HB MET 8 12.014 1.858 -1.649 33 HB3 MET 8 2HB MET 8 13.320 0.944 -2.392 34 HG2 MET 8 1HG MET 8 12.818 -0.976 -1.242 35 HG3 MET 8 2HG MET 8 12.039 -0.108 0.079 36 HE1 MET 8 3HE MET 8 10.069 -1.007 0.514 37 HE2 MET 8 1HE MET 8 9.188 0.429 -0.010 38 HE3 MET 8 2HE MET 8 8.648 -1.171 -0.518 39 H GLU 9 H GLU 9 12.564 3.770 0.429 40 HA GLU 9 HA GLU 9 12.566 3.208 3.183 41 HB2 GLU 9 1HB GLU 9 11.396 5.166 3.438 42 HB3 GLU 9 2HB GLU 9 12.068 5.420 1.833 43 HG2 GLU 9 1HG GLU 9 9.959 4.646 0.844 44 HG3 GLU 9 2HG GLU 9 9.288 4.453 2.463 45 HA PRO 10 HA PRO 10 9.295 0.339 3.759 46 HB2 PRO 10 2HB PRO 10 9.897 0.287 5.976 47 HB3 PRO 10 1HB PRO 10 8.348 1.114 6.183 48 HG2 PRO 10 1HG PRO 10 9.340 3.207 6.331 49 HG3 PRO 10 2HG PRO 10 10.607 2.212 7.072 50 HD2 PRO 10 1HD PRO 10 11.079 3.831 4.953 51 HD3 PRO 10 2HD PRO 10 11.949 2.303 5.200 52 H VAL 11 H VAL 11 7.129 0.107 3.398 53 HA VAL 11 HA VAL 11 5.687 2.292 2.329 54 HB VAL 11 HB VAL 11 4.600 -0.388 3.203 55 HG11 VAL 11 1HG1 VAL 11 2.907 1.374 2.810 56 HG12 VAL 11 2HG1 VAL 11 3.528 1.564 1.170 57 HG13 VAL 11 3HG1 VAL 11 2.794 0.038 1.665 58 HG21 VAL 11 3HG2 VAL 11 6.186 0.460 0.856 59 HG22 VAL 11 1HG2 VAL 11 6.085 -1.110 1.653 60 HG23 VAL 11 2HG2 VAL 11 4.815 -0.603 0.540 61 H GLU 12 H GLU 12 5.788 0.811 5.493 62 HA GLU 12 HA GLU 12 3.404 1.867 6.542 63 HB2 GLU 12 1HB GLU 12 4.099 1.044 8.567 64 HB3 GLU 12 2HB GLU 12 5.125 0.106 7.492 65 HG2 GLU 12 1HG GLU 12 6.922 1.790 7.846 66 HG3 GLU 12 2HG GLU 12 5.892 2.559 9.053 67 H THR 13 H THR 13 6.209 3.428 5.554 68 HA THR 13 HA THR 13 5.688 5.741 7.300 69 HB THR 13 HB THR 13 7.935 6.531 6.724 70 HG1 THR 13 1HG THR 13 7.717 4.905 4.695 71 HG21 THR 13 3HG2 THR 13 7.917 3.659 7.661 72 HG22 THR 13 1HG2 THR 13 7.667 5.077 8.678 73 HG23 THR 13 2HG2 THR 13 9.228 4.813 7.900 74 H TRP 14 H TRP 14 5.483 4.586 4.093 75 HA TRP 14 HA TRP 14 5.831 6.821 2.523 76 HB2 TRP 14 1HB TRP 14 3.815 4.585 2.275 77 HB3 TRP 14 2HB TRP 14 4.069 5.799 1.024 78 HD1 TRP 14 HD TRP 14 7.296 4.914 2.612 79 HE1 TRP 14 1HE TRP 14 8.625 3.304 1.107 80 HE3 TRP 14 3HE TRP 14 3.599 3.644 -0.682 81 HZ2 TRP 14 2HZ TRP 14 8.167 1.707 -1.175 82 HZ3 TRP 14 3HZ TRP 14 4.127 2.069 -2.498 83 HH2 TRP 14 HH TRP 14 6.365 1.122 -2.737 84 H THR 15 H THR 15 4.411 8.418 1.699 85 HA THR 15 HA THR 15 2.535 9.391 3.681 86 HB THR 15 HB THR 15 2.309 11.300 1.931 87 HG1 THR 15 1HG THR 15 3.600 9.762 0.421 88 HG21 THR 15 3HG2 THR 15 3.519 12.221 3.567 89 HG22 THR 15 1HG2 THR 15 4.958 11.753 2.663 90 HG23 THR 15 2HG2 THR 15 4.322 10.692 3.921 91 HA PRO 16 HA PRO 16 -1.204 8.139 1.751 92 HB2 PRO 16 2HB PRO 16 -2.313 9.136 3.500 93 HB3 PRO 16 1HB PRO 16 -2.817 10.268 2.239 94 HG2 PRO 16 1HG PRO 16 -1.212 11.838 2.828 95 HG3 PRO 16 2HG PRO 16 -1.553 11.133 4.419 96 HD2 PRO 16 1HD PRO 16 0.943 11.230 3.374 97 HD3 PRO 16 2HD PRO 16 0.404 9.916 4.439 98 H GLY 17 H GLY 17 0.733 10.439 0.423 99 HA2 GLY 17 1HA GLY 17 -1.167 11.110 -1.727 100 HA3 GLY 17 2HA GLY 17 0.308 11.995 -1.366 101 H LYS 18 H LYS 18 1.519 9.139 -1.027 102 HA LYS 18 HA LYS 18 2.367 8.955 -3.809 103 HB2 LYS 18 1HB LYS 18 3.395 7.518 -1.355 104 HB3 LYS 18 2HB LYS 18 4.120 7.460 -2.956 105 HG2 LYS 18 1HG LYS 18 4.882 9.647 -2.831 106 HG3 LYS 18 2HG LYS 18 3.746 10.072 -1.548 107 HD2 LYS 18 1HD LYS 18 5.749 9.897 -0.398 108 HD3 LYS 18 2HD LYS 18 5.041 8.298 -0.163 109 HE2 LYS 18 1HE LYS 18 6.827 8.768 -2.505 110 HE3 LYS 18 2HE LYS 18 7.546 8.572 -0.907 111 HZ1 LYS 18 3HZ LYS 18 6.709 6.420 -0.718 112 HZ2 LYS 18 1HZ LYS 18 7.244 6.501 -2.321 113 HZ3 LYS 18 2HZ LYS 18 5.593 6.626 -1.973 114 H VAL 19 H VAL 19 0.832 6.980 -1.313 115 HA VAL 19 HA VAL 19 0.731 4.505 -2.397 116 HB VAL 19 HB VAL 19 -1.574 5.973 -1.110 117 HG11 VAL 19 1HG1 VAL 19 -1.247 2.990 -1.316 118 HG12 VAL 19 2HG1 VAL 19 -2.659 3.902 -0.779 119 HG13 VAL 19 3HG1 VAL 19 -2.185 3.928 -2.478 120 HG21 VAL 19 3HG2 VAL 19 0.880 4.822 -0.107 121 HG22 VAL 19 1HG2 VAL 19 -0.319 5.815 0.722 122 HG23 VAL 19 2HG2 VAL 19 -0.533 4.067 0.630 123 H ALA 20 H ALA 20 -1.007 7.330 -3.522 124 HA ALA 20 HA ALA 20 -2.888 6.146 -5.192 125 HB1 ALA 20 3HB ALA 20 -1.687 8.781 -4.896 126 HB2 ALA 20 1HB ALA 20 -2.160 8.419 -6.557 127 HB3 ALA 20 2HB ALA 20 -3.352 8.328 -5.259 128 H THR 21 H THR 21 0.485 7.013 -5.852 129 HA THR 21 HA THR 21 0.439 6.244 -8.585 130 HB THR 21 HB THR 21 2.856 6.379 -6.774 131 HG1 THR 21 1HG THR 21 2.586 8.471 -6.803 132 HG21 THR 21 3HG2 THR 21 3.431 5.329 -8.829 133 HG22 THR 21 1HG2 THR 21 3.970 7.003 -8.955 134 HG23 THR 21 2HG2 THR 21 2.489 6.490 -9.764 135 H TRP 22 H TRP 22 1.181 4.558 -5.591 136 HA TRP 22 HA TRP 22 2.197 2.211 -6.888 137 HB2 TRP 22 1HB TRP 22 2.870 2.869 -4.594 138 HB3 TRP 22 2HB TRP 22 1.226 2.557 -4.043 139 HD1 TRP 22 HD TRP 22 4.369 0.724 -5.262 140 HE1 TRP 22 1HE TRP 22 4.200 -1.745 -4.553 141 HE3 TRP 22 3HE TRP 22 -0.409 0.727 -3.446 142 HZ2 TRP 22 2HZ TRP 22 2.293 -3.464 -3.380 143 HZ3 TRP 22 3HZ TRP 22 -1.331 -1.371 -2.549 144 HH2 TRP 22 HH TRP 22 -0.007 -3.422 -2.518 145 H LEU 23 H LEU 23 -0.918 3.411 -6.072 146 HA LEU 23 HA LEU 23 -2.203 0.817 -6.126 147 HB2 LEU 23 1HB LEU 23 -3.088 3.632 -5.712 148 HB3 LEU 23 2HB LEU 23 -4.283 2.428 -6.191 149 HG LEU 23 HG LEU 23 -2.536 2.196 -3.744 150 HD11 LEU 23 1HD1 LEU 23 -5.425 2.722 -3.482 151 HD12 LEU 23 2HD1 LEU 23 -4.433 4.078 -4.018 152 HD13 LEU 23 3HD1 LEU 23 -4.072 3.271 -2.492 153 HD21 LEU 23 3HD2 LEU 23 -4.685 0.546 -4.976 154 HD22 LEU 23 1HD2 LEU 23 -4.581 0.622 -3.217 155 HD23 LEU 23 2HD2 LEU 23 -3.204 0.047 -4.157 156 H ARG 24 H ARG 24 -2.056 3.707 -8.179 157 HA ARG 24 HA ARG 24 -3.782 2.773 -10.195 158 HB2 ARG 24 1HB ARG 24 -2.928 4.561 -11.550 159 HB3 ARG 24 2HB ARG 24 -3.050 5.143 -9.895 160 HG2 ARG 24 1HG ARG 24 -0.994 5.945 -10.415 161 HG3 ARG 24 2HG ARG 24 -0.527 4.351 -9.817 162 HD2 ARG 24 1HD ARG 24 -0.876 3.663 -12.327 163 HD3 ARG 24 2HD ARG 24 -0.621 5.385 -12.612 164 HE ARG 24 HE ARG 24 1.416 4.424 -10.937 165 HH11 ARG 24 2HH1 ARG 24 0.306 4.162 -14.226 166 HH12 ARG 24 1HH1 ARG 24 1.884 3.848 -14.871 167 HH21 ARG 24 1HH2 ARG 24 3.698 3.762 -13.474 168 HH22 ARG 24 2HH2 ARG 24 3.497 4.012 -11.773 169 H GLY 25 H GLY 25 -0.432 2.145 -9.510 170 HA2 GLY 25 1HA GLY 25 0.213 1.115 -12.111 171 HA3 GLY 25 2HA GLY 25 1.185 0.957 -10.656 172 H LEU 26 H LEU 26 -0.728 -0.320 -9.017 173 HA LEU 26 HA LEU 26 -0.250 -2.952 -9.340 174 HB2 LEU 26 1HB LEU 26 -2.510 -1.452 -8.143 175 HB3 LEU 26 2HB LEU 26 -2.717 -3.189 -8.358 176 HG LEU 26 HG LEU 26 -0.330 -2.079 -6.918 177 HD11 LEU 26 1HD1 LEU 26 -2.413 -1.164 -5.903 178 HD12 LEU 26 2HD1 LEU 26 -1.489 -2.219 -4.834 179 HD13 LEU 26 3HD1 LEU 26 -2.946 -2.822 -5.624 180 HD21 LEU 26 3HD2 LEU 26 0.006 -4.327 -7.324 181 HD22 LEU 26 1HD2 LEU 26 -1.706 -4.720 -7.166 182 HD23 LEU 26 2HD2 LEU 26 -0.749 -4.354 -5.730 183 H ASP 27 H ASP 27 -2.935 -1.183 -10.835 184 HA ASP 27 HA ASP 27 -2.955 -2.830 -13.132 185 HB2 ASP 27 1HB ASP 27 -4.107 -4.205 -11.184 186 HB3 ASP 27 2HB ASP 27 -5.492 -3.199 -11.600 187 H ASP 28 H ASP 28 -4.750 -2.271 -14.617 188 HA ASP 28 HA ASP 28 -5.251 0.562 -14.503 189 HB2 ASP 28 1HB ASP 28 -6.188 0.294 -16.730 190 HB3 ASP 28 2HB ASP 28 -4.662 -0.580 -16.620 191 H SER 29 H SER 29 -6.973 -2.324 -13.737 192 HA SER 29 HA SER 29 -9.618 -1.390 -14.014 193 HB2 SER 29 1HB SER 29 -8.380 -3.550 -12.309 194 HB3 SER 29 2HB SER 29 -10.112 -3.215 -12.284 195 HG SER 29 HG SER 29 -9.589 -4.849 -13.791 196 H LEU 30 H LEU 30 -7.173 -0.642 -11.755 197 HA LEU 30 HA LEU 30 -9.117 0.413 -9.825 198 HB2 LEU 30 1HB LEU 30 -6.133 0.252 -9.489 199 HB3 LEU 30 2HB LEU 30 -7.351 0.505 -8.240 200 HG LEU 30 HG LEU 30 -7.102 -2.056 -9.806 201 HD11 LEU 30 1HD1 LEU 30 -5.215 -2.428 -8.684 202 HD12 LEU 30 2HD1 LEU 30 -6.225 -2.558 -7.244 203 HD13 LEU 30 3HD1 LEU 30 -5.456 -1.022 -7.646 204 HD21 LEU 30 3HD2 LEU 30 -8.211 -2.710 -7.458 205 HD22 LEU 30 1HD2 LEU 30 -9.154 -2.233 -8.871 206 HD23 LEU 30 2HD2 LEU 30 -8.803 -1.055 -7.606 207 H GLN 31 H GLN 31 -6.764 1.345 -12.181 208 HA GLN 31 HA GLN 31 -5.977 3.851 -11.451 209 HB2 GLN 31 1HB GLN 31 -6.665 2.651 -14.103 210 HB3 GLN 31 2HB GLN 31 -6.285 4.365 -14.012 211 HG2 GLN 31 1HG GLN 31 -4.119 3.848 -13.033 212 HG3 GLN 31 2HG GLN 31 -4.499 2.127 -13.085 213 HE21 GLN 31 2HE2 GLN 31 -2.669 3.724 -16.148 214 HE22 GLN 31 1HE2 GLN 31 -2.682 4.312 -14.524 215 H ASP 32 H ASP 32 -9.171 2.809 -12.167 216 HA ASP 32 HA ASP 32 -10.265 5.368 -12.814 217 HB2 ASP 32 1HB ASP 32 -11.469 2.721 -12.036 218 HB3 ASP 32 2HB ASP 32 -12.467 4.157 -12.247 219 H TYR 33 H TYR 33 -10.285 3.355 -9.882 220 HA TYR 33 HA TYR 33 -11.795 4.931 -8.216 221 HB2 TYR 33 1HB TYR 33 -9.431 3.153 -7.684 222 HB3 TYR 33 2HB TYR 33 -10.216 4.025 -6.372 223 HD1 TYR 33 2HD TYR 33 -12.801 3.703 -6.184 224 HD2 TYR 33 1HD TYR 33 -10.220 1.058 -8.291 225 HE1 TYR 33 2HE TYR 33 -14.489 1.923 -6.005 226 HE2 TYR 33 1HE TYR 33 -11.901 -0.729 -8.119 227 HH TYR 33 HH TYR 33 -14.809 -0.487 -7.726 228 HA PRO 34 HA PRO 34 -9.498 8.704 -7.913 229 HB2 PRO 34 2HB PRO 34 -11.525 9.714 -7.522 230 HB3 PRO 34 1HB PRO 34 -10.913 9.789 -5.866 231 HG2 PRO 34 1HG PRO 34 -12.118 7.920 -5.200 232 HG3 PRO 34 2HG PRO 34 -13.229 8.590 -6.409 233 HD2 PRO 34 1HD PRO 34 -12.300 6.050 -6.534 234 HD3 PRO 34 2HD PRO 34 -12.672 7.003 -7.985 235 H PHE 35 H PHE 35 -7.593 7.499 -7.144 236 HA PHE 35 HA PHE 35 -7.161 6.804 -4.467 237 HB2 PHE 35 1HB PHE 35 -5.063 7.742 -6.432 238 HB3 PHE 35 2HB PHE 35 -4.810 6.719 -5.021 239 HD1 PHE 35 2HD PHE 35 -6.650 4.633 -5.103 240 HD2 PHE 35 1HD PHE 35 -4.827 6.611 -8.401 241 HE1 PHE 35 2HE PHE 35 -6.998 2.632 -6.491 242 HE2 PHE 35 1HE PHE 35 -5.173 4.613 -9.795 243 HZ PHE 35 HZ PHE 35 -6.259 2.620 -8.840 244 H GLU 36 H GLU 36 -6.491 9.816 -6.210 245 HA GLU 36 HA GLU 36 -5.145 11.196 -4.213 246 HB2 GLU 36 1HB GLU 36 -6.983 12.154 -6.401 247 HB3 GLU 36 2HB GLU 36 -6.145 13.265 -5.327 248 HG2 GLU 36 1HG GLU 36 -3.998 12.337 -6.059 249 HG3 GLU 36 2HG GLU 36 -4.853 11.260 -7.162 250 H ASP 37 H ASP 37 -8.366 10.138 -4.263 251 HA ASP 37 HA ASP 37 -9.271 12.139 -2.338 252 HB2 ASP 37 1HB ASP 37 -10.813 11.539 -4.137 253 HB3 ASP 37 2HB ASP 37 -10.747 9.847 -3.651 254 H TRP 38 H TRP 38 -8.570 8.694 -2.568 255 HA TRP 38 HA TRP 38 -9.545 7.725 -0.207 256 HB2 TRP 38 1HB TRP 38 -6.966 7.097 -1.640 257 HB3 TRP 38 2HB TRP 38 -7.490 6.204 -0.215 258 HD1 TRP 38 HD TRP 38 -10.109 7.280 -2.760 259 HE1 TRP 38 1HE TRP 38 -11.020 5.189 -3.953 260 HE3 TRP 38 3HE TRP 38 -6.823 3.811 -0.941 261 HZ2 TRP 38 2HZ TRP 38 -10.425 2.433 -4.102 262 HZ3 TRP 38 3HZ TRP 38 -7.063 1.470 -1.658 263 HH2 TRP 38 HH TRP 38 -8.828 0.797 -3.205 264 H GLN 39 H GLN 39 -6.645 9.666 -0.688 265 HA GLN 39 HA GLN 39 -5.126 10.540 0.787 266 HB2 GLN 39 1HB GLN 39 -7.771 11.011 2.157 267 HB3 GLN 39 2HB GLN 39 -6.262 11.699 2.742 268 HG2 GLN 39 1HG GLN 39 -5.974 12.937 0.705 269 HG3 GLN 39 2HG GLN 39 -7.382 12.155 -0.012 270 HE21 GLN 39 2HE2 GLN 39 -7.815 15.195 2.667 271 HE22 GLN 39 1HE2 GLN 39 -6.311 14.364 2.492 272 H LEU 40 H LEU 40 -5.403 7.722 1.046 273 HA LEU 40 HA LEU 40 -5.320 7.219 3.921 274 HB2 LEU 40 1HB LEU 40 -6.596 5.641 2.671 275 HB3 LEU 40 2HB LEU 40 -5.282 5.403 1.521 276 HG LEU 40 HG LEU 40 -4.037 4.572 3.726 277 HD11 LEU 40 1HD1 LEU 40 -6.953 4.014 4.247 278 HD12 LEU 40 2HD1 LEU 40 -5.874 4.999 5.234 279 HD13 LEU 40 3HD1 LEU 40 -5.606 3.261 5.102 280 HD21 LEU 40 3HD2 LEU 40 -4.161 3.207 1.804 281 HD22 LEU 40 1HD2 LEU 40 -5.912 3.046 1.938 282 HD23 LEU 40 2HD2 LEU 40 -4.863 2.258 3.116 283 HA PRO 41 HA PRO 41 -0.887 7.615 3.831 284 HB2 PRO 41 2HB PRO 41 -1.083 8.527 5.930 285 HB3 PRO 41 1HB PRO 41 -0.491 6.937 6.430 286 HG2 PRO 41 1HG PRO 41 -2.619 6.170 6.953 287 HG3 PRO 41 2HG PRO 41 -2.801 7.886 7.361 288 HD2 PRO 41 1HD PRO 41 -4.440 6.622 5.616 289 HD3 PRO 41 2HD PRO 41 -4.018 8.339 5.456 290 H GLY 42 H GLY 42 0.957 6.244 4.042 291 HA2 GLY 42 1HA GLY 42 0.572 3.603 3.176 292 HA3 GLY 42 2HA GLY 42 2.085 4.262 3.780 293 H LYS 43 H LYS 43 1.458 4.838 6.389 294 HA LYS 43 HA LYS 43 1.963 2.572 7.777 295 HB2 LYS 43 1HB LYS 43 1.175 3.670 9.764 296 HB3 LYS 43 2HB LYS 43 1.903 4.883 8.719 297 HG2 LYS 43 1HG LYS 43 -0.451 5.376 7.904 298 HG3 LYS 43 2HG LYS 43 -1.007 4.405 9.270 299 HD2 LYS 43 1HD LYS 43 0.462 5.921 10.713 300 HD3 LYS 43 2HD LYS 43 0.535 6.985 9.306 301 HE2 LYS 43 1HE LYS 43 -1.236 7.661 10.852 302 HE3 LYS 43 2HE LYS 43 -1.895 7.158 9.296 303 HZ1 LYS 43 3HZ LYS 43 -1.708 5.282 11.573 304 HZ2 LYS 43 1HZ LYS 43 -2.676 5.169 10.190 305 HZ3 LYS 43 2HZ LYS 43 -3.037 6.311 11.384 306 H ASN 44 H ASN 44 -1.279 3.821 7.030 307 HA ASN 44 HA ASN 44 -2.565 1.522 8.208 308 HB2 ASN 44 1HB ASN 44 -3.565 3.938 6.709 309 HB3 ASN 44 2HB ASN 44 -4.637 2.608 7.140 310 HD21 ASN 44 2HD2 ASN 44 -4.710 5.269 9.748 311 HD22 ASN 44 1HD2 ASN 44 -4.926 5.252 8.034 312 H LEU 45 H LEU 45 -1.299 2.383 5.144 313 HA LEU 45 HA LEU 45 -2.943 0.824 3.465 314 HB2 LEU 45 1HB LEU 45 -1.432 2.559 2.637 315 HB3 LEU 45 2HB LEU 45 -0.045 1.593 3.136 316 HG LEU 45 HG LEU 45 -1.046 -0.179 1.501 317 HD11 LEU 45 1HD1 LEU 45 -2.175 0.860 -0.420 318 HD12 LEU 45 2HD1 LEU 45 -2.266 2.379 0.472 319 HD13 LEU 45 3HD1 LEU 45 -3.135 0.960 1.056 320 HD21 LEU 45 3HD2 LEU 45 0.851 0.368 0.492 321 HD22 LEU 45 1HD2 LEU 45 0.826 1.964 1.242 322 HD23 LEU 45 2HD2 LEU 45 0.019 1.705 -0.305 323 H LEU 46 H LEU 46 -0.283 0.028 5.558 324 HA LEU 46 HA LEU 46 0.085 -2.606 4.412 325 HB2 LEU 46 1HB LEU 46 1.308 -1.123 6.712 326 HB3 LEU 46 2HB LEU 46 1.587 -2.848 6.490 327 HG LEU 46 HG LEU 46 2.335 -0.662 4.549 328 HD11 LEU 46 1HD1 LEU 46 4.118 -0.449 5.863 329 HD12 LEU 46 2HD1 LEU 46 4.597 -2.053 5.308 330 HD13 LEU 46 3HD1 LEU 46 3.690 -1.874 6.810 331 HD21 LEU 46 3HD2 LEU 46 1.782 -2.620 3.305 332 HD22 LEU 46 1HD2 LEU 46 2.663 -3.654 4.429 333 HD23 LEU 46 2HD2 LEU 46 3.541 -2.527 3.396 334 H GLN 47 H GLN 47 -1.746 -1.122 6.932 335 HA GLN 47 HA GLN 47 -2.511 -3.773 7.961 336 HB2 GLN 47 1HB GLN 47 -3.366 -2.453 9.954 337 HB3 GLN 47 2HB GLN 47 -1.619 -2.520 9.758 338 HG2 GLN 47 1HG GLN 47 -1.552 -0.299 8.906 339 HG3 GLN 47 2HG GLN 47 -3.310 -0.225 8.807 340 HE21 GLN 47 2HE2 GLN 47 -2.414 1.644 11.795 341 HE22 GLN 47 1HE2 GLN 47 -2.248 1.783 10.081 342 H LEU 48 H LEU 48 -3.562 -2.490 5.556 343 HA LEU 48 HA LEU 48 -6.111 -1.369 6.065 344 HB2 LEU 48 1HB LEU 48 -4.673 -2.442 3.707 345 HB3 LEU 48 2HB LEU 48 -6.428 -2.333 3.596 346 HG LEU 48 HG LEU 48 -4.597 -0.016 4.215 347 HD11 LEU 48 1HD1 LEU 48 -4.115 -0.500 1.999 348 HD12 LEU 48 2HD1 LEU 48 -5.423 0.675 1.870 349 HD13 LEU 48 3HD1 LEU 48 -5.757 -1.044 1.654 350 HD21 LEU 48 3HD2 LEU 48 -7.370 -0.367 4.582 351 HD22 LEU 48 1HD2 LEU 48 -7.166 0.687 3.182 352 HD23 LEU 48 2HD2 LEU 48 -6.432 1.120 4.726 353 H CYS 49 H CYS 49 -8.190 -2.339 5.541 354 HA CYS 49 HA CYS 49 -8.282 -5.258 5.784 355 HB2 CYS 49 1HB CYS 49 -9.589 -3.264 7.616 356 HB3 CYS 49 2HB CYS 49 -10.280 -4.866 7.386 357 HG CYS 49 HG CYS 49 -7.132 -5.327 7.998 358 HA PRO 50 HA PRO 50 -11.443 -5.068 2.750 359 HB2 PRO 50 2HB PRO 50 -11.429 -7.366 2.749 360 HB3 PRO 50 1HB PRO 50 -13.028 -7.151 3.472 361 HG2 PRO 50 1HG PRO 50 -12.240 -7.502 5.628 362 HG3 PRO 50 2HG PRO 50 -11.146 -8.564 4.722 363 HD2 PRO 50 1HD PRO 50 -10.249 -6.602 6.358 364 HD3 PRO 50 2HD PRO 50 -9.377 -7.096 4.892 365 H GLN 51 H GLN 51 -12.120 -4.501 6.023 366 HA GLN 51 HA GLN 51 -14.955 -3.988 5.612 367 HB2 GLN 51 1HB GLN 51 -13.135 -4.100 7.971 368 HB3 GLN 51 2HB GLN 51 -14.600 -3.137 8.100 369 HG2 GLN 51 1HG GLN 51 -15.222 -5.206 8.937 370 HG3 GLN 51 2HG GLN 51 -15.822 -5.228 7.280 371 HE21 GLN 51 2HE2 GLN 51 -14.130 -8.114 6.481 372 HE22 GLN 51 1HE2 GLN 51 -15.428 -7.011 6.198 373 H SER 52 H SER 52 -11.945 -2.243 6.027 374 HA SER 52 HA SER 52 -13.231 0.328 6.249 375 HB2 SER 52 1HB SER 52 -10.870 -0.489 7.140 376 HB3 SER 52 2HB SER 52 -10.337 0.069 5.554 377 HG SER 52 HG SER 52 -11.340 2.097 6.066 378 H LEU 53 H LEU 53 -11.303 -1.356 3.783 379 HA LEU 53 HA LEU 53 -11.109 0.494 1.814 380 HB2 LEU 53 1HB LEU 53 -11.590 -2.447 1.750 381 HB3 LEU 53 2HB LEU 53 -11.625 -1.544 0.237 382 HG LEU 53 HG LEU 53 -9.265 -1.255 2.040 383 HD11 LEU 53 1HD1 LEU 53 -10.071 -3.707 0.597 384 HD12 LEU 53 2HD1 LEU 53 -9.072 -3.510 2.037 385 HD13 LEU 53 3HD1 LEU 53 -8.388 -3.202 0.440 386 HD21 LEU 53 3HD2 LEU 53 -8.625 -0.032 0.300 387 HD22 LEU 53 1HD2 LEU 53 -10.027 -0.541 -0.641 388 HD23 LEU 53 2HD2 LEU 53 -8.557 -1.515 -0.652 389 H GLU 54 H GLU 54 -13.981 -1.433 2.568 390 HA GLU 54 HA GLU 54 -15.635 -0.807 0.480 391 HB2 GLU 54 1HB GLU 54 -16.474 -0.889 3.382 392 HB3 GLU 54 2HB GLU 54 -17.513 -1.147 1.988 393 HG2 GLU 54 1HG GLU 54 -16.186 -3.145 1.412 394 HG3 GLU 54 2HG GLU 54 -15.239 -2.905 2.879 395 H ALA 55 H ALA 55 -14.905 1.179 3.310 396 HA ALA 55 HA ALA 55 -16.746 3.227 2.915 397 HB1 ALA 55 3HB ALA 55 -14.766 2.729 4.724 398 HB2 ALA 55 1HB ALA 55 -14.131 4.133 3.866 399 HB3 ALA 55 2HB ALA 55 -15.714 4.214 4.641 400 H LEU 56 H LEU 56 -13.649 2.631 1.377 401 HA LEU 56 HA LEU 56 -13.663 5.184 0.008 402 HB2 LEU 56 1HB LEU 56 -11.845 2.827 -0.447 403 HB3 LEU 56 2HB LEU 56 -11.577 4.494 -0.953 404 HG LEU 56 HG LEU 56 -11.654 3.561 1.916 405 HD11 LEU 56 1HD1 LEU 56 -9.119 4.329 1.519 406 HD12 LEU 56 2HD1 LEU 56 -9.486 3.692 -0.083 407 HD13 LEU 56 3HD1 LEU 56 -9.665 2.662 1.337 408 HD21 LEU 56 3HD2 LEU 56 -12.155 5.791 2.060 409 HD22 LEU 56 1HD2 LEU 56 -11.294 6.195 0.575 410 HD23 LEU 56 2HD2 LEU 56 -10.392 5.864 2.054 411 H ALA 57 H ALA 57 -15.793 3.099 -0.411 412 HA ALA 57 HA ALA 57 -17.134 2.473 -2.146 413 HB1 ALA 57 3HB ALA 57 -15.258 3.793 -4.077 414 HB2 ALA 57 1HB ALA 57 -17.006 3.580 -4.195 415 HB3 ALA 57 2HB ALA 57 -16.333 4.738 -3.046 416 H VAL 58 H VAL 58 -14.777 0.927 -1.240 417 HA VAL 58 HA VAL 58 -14.358 -0.699 -3.665 418 HB VAL 58 HB VAL 58 -12.513 -0.505 -1.280 419 HG11 VAL 58 1HG1 VAL 58 -11.574 -2.357 -2.063 420 HG12 VAL 58 2HG1 VAL 58 -12.753 -2.422 -3.375 421 HG13 VAL 58 3HG1 VAL 58 -11.242 -1.536 -3.587 422 HG21 VAL 58 3HG2 VAL 58 -11.032 0.499 -3.228 423 HG22 VAL 58 1HG2 VAL 58 -12.611 0.956 -3.867 424 HG23 VAL 58 2HG2 VAL 58 -12.110 1.515 -2.271 425 H ARG 59 H ARG 59 -16.275 -1.893 -3.215 426 HA ARG 59 HA ARG 59 -16.189 -3.570 -0.807 427 HB2 ARG 59 1HB ARG 59 -18.400 -2.762 -2.674 428 HB3 ARG 59 2HB ARG 59 -18.575 -4.160 -1.622 429 HG2 ARG 59 1HG ARG 59 -18.210 -2.748 0.331 430 HG3 ARG 59 2HG ARG 59 -18.009 -1.344 -0.718 431 HD2 ARG 59 1HD ARG 59 -20.303 -1.670 -1.553 432 HD3 ARG 59 2HD ARG 59 -20.494 -3.030 -0.447 433 HE ARG 59 HE ARG 59 -19.718 -0.739 0.996 434 HH11 ARG 59 2HH1 ARG 59 -22.442 -2.063 -0.721 435 HH12 ARG 59 1HH1 ARG 59 -23.617 -1.206 0.220 436 HH21 ARG 59 1HH2 ARG 59 -22.942 0.192 1.904 437 HH22 ARG 59 2HH2 ARG 59 -21.256 0.395 2.241 438 H SER 60 H SER 60 -16.518 -3.733 -4.326 439 HA SER 60 HA SER 60 -16.918 -6.395 -4.757 440 HB2 SER 60 1HB SER 60 -15.014 -4.604 -6.287 441 HB3 SER 60 2HB SER 60 -15.671 -6.132 -6.874 442 HG SER 60 HG SER 60 -16.875 -4.354 -7.640 443 H LEU 61 H LEU 61 -15.744 -8.256 -4.725 444 HA LEU 61 HA LEU 61 -13.476 -8.364 -3.010 445 HB2 LEU 61 1HB LEU 61 -15.331 -10.137 -3.556 446 HB3 LEU 61 2HB LEU 61 -14.206 -10.615 -4.826 447 HG LEU 61 HG LEU 61 -13.972 -12.017 -2.842 448 HD11 LEU 61 1HD1 LEU 61 -11.592 -11.888 -2.622 449 HD12 LEU 61 2HD1 LEU 61 -11.584 -10.207 -3.152 450 HD13 LEU 61 3HD1 LEU 61 -12.018 -11.486 -4.285 451 HD21 LEU 61 3HD2 LEU 61 -12.839 -9.756 -1.277 452 HD22 LEU 61 1HD2 LEU 61 -13.597 -11.250 -0.724 453 HD23 LEU 61 2HD2 LEU 61 -14.593 -9.934 -1.345 454 H GLY 62 H GLY 62 -13.816 -9.334 -6.434 455 HA2 GLY 62 1HA GLY 62 -11.309 -9.887 -7.178 456 HA3 GLY 62 2HA GLY 62 -12.358 -8.913 -8.198 457 H HIS 63 H HIS 63 -12.501 -6.559 -6.798 458 HA HIS 63 HA HIS 63 -10.066 -5.316 -7.512 459 HB2 HIS 63 1HB HIS 63 -12.490 -4.381 -5.988 460 HB3 HIS 63 2HB HIS 63 -11.093 -3.336 -6.229 461 HD1 HIS 63 1HD HIS 63 -14.084 -3.054 -7.452 462 HD2 HIS 63 2HD HIS 63 -10.628 -4.230 -9.437 463 HE1 HIS 63 1HE HIS 63 -14.504 -2.562 -9.882 464 HE2 HIS 63 2HE HIS 63 -12.433 -3.360 -11.073 465 H GLN 64 H GLN 64 -11.506 -6.051 -4.344 466 HA GLN 64 HA GLN 64 -9.534 -4.965 -2.725 467 HB2 GLN 64 1HB GLN 64 -11.452 -7.242 -2.367 468 HB3 GLN 64 2HB GLN 64 -10.263 -6.887 -1.122 469 HG2 GLN 64 1HG GLN 64 -11.178 -4.770 -0.696 470 HG3 GLN 64 2HG GLN 64 -12.124 -4.791 -2.184 471 HE21 GLN 64 2HE2 GLN 64 -14.791 -5.554 -0.051 472 HE22 GLN 64 1HE2 GLN 64 -13.993 -4.328 -0.970 473 H GLU 65 H GLU 65 -9.782 -8.306 -3.935 474 HA GLU 65 HA GLU 65 -7.476 -9.333 -2.796 475 HB2 GLU 65 1HB GLU 65 -9.113 -10.732 -3.939 476 HB3 GLU 65 2HB GLU 65 -8.699 -9.994 -5.480 477 HG2 GLU 65 1HG GLU 65 -7.713 -12.242 -5.120 478 HG3 GLU 65 2HG GLU 65 -6.533 -10.977 -5.460 479 H LEU 66 H LEU 66 -7.839 -7.826 -6.002 480 HA LEU 66 HA LEU 66 -5.318 -8.030 -6.997 481 HB2 LEU 66 1HB LEU 66 -7.413 -5.935 -7.181 482 HB3 LEU 66 2HB LEU 66 -5.810 -5.547 -7.802 483 HG LEU 66 HG LEU 66 -7.420 -7.931 -8.704 484 HD11 LEU 66 1HD1 LEU 66 -7.176 -5.886 -10.684 485 HD12 LEU 66 2HD1 LEU 66 -7.923 -5.213 -9.236 486 HD13 LEU 66 3HD1 LEU 66 -8.633 -6.625 -10.019 487 HD21 LEU 66 3HD2 LEU 66 -5.845 -8.039 -10.509 488 HD22 LEU 66 1HD2 LEU 66 -4.949 -8.011 -8.990 489 HD23 LEU 66 2HD2 LEU 66 -5.059 -6.552 -9.975 490 H ILE 67 H ILE 67 -6.442 -5.395 -4.875 491 HA ILE 67 HA ILE 67 -3.832 -4.278 -4.578 492 HB ILE 67 HB ILE 67 -6.332 -3.834 -2.943 493 HG12 ILE 67 1HG1 ILE 67 -5.092 -2.187 -5.158 494 HG13 ILE 67 2HG1 ILE 67 -6.526 -3.194 -5.322 495 HG21 ILE 67 1HG2 ILE 67 -3.948 -2.015 -3.055 496 HG22 ILE 67 2HG2 ILE 67 -5.286 -2.011 -1.908 497 HG23 ILE 67 3HG2 ILE 67 -4.084 -3.300 -1.855 498 HD11 ILE 67 3HD1 ILE 67 -7.503 -1.172 -5.005 499 HD12 ILE 67 1HD1 ILE 67 -7.371 -1.693 -3.326 500 HD13 ILE 67 2HD1 ILE 67 -6.190 -0.568 -3.996 501 H LEU 68 H LEU 68 -5.971 -5.725 -2.114 502 HA LEU 68 HA LEU 68 -4.331 -5.984 -0.011 503 HB2 LEU 68 1HB LEU 68 -6.279 -7.981 -1.120 504 HB3 LEU 68 2HB LEU 68 -5.435 -8.253 0.403 505 HG LEU 68 HG LEU 68 -7.342 -5.994 -0.203 506 HD11 LEU 68 1HD1 LEU 68 -8.539 -7.209 1.763 507 HD12 LEU 68 2HD1 LEU 68 -7.586 -8.597 1.238 508 HD13 LEU 68 3HD1 LEU 68 -8.706 -7.822 0.118 509 HD21 LEU 68 3HD2 LEU 68 -5.268 -6.224 1.753 510 HD22 LEU 68 1HD2 LEU 68 -6.839 -6.247 2.555 511 HD23 LEU 68 2HD2 LEU 68 -6.412 -4.906 1.492 512 H GLY 69 H GLY 69 -4.171 -7.924 -2.941 513 HA2 GLY 69 1HA GLY 69 -2.458 -9.948 -2.164 514 HA3 GLY 69 2HA GLY 69 -2.487 -9.246 -3.774 515 H GLY 70 H GLY 70 -1.413 -6.909 -3.725 516 HA2 GLY 70 1HA GLY 70 1.332 -7.341 -3.264 517 HA3 GLY 70 2HA GLY 70 0.591 -5.793 -3.642 518 H VAL 71 H VAL 71 -1.089 -5.546 -1.404 519 HA VAL 71 HA VAL 71 0.511 -4.262 0.426 520 HB VAL 71 HB VAL 71 -2.131 -5.609 1.008 521 HG11 VAL 71 1HG1 VAL 71 -2.195 -3.583 2.661 522 HG12 VAL 71 2HG1 VAL 71 -1.354 -5.069 3.106 523 HG13 VAL 71 3HG1 VAL 71 -0.439 -3.677 2.527 524 HG21 VAL 71 3HG2 VAL 71 -3.032 -4.098 -0.349 525 HG22 VAL 71 1HG2 VAL 71 -2.423 -2.828 0.712 526 HG23 VAL 71 2HG2 VAL 71 -1.453 -3.376 -0.654 527 H GLU 72 H GLU 72 0.006 -7.639 0.060 528 HA GLU 72 HA GLU 72 0.843 -8.323 2.742 529 HB2 GLU 72 1HB GLU 72 0.300 -9.995 0.288 530 HB3 GLU 72 2HB GLU 72 0.808 -10.671 1.829 531 HG2 GLU 72 1HG GLU 72 -1.204 -9.649 2.870 532 HG3 GLU 72 2HG GLU 72 -1.730 -9.161 1.261 533 H GLN 73 H GLN 73 2.224 -8.316 -0.506 534 HA GLN 73 HA GLN 73 4.679 -9.547 0.229 535 HB2 GLN 73 1HB GLN 73 5.285 -9.310 -1.967 536 HB3 GLN 73 2HB GLN 73 3.540 -9.160 -2.128 537 HG2 GLN 73 1HG GLN 73 3.705 -6.762 -2.223 538 HG3 GLN 73 2HG GLN 73 5.438 -6.837 -1.910 539 HE21 GLN 73 2HE2 GLN 73 6.092 -6.794 -5.291 540 HE22 GLN 73 1HE2 GLN 73 6.426 -6.218 -3.697 541 H LEU 74 H LEU 74 3.491 -6.276 0.264 542 HA LEU 74 HA LEU 74 5.999 -4.964 0.435 543 HB2 LEU 74 1HB LEU 74 3.240 -4.128 1.308 544 HB3 LEU 74 2HB LEU 74 4.647 -3.068 1.348 545 HG LEU 74 HG LEU 74 3.554 -4.327 -1.164 546 HD11 LEU 74 1HD1 LEU 74 3.143 -1.573 -1.230 547 HD12 LEU 74 2HD1 LEU 74 2.597 -2.081 0.368 548 HD13 LEU 74 3HD1 LEU 74 1.916 -2.832 -1.075 549 HD21 LEU 74 3HD2 LEU 74 5.987 -3.629 -1.051 550 HD22 LEU 74 1HD2 LEU 74 5.403 -1.973 -0.879 551 HD23 LEU 74 2HD2 LEU 74 5.020 -2.896 -2.332 552 H GLN 75 H GLN 75 3.580 -5.740 2.939 553 HA GLN 75 HA GLN 75 4.767 -4.836 5.188 554 HB2 GLN 75 1HB GLN 75 3.309 -7.427 4.716 555 HB3 GLN 75 2HB GLN 75 3.853 -6.953 6.320 556 HG2 GLN 75 1HG GLN 75 2.545 -4.845 6.056 557 HG3 GLN 75 2HG GLN 75 1.893 -5.507 4.558 558 HE21 GLN 75 2HE2 GLN 75 -0.271 -7.784 6.119 559 HE22 GLN 75 1HE2 GLN 75 0.584 -7.391 4.670 560 H ALA 76 H ALA 76 5.903 -7.425 3.183 561 HA ALA 76 HA ALA 76 7.720 -8.530 5.106 562 HB1 ALA 76 3HB ALA 76 7.722 -10.194 3.641 563 HB2 ALA 76 1HB ALA 76 6.787 -9.214 2.512 564 HB3 ALA 76 2HB ALA 76 8.550 -9.167 2.471 565 H LEU 77 H LEU 77 8.463 -7.029 1.959 566 HA LEU 77 HA LEU 77 11.124 -6.475 2.471 567 HB2 LEU 77 1HB LEU 77 10.853 -4.673 0.723 568 HB3 LEU 77 2HB LEU 77 10.382 -6.305 0.252 569 HG LEU 77 HG LEU 77 7.988 -5.427 0.976 570 HD11 LEU 77 1HD1 LEU 77 7.694 -3.083 0.341 571 HD12 LEU 77 2HD1 LEU 77 9.438 -2.919 0.142 572 HD13 LEU 77 3HD1 LEU 77 8.761 -3.250 1.736 573 HD21 LEU 77 3HD2 LEU 77 9.251 -4.664 -1.653 574 HD22 LEU 77 1HD2 LEU 77 7.541 -4.960 -1.339 575 HD23 LEU 77 2HD2 LEU 77 8.698 -6.288 -1.239 576 H SER 78 H SER 78 8.271 -4.745 3.464 577 HA SER 78 HA SER 78 9.737 -2.396 4.299 578 HB2 SER 78 1HB SER 78 7.543 -1.926 3.554 579 HB3 SER 78 2HB SER 78 6.850 -3.240 4.504 580 HG SER 78 HG SER 78 7.118 -2.062 6.338 581 H SER 79 H SER 79 9.864 -1.657 6.483 582 HA SER 79 HA SER 79 10.739 -2.075 8.576 583 HB2 SER 79 1HB SER 79 8.294 -1.697 8.899 584 HB3 SER 79 2HB SER 79 8.051 -3.443 8.845 585 HG SER 79 HG SER 79 8.818 -3.615 10.807 586 H ARG 80 H ARG 80 11.745 -3.969 6.820 587 HA ARG 80 HA ARG 80 11.479 -6.607 7.146 588 HB2 ARG 80 1HB ARG 80 13.899 -4.887 6.923 589 HB3 ARG 80 2HB ARG 80 14.140 -6.586 7.308 590 HG2 ARG 80 1HG ARG 80 12.381 -5.865 5.018 591 HG3 ARG 80 2HG ARG 80 14.132 -5.754 4.829 592 HD2 ARG 80 1HD ARG 80 12.718 -8.213 5.840 593 HD3 ARG 80 2HD ARG 80 13.104 -7.944 4.141 594 HE ARG 80 HE ARG 80 15.486 -7.616 5.394 595 HH11 ARG 80 2HH1 ARG 80 13.083 -10.135 5.401 596 HH12 ARG 80 1HH1 ARG 80 14.227 -11.405 5.688 597 HH21 ARG 80 1HH2 ARG 80 16.455 -10.916 5.899 598 HH22 ARG 80 2HH2 ARG 80 17.001 -9.278 5.771 599 H LEU 81 H LEU 81 11.684 -8.145 8.676 600 HA LEU 81 HA LEU 81 11.562 -7.540 11.375 601 HB2 LEU 81 1HB LEU 81 12.119 -9.998 9.805 602 HB3 LEU 81 2HB LEU 81 12.470 -10.032 11.532 603 HG LEU 81 HG LEU 81 9.985 -9.124 11.685 604 HD11 LEU 81 1HD1 LEU 81 8.626 -9.493 9.933 605 HD12 LEU 81 2HD1 LEU 81 9.480 -10.954 9.439 606 HD13 LEU 81 3HD1 LEU 81 10.117 -9.370 9.000 607 HD21 LEU 81 3HD2 LEU 81 9.408 -11.748 11.452 608 HD22 LEU 81 1HD2 LEU 81 10.211 -11.038 12.852 609 HD23 LEU 81 2HD2 LEU 81 11.165 -11.822 11.592 610 H GLN 82 H GLN 82 13.184 -8.568 13.015 611 HA GLN 82 HA GLN 82 15.664 -7.151 12.675 612 HB2 GLN 82 1HB GLN 82 14.519 -7.181 14.844 613 HB3 GLN 82 2HB GLN 82 14.710 -8.927 14.928 614 HG2 GLN 82 1HG GLN 82 16.382 -8.021 16.304 615 HG3 GLN 82 2HG GLN 82 17.197 -8.541 14.830 616 HE21 GLN 82 2HE2 GLN 82 18.411 -5.405 14.032 617 HE22 GLN 82 1HE2 GLN 82 18.320 -7.094 13.678 618 H THR 83 H THR 83 16.701 -8.234 10.978 619 HA THR 83 HA THR 83 17.945 -10.767 11.782 620 HB THR 83 HB THR 83 16.915 -10.267 8.985 621 HG1 THR 83 1HG THR 83 15.864 -11.908 11.068 622 HG21 THR 83 3HG2 THR 83 18.849 -11.727 9.040 623 HG22 THR 83 1HG2 THR 83 17.403 -12.675 8.693 624 HG23 THR 83 2HG2 THR 83 18.110 -12.704 10.309 625 H GLU 84 H GLU 84 20.023 -11.129 10.948 626 HA GLU 84 HA GLU 84 21.345 -8.694 9.989 627 HB2 GLU 84 1HB GLU 84 22.583 -11.209 11.121 628 HB3 GLU 84 2HB GLU 84 23.420 -9.706 10.759 629 HG2 GLU 84 1HG GLU 84 23.143 -9.442 12.991 630 HG3 GLU 84 2HG GLU 84 21.633 -8.722 12.435 631 H ASN 85 H ASN 85 21.812 -12.199 9.502 632 HA ASN 85 HA ASN 85 22.926 -11.758 6.886 633 HB2 ASN 85 1HB ASN 85 22.274 -14.257 8.451 634 HB3 ASN 85 2HB ASN 85 22.942 -14.297 6.821 635 HD21 ASN 85 2HD2 ASN 85 25.288 -12.714 9.783 636 HD22 ASN 85 1HD2 ASN 85 23.586 -12.416 9.764 637 H SER 86 H SER 86 22.048 -12.352 4.908 638 HA SER 86 HA SER 86 19.179 -12.184 4.754 639 HB2 SER 86 1HB SER 86 20.426 -11.006 3.077 640 HB3 SER 86 2HB SER 86 21.329 -12.458 2.645 641 HG SER 86 HG SER 86 19.665 -12.083 1.154 642 H GLY 87 H GLY 87 17.771 -13.807 4.577 643 HA2 GLY 87 1HA GLY 87 18.852 -16.527 4.272 644 HA3 GLY 87 2HA GLY 87 17.322 -16.119 5.034 645 HA PRO 88 HA PRO 88 16.945 -16.084 0.166 646 HB2 PRO 88 2HB PRO 88 19.023 -16.377 -0.769 647 HB3 PRO 88 1HB PRO 88 18.450 -18.037 -0.971 648 HG2 PRO 88 1HG PRO 88 19.583 -18.792 0.910 649 HG3 PRO 88 2HG PRO 88 20.698 -17.525 0.365 650 HD2 PRO 88 1HD PRO 88 19.651 -17.569 2.862 651 HD3 PRO 88 2HD PRO 88 20.036 -16.057 2.014 652 H SER 89 H SER 89 17.034 -18.556 2.492 653 HA SER 89 HA SER 89 15.227 -20.261 0.917 654 HB2 SER 89 1HB SER 89 16.934 -20.840 3.341 655 HB3 SER 89 2HB SER 89 15.697 -21.953 2.759 656 HG SER 89 HG SER 89 16.822 -21.950 0.731 657 H SER 90 H SER 90 13.145 -19.911 1.266 658 HA SER 90 HA SER 90 12.050 -18.374 3.301 659 HB2 SER 90 1HB SER 90 10.863 -20.478 1.500 660 HB3 SER 90 2HB SER 90 9.880 -19.623 2.689 661 HG SER 90 HG SER 90 11.261 -18.575 0.459 662 H GLY 91 H GLY 91 12.008 -21.935 3.031 663 HA2 GLY 91 1HA GLY 91 12.710 -22.527 5.631 664 HA3 GLY 91 2HA GLY 91 10.968 -22.296 5.665
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