NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26066 | 2kel | 16153 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H LYS 11 H LYS 11 -9.829 13.065 2.133 2 HA LYS 11 HA LYS 11 -8.781 13.419 4.257 3 HB2 LYS 11 2HB LYS 11 -10.342 15.105 5.150 4 HB3 LYS 11 1HB LYS 11 -10.177 15.202 3.404 5 HG2 LYS 11 2HG LYS 11 -12.308 14.195 3.069 6 HG3 LYS 11 1HG LYS 11 -12.451 13.794 4.782 7 HD2 LYS 11 2HD LYS 11 -12.318 16.594 3.657 8 HD3 LYS 11 1HD LYS 11 -13.799 15.764 4.143 9 HE2 LYS 11 2HE LYS 11 -12.933 15.574 6.430 10 HE3 LYS 11 1HE LYS 11 -11.466 16.419 5.942 11 HZ1 LYS 11 2HZ LYS 11 -13.064 17.881 7.038 12 HZ2 LYS 11 3HZ LYS 11 -14.210 17.553 5.830 13 HZ3 LYS 11 1HZ LYS 11 -12.773 18.367 5.442 14 H GLN 12 H GLN 12 -11.706 11.485 4.427 15 HA GLN 12 HA GLN 12 -11.735 11.313 7.271 16 HB2 GLN 12 2HB GLN 12 -13.214 9.365 6.952 17 HB3 GLN 12 1HB GLN 12 -13.741 10.757 6.024 18 HG2 GLN 12 2HG GLN 12 -12.798 9.779 4.003 19 HG3 GLN 12 1HG GLN 12 -12.230 8.394 4.933 20 HE21 GLN 12 1HE2 GLN 12 -14.047 8.468 2.675 21 HE22 GLN 12 2HE2 GLN 12 -15.519 7.734 3.218 22 H LYS 13 H LYS 13 -10.529 10.105 8.596 23 HA LYS 13 HA LYS 13 -8.367 8.648 7.227 24 HB2 LYS 13 2HB LYS 13 -6.929 9.230 9.127 25 HB3 LYS 13 1HB LYS 13 -7.567 10.663 8.337 26 HG2 LYS 13 2HG LYS 13 -9.146 11.010 10.091 27 HG3 LYS 13 1HG LYS 13 -8.762 9.447 10.817 28 HD2 LYS 13 2HD LYS 13 -6.451 10.252 11.214 29 HD3 LYS 13 1HD LYS 13 -6.930 11.835 10.597 30 HE2 LYS 13 2HE LYS 13 -6.957 11.739 13.055 31 HE3 LYS 13 1HE LYS 13 -8.549 12.079 12.383 32 HZ1 LYS 13 3HZ LYS 13 -7.578 9.476 13.448 33 HZ2 LYS 13 1HZ LYS 13 -9.066 9.683 12.658 34 HZ3 LYS 13 2HZ LYS 13 -8.768 10.478 14.123 35 H ALA 14 H ALA 14 -7.480 6.827 8.123 36 HA ALA 14 HA ALA 14 -8.738 5.640 10.478 37 HB1 ALA 14 1HB ALA 14 -8.874 3.461 9.361 38 HB2 ALA 14 2HB ALA 14 -8.370 4.210 7.842 39 HB3 ALA 14 3HB ALA 14 -9.910 4.657 8.583 40 H VAL 15 H VAL 15 -7.381 3.692 11.171 41 HA VAL 15 HA VAL 15 -4.548 4.321 10.667 42 HB VAL 15 HB VAL 15 -5.423 2.647 12.977 43 HG11 VAL 15 1HG1 VAL 15 -3.426 3.603 14.030 44 HG12 VAL 15 2HG1 VAL 15 -3.130 4.553 12.574 45 HG13 VAL 15 3HG1 VAL 15 -3.056 2.791 12.510 46 HG21 VAL 15 3HG2 VAL 15 -5.601 4.651 14.388 47 HG22 VAL 15 1HG2 VAL 15 -6.850 4.592 13.144 48 HG23 VAL 15 2HG2 VAL 15 -5.457 5.657 12.943 49 H PHE 16 H PHE 16 -3.098 2.432 10.740 50 HA PHE 16 HA PHE 16 -4.305 -0.128 10.098 51 HB2 PHE 16 2HB PHE 16 -4.043 1.405 7.984 52 HB3 PHE 16 1HB PHE 16 -2.342 0.975 8.120 53 HD1 PHE 16 2HD PHE 16 -5.419 -1.040 8.689 54 HD2 PHE 16 1HD PHE 16 -1.877 -0.482 6.397 55 HE1 PHE 16 2HE PHE 16 -5.869 -3.140 7.490 56 HE2 PHE 16 1HE PHE 16 -2.326 -2.577 5.189 57 HZ PHE 16 HZ PHE 16 -4.316 -3.909 5.743 58 H GLY 17 H GLY 17 -3.140 -1.646 11.068 59 HA2 GLY 17 2HA GLY 17 -0.254 -1.155 11.475 60 HA3 GLY 17 1HA GLY 17 -1.273 -1.746 12.782 61 H ILE 18 H ILE 18 0.490 -2.569 9.945 62 HA ILE 18 HA ILE 18 -0.388 -5.369 10.205 63 HB ILE 18 HB ILE 18 -0.028 -5.604 7.763 64 HG12 ILE 18 2HG1 ILE 18 0.008 -2.579 7.734 65 HG13 ILE 18 1HG1 ILE 18 1.465 -3.559 7.590 66 HG21 ILE 18 1HG2 ILE 18 -2.061 -3.568 8.645 67 HG22 ILE 18 2HG2 ILE 18 -2.252 -5.323 8.679 68 HG23 ILE 18 3HG2 ILE 18 -2.125 -4.478 7.136 69 HD11 ILE 18 3HD1 ILE 18 0.570 -4.555 5.549 70 HD12 ILE 18 1HD1 ILE 18 0.684 -2.799 5.426 71 HD13 ILE 18 2HD1 ILE 18 -0.880 -3.562 5.707 72 H TYR 19 H TYR 19 1.150 -6.933 9.253 73 HA TYR 19 HA TYR 19 3.926 -6.097 9.723 74 HB2 TYR 19 2HB TYR 19 2.725 -8.876 9.767 75 HB3 TYR 19 1HB TYR 19 4.416 -8.494 10.058 76 HD1 TYR 19 1HD TYR 19 4.736 -6.628 11.987 77 HD2 TYR 19 2HD TYR 19 1.416 -9.261 11.601 78 HE1 TYR 19 1HE TYR 19 4.280 -6.398 14.390 79 HE2 TYR 19 2HE TYR 19 0.944 -9.029 14.001 80 HH TYR 19 HH TYR 19 2.366 -6.642 15.944 81 H MET 20 H MET 20 4.506 -5.360 7.751 82 HA MET 20 HA MET 20 4.124 -7.134 5.429 83 HB2 MET 20 2HB MET 20 4.464 -5.144 4.030 84 HB3 MET 20 1HB MET 20 3.132 -4.900 5.151 85 HG2 MET 20 2HG MET 20 4.783 -3.692 6.637 86 HG3 MET 20 1HG MET 20 5.900 -3.732 5.271 87 HE1 MET 20 3HE MET 20 4.016 -1.592 2.589 88 HE2 MET 20 1HE MET 20 4.008 -3.345 2.763 89 HE3 MET 20 2HE MET 20 5.508 -2.446 2.990 90 H ASP 21 H ASP 21 5.965 -7.170 3.841 91 HA ASP 21 HA ASP 21 8.305 -7.973 5.156 92 HB2 ASP 21 2HB ASP 21 7.597 -7.552 2.291 93 HB3 ASP 21 1HB ASP 21 9.297 -7.619 2.722 94 H LYS 22 H LYS 22 10.455 -7.129 4.927 95 HA LYS 22 HA LYS 22 10.476 -4.367 5.690 96 HB2 LYS 22 2HB LYS 22 11.889 -5.947 6.877 97 HB3 LYS 22 1HB LYS 22 12.671 -6.427 5.376 98 HG2 LYS 22 2HG LYS 22 13.643 -4.190 5.170 99 HG3 LYS 22 1HG LYS 22 12.880 -3.727 6.698 100 HD2 LYS 22 2HD LYS 22 14.126 -5.494 7.851 101 HD3 LYS 22 1HD LYS 22 14.889 -5.950 6.327 102 HE2 LYS 22 2HE LYS 22 15.872 -3.690 6.185 103 HE3 LYS 22 1HE LYS 22 15.167 -3.310 7.757 104 HZ1 LYS 22 3HZ LYS 22 17.463 -3.964 8.001 105 HZ2 LYS 22 1HZ LYS 22 17.173 -5.433 7.201 106 HZ3 LYS 22 2HZ LYS 22 16.464 -5.137 8.713 107 H ASP 23 H ASP 23 12.311 -6.196 3.262 108 HA ASP 23 HA ASP 23 13.564 -4.090 2.029 109 HB2 ASP 23 2HB ASP 23 14.116 -6.409 1.545 110 HB3 ASP 23 1HB ASP 23 12.563 -6.637 0.754 111 H LEU 24 H LEU 24 10.352 -5.341 1.396 112 HA LEU 24 HA LEU 24 9.821 -3.761 -0.886 113 HB2 LEU 24 2HB LEU 24 8.672 -5.807 -0.585 114 HB3 LEU 24 1HB LEU 24 8.193 -5.378 1.040 115 HG LEU 24 HG LEU 24 6.465 -5.417 -0.917 116 HD11 LEU 24 1HD1 LEU 24 6.018 -4.903 1.399 117 HD12 LEU 24 2HD1 LEU 24 5.150 -3.786 0.342 118 HD13 LEU 24 3HD1 LEU 24 6.619 -3.262 1.174 119 HD21 LEU 24 3HD2 LEU 24 7.864 -3.741 -2.231 120 HD22 LEU 24 1HD2 LEU 24 7.311 -2.538 -1.073 121 HD23 LEU 24 2HD2 LEU 24 6.140 -3.395 -2.081 122 H LYS 25 H LYS 25 8.670 -3.490 2.511 123 HA LYS 25 HA LYS 25 7.353 -1.021 2.174 124 HB2 LYS 25 2HB LYS 25 7.146 -2.607 4.123 125 HB3 LYS 25 1HB LYS 25 8.715 -2.042 4.680 126 HG2 LYS 25 2HG LYS 25 7.737 0.273 4.728 127 HG3 LYS 25 1HG LYS 25 6.168 -0.478 4.442 128 HD2 LYS 25 2HD LYS 25 6.160 -0.369 6.733 129 HD3 LYS 25 1HD LYS 25 6.871 -1.970 6.489 130 HE2 LYS 25 2HE LYS 25 8.436 0.576 6.941 131 HE3 LYS 25 1HE LYS 25 8.061 -0.610 8.192 132 HZ1 LYS 25 3HZ LYS 25 9.676 -1.129 5.752 133 HZ2 LYS 25 1HZ LYS 25 9.338 -2.250 6.972 134 HZ3 LYS 25 2HZ LYS 25 10.293 -0.899 7.308 135 H THR 26 H THR 26 10.647 -1.924 2.753 136 HA THR 26 HA THR 26 11.542 0.679 3.567 137 HB THR 26 HB THR 26 12.982 -1.903 2.975 138 HG1 THR 26 1HG THR 26 13.430 -0.891 5.403 139 HG21 THR 26 3HG2 THR 26 14.204 0.734 3.824 140 HG22 THR 26 1HG2 THR 26 14.476 -0.090 2.289 141 HG23 THR 26 2HG2 THR 26 15.043 -0.818 3.793 142 H ARG 27 H ARG 27 11.590 -1.209 0.605 143 HA ARG 27 HA ARG 27 13.059 0.499 -1.024 144 HB2 ARG 27 2HB ARG 27 12.450 -1.488 -2.067 145 HB3 ARG 27 1HB ARG 27 10.804 -1.417 -1.472 146 HG2 ARG 27 2HG ARG 27 10.872 -1.133 -3.870 147 HG3 ARG 27 1HG ARG 27 10.287 0.329 -3.070 148 HD2 ARG 27 2HD ARG 27 11.867 0.800 -4.924 149 HD3 ARG 27 1HD ARG 27 12.424 1.409 -3.365 150 HE ARG 27 HE ARG 27 13.428 -1.216 -4.057 151 HH11 ARG 27 1HH1 ARG 27 13.949 2.251 -4.317 152 HH12 ARG 27 2HH1 ARG 27 15.676 2.100 -4.478 153 HH21 ARG 27 1HH2 ARG 27 15.679 -1.407 -4.292 154 HH22 ARG 27 2HH2 ARG 27 16.660 0.015 -4.489 155 H LEU 28 H LEU 28 9.591 0.485 -0.349 156 HA LEU 28 HA LEU 28 8.950 2.874 -1.651 157 HB2 LEU 28 2HB LEU 28 7.392 1.113 -0.854 158 HB3 LEU 28 1HB LEU 28 7.639 1.683 0.785 159 HG LEU 28 HG LEU 28 5.516 2.404 -0.393 160 HD11 LEU 28 1HD1 LEU 28 6.456 3.399 1.656 161 HD12 LEU 28 2HD1 LEU 28 5.523 4.532 0.675 162 HD13 LEU 28 3HD1 LEU 28 7.288 4.588 0.653 163 HD21 LEU 28 3HD2 LEU 28 6.512 2.934 -2.552 164 HD22 LEU 28 1HD2 LEU 28 7.459 4.225 -1.811 165 HD23 LEU 28 2HD2 LEU 28 5.697 4.342 -1.867 166 H LYS 29 H LYS 29 10.109 2.250 1.634 167 HA LYS 29 HA LYS 29 9.878 4.825 2.685 168 HB2 LYS 29 2HB LYS 29 10.462 2.842 4.026 169 HB3 LYS 29 1HB LYS 29 12.019 2.760 3.219 170 HG2 LYS 29 2HG LYS 29 11.265 5.229 4.717 171 HG3 LYS 29 1HG LYS 29 11.818 3.801 5.589 172 HD2 LYS 29 2HD LYS 29 13.902 3.806 4.414 173 HD3 LYS 29 1HD LYS 29 13.344 5.076 3.322 174 HE2 LYS 29 2HE LYS 29 14.861 5.923 5.068 175 HE3 LYS 29 1HE LYS 29 13.259 6.658 5.146 176 HZ1 LYS 29 3HZ LYS 29 14.071 6.054 7.340 177 HZ2 LYS 29 1HZ LYS 29 14.217 4.432 6.866 178 HZ3 LYS 29 2HZ LYS 29 12.687 5.158 6.949 179 H VAL 30 H VAL 30 12.380 3.376 0.701 180 HA VAL 30 HA VAL 30 14.085 5.643 0.659 181 HB VAL 30 HB VAL 30 13.875 3.305 -1.208 182 HG11 VAL 30 1HG1 VAL 30 16.067 5.360 -0.945 183 HG12 VAL 30 2HG1 VAL 30 15.001 5.130 -2.334 184 HG13 VAL 30 3HG1 VAL 30 16.169 3.881 -1.900 185 HG21 VAL 30 3HG2 VAL 30 15.731 2.401 0.075 186 HG22 VAL 30 1HG2 VAL 30 14.355 2.751 1.126 187 HG23 VAL 30 2HG2 VAL 30 15.740 3.843 1.095 188 H TYR 31 H TYR 31 11.429 4.547 -1.264 189 HA TYR 31 HA TYR 31 11.572 6.444 -3.332 190 HB2 TYR 31 2HB TYR 31 10.143 4.513 -3.520 191 HB3 TYR 31 1HB TYR 31 9.239 4.983 -2.082 192 HD1 TYR 31 1HD TYR 31 9.969 5.964 -5.575 193 HD2 TYR 31 2HD TYR 31 7.395 6.403 -2.229 194 HE1 TYR 31 1HE TYR 31 8.365 7.168 -6.974 195 HE2 TYR 31 2HE TYR 31 5.782 7.608 -3.619 196 HH TYR 31 HH TYR 31 5.837 8.979 -5.748 197 H CYS 32 H CYS 32 10.159 6.466 -0.113 198 HA CYS 32 HA CYS 32 8.984 9.059 -0.336 199 HB2 CYS 32 2HB CYS 32 9.703 7.465 2.122 200 HB3 CYS 32 1HB CYS 32 8.673 8.887 2.093 201 HG CYS 32 HG CYS 32 7.996 5.841 0.714 202 H ALA 33 H ALA 33 12.117 7.868 0.447 203 HA ALA 33 HA ALA 33 13.055 10.308 1.634 204 HB1 ALA 33 1HB ALA 33 14.044 8.140 2.206 205 HB2 ALA 33 2HB ALA 33 15.251 9.244 1.541 206 HB3 ALA 33 3HB ALA 33 14.589 7.953 0.539 207 H LYS 34 H LYS 34 13.075 8.793 -1.514 208 HA LYS 34 HA LYS 34 14.825 10.634 -2.759 209 HB2 LYS 34 2HB LYS 34 14.492 8.344 -3.592 210 HB3 LYS 34 1HB LYS 34 12.813 8.717 -3.950 211 HG2 LYS 34 2HG LYS 34 13.573 10.405 -5.578 212 HG3 LYS 34 1HG LYS 34 15.235 9.918 -5.255 213 HD2 LYS 34 2HD LYS 34 13.094 8.049 -6.256 214 HD3 LYS 34 1HD LYS 34 14.223 8.902 -7.304 215 HE2 LYS 34 2HE LYS 34 15.307 6.904 -7.083 216 HE3 LYS 34 1HE LYS 34 16.018 7.795 -5.740 217 HZ1 LYS 34 3HZ LYS 34 14.369 6.717 -4.274 218 HZ2 LYS 34 1HZ LYS 34 15.408 5.613 -5.023 219 HZ3 LYS 34 2HZ LYS 34 13.823 5.792 -5.588 220 H ASN 35 H ASN 35 11.304 10.317 -2.671 221 HA ASN 35 HA ASN 35 11.047 12.800 -4.195 222 HB2 ASN 35 2HB ASN 35 8.991 10.815 -3.214 223 HB3 ASN 35 1HB ASN 35 8.591 12.297 -4.071 224 HD21 ASN 35 1HD2 ASN 35 10.019 9.141 -4.317 225 HD22 ASN 35 2HD2 ASN 35 10.035 9.071 -6.051 226 H ASN 36 H ASN 36 11.689 12.102 -1.143 227 HA ASN 36 HA ASN 36 11.253 12.949 0.926 228 HB2 ASN 36 2HB ASN 36 10.772 15.281 -0.881 229 HB3 ASN 36 1HB ASN 36 10.465 15.454 0.845 230 HD21 ASN 36 1HD2 ASN 36 12.226 15.518 2.253 231 HD22 ASN 36 2HD2 ASN 36 13.876 15.636 1.712 232 H LEU 37 H LEU 37 9.060 11.617 -0.569 233 HA LEU 37 HA LEU 37 6.587 12.804 0.192 234 HB2 LEU 37 2HB LEU 37 7.490 10.444 -1.207 235 HB3 LEU 37 1HB LEU 37 6.202 10.049 -0.086 236 HG LEU 37 HG LEU 37 4.754 11.719 -1.141 237 HD11 LEU 37 1HD1 LEU 37 5.412 12.816 -3.201 238 HD12 LEU 37 2HD1 LEU 37 7.015 12.088 -3.098 239 HD13 LEU 37 3HD1 LEU 37 6.501 13.264 -1.887 240 HD21 LEU 37 3HD2 LEU 37 5.987 9.744 -3.058 241 HD22 LEU 37 1HD2 LEU 37 4.422 10.533 -3.264 242 HD23 LEU 37 2HD2 LEU 37 4.680 9.421 -1.918 243 H GLN 38 H GLN 38 5.025 11.721 1.605 244 HA GLN 38 HA GLN 38 6.227 10.859 4.098 245 HB2 GLN 38 2HB GLN 38 3.331 11.245 3.331 246 HB3 GLN 38 1HB GLN 38 3.897 10.804 4.934 247 HG2 GLN 38 2HG GLN 38 5.065 12.912 5.128 248 HG3 GLN 38 1HG GLN 38 4.572 13.349 3.493 249 HE21 GLN 38 1HE2 GLN 38 3.440 15.163 4.156 250 HE22 GLN 38 2HE2 GLN 38 1.925 15.050 4.991 251 H LEU 39 H LEU 39 6.269 8.789 4.799 252 HA LEU 39 HA LEU 39 6.083 6.588 3.206 253 HB2 LEU 39 2HB LEU 39 6.347 7.070 5.968 254 HB3 LEU 39 1HB LEU 39 5.100 5.851 5.796 255 HG LEU 39 HG LEU 39 7.119 4.673 6.088 256 HD11 LEU 39 1HD1 LEU 39 6.555 4.760 3.132 257 HD12 LEU 39 2HD1 LEU 39 5.738 3.747 4.322 258 HD13 LEU 39 3HD1 LEU 39 7.448 3.494 3.974 259 HD21 LEU 39 3HD2 LEU 39 9.136 5.078 4.785 260 HD22 LEU 39 1HD2 LEU 39 8.654 6.516 5.686 261 HD23 LEU 39 2HD2 LEU 39 8.337 6.414 3.954 262 H THR 40 H THR 40 3.487 7.785 5.304 263 HA THR 40 HA THR 40 1.562 5.911 4.614 264 HB THR 40 HB THR 40 0.911 8.765 5.278 265 HG1 THR 40 1HG THR 40 1.639 8.491 7.267 266 HG21 THR 40 3HG2 THR 40 -0.954 7.755 6.503 267 HG22 THR 40 1HG2 THR 40 -0.400 6.151 6.021 268 HG23 THR 40 2HG2 THR 40 -0.974 7.288 4.800 269 H GLN 41 H GLN 41 2.117 9.152 3.280 270 HA GLN 41 HA GLN 41 0.017 9.218 1.470 271 HB2 GLN 41 2HB GLN 41 1.574 11.096 2.116 272 HB3 GLN 41 1HB GLN 41 2.752 10.410 1.005 273 HG2 GLN 41 2HG GLN 41 1.157 10.702 -0.841 274 HG3 GLN 41 1HG GLN 41 0.015 11.439 0.284 275 HE21 GLN 41 1HE2 GLN 41 2.964 11.844 -1.478 276 HE22 GLN 41 2HE2 GLN 41 3.141 13.545 -1.210 277 H ALA 42 H ALA 42 3.212 7.791 1.180 278 HA ALA 42 HA ALA 42 3.045 7.140 -1.595 279 HB1 ALA 42 1HB ALA 42 5.165 7.346 -0.419 280 HB2 ALA 42 2HB ALA 42 4.988 5.757 -1.166 281 HB3 ALA 42 3HB ALA 42 4.751 5.946 0.571 282 H ILE 43 H ILE 43 2.485 5.265 1.403 283 HA ILE 43 HA ILE 43 1.786 2.838 0.182 284 HB ILE 43 HB ILE 43 1.239 4.081 2.821 285 HG12 ILE 43 2HG1 ILE 43 1.980 1.812 3.587 286 HG13 ILE 43 1HG1 ILE 43 2.171 1.362 1.900 287 HG21 ILE 43 1HG2 ILE 43 -0.998 3.403 2.179 288 HG22 ILE 43 2HG2 ILE 43 -0.377 2.391 3.490 289 HG23 ILE 43 3HG2 ILE 43 -0.419 1.765 1.838 290 HD11 ILE 43 3HD1 ILE 43 3.817 3.189 1.652 291 HD12 ILE 43 1HD1 ILE 43 4.300 1.938 2.798 292 HD13 ILE 43 2HD1 ILE 43 3.686 3.481 3.389 293 H GLU 44 H GLU 44 -0.194 5.625 1.027 294 HA GLU 44 HA GLU 44 -2.662 4.540 0.238 295 HB2 GLU 44 2HB GLU 44 -1.782 7.428 0.354 296 HB3 GLU 44 1HB GLU 44 -3.447 6.890 0.190 297 HG2 GLU 44 2HG GLU 44 -3.304 5.790 2.358 298 HG3 GLU 44 1HG GLU 44 -1.637 6.323 2.521 299 H GLU 45 H GLU 45 -0.328 6.544 -1.543 300 HA GLU 45 HA GLU 45 -1.766 6.607 -3.967 301 HB2 GLU 45 2HB GLU 45 1.212 6.753 -3.453 302 HB3 GLU 45 1HB GLU 45 0.475 7.034 -5.022 303 HG2 GLU 45 2HG GLU 45 -0.008 8.647 -2.530 304 HG3 GLU 45 1HG GLU 45 1.008 9.116 -3.889 305 H ALA 46 H ALA 46 0.524 4.320 -2.590 306 HA ALA 46 HA ALA 46 0.870 2.696 -4.850 307 HB1 ALA 46 1HB ALA 46 1.725 1.035 -3.320 308 HB2 ALA 46 2HB ALA 46 0.955 1.850 -1.951 309 HB3 ALA 46 3HB ALA 46 2.283 2.632 -2.811 310 H ILE 47 H ILE 47 -1.268 2.328 -2.045 311 HA ILE 47 HA ILE 47 -2.509 0.011 -3.035 312 HB ILE 47 HB ILE 47 -2.262 0.640 -0.626 313 HG12 ILE 47 2HG1 ILE 47 -5.003 -0.088 -1.658 314 HG13 ILE 47 1HG1 ILE 47 -3.702 -1.180 -1.204 315 HG21 ILE 47 1HG2 ILE 47 -2.857 2.947 -0.686 316 HG22 ILE 47 2HG2 ILE 47 -3.986 2.088 0.370 317 HG23 ILE 47 3HG2 ILE 47 -4.481 2.553 -1.261 318 HD11 ILE 47 3HD1 ILE 47 -5.351 -1.142 0.527 319 HD12 ILE 47 1HD1 ILE 47 -5.238 0.615 0.651 320 HD13 ILE 47 2HD1 ILE 47 -3.865 -0.392 1.113 321 H LYS 48 H LYS 48 -3.113 3.409 -3.387 322 HA LYS 48 HA LYS 48 -5.809 3.267 -4.263 323 HB2 LYS 48 2HB LYS 48 -4.855 5.369 -3.512 324 HB3 LYS 48 1HB LYS 48 -3.624 5.293 -4.759 325 HG2 LYS 48 2HG LYS 48 -5.015 6.760 -5.762 326 HG3 LYS 48 1HG LYS 48 -5.766 5.273 -6.332 327 HD2 LYS 48 2HD LYS 48 -6.654 6.703 -3.835 328 HD3 LYS 48 1HD LYS 48 -7.329 7.048 -5.426 329 HE2 LYS 48 2HE LYS 48 -7.966 4.652 -5.607 330 HE3 LYS 48 1HE LYS 48 -7.415 4.421 -3.951 331 HZ1 LYS 48 3HZ LYS 48 -9.044 6.092 -3.240 332 HZ2 LYS 48 1HZ LYS 48 -9.790 4.770 -4.000 333 HZ3 LYS 48 2HZ LYS 48 -9.595 6.234 -4.836 334 H GLU 49 H GLU 49 -2.747 3.631 -6.039 335 HA GLU 49 HA GLU 49 -4.015 3.369 -8.580 336 HB2 GLU 49 2HB GLU 49 -1.154 3.476 -7.640 337 HB3 GLU 49 1HB GLU 49 -1.497 2.983 -9.290 338 HG2 GLU 49 2HG GLU 49 -2.253 5.093 -9.918 339 HG3 GLU 49 1HG GLU 49 -2.639 5.558 -8.258 340 H TYR 50 H TYR 50 -3.238 1.153 -6.240 341 HA TYR 50 HA TYR 50 -2.627 -1.049 -7.948 342 HB2 TYR 50 2HB TYR 50 -1.693 -1.060 -5.763 343 HB3 TYR 50 1HB TYR 50 -3.261 -0.758 -5.024 344 HD1 TYR 50 2HD TYR 50 -1.500 -3.318 -7.101 345 HD2 TYR 50 1HD TYR 50 -4.395 -2.478 -4.103 346 HE1 TYR 50 2HE TYR 50 -1.779 -5.725 -6.709 347 HE2 TYR 50 1HE TYR 50 -4.676 -4.884 -3.676 348 HH TYR 50 HH TYR 50 -4.345 -7.039 -5.081 349 H LEU 51 H LEU 51 -5.403 0.013 -6.018 350 HA LEU 51 HA LEU 51 -7.143 -2.046 -6.768 351 HB2 LEU 51 2HB LEU 51 -7.464 0.652 -5.618 352 HB3 LEU 51 1HB LEU 51 -8.873 -0.033 -6.391 353 HG LEU 51 HG LEU 51 -9.321 -0.996 -4.438 354 HD11 LEU 51 1HD1 LEU 51 -8.487 -2.960 -5.565 355 HD12 LEU 51 2HD1 LEU 51 -8.114 -3.041 -3.843 356 HD13 LEU 51 3HD1 LEU 51 -6.853 -2.619 -5.000 357 HD21 LEU 51 3HD2 LEU 51 -7.669 -1.067 -2.564 358 HD22 LEU 51 1HD2 LEU 51 -7.980 0.544 -3.224 359 HD23 LEU 51 2HD2 LEU 51 -6.497 -0.317 -3.659 360 H GLN 52 H GLN 52 -6.440 1.040 -8.327 361 HA GLN 52 HA GLN 52 -8.551 0.683 -10.246 362 HB2 GLN 52 2HB GLN 52 -6.380 2.693 -9.865 363 HB3 GLN 52 1HB GLN 52 -7.144 2.576 -11.445 364 HG2 GLN 52 2HG GLN 52 -8.247 4.279 -10.200 365 HG3 GLN 52 1HG GLN 52 -9.343 2.908 -10.349 366 HE21 GLN 52 1HE2 GLN 52 -7.373 4.792 -8.238 367 HE22 GLN 52 2HE2 GLN 52 -8.013 4.168 -6.756 368 H LYS 53 H LYS 53 -5.178 -0.093 -10.081 369 HA LYS 53 HA LYS 53 -4.926 -0.758 -12.858 370 HB2 LYS 53 2HB LYS 53 -3.025 -0.115 -11.335 371 HB3 LYS 53 1HB LYS 53 -3.193 -1.689 -10.576 372 HG2 LYS 53 2HG LYS 53 -2.670 -2.784 -12.676 373 HG3 LYS 53 1HG LYS 53 -2.557 -1.216 -13.480 374 HD2 LYS 53 2HD LYS 53 -0.337 -1.895 -12.982 375 HD3 LYS 53 1HD LYS 53 -0.753 -0.621 -11.838 376 HE2 LYS 53 2HE LYS 53 0.381 -2.359 -10.646 377 HE3 LYS 53 1HE LYS 53 -1.318 -2.379 -10.175 378 HZ1 LYS 53 3HZ LYS 53 -1.674 -4.227 -11.710 379 HZ2 LYS 53 1HZ LYS 53 -0.494 -4.605 -10.547 380 HZ3 LYS 53 2HZ LYS 53 -0.029 -4.207 -12.131 381 H ARG 54 H ARG 54 -6.347 -2.203 -10.180 382 HA ARG 54 HA ARG 54 -6.022 -4.888 -11.285 383 HB2 ARG 54 2HB ARG 54 -5.478 -4.100 -8.798 384 HB3 ARG 54 1HB ARG 54 -7.193 -4.423 -8.591 385 HG2 ARG 54 2HG ARG 54 -6.383 -6.487 -8.074 386 HG3 ARG 54 1HG ARG 54 -6.489 -6.679 -9.829 387 HD2 ARG 54 2HD ARG 54 -4.171 -6.146 -10.092 388 HD3 ARG 54 1HD ARG 54 -4.030 -5.727 -8.392 389 HE ARG 54 HE ARG 54 -4.885 -8.428 -8.816 390 HH11 ARG 54 1HH1 ARG 54 -2.106 -6.328 -8.616 391 HH12 ARG 54 2HH1 ARG 54 -1.007 -7.596 -8.185 392 HH21 ARG 54 1HH2 ARG 54 -3.452 -10.115 -8.275 393 HH22 ARG 54 2HH2 ARG 54 -1.778 -9.761 -7.978 394 H ASN 55 H ASN 55 -8.503 -3.248 -9.320 395 HA ASN 55 HA ASN 55 -10.602 -3.322 -11.096 396 HB2 ASN 55 2HB ASN 55 -11.884 -5.332 -10.051 397 HB3 ASN 55 1HB ASN 55 -10.712 -5.633 -11.323 398 HD21 ASN 55 1HD2 ASN 55 -10.440 -7.756 -10.692 399 HD22 ASN 55 2HD2 ASN 55 -9.552 -8.189 -9.268 400 H GLY 56 H GLY 56 -10.194 -4.361 -7.691 401 HA2 GLY 56 2HA GLY 56 -10.743 -2.826 -5.896 402 HA3 GLY 56 1HA GLY 56 -11.973 -2.137 -6.943 403 H LYS 11 H LYS 11 9.995 -13.041 2.290 404 HA LYS 11 HA LYS 11 8.959 -13.373 4.422 405 HB2 LYS 11 2HB LYS 11 10.521 -15.055 5.327 406 HB3 LYS 11 1HB LYS 11 10.356 -15.167 3.580 407 HG2 LYS 11 2HG LYS 11 12.490 -14.162 3.238 408 HG3 LYS 11 1HG LYS 11 12.631 -13.744 4.947 409 HD2 LYS 11 2HD LYS 11 12.497 -16.555 3.853 410 HD3 LYS 11 1HD LYS 11 13.979 -15.720 4.329 411 HE2 LYS 11 2HE LYS 11 13.102 -15.497 6.611 412 HE3 LYS 11 1HE LYS 11 11.644 -16.364 6.128 413 HZ1 LYS 11 2HZ LYS 11 13.252 -17.795 7.251 414 HZ2 LYS 11 3HZ LYS 11 14.400 -17.475 6.044 415 HZ3 LYS 11 1HZ LYS 11 12.971 -18.309 5.660 416 H GLN 12 H GLN 12 11.883 -11.427 4.559 417 HA GLN 12 HA GLN 12 11.931 -11.225 7.398 418 HB2 GLN 12 2HB GLN 12 13.407 -9.280 7.047 419 HB3 GLN 12 1HB GLN 12 13.930 -10.686 6.134 420 HG2 GLN 12 2HG GLN 12 12.986 -9.738 4.105 421 HG3 GLN 12 1HG GLN 12 12.408 -8.344 5.016 422 HE21 GLN 12 1HE2 GLN 12 14.247 -8.457 2.761 423 HE22 GLN 12 2HE2 GLN 12 15.715 -7.716 3.303 424 H LYS 13 H LYS 13 10.713 -10.005 8.708 425 HA LYS 13 HA LYS 13 8.558 -8.562 7.325 426 HB2 LYS 13 2HB LYS 13 7.121 -9.115 9.234 427 HB3 LYS 13 1HB LYS 13 7.758 -10.560 8.464 428 HG2 LYS 13 2HG LYS 13 9.343 -10.879 10.220 429 HG3 LYS 13 1HG LYS 13 8.957 -9.307 10.926 430 HD2 LYS 13 2HD LYS 13 6.651 -10.111 11.348 431 HD3 LYS 13 1HD LYS 13 7.126 -11.701 10.745 432 HE2 LYS 13 2HE LYS 13 7.168 -11.571 13.207 433 HE3 LYS 13 1HE LYS 13 8.753 -11.928 12.525 434 HZ1 LYS 13 3HZ LYS 13 7.805 -9.294 13.527 435 HZ2 LYS 13 1HZ LYS 13 9.300 -9.552 12.768 436 HZ3 LYS 13 2HZ LYS 13 8.968 -10.294 14.252 437 H ALA 14 H ALA 14 7.669 -6.725 8.202 438 HA ALA 14 HA ALA 14 8.943 -5.510 10.535 439 HB1 ALA 14 1HB ALA 14 9.072 -3.344 9.384 440 HB2 ALA 14 2HB ALA 14 8.564 -4.117 7.881 441 HB3 ALA 14 3HB ALA 14 10.107 -4.550 8.621 442 H VAL 15 H VAL 15 7.588 -3.537 11.196 443 HA VAL 15 HA VAL 15 4.749 -4.182 10.712 444 HB VAL 15 HB VAL 15 5.630 -2.481 13.000 445 HG11 VAL 15 1HG1 VAL 15 3.632 -3.423 14.070 446 HG12 VAL 15 2HG1 VAL 15 3.331 -4.386 12.625 447 HG13 VAL 15 3HG1 VAL 15 3.262 -2.626 12.542 448 HG21 VAL 15 3HG2 VAL 15 5.812 -4.468 14.439 449 HG22 VAL 15 1HG2 VAL 15 7.058 -4.427 13.192 450 HG23 VAL 15 2HG2 VAL 15 5.664 -5.495 13.011 451 H PHE 16 H PHE 16 3.296 -2.294 10.760 452 HA PHE 16 HA PHE 16 4.505 0.259 10.094 453 HB2 PHE 16 2HB PHE 16 4.245 -1.297 7.995 454 HB3 PHE 16 1HB PHE 16 2.543 -0.872 8.127 455 HD1 PHE 16 2HD PHE 16 5.612 1.150 8.667 456 HD2 PHE 16 1HD PHE 16 2.068 0.567 6.383 457 HE1 PHE 16 2HE PHE 16 6.066 3.233 7.442 458 HE2 PHE 16 1HE PHE 16 2.524 2.645 5.145 459 HZ PHE 16 HZ PHE 16 4.516 3.981 5.682 460 H GLY 17 H GLY 17 3.334 1.797 11.039 461 HA2 GLY 17 2HA GLY 17 0.449 1.310 11.457 462 HA3 GLY 17 1HA GLY 17 1.470 1.915 12.755 463 H ILE 18 H ILE 18 -0.286 2.700 9.902 464 HA ILE 18 HA ILE 18 0.594 5.503 10.131 465 HB ILE 18 HB ILE 18 0.232 5.709 7.687 466 HG12 ILE 18 2HG1 ILE 18 0.185 2.684 7.696 467 HG13 ILE 18 1HG1 ILE 18 -1.267 3.668 7.539 468 HG21 ILE 18 1HG2 ILE 18 2.263 3.683 8.595 469 HG22 ILE 18 2HG2 ILE 18 2.455 5.437 8.600 470 HG23 ILE 18 3HG2 ILE 18 2.324 4.569 7.070 471 HD11 ILE 18 3HD1 ILE 18 -0.371 4.629 5.482 472 HD12 ILE 18 1HD1 ILE 18 -0.486 2.872 5.388 473 HD13 ILE 18 2HD1 ILE 18 1.078 3.638 5.658 474 H TYR 19 H TYR 19 -0.945 7.056 9.164 475 HA TYR 19 HA TYR 19 -3.726 6.230 9.646 476 HB2 TYR 19 2HB TYR 19 -2.520 9.009 9.649 477 HB3 TYR 19 1HB TYR 19 -4.211 8.631 9.950 478 HD1 TYR 19 1HD TYR 19 -4.530 6.793 11.904 479 HD2 TYR 19 2HD TYR 19 -1.206 9.421 11.483 480 HE1 TYR 19 1HE TYR 19 -4.072 6.597 14.305 481 HE2 TYR 19 2HE TYR 19 -0.736 9.220 13.884 482 HH TYR 19 HH TYR 19 -2.101 6.853 15.838 483 H MET 20 H MET 20 -4.294 5.465 7.683 484 HA MET 20 HA MET 20 -3.924 7.207 5.339 485 HB2 MET 20 2HB MET 20 -4.267 5.198 3.965 486 HB3 MET 20 1HB MET 20 -2.934 4.967 5.089 487 HG2 MET 20 2HG MET 20 -4.582 3.783 6.593 488 HG3 MET 20 1HG MET 20 -5.705 3.807 5.232 489 HE1 MET 20 3HE MET 20 -3.833 1.625 2.570 490 HE2 MET 20 1HE MET 20 -3.823 3.381 2.726 491 HE3 MET 20 2HE MET 20 -5.324 2.486 2.965 492 H ASP 21 H ASP 21 -5.771 7.221 3.757 493 HA ASP 21 HA ASP 21 -8.104 8.046 5.067 494 HB2 ASP 21 2HB ASP 21 -7.398 7.588 2.208 495 HB3 ASP 21 1HB ASP 21 -9.096 7.655 2.637 496 H LYS 22 H LYS 22 -10.265 7.199 4.841 497 HA LYS 22 HA LYS 22 -10.281 4.448 5.653 498 HB2 LYS 22 2HB LYS 22 -11.687 6.048 6.819 499 HB3 LYS 22 1HB LYS 22 -12.472 6.505 5.314 500 HG2 LYS 22 2HG LYS 22 -13.445 4.267 5.142 501 HG3 LYS 22 1HG LYS 22 -12.681 3.826 6.674 502 HD2 LYS 22 2HD LYS 22 -13.930 5.604 7.807 503 HD3 LYS 22 1HD LYS 22 -14.692 6.043 6.278 504 HE2 LYS 22 2HE LYS 22 -15.679 3.779 6.166 505 HE3 LYS 22 1HE LYS 22 -14.976 3.424 7.745 506 HZ1 LYS 22 3HZ LYS 22 -17.275 4.092 7.968 507 HZ2 LYS 22 1HZ LYS 22 -16.968 5.551 7.159 508 HZ3 LYS 22 2HZ LYS 22 -16.267 5.258 8.676 509 H ASP 23 H ASP 23 -12.111 6.246 3.200 510 HA ASP 23 HA ASP 23 -13.378 4.124 2.003 511 HB2 ASP 23 2HB ASP 23 -13.944 6.427 1.480 512 HB3 ASP 23 1HB ASP 23 -12.384 6.660 0.703 513 H LEU 24 H LEU 24 -10.172 5.367 1.334 514 HA LEU 24 HA LEU 24 -9.640 3.748 -0.917 515 HB2 LEU 24 2HB LEU 24 -8.492 5.799 -0.648 516 HB3 LEU 24 1HB LEU 24 -8.010 5.394 0.984 517 HG LEU 24 HG LEU 24 -6.287 5.406 -0.977 518 HD11 LEU 24 1HD1 LEU 24 -5.830 4.924 1.343 519 HD12 LEU 24 2HD1 LEU 24 -4.967 3.790 0.300 520 HD13 LEU 24 3HD1 LEU 24 -6.435 3.280 1.144 521 HD21 LEU 24 3HD2 LEU 24 -7.685 3.713 -2.268 522 HD22 LEU 24 1HD2 LEU 24 -7.134 2.525 -1.091 523 HD23 LEU 24 2HD2 LEU 24 -5.963 3.367 -2.112 524 H LYS 25 H LYS 25 -8.485 3.529 2.478 525 HA LYS 25 HA LYS 25 -7.167 1.052 2.175 526 HB2 LYS 25 2HB LYS 25 -6.951 2.664 4.105 527 HB3 LYS 25 1HB LYS 25 -8.519 2.107 4.675 528 HG2 LYS 25 2HG LYS 25 -7.546 -0.208 4.747 529 HG3 LYS 25 1HG LYS 25 -5.975 0.541 4.446 530 HD2 LYS 25 2HD LYS 25 -5.966 0.466 6.737 531 HD3 LYS 25 1HD LYS 25 -6.674 2.061 6.470 532 HE2 LYS 25 2HE LYS 25 -8.241 -0.476 6.962 533 HE3 LYS 25 1HE LYS 25 -7.866 0.727 8.195 534 HZ1 LYS 25 3HZ LYS 25 -9.480 1.214 5.747 535 HZ2 LYS 25 1HZ LYS 25 -9.152 2.347 6.959 536 HZ3 LYS 25 2HZ LYS 25 -10.104 0.986 7.304 537 H THR 26 H THR 26 -10.458 1.965 2.750 538 HA THR 26 HA THR 26 -11.346 -0.631 3.595 539 HB THR 26 HB THR 26 -12.791 1.944 2.984 540 HG1 THR 26 1HG THR 26 -13.236 1.019 5.421 541 HG21 THR 26 3HG2 THR 26 -14.013 -0.681 3.879 542 HG22 THR 26 1HG2 THR 26 -14.290 0.119 2.332 543 HG23 THR 26 2HG2 THR 26 -14.846 0.873 3.826 544 H ARG 27 H ARG 27 -11.410 1.223 0.612 545 HA ARG 27 HA ARG 27 -12.885 -0.506 -0.992 546 HB2 ARG 27 2HB ARG 27 -12.274 1.465 -2.062 547 HB3 ARG 27 1HB ARG 27 -10.627 1.399 -1.469 548 HG2 ARG 27 2HG ARG 27 -10.706 1.084 -3.867 549 HG3 ARG 27 1HG ARG 27 -10.113 -0.366 -3.048 550 HD2 ARG 27 2HD ARG 27 -11.698 -0.868 -4.887 551 HD3 ARG 27 1HD ARG 27 -12.251 -1.452 -3.317 552 HE ARG 27 HE ARG 27 -13.258 1.162 -4.061 553 HH11 ARG 27 1HH1 ARG 27 -13.777 -2.314 -4.259 554 HH12 ARG 27 2HH1 ARG 27 -15.499 -2.165 -4.430 555 HH21 ARG 27 1HH2 ARG 27 -15.513 1.345 -4.279 556 HH22 ARG 27 2HH2 ARG 27 -16.494 -0.078 -4.458 557 H LEU 28 H LEU 28 -9.417 -0.485 -0.318 558 HA LEU 28 HA LEU 28 -8.780 -2.891 -1.592 559 HB2 LEU 28 2HB LEU 28 -7.211 -1.123 -0.827 560 HB3 LEU 28 1HB LEU 28 -7.452 -1.664 0.821 561 HG LEU 28 HG LEU 28 -5.338 -2.409 -0.353 562 HD11 LEU 28 1HD1 LEU 28 -6.270 -3.376 1.712 563 HD12 LEU 28 2HD1 LEU 28 -5.345 -4.526 0.740 564 HD13 LEU 28 3HD1 LEU 28 -7.112 -4.575 0.728 565 HD21 LEU 28 3HD2 LEU 28 -6.340 -2.968 -2.499 566 HD22 LEU 28 1HD2 LEU 28 -7.285 -4.248 -1.736 567 HD23 LEU 28 2HD2 LEU 28 -5.524 -4.366 -1.796 568 H LYS 29 H LYS 29 -9.927 -2.223 1.686 569 HA LYS 29 HA LYS 29 -9.695 -4.784 2.772 570 HB2 LYS 29 2HB LYS 29 -10.270 -2.786 4.088 571 HB3 LYS 29 1HB LYS 29 -11.830 -2.704 3.284 572 HG2 LYS 29 2HG LYS 29 -11.081 -5.160 4.807 573 HG3 LYS 29 1HG LYS 29 -11.629 -3.721 5.665 574 HD2 LYS 29 2HD LYS 29 -13.719 -3.741 4.494 575 HD3 LYS 29 1HD LYS 29 -13.161 -5.024 3.419 576 HE2 LYS 29 2HE LYS 29 -14.675 -5.850 5.181 577 HE3 LYS 29 1HE LYS 29 -13.075 -6.586 5.257 578 HZ1 LYS 29 3HZ LYS 29 -13.892 -5.963 7.451 579 HZ2 LYS 29 1HZ LYS 29 -14.025 -4.342 6.964 580 HZ3 LYS 29 2HZ LYS 29 -12.500 -5.082 7.052 581 H VAL 30 H VAL 30 -12.203 -3.360 0.777 582 HA VAL 30 HA VAL 30 -13.908 -5.630 0.768 583 HB VAL 30 HB VAL 30 -13.703 -3.314 -1.133 584 HG11 VAL 30 1HG1 VAL 30 -15.886 -5.371 -0.831 585 HG12 VAL 30 2HG1 VAL 30 -14.828 -5.157 -2.226 586 HG13 VAL 30 3HG1 VAL 30 -15.998 -3.906 -1.808 587 HG21 VAL 30 3HG2 VAL 30 -15.556 -2.397 0.142 588 HG22 VAL 30 1HG2 VAL 30 -14.178 -2.733 1.196 589 HG23 VAL 30 2HG2 VAL 30 -15.562 -3.826 1.180 590 H TYR 31 H TYR 31 -11.255 -4.563 -1.174 591 HA TYR 31 HA TYR 31 -11.402 -6.484 -3.220 592 HB2 TYR 31 2HB TYR 31 -9.970 -4.555 -3.433 593 HB3 TYR 31 1HB TYR 31 -9.064 -5.011 -1.992 594 HD1 TYR 31 1HD TYR 31 -9.806 -6.039 -5.473 595 HD2 TYR 31 2HD TYR 31 -7.219 -6.432 -2.126 596 HE1 TYR 31 1HE TYR 31 -8.212 -7.275 -6.855 597 HE2 TYR 31 2HE TYR 31 -5.617 -7.670 -3.501 598 HH TYR 31 HH TYR 31 -5.571 -8.998 -5.542 599 H CYS 32 H CYS 32 -9.980 -6.462 -0.004 600 HA CYS 32 HA CYS 32 -8.807 -9.061 -0.193 601 HB2 CYS 32 2HB CYS 32 -9.524 -7.430 2.243 602 HB3 CYS 32 1HB CYS 32 -8.497 -8.857 2.237 603 HG CYS 32 HG CYS 32 -7.816 -5.832 0.809 604 H ALA 33 H ALA 33 -11.939 -7.855 0.577 605 HA ALA 33 HA ALA 33 -12.881 -10.276 1.803 606 HB1 ALA 33 1HB ALA 33 -13.862 -8.093 2.335 607 HB2 ALA 33 2HB ALA 33 -15.074 -9.204 1.694 608 HB3 ALA 33 3HB ALA 33 -14.409 -7.935 0.666 609 H LYS 34 H LYS 34 -12.898 -8.806 -1.367 610 HA LYS 34 HA LYS 34 -14.654 -10.660 -2.583 611 HB2 LYS 34 2HB LYS 34 -14.331 -8.386 -3.446 612 HB3 LYS 34 1HB LYS 34 -12.652 -8.755 -3.806 613 HG2 LYS 34 2HG LYS 34 -13.419 -10.472 -5.408 614 HG3 LYS 34 1HG LYS 34 -15.077 -9.974 -5.087 615 HD2 LYS 34 2HD LYS 34 -12.934 -8.122 -6.118 616 HD3 LYS 34 1HD LYS 34 -14.066 -8.989 -7.154 617 HE2 LYS 34 2HE LYS 34 -15.158 -6.994 -6.952 618 HE3 LYS 34 1HE LYS 34 -15.853 -7.862 -5.587 619 HZ1 LYS 34 3HZ LYS 34 -14.180 -6.763 -4.158 620 HZ2 LYS 34 1HZ LYS 34 -15.235 -5.666 -4.901 621 HZ3 LYS 34 2HZ LYS 34 -13.659 -5.853 -5.492 622 H ASN 35 H ASN 35 -11.138 -10.346 -2.506 623 HA ASN 35 HA ASN 35 -10.885 -12.848 -3.999 624 HB2 ASN 35 2HB ASN 35 -8.830 -10.852 -3.044 625 HB3 ASN 35 1HB ASN 35 -8.428 -12.347 -3.879 626 HD21 ASN 35 1HD2 ASN 35 -9.862 -9.193 -4.178 627 HD22 ASN 35 2HD2 ASN 35 -9.872 -9.153 -5.916 628 H ASN 36 H ASN 36 -11.512 -12.102 -0.949 629 HA ASN 36 HA ASN 36 -11.075 -12.928 1.130 630 HB2 ASN 36 2HB ASN 36 -10.609 -15.286 -0.651 631 HB3 ASN 36 1HB ASN 36 -10.305 -15.437 1.077 632 HD21 ASN 36 1HD2 ASN 36 -12.053 -15.507 2.486 633 HD22 ASN 36 2HD2 ASN 36 -13.710 -15.607 1.946 634 H LEU 37 H LEU 37 -8.893 -11.615 -0.383 635 HA LEU 37 HA LEU 37 -6.415 -12.798 0.381 636 HB2 LEU 37 2HB LEU 37 -7.321 -10.459 -1.051 637 HB3 LEU 37 1HB LEU 37 -6.030 -10.047 0.061 638 HG LEU 37 HG LEU 37 -4.582 -11.731 -0.973 639 HD11 LEU 37 1HD1 LEU 37 -5.243 -12.855 -3.015 640 HD12 LEU 37 2HD1 LEU 37 -6.845 -12.122 -2.921 641 HD13 LEU 37 3HD1 LEU 37 -6.334 -13.283 -1.696 642 HD21 LEU 37 3HD2 LEU 37 -5.826 -9.785 -2.911 643 HD22 LEU 37 1HD2 LEU 37 -4.262 -10.575 -3.115 644 HD23 LEU 37 2HD2 LEU 37 -4.512 -9.446 -1.783 645 H GLN 38 H GLN 38 -4.845 -11.691 1.775 646 HA GLN 38 HA GLN 38 -6.041 -10.803 4.263 647 HB2 GLN 38 2HB GLN 38 -3.150 -11.200 3.485 648 HB3 GLN 38 1HB GLN 38 -3.706 -10.738 5.087 649 HG2 GLN 38 2HG GLN 38 -4.884 -12.841 5.308 650 HG3 GLN 38 1HG GLN 38 -4.391 -13.298 3.678 651 HE21 GLN 38 1HE2 GLN 38 -3.261 -15.109 4.337 652 HE22 GLN 38 2HE2 GLN 38 -1.767 -15.005 5.209 653 H LEU 39 H LEU 39 -6.102 -8.717 4.918 654 HA LEU 39 HA LEU 39 -5.892 -6.540 3.305 655 HB2 LEU 39 2HB LEU 39 -6.152 -6.985 6.076 656 HB3 LEU 39 1HB LEU 39 -4.907 -5.771 5.881 657 HG LEU 39 HG LEU 39 -6.924 -4.587 6.164 658 HD11 LEU 39 1HD1 LEU 39 -6.364 -4.716 3.210 659 HD12 LEU 39 2HD1 LEU 39 -5.542 -3.689 4.385 660 HD13 LEU 39 3HD1 LEU 39 -7.253 -3.437 4.035 661 HD21 LEU 39 3HD2 LEU 39 -8.945 -5.006 4.868 662 HD22 LEU 39 1HD2 LEU 39 -8.466 -6.433 5.787 663 HD23 LEU 39 2HD2 LEU 39 -8.149 -6.352 4.054 664 H THR 40 H THR 40 -3.292 -7.718 5.417 665 HA THR 40 HA THR 40 -1.372 -5.848 4.699 666 HB THR 40 HB THR 40 -0.716 -8.693 5.403 667 HG1 THR 40 1HG THR 40 -1.526 -8.422 7.336 668 HG21 THR 40 3HG2 THR 40 1.157 -7.667 6.597 669 HG22 THR 40 1HG2 THR 40 0.601 -6.070 6.098 670 HG23 THR 40 2HG2 THR 40 1.166 -7.226 4.889 671 H GLN 41 H GLN 41 -1.933 -9.107 3.404 672 HA GLN 41 HA GLN 41 0.169 -9.196 1.593 673 HB2 GLN 41 2HB GLN 41 -1.385 -11.066 2.268 674 HB3 GLN 41 1HB GLN 41 -2.568 -10.394 1.154 675 HG2 GLN 41 2HG GLN 41 -0.978 -10.710 -0.696 676 HG3 GLN 41 1HG GLN 41 0.166 -11.433 0.434 677 HE21 GLN 41 1HE2 GLN 41 -2.792 -11.861 -1.314 678 HE22 GLN 41 2HE2 GLN 41 -2.970 -13.560 -1.018 679 H ALA 42 H ALA 42 -3.031 -7.776 1.291 680 HA ALA 42 HA ALA 42 -2.868 -7.160 -1.493 681 HB1 ALA 42 1HB ALA 42 -4.986 -7.348 -0.307 682 HB2 ALA 42 2HB ALA 42 -4.812 -5.775 -1.086 683 HB3 ALA 42 3HB ALA 42 -4.572 -5.930 0.654 684 H ILE 43 H ILE 43 -2.303 -5.245 1.477 685 HA ILE 43 HA ILE 43 -1.605 -2.838 0.222 686 HB ILE 43 HB ILE 43 -1.060 -4.045 2.876 687 HG12 ILE 43 2HG1 ILE 43 -1.790 -1.766 3.613 688 HG13 ILE 43 1HG1 ILE 43 -1.982 -1.334 1.920 689 HG21 ILE 43 1HG2 ILE 43 1.182 -3.379 2.224 690 HG22 ILE 43 2HG2 ILE 43 0.562 -2.351 3.522 691 HG23 ILE 43 3HG2 ILE 43 0.604 -1.746 1.862 692 HD11 ILE 43 3HD1 ILE 43 -3.631 -3.170 1.701 693 HD12 ILE 43 1HD1 ILE 43 -4.113 -1.898 2.825 694 HD13 ILE 43 2HD1 ILE 43 -3.497 -3.429 3.442 695 H GLU 44 H GLU 44 0.379 -5.609 1.110 696 HA GLU 44 HA GLU 44 2.844 -4.547 0.293 697 HB2 GLU 44 2HB GLU 44 1.956 -7.431 0.453 698 HB3 GLU 44 1HB GLU 44 3.622 -6.902 0.275 699 HG2 GLU 44 2HG GLU 44 3.489 -5.773 2.432 700 HG3 GLU 44 1HG GLU 44 1.821 -6.299 2.608 701 H GLU 45 H GLU 45 0.510 -6.583 -1.456 702 HA GLU 45 HA GLU 45 1.934 -6.667 -3.884 703 HB2 GLU 45 2HB GLU 45 -1.043 -6.794 -3.355 704 HB3 GLU 45 1HB GLU 45 -0.312 -7.106 -4.923 705 HG2 GLU 45 2HG GLU 45 0.175 -8.678 -2.400 706 HG3 GLU 45 1HG GLU 45 -0.844 -9.168 -3.752 707 H ALA 46 H ALA 46 -0.352 -4.359 -2.525 708 HA ALA 46 HA ALA 46 -0.701 -2.768 -4.809 709 HB1 ALA 46 1HB ALA 46 -1.547 -1.083 -3.302 710 HB2 ALA 46 2HB ALA 46 -0.779 -1.882 -1.921 711 HB3 ALA 46 3HB ALA 46 -2.110 -2.670 -2.769 712 H ILE 47 H ILE 47 1.440 -2.355 -2.012 713 HA ILE 47 HA ILE 47 2.685 -0.056 -3.044 714 HB ILE 47 HB ILE 47 2.442 -0.650 -0.624 715 HG12 ILE 47 2HG1 ILE 47 5.180 0.059 -1.673 716 HG13 ILE 47 1HG1 ILE 47 3.884 1.160 -1.230 717 HG21 ILE 47 1HG2 ILE 47 3.035 -2.961 -0.650 718 HG22 ILE 47 2HG2 ILE 47 4.166 -2.085 0.391 719 HG23 ILE 47 3HG2 ILE 47 4.659 -2.574 -1.235 720 HD11 ILE 47 3HD1 ILE 47 5.539 1.145 0.496 721 HD12 ILE 47 1HD1 ILE 47 5.426 -0.612 0.644 722 HD13 ILE 47 2HD1 ILE 47 4.055 0.402 1.097 723 H LYS 48 H LYS 48 3.282 -3.459 -3.352 724 HA LYS 48 HA LYS 48 5.978 -3.326 -4.238 725 HB2 LYS 48 2HB LYS 48 5.030 -5.417 -3.453 726 HB3 LYS 48 1HB LYS 48 3.792 -5.362 -4.693 727 HG2 LYS 48 2HG LYS 48 5.177 -6.843 -5.681 728 HG3 LYS 48 1HG LYS 48 5.931 -5.366 -6.277 729 HD2 LYS 48 2HD LYS 48 6.816 -6.764 -3.760 730 HD3 LYS 48 1HD LYS 48 7.489 -7.126 -5.347 731 HE2 LYS 48 2HE LYS 48 8.127 -4.730 -5.555 732 HE3 LYS 48 1HE LYS 48 7.587 -4.488 -3.896 733 HZ1 LYS 48 3HZ LYS 48 9.212 -6.170 -3.189 734 HZ2 LYS 48 1HZ LYS 48 9.965 -4.855 -3.955 735 HZ3 LYS 48 2HZ LYS 48 9.750 -6.314 -4.789 736 H GLU 49 H GLU 49 2.911 -3.716 -5.996 737 HA GLU 49 HA GLU 49 4.173 -3.493 -8.543 738 HB2 GLU 49 2HB GLU 49 1.313 -3.584 -7.598 739 HB3 GLU 49 1HB GLU 49 1.655 -3.112 -9.254 740 HG2 GLU 49 2HG GLU 49 2.406 -5.226 -9.856 741 HG3 GLU 49 1HG GLU 49 2.802 -5.669 -8.193 742 H TYR 50 H TYR 50 3.400 -1.243 -6.235 743 HA TYR 50 HA TYR 50 2.791 0.937 -7.966 744 HB2 TYR 50 2HB TYR 50 1.863 0.977 -5.779 745 HB3 TYR 50 1HB TYR 50 3.433 0.682 -5.040 746 HD1 TYR 50 2HD TYR 50 1.671 3.213 -7.147 747 HD2 TYR 50 1HD TYR 50 4.573 2.415 -4.145 748 HE1 TYR 50 2HE TYR 50 1.948 5.624 -6.791 749 HE2 TYR 50 1HE TYR 50 4.850 4.830 -3.751 750 HH TYR 50 HH TYR 50 4.501 6.981 -5.197 751 H LEU 51 H LEU 51 5.573 -0.105 -6.030 752 HA LEU 51 HA LEU 51 7.312 1.945 -6.810 753 HB2 LEU 51 2HB LEU 51 7.631 -0.738 -5.622 754 HB3 LEU 51 1HB LEU 51 9.040 -0.066 -6.408 755 HG LEU 51 HG LEU 51 9.493 0.927 -4.473 756 HD11 LEU 51 1HD1 LEU 51 8.654 2.871 -5.631 757 HD12 LEU 51 2HD1 LEU 51 8.298 2.980 -3.907 758 HD13 LEU 51 3HD1 LEU 51 7.023 2.544 -5.045 759 HD21 LEU 51 3HD2 LEU 51 7.847 1.032 -2.599 760 HD22 LEU 51 1HD2 LEU 51 8.150 -0.589 -3.235 761 HD23 LEU 51 2HD2 LEU 51 6.671 0.270 -3.680 762 H GLN 52 H GLN 52 6.600 -1.159 -8.323 763 HA GLN 52 HA GLN 52 8.710 -0.832 -10.251 764 HB2 GLN 52 2HB GLN 52 6.534 -2.834 -9.848 765 HB3 GLN 52 1HB GLN 52 7.300 -2.738 -11.428 766 HG2 GLN 52 2HG GLN 52 8.402 -4.423 -10.162 767 HG3 GLN 52 1HG GLN 52 9.498 -3.050 -10.321 768 HE21 GLN 52 1HE2 GLN 52 7.559 -4.939 -8.189 769 HE22 GLN 52 2HE2 GLN 52 8.161 -4.270 -6.715 770 H LYS 53 H LYS 53 5.338 -0.044 -10.095 771 HA LYS 53 HA LYS 53 5.076 0.575 -12.883 772 HB2 LYS 53 2HB LYS 53 3.181 -0.042 -11.337 773 HB3 LYS 53 1HB LYS 53 3.355 1.545 -10.604 774 HG2 LYS 53 2HG LYS 53 2.825 2.604 -12.718 775 HG3 LYS 53 1HG LYS 53 2.711 1.024 -13.496 776 HD2 LYS 53 2HD LYS 53 0.491 1.716 -13.005 777 HD3 LYS 53 1HD LYS 53 0.907 0.455 -11.843 778 HE2 LYS 53 2HE LYS 53 -0.222 2.213 -10.675 779 HE3 LYS 53 1HE LYS 53 1.478 2.241 -10.208 780 HZ1 LYS 53 3HZ LYS 53 1.836 4.067 -11.756 781 HZ2 LYS 53 1HZ LYS 53 0.636 4.463 -10.622 782 HZ3 LYS 53 2HZ LYS 53 0.202 4.031 -12.209 783 H ARG 54 H ARG 54 6.505 2.055 -10.227 784 HA ARG 54 HA ARG 54 6.181 4.729 -11.365 785 HB2 ARG 54 2HB ARG 54 5.647 3.972 -8.863 786 HB3 ARG 54 1HB ARG 54 7.361 4.296 -8.670 787 HG2 ARG 54 2HG ARG 54 6.554 6.368 -8.171 788 HG3 ARG 54 1HG ARG 54 6.654 6.538 -9.930 789 HD2 ARG 54 2HD ARG 54 4.338 6.005 -10.180 790 HD3 ARG 54 1HD ARG 54 4.199 5.606 -8.472 791 HE ARG 54 HE ARG 54 5.057 8.302 -8.932 792 HH11 ARG 54 1HH1 ARG 54 2.287 6.197 -8.704 793 HH12 ARG 54 2HH1 ARG 54 1.182 7.463 -8.291 794 HH21 ARG 54 1HH2 ARG 54 3.609 10.001 -8.413 795 HH22 ARG 54 2HH2 ARG 54 1.930 9.631 -8.136 796 H ASN 55 H ASN 55 8.660 3.122 -9.375 797 HA ASN 55 HA ASN 55 10.755 3.161 -11.163 798 HB2 ASN 55 2HB ASN 55 12.046 5.177 -10.154 799 HB3 ASN 55 1HB ASN 55 10.866 5.465 -11.423 800 HD21 ASN 55 1HD2 ASN 55 10.582 7.588 -10.839 801 HD22 ASN 55 2HD2 ASN 55 9.727 8.056 -9.410 802 H GLY 56 H GLY 56 10.360 4.252 -7.772 803 HA2 GLY 56 2HA GLY 56 10.912 2.737 -5.958 804 HA3 GLY 56 1HA GLY 56 12.141 2.036 -6.999 Start of MODEL 2 1 H LYS 11 H LYS 11 -9.164 14.929 3.302 2 HA LYS 11 HA LYS 11 -8.720 12.630 3.912 3 HB2 LYS 11 2HB LYS 11 -7.056 14.289 4.427 4 HB3 LYS 11 1HB LYS 11 -7.921 14.792 5.869 5 HG2 LYS 11 2HG LYS 11 -5.956 13.484 6.427 6 HG3 LYS 11 1HG LYS 11 -7.425 12.653 6.927 7 HD2 LYS 11 2HD LYS 11 -6.005 11.009 5.969 8 HD3 LYS 11 1HD LYS 11 -7.266 11.331 4.780 9 HE2 LYS 11 2HE LYS 11 -5.754 12.771 3.536 10 HE3 LYS 11 1HE LYS 11 -4.498 12.534 4.750 11 HZ1 LYS 11 2HZ LYS 11 -4.416 10.197 4.181 12 HZ2 LYS 11 3HZ LYS 11 -4.180 11.124 2.787 13 HZ3 LYS 11 1HZ LYS 11 -5.676 10.381 3.068 14 H GLN 12 H GLN 12 -10.809 11.624 4.369 15 HA GLN 12 HA GLN 12 -11.515 11.445 7.178 16 HB2 GLN 12 2HB GLN 12 -13.056 9.640 6.468 17 HB3 GLN 12 1HB GLN 12 -13.329 11.142 5.598 18 HG2 GLN 12 2HG GLN 12 -12.265 10.281 3.641 19 HG3 GLN 12 1HG GLN 12 -11.732 8.840 4.505 20 HE21 GLN 12 1HE2 GLN 12 -14.894 10.247 4.937 21 HE22 GLN 12 2HE2 GLN 12 -15.779 8.972 4.176 22 H LYS 13 H LYS 13 -10.560 10.065 8.586 23 HA LYS 13 HA LYS 13 -8.338 8.594 7.323 24 HB2 LYS 13 2HB LYS 13 -6.952 9.181 9.225 25 HB3 LYS 13 1HB LYS 13 -7.599 10.629 8.480 26 HG2 LYS 13 2HG LYS 13 -9.232 10.856 10.229 27 HG3 LYS 13 1HG LYS 13 -8.745 9.314 10.936 28 HD2 LYS 13 2HD LYS 13 -6.488 10.259 11.332 29 HD3 LYS 13 1HD LYS 13 -7.066 11.813 10.727 30 HE2 LYS 13 2HE LYS 13 -7.086 11.739 13.171 31 HE3 LYS 13 1HE LYS 13 -8.713 11.919 12.522 32 HZ1 LYS 13 3HZ LYS 13 -7.482 9.425 13.574 33 HZ2 LYS 13 1HZ LYS 13 -9.004 9.496 12.825 34 HZ3 LYS 13 2HZ LYS 13 -8.736 10.317 14.281 35 H ALA 14 H ALA 14 -7.635 6.715 8.110 36 HA ALA 14 HA ALA 14 -8.860 5.573 10.512 37 HB1 ALA 14 1HB ALA 14 -9.024 3.392 9.397 38 HB2 ALA 14 2HB ALA 14 -8.548 4.141 7.870 39 HB3 ALA 14 3HB ALA 14 -10.071 4.593 8.642 40 H VAL 15 H VAL 15 -7.529 3.645 11.221 41 HA VAL 15 HA VAL 15 -4.690 4.285 10.737 42 HB VAL 15 HB VAL 15 -5.596 2.528 12.973 43 HG11 VAL 15 1HG1 VAL 15 -3.224 2.681 12.545 44 HG12 VAL 15 2HG1 VAL 15 -3.615 3.439 14.089 45 HG13 VAL 15 3HG1 VAL 15 -3.297 4.439 12.672 46 HG21 VAL 15 3HG2 VAL 15 -7.023 4.469 13.181 47 HG22 VAL 15 1HG2 VAL 15 -5.624 5.538 13.045 48 HG23 VAL 15 2HG2 VAL 15 -5.798 4.480 14.449 49 H PHE 16 H PHE 16 -3.212 2.440 10.757 50 HA PHE 16 HA PHE 16 -4.350 -0.134 10.073 51 HB2 PHE 16 2HB PHE 16 -4.139 1.428 7.975 52 HB3 PHE 16 1HB PHE 16 -2.428 1.041 8.099 53 HD1 PHE 16 1HD PHE 16 -5.508 -0.981 8.602 54 HD2 PHE 16 2HD PHE 16 -1.872 -0.465 6.450 55 HE1 PHE 16 1HE PHE 16 -5.926 -3.086 7.398 56 HE2 PHE 16 2HE PHE 16 -2.288 -2.569 5.241 57 HZ PHE 16 HZ PHE 16 -4.309 -3.882 5.721 58 H GLY 17 H GLY 17 -3.165 -1.608 11.050 59 HA2 GLY 17 2HA GLY 17 -0.289 -1.053 11.476 60 HA3 GLY 17 1HA GLY 17 -1.306 -1.630 12.790 61 H ILE 18 H ILE 18 0.461 -2.483 9.959 62 HA ILE 18 HA ILE 18 -0.387 -5.288 10.275 63 HB ILE 18 HB ILE 18 -0.062 -5.582 7.851 64 HG12 ILE 18 2HG1 ILE 18 0.056 -2.563 7.726 65 HG13 ILE 18 1HG1 ILE 18 1.482 -3.590 7.601 66 HG21 ILE 18 1HG2 ILE 18 -2.276 -5.226 8.742 67 HG22 ILE 18 2HG2 ILE 18 -2.128 -4.414 7.182 68 HG23 ILE 18 3HG2 ILE 18 -2.049 -3.478 8.676 69 HD11 ILE 18 3HD1 ILE 18 -0.877 -3.573 5.737 70 HD12 ILE 18 1HD1 ILE 18 0.532 -4.624 5.599 71 HD13 ILE 18 2HD1 ILE 18 0.712 -2.880 5.420 72 H TYR 19 H TYR 19 1.206 -6.792 9.128 73 HA TYR 19 HA TYR 19 3.949 -5.899 9.690 74 HB2 TYR 19 2HB TYR 19 2.825 -8.706 9.879 75 HB3 TYR 19 1HB TYR 19 4.491 -8.244 10.208 76 HD1 TYR 19 1HD TYR 19 4.766 -6.359 12.055 77 HD2 TYR 19 2HD TYR 19 1.352 -8.881 11.661 78 HE1 TYR 19 1HE TYR 19 4.191 -5.941 14.400 79 HE2 TYR 19 2HE TYR 19 0.768 -8.457 14.014 80 HH TYR 19 HH TYR 19 1.955 -7.757 16.119 81 H MET 20 H MET 20 4.675 -5.324 7.751 82 HA MET 20 HA MET 20 4.223 -7.118 5.453 83 HB2 MET 20 2HB MET 20 4.559 -5.146 4.023 84 HB3 MET 20 1HB MET 20 3.233 -4.893 5.150 85 HG2 MET 20 2HG MET 20 4.912 -3.676 6.614 86 HG3 MET 20 1HG MET 20 5.996 -3.709 5.221 87 HE1 MET 20 3HE MET 20 3.985 -3.354 2.782 88 HE2 MET 20 1HE MET 20 5.493 -2.445 2.920 89 HE3 MET 20 2HE MET 20 3.977 -1.603 2.586 90 H ASP 21 H ASP 21 6.049 -7.109 3.814 91 HA ASP 21 HA ASP 21 8.405 -7.927 5.097 92 HB2 ASP 21 2HB ASP 21 7.700 -7.446 2.231 93 HB3 ASP 21 1HB ASP 21 9.374 -7.698 2.686 94 H LYS 22 H LYS 22 10.551 -7.097 4.861 95 HA LYS 22 HA LYS 22 10.613 -4.311 5.503 96 HB2 LYS 22 2HB LYS 22 12.100 -5.809 6.695 97 HB3 LYS 22 1HB LYS 22 12.815 -6.363 5.185 98 HG2 LYS 22 2HG LYS 22 13.648 -4.062 4.793 99 HG3 LYS 22 1HG LYS 22 13.046 -3.618 6.392 100 HD2 LYS 22 2HD LYS 22 14.540 -5.183 7.446 101 HD3 LYS 22 1HD LYS 22 15.046 -5.815 5.877 102 HE2 LYS 22 2HE LYS 22 15.995 -3.634 5.303 103 HE3 LYS 22 1HE LYS 22 15.486 -2.998 6.868 104 HZ1 LYS 22 3HZ LYS 22 17.828 -3.632 6.850 105 HZ2 LYS 22 1HZ LYS 22 17.407 -5.229 6.472 106 HZ3 LYS 22 2HZ LYS 22 16.944 -4.559 7.959 107 H ASP 23 H ASP 23 12.430 -6.195 3.083 108 HA ASP 23 HA ASP 23 13.583 -4.111 1.733 109 HB2 ASP 23 2HB ASP 23 14.203 -6.402 1.278 110 HB3 ASP 23 1HB ASP 23 12.613 -6.736 0.601 111 H LEU 24 H LEU 24 10.313 -5.247 1.438 112 HA LEU 24 HA LEU 24 9.728 -3.767 -0.937 113 HB2 LEU 24 2HB LEU 24 8.622 -5.835 -0.570 114 HB3 LEU 24 1HB LEU 24 8.150 -5.365 1.049 115 HG LEU 24 HG LEU 24 6.422 -5.463 -0.919 116 HD11 LEU 24 1HD1 LEU 24 6.561 -3.323 1.184 117 HD12 LEU 24 2HD1 LEU 24 5.944 -4.963 1.376 118 HD13 LEU 24 3HD1 LEU 24 5.095 -3.819 0.332 119 HD21 LEU 24 3HD2 LEU 24 6.062 -3.447 -2.089 120 HD22 LEU 24 1HD2 LEU 24 7.786 -3.777 -2.255 121 HD23 LEU 24 2HD2 LEU 24 7.231 -2.569 -1.098 122 H LYS 25 H LYS 25 8.642 -3.485 2.483 123 HA LYS 25 HA LYS 25 7.359 -0.995 2.173 124 HB2 LYS 25 2HB LYS 25 7.194 -2.592 4.135 125 HB3 LYS 25 1HB LYS 25 8.767 -2.007 4.659 126 HG2 LYS 25 2HG LYS 25 7.774 0.297 4.711 127 HG3 LYS 25 1HG LYS 25 6.207 -0.467 4.449 128 HD2 LYS 25 2HD LYS 25 6.212 -0.363 6.731 129 HD3 LYS 25 1HD LYS 25 6.965 -1.945 6.493 130 HE2 LYS 25 2HE LYS 25 8.470 0.644 6.897 131 HE3 LYS 25 1HE LYS 25 8.123 -0.518 8.173 132 HZ1 LYS 25 3HZ LYS 25 10.365 -0.775 7.276 133 HZ2 LYS 25 1HZ LYS 25 9.728 -1.081 5.736 134 HZ3 LYS 25 2HZ LYS 25 9.433 -2.160 7.000 135 H THR 26 H THR 26 10.644 -1.956 2.706 136 HA THR 26 HA THR 26 11.626 0.636 3.460 137 HB THR 26 HB THR 26 13.042 -1.946 2.778 138 HG1 THR 26 1HG THR 26 13.248 -0.852 5.310 139 HG21 THR 26 3HG2 THR 26 14.515 -0.052 2.252 140 HG22 THR 26 1HG2 THR 26 15.078 -0.912 3.685 141 HG23 THR 26 2HG2 THR 26 14.227 0.624 3.855 142 H ARG 27 H ARG 27 11.507 -1.305 0.563 143 HA ARG 27 HA ARG 27 12.952 0.254 -1.216 144 HB2 ARG 27 2HB ARG 27 12.077 -1.792 -2.013 145 HB3 ARG 27 1HB ARG 27 10.453 -1.405 -1.478 146 HG2 ARG 27 2HG ARG 27 10.495 -1.306 -3.845 147 HG3 ARG 27 1HG ARG 27 10.350 0.339 -3.215 148 HD2 ARG 27 2HD ARG 27 11.923 0.290 -5.066 149 HD3 ARG 27 1HD ARG 27 12.771 0.662 -3.565 150 HE ARG 27 HE ARG 27 12.874 -2.112 -3.977 151 HH11 ARG 27 1HH1 ARG 27 14.098 0.803 -5.509 152 HH12 ARG 27 2HH1 ARG 27 15.557 0.030 -6.056 153 HH21 ARG 27 1HH2 ARG 27 14.791 -3.093 -4.678 154 HH22 ARG 27 2HH2 ARG 27 15.959 -2.173 -5.577 155 H LEU 28 H LEU 28 9.525 0.441 -0.440 156 HA LEU 28 HA LEU 28 8.943 2.857 -1.693 157 HB2 LEU 28 2HB LEU 28 7.358 1.139 -0.847 158 HB3 LEU 28 1HB LEU 28 7.663 1.707 0.781 159 HG LEU 28 HG LEU 28 5.534 2.468 -0.373 160 HD11 LEU 28 1HD1 LEU 28 5.616 4.613 0.704 161 HD12 LEU 28 2HD1 LEU 28 7.381 4.574 0.711 162 HD13 LEU 28 3HD1 LEU 28 6.470 3.417 1.686 163 HD21 LEU 28 3HD2 LEU 28 6.528 3.015 -2.533 164 HD22 LEU 28 1HD2 LEU 28 7.492 4.284 -1.776 165 HD23 LEU 28 2HD2 LEU 28 5.734 4.419 -1.821 166 H LYS 29 H LYS 29 10.151 2.213 1.592 167 HA LYS 29 HA LYS 29 9.985 4.779 2.646 168 HB2 LYS 29 2HB LYS 29 10.619 2.964 4.073 169 HB3 LYS 29 1HB LYS 29 12.030 2.610 3.089 170 HG2 LYS 29 2HG LYS 29 11.827 5.266 4.430 171 HG3 LYS 29 1HG LYS 29 12.266 3.844 5.377 172 HD2 LYS 29 2HD LYS 29 14.159 3.414 3.943 173 HD3 LYS 29 1HD LYS 29 13.678 4.718 2.855 174 HE2 LYS 29 2HE LYS 29 14.030 6.339 4.657 175 HE3 LYS 29 1HE LYS 29 14.517 5.033 5.736 176 HZ1 LYS 29 3HZ LYS 29 16.384 4.569 4.271 177 HZ2 LYS 29 1HZ LYS 29 16.428 6.177 4.800 178 HZ3 LYS 29 2HZ LYS 29 15.910 5.815 3.229 179 H VAL 30 H VAL 30 12.478 3.342 0.632 180 HA VAL 30 HA VAL 30 14.186 5.584 0.576 181 HB VAL 30 HB VAL 30 13.888 3.321 -1.377 182 HG11 VAL 30 1HG1 VAL 30 16.145 5.291 -1.038 183 HG12 VAL 30 2HG1 VAL 30 15.048 5.186 -2.415 184 HG13 VAL 30 3HG1 VAL 30 16.176 3.871 -2.084 185 HG21 VAL 30 3HG2 VAL 30 14.377 2.635 0.913 186 HG22 VAL 30 1HG2 VAL 30 15.775 3.709 0.938 187 HG23 VAL 30 2HG2 VAL 30 15.748 2.326 -0.158 188 H TYR 31 H TYR 31 11.474 4.585 -1.315 189 HA TYR 31 HA TYR 31 11.638 6.508 -3.360 190 HB2 TYR 31 2HB TYR 31 10.205 4.546 -3.533 191 HB3 TYR 31 1HB TYR 31 9.263 5.079 -2.143 192 HD1 TYR 31 1HD TYR 31 10.194 6.039 -5.602 193 HD2 TYR 31 2HD TYR 31 7.400 6.423 -2.430 194 HE1 TYR 31 1HE TYR 31 8.685 7.256 -7.090 195 HE2 TYR 31 2HE TYR 31 5.878 7.640 -3.910 196 HH TYR 31 HH TYR 31 5.953 8.953 -5.940 197 H CYS 32 H CYS 32 10.212 6.482 -0.145 198 HA CYS 32 HA CYS 32 9.032 9.085 -0.372 199 HB2 CYS 32 2HB CYS 32 9.633 7.409 2.067 200 HB3 CYS 32 1HB CYS 32 8.656 8.873 2.061 201 HG CYS 32 HG CYS 32 7.910 5.895 0.571 202 H ALA 33 H ALA 33 12.133 7.878 0.557 203 HA ALA 33 HA ALA 33 12.976 10.285 1.879 204 HB1 ALA 33 1HB ALA 33 14.588 7.956 0.837 205 HB2 ALA 33 2HB ALA 33 13.930 8.111 2.466 206 HB3 ALA 33 3HB ALA 33 15.180 9.226 1.909 207 H LYS 34 H LYS 34 13.240 8.861 -1.309 208 HA LYS 34 HA LYS 34 15.095 10.799 -2.282 209 HB2 LYS 34 2HB LYS 34 14.977 8.451 -3.093 210 HB3 LYS 34 1HB LYS 34 13.411 8.806 -3.804 211 HG2 LYS 34 2HG LYS 34 14.398 10.358 -5.343 212 HG3 LYS 34 1HG LYS 34 15.972 10.191 -4.559 213 HD2 LYS 34 2HD LYS 34 16.024 7.821 -5.177 214 HD3 LYS 34 1HD LYS 34 14.455 7.993 -5.964 215 HE2 LYS 34 2HE LYS 34 16.932 9.528 -6.737 216 HE3 LYS 34 1HE LYS 34 16.393 8.047 -7.526 217 HZ1 LYS 34 3HZ LYS 34 14.318 9.178 -8.110 218 HZ2 LYS 34 1HZ LYS 34 15.673 9.970 -8.762 219 HZ3 LYS 34 2HZ LYS 34 14.892 10.606 -7.400 220 H ASN 35 H ASN 35 11.604 10.324 -2.542 221 HA ASN 35 HA ASN 35 11.391 12.747 -4.173 222 HB2 ASN 35 2HB ASN 35 9.326 10.729 -3.275 223 HB3 ASN 35 1HB ASN 35 8.943 12.170 -4.204 224 HD21 ASN 35 1HD2 ASN 35 10.445 9.045 -4.248 225 HD22 ASN 35 2HD2 ASN 35 10.606 8.925 -5.974 226 H ASN 36 H ASN 36 11.789 12.134 -1.041 227 HA ASN 36 HA ASN 36 11.220 13.073 0.950 228 HB2 ASN 36 2HB ASN 36 10.602 15.344 -0.925 229 HB3 ASN 36 1HB ASN 36 10.478 15.521 0.822 230 HD21 ASN 36 1HD2 ASN 36 12.406 15.541 2.053 231 HD22 ASN 36 2HD2 ASN 36 13.971 15.752 1.317 232 H LEU 37 H LEU 37 9.175 11.609 -0.670 233 HA LEU 37 HA LEU 37 6.627 12.746 -0.090 234 HB2 LEU 37 2HB LEU 37 7.679 10.406 -1.416 235 HB3 LEU 37 1HB LEU 37 6.326 9.980 -0.382 236 HG LEU 37 HG LEU 37 4.916 11.624 -1.537 237 HD11 LEU 37 1HD1 LEU 37 7.313 12.037 -3.316 238 HD12 LEU 37 2HD1 LEU 37 6.656 13.209 -2.172 239 HD13 LEU 37 3HD1 LEU 37 5.701 12.710 -3.569 240 HD21 LEU 37 3HD2 LEU 37 6.309 9.684 -3.377 241 HD22 LEU 37 1HD2 LEU 37 4.741 10.439 -3.673 242 HD23 LEU 37 2HD2 LEU 37 4.943 9.323 -2.321 243 H GLN 38 H GLN 38 5.009 11.621 1.241 244 HA GLN 38 HA GLN 38 6.103 10.932 3.841 245 HB2 GLN 38 2HB GLN 38 3.233 11.210 2.938 246 HB3 GLN 38 1HB GLN 38 3.772 11.000 4.599 247 HG2 GLN 38 2HG GLN 38 4.876 13.126 4.556 248 HG3 GLN 38 1HG GLN 38 4.496 13.321 2.846 249 HE21 GLN 38 1HE2 GLN 38 3.770 15.089 5.018 250 HE22 GLN 38 2HE2 GLN 38 2.032 15.162 5.042 251 H LEU 39 H LEU 39 6.197 8.893 4.609 252 HA LEU 39 HA LEU 39 5.994 6.615 3.101 253 HB2 LEU 39 2HB LEU 39 6.401 7.210 5.815 254 HB3 LEU 39 1HB LEU 39 5.114 6.024 5.782 255 HG LEU 39 HG LEU 39 7.086 4.778 6.029 256 HD11 LEU 39 1HD1 LEU 39 6.402 4.779 3.101 257 HD12 LEU 39 2HD1 LEU 39 5.642 3.813 4.362 258 HD13 LEU 39 3HD1 LEU 39 7.327 3.529 3.934 259 HD21 LEU 39 3HD2 LEU 39 8.683 6.538 5.514 260 HD22 LEU 39 1HD2 LEU 39 8.296 6.402 3.799 261 HD23 LEU 39 2HD2 LEU 39 9.072 5.057 4.637 262 H THR 40 H THR 40 3.463 7.907 5.230 263 HA THR 40 HA THR 40 1.533 5.967 4.671 264 HB THR 40 HB THR 40 0.973 8.836 5.396 265 HG1 THR 40 1HG THR 40 1.611 8.394 7.410 266 HG21 THR 40 3HG2 THR 40 -0.988 7.453 4.830 267 HG22 THR 40 1HG2 THR 40 -0.977 7.926 6.529 268 HG23 THR 40 2HG2 THR 40 -0.503 6.292 6.067 269 H GLN 41 H GLN 41 1.990 9.198 3.267 270 HA GLN 41 HA GLN 41 -0.109 9.212 1.471 271 HB2 GLN 41 2HB GLN 41 1.409 11.108 1.988 272 HB3 GLN 41 1HB GLN 41 2.666 10.332 1.037 273 HG2 GLN 41 2HG GLN 41 1.185 10.465 -0.947 274 HG3 GLN 41 1HG GLN 41 0.025 11.370 0.028 275 HE21 GLN 41 1HE2 GLN 41 3.119 11.428 -1.537 276 HE22 GLN 41 2HE2 GLN 41 3.382 13.140 -1.422 277 H ALA 42 H ALA 42 3.105 7.802 1.167 278 HA ALA 42 HA ALA 42 2.923 7.078 -1.564 279 HB1 ALA 42 1HB ALA 42 5.033 7.280 -0.344 280 HB2 ALA 42 2HB ALA 42 4.859 5.710 -1.128 281 HB3 ALA 42 3HB ALA 42 4.598 5.862 0.610 282 H ILE 43 H ILE 43 2.349 5.257 1.455 283 HA ILE 43 HA ILE 43 1.602 2.831 0.267 284 HB ILE 43 HB ILE 43 1.122 4.106 2.899 285 HG12 ILE 43 2HG1 ILE 43 1.869 1.843 3.672 286 HG13 ILE 43 1HG1 ILE 43 2.017 1.368 1.986 287 HG21 ILE 43 1HG2 ILE 43 -0.500 2.464 3.630 288 HG22 ILE 43 2HG2 ILE 43 -0.563 1.772 2.006 289 HG23 ILE 43 3HG2 ILE 43 -1.136 3.424 2.287 290 HD11 ILE 43 3HD1 ILE 43 3.659 3.212 1.687 291 HD12 ILE 43 1HD1 ILE 43 4.173 1.941 2.798 292 HD13 ILE 43 2HD1 ILE 43 3.586 3.479 3.432 293 H GLU 44 H GLU 44 -0.351 5.636 1.139 294 HA GLU 44 HA GLU 44 -2.836 4.575 0.370 295 HB2 GLU 44 2HB GLU 44 -1.923 7.459 0.432 296 HB3 GLU 44 1HB GLU 44 -3.594 6.937 0.290 297 HG2 GLU 44 2HG GLU 44 -3.435 5.872 2.487 298 HG3 GLU 44 1HG GLU 44 -1.775 6.432 2.630 299 H GLU 45 H GLU 45 -0.512 6.569 -1.443 300 HA GLU 45 HA GLU 45 -1.961 6.582 -3.864 301 HB2 GLU 45 2HB GLU 45 1.017 6.779 -3.353 302 HB3 GLU 45 1HB GLU 45 0.267 7.057 -4.919 303 HG2 GLU 45 2HG GLU 45 -0.362 8.635 -2.436 304 HG3 GLU 45 1HG GLU 45 0.810 9.122 -3.657 305 H ALA 46 H ALA 46 0.357 4.348 -2.450 306 HA ALA 46 HA ALA 46 0.776 2.704 -4.676 307 HB1 ALA 46 1HB ALA 46 2.143 2.657 -2.615 308 HB2 ALA 46 2HB ALA 46 1.592 1.053 -3.107 309 HB3 ALA 46 3HB ALA 46 0.797 1.892 -1.766 310 H ILE 47 H ILE 47 -1.421 2.326 -1.927 311 HA ILE 47 HA ILE 47 -2.615 -0.011 -2.934 312 HB ILE 47 HB ILE 47 -2.435 0.621 -0.525 313 HG12 ILE 47 2HG1 ILE 47 -5.187 -0.050 -1.576 314 HG13 ILE 47 1HG1 ILE 47 -3.904 -1.181 -1.176 315 HG21 ILE 47 1HG2 ILE 47 -4.585 2.577 -1.253 316 HG22 ILE 47 2HG2 ILE 47 -2.993 2.924 -0.562 317 HG23 ILE 47 3HG2 ILE 47 -4.216 2.085 0.400 318 HD11 ILE 47 3HD1 ILE 47 -4.024 -0.470 1.167 319 HD12 ILE 47 1HD1 ILE 47 -5.538 -1.159 0.577 320 HD13 ILE 47 2HD1 ILE 47 -5.372 0.590 0.755 321 H LYS 48 H LYS 48 -3.207 3.377 -3.346 322 HA LYS 48 HA LYS 48 -5.869 3.228 -4.291 323 HB2 LYS 48 2HB LYS 48 -4.950 5.347 -3.595 324 HB3 LYS 48 1HB LYS 48 -3.663 5.227 -4.784 325 HG2 LYS 48 2HG LYS 48 -4.927 6.467 -6.117 326 HG3 LYS 48 1HG LYS 48 -5.975 5.061 -6.296 327 HD2 LYS 48 2HD LYS 48 -6.280 7.137 -4.131 328 HD3 LYS 48 1HD LYS 48 -7.160 7.163 -5.660 329 HE2 LYS 48 2HE LYS 48 -8.158 4.999 -5.130 330 HE3 LYS 48 1HE LYS 48 -7.256 4.950 -3.617 331 HZ1 LYS 48 3HZ LYS 48 -9.589 5.699 -3.387 332 HZ2 LYS 48 1HZ LYS 48 -9.215 7.066 -4.310 333 HZ3 LYS 48 2HZ LYS 48 -8.460 6.830 -2.810 334 H GLU 49 H GLU 49 -2.815 3.671 -6.099 335 HA GLU 49 HA GLU 49 -3.983 3.203 -8.609 336 HB2 GLU 49 2HB GLU 49 -1.153 3.235 -7.609 337 HB3 GLU 49 1HB GLU 49 -1.486 2.613 -9.220 338 HG2 GLU 49 2HG GLU 49 -0.936 4.827 -9.599 339 HG3 GLU 49 1HG GLU 49 -2.692 4.848 -9.626 340 H TYR 50 H TYR 50 -3.176 1.072 -6.124 341 HA TYR 50 HA TYR 50 -2.639 -1.211 -7.727 342 HB2 TYR 50 2HB TYR 50 -1.750 -1.164 -5.533 343 HB3 TYR 50 1HB TYR 50 -3.317 -0.789 -4.832 344 HD1 TYR 50 2HD TYR 50 -1.605 -3.482 -6.777 345 HD2 TYR 50 1HD TYR 50 -4.512 -2.446 -3.860 346 HE1 TYR 50 2HE TYR 50 -1.942 -5.864 -6.277 347 HE2 TYR 50 1HE TYR 50 -4.854 -4.818 -3.329 348 HH TYR 50 HH TYR 50 -2.751 -7.249 -4.378 349 H LEU 51 H LEU 51 -5.449 -0.047 -5.892 350 HA LEU 51 HA LEU 51 -7.195 -2.097 -6.694 351 HB2 LEU 51 2HB LEU 51 -7.540 0.614 -5.565 352 HB3 LEU 51 1HB LEU 51 -8.923 -0.083 -6.377 353 HG LEU 51 HG LEU 51 -9.426 -0.936 -4.382 354 HD11 LEU 51 1HD1 LEU 51 -7.089 -2.739 -4.951 355 HD12 LEU 51 2HD1 LEU 51 -8.743 -2.948 -5.528 356 HD13 LEU 51 3HD1 LEU 51 -8.390 -3.068 -3.805 357 HD21 LEU 51 3HD2 LEU 51 -7.820 -1.106 -2.507 358 HD22 LEU 51 1HD2 LEU 51 -7.931 0.512 -3.208 359 HD23 LEU 51 2HD2 LEU 51 -6.555 -0.525 -3.596 360 H GLN 52 H GLN 52 -6.332 0.967 -8.186 361 HA GLN 52 HA GLN 52 -8.356 0.745 -10.203 362 HB2 GLN 52 2HB GLN 52 -6.128 2.631 -9.635 363 HB3 GLN 52 1HB GLN 52 -6.728 2.568 -11.286 364 HG2 GLN 52 2HG GLN 52 -7.848 4.318 -10.088 365 HG3 GLN 52 1HG GLN 52 -8.994 3.037 -10.463 366 HE21 GLN 52 1HE2 GLN 52 -7.264 4.699 -7.974 367 HE22 GLN 52 2HE2 GLN 52 -8.136 4.034 -6.641 368 H LYS 53 H LYS 53 -5.022 -0.225 -9.933 369 HA LYS 53 HA LYS 53 -4.765 -0.884 -12.723 370 HB2 LYS 53 2HB LYS 53 -2.853 -0.295 -11.166 371 HB3 LYS 53 1HB LYS 53 -3.048 -1.894 -10.467 372 HG2 LYS 53 2HG LYS 53 -2.586 -2.901 -12.647 373 HG3 LYS 53 1HG LYS 53 -2.384 -1.289 -13.341 374 HD2 LYS 53 2HD LYS 53 -0.202 -2.071 -12.873 375 HD3 LYS 53 1HD LYS 53 -0.588 -0.914 -11.596 376 HE2 LYS 53 2HE LYS 53 0.439 -2.796 -10.558 377 HE3 LYS 53 1HE LYS 53 -1.280 -2.850 -10.171 378 HZ1 LYS 53 3HZ LYS 53 -1.545 -4.461 -12.015 379 HZ2 LYS 53 1HZ LYS 53 -0.553 -5.028 -10.763 380 HZ3 LYS 53 2HZ LYS 53 0.143 -4.480 -12.207 381 H ARG 54 H ARG 54 -6.133 -2.318 -9.994 382 HA ARG 54 HA ARG 54 -5.870 -5.014 -11.080 383 HB2 ARG 54 2HB ARG 54 -5.405 -4.241 -8.592 384 HB3 ARG 54 1HB ARG 54 -7.145 -4.424 -8.442 385 HG2 ARG 54 2HG ARG 54 -6.552 -6.523 -7.837 386 HG3 ARG 54 1HG ARG 54 -6.551 -6.772 -9.586 387 HD2 ARG 54 2HD ARG 54 -4.194 -6.537 -9.705 388 HD3 ARG 54 1HD ARG 54 -4.106 -5.934 -8.054 389 HE ARG 54 HE ARG 54 -5.227 -8.554 -8.197 390 HH11 ARG 54 1HH1 ARG 54 -2.194 -6.822 -8.149 391 HH12 ARG 54 2HH1 ARG 54 -1.293 -8.162 -7.507 392 HH21 ARG 54 1HH2 ARG 54 -4.055 -10.309 -7.346 393 HH22 ARG 54 2HH2 ARG 54 -2.353 -10.141 -7.039 394 H ASN 55 H ASN 55 -8.396 -3.255 -9.297 395 HA ASN 55 HA ASN 55 -10.358 -3.231 -11.214 396 HB2 ASN 55 2HB ASN 55 -11.863 -5.095 -10.255 397 HB3 ASN 55 1HB ASN 55 -10.596 -5.544 -11.384 398 HD21 ASN 55 1HD2 ASN 55 -10.651 -7.660 -10.644 399 HD22 ASN 55 2HD2 ASN 55 -9.955 -8.122 -9.126 400 H GLY 56 H GLY 56 -10.173 -4.172 -7.777 401 HA2 GLY 56 2HA GLY 56 -10.807 -2.921 -5.925 402 HA3 GLY 56 1HA GLY 56 -11.399 -1.666 -7.005 403 H LYS 11 H LYS 11 9.197 -14.850 3.576 404 HA LYS 11 HA LYS 11 8.752 -12.541 4.135 405 HB2 LYS 11 2HB LYS 11 7.085 -14.193 4.701 406 HB3 LYS 11 1HB LYS 11 7.961 -14.656 6.148 407 HG2 LYS 11 2HG LYS 11 6.000 -13.339 6.692 408 HG3 LYS 11 1HG LYS 11 7.472 -12.495 7.157 409 HD2 LYS 11 2HD LYS 11 6.033 -10.879 6.176 410 HD3 LYS 11 1HD LYS 11 7.291 -11.217 4.987 411 HE2 LYS 11 2HE LYS 11 5.776 -12.703 3.788 412 HE3 LYS 11 1HE LYS 11 4.524 -12.427 4.999 413 HZ1 LYS 11 2HZ LYS 11 4.449 -10.105 4.355 414 HZ2 LYS 11 3HZ LYS 11 4.193 -11.081 2.999 415 HZ3 LYS 11 1HZ LYS 11 5.698 -10.334 3.234 416 H GLN 12 H GLN 12 10.845 -11.527 4.570 417 HA GLN 12 HA GLN 12 11.562 -11.289 7.371 418 HB2 GLN 12 2HB GLN 12 13.108 -9.511 6.608 419 HB3 GLN 12 1HB GLN 12 13.365 -11.034 5.769 420 HG2 GLN 12 2HG GLN 12 12.295 -10.209 3.799 421 HG3 GLN 12 1HG GLN 12 11.766 -8.751 4.637 422 HE21 GLN 12 1HE2 GLN 12 14.937 -10.151 5.072 423 HE22 GLN 12 2HE2 GLN 12 15.809 -8.888 4.272 424 H LYS 13 H LYS 13 10.622 -9.865 8.751 425 HA LYS 13 HA LYS 13 8.393 -8.431 7.471 426 HB2 LYS 13 2HB LYS 13 7.015 -8.981 9.395 427 HB3 LYS 13 1HB LYS 13 7.663 -10.444 8.675 428 HG2 LYS 13 2HG LYS 13 9.301 -10.631 10.418 429 HG3 LYS 13 1HG LYS 13 8.820 -9.071 11.091 430 HD2 LYS 13 2HD LYS 13 6.566 -9.999 11.519 431 HD3 LYS 13 1HD LYS 13 7.132 -11.568 10.946 432 HE2 LYS 13 2HE LYS 13 7.163 -11.437 13.385 433 HE3 LYS 13 1HE LYS 13 8.786 -11.642 12.733 434 HZ1 LYS 13 3HZ LYS 13 7.576 -9.108 13.714 435 HZ2 LYS 13 1HZ LYS 13 9.109 -9.226 12.986 436 HZ3 LYS 13 2HZ LYS 13 8.806 -10.001 14.462 437 H ALA 14 H ALA 14 7.699 -6.536 8.210 438 HA ALA 14 HA ALA 14 8.931 -5.337 10.579 439 HB1 ALA 14 1HB ALA 14 9.101 -3.184 9.417 440 HB2 ALA 14 2HB ALA 14 8.614 -3.964 7.908 441 HB3 ALA 14 3HB ALA 14 10.139 -4.405 8.682 442 H VAL 15 H VAL 15 7.603 -3.404 11.261 443 HA VAL 15 HA VAL 15 4.765 -4.046 10.802 444 HB VAL 15 HB VAL 15 5.680 -2.234 12.988 445 HG11 VAL 15 1HG1 VAL 15 3.306 -2.400 12.582 446 HG12 VAL 15 2HG1 VAL 15 3.711 -3.118 14.141 447 HG13 VAL 15 3HG1 VAL 15 3.379 -4.155 12.754 448 HG21 VAL 15 3HG2 VAL 15 7.113 -4.167 13.239 449 HG22 VAL 15 1HG2 VAL 15 5.715 -5.240 13.133 450 HG23 VAL 15 2HG2 VAL 15 5.891 -4.149 14.512 451 H PHE 16 H PHE 16 3.289 -2.199 10.782 452 HA PHE 16 HA PHE 16 4.425 0.358 10.036 453 HB2 PHE 16 2HB PHE 16 4.196 -1.251 7.976 454 HB3 PHE 16 1HB PHE 16 2.485 -0.859 8.105 455 HD1 PHE 16 1HD PHE 16 5.568 1.170 8.539 456 HD2 PHE 16 2HD PHE 16 1.920 0.605 6.425 457 HE1 PHE 16 1HE PHE 16 5.980 3.246 7.285 458 HE2 PHE 16 2HE PHE 16 2.327 2.679 5.165 459 HZ PHE 16 HZ PHE 16 4.350 4.002 5.601 460 H GLY 17 H GLY 17 3.237 1.855 10.988 461 HA2 GLY 17 2HA GLY 17 0.365 1.312 11.433 462 HA3 GLY 17 1HA GLY 17 1.386 1.917 12.734 463 H ILE 18 H ILE 18 -0.393 2.706 9.895 464 HA ILE 18 HA ILE 18 0.462 5.516 10.142 465 HB ILE 18 HB ILE 18 0.124 5.760 7.713 466 HG12 ILE 18 2HG1 ILE 18 0.003 2.738 7.656 467 HG13 ILE 18 1HG1 ILE 18 -1.421 3.764 7.516 468 HG21 ILE 18 1HG2 ILE 18 2.344 5.420 8.600 469 HG22 ILE 18 2HG2 ILE 18 2.187 4.572 7.060 470 HG23 ILE 18 3HG2 ILE 18 2.114 3.671 8.576 471 HD11 ILE 18 3HD1 ILE 18 0.924 3.701 5.637 472 HD12 ILE 18 1HD1 ILE 18 -0.483 4.752 5.488 473 HD13 ILE 18 2HD1 ILE 18 -0.668 3.004 5.348 474 H TYR 19 H TYR 19 -1.137 6.994 8.955 475 HA TYR 19 HA TYR 19 -3.874 6.117 9.568 476 HB2 TYR 19 2HB TYR 19 -2.747 8.927 9.678 477 HB3 TYR 19 1HB TYR 19 -4.411 8.477 10.031 478 HD1 TYR 19 1HD TYR 19 -4.671 6.631 11.928 479 HD2 TYR 19 2HD TYR 19 -1.267 9.153 11.451 480 HE1 TYR 19 1HE TYR 19 -4.085 6.277 14.276 481 HE2 TYR 19 2HE TYR 19 -0.670 8.788 13.811 482 HH TYR 19 HH TYR 19 -1.802 8.145 15.926 483 H MET 20 H MET 20 -4.612 5.497 7.646 484 HA MET 20 HA MET 20 -4.176 7.240 5.307 485 HB2 MET 20 2HB MET 20 -4.525 5.236 3.920 486 HB3 MET 20 1HB MET 20 -3.192 5.008 5.044 487 HG2 MET 20 2HG MET 20 -4.862 3.831 6.548 488 HG3 MET 20 1HG MET 20 -5.954 3.829 5.163 489 HE1 MET 20 3HE MET 20 -3.956 3.415 2.725 490 HE2 MET 20 1HE MET 20 -5.464 2.510 2.891 491 HE3 MET 20 2HE MET 20 -3.950 1.659 2.570 492 H ASP 21 H ASP 21 -6.014 7.203 3.679 493 HA ASP 21 HA ASP 21 -8.364 8.045 4.953 494 HB2 ASP 21 2HB ASP 21 -7.681 7.486 2.095 495 HB3 ASP 21 1HB ASP 21 -9.350 7.761 2.558 496 H LYS 22 H LYS 22 -10.511 7.208 4.753 497 HA LYS 22 HA LYS 22 -10.574 4.438 5.460 498 HB2 LYS 22 2HB LYS 22 -12.051 5.965 6.621 499 HB3 LYS 22 1HB LYS 22 -12.774 6.484 5.102 500 HG2 LYS 22 2HG LYS 22 -13.605 4.173 4.770 501 HG3 LYS 22 1HG LYS 22 -12.996 3.770 6.377 502 HD2 LYS 22 2HD LYS 22 -14.484 5.359 7.399 503 HD3 LYS 22 1HD LYS 22 -15.001 5.951 5.816 504 HE2 LYS 22 2HE LYS 22 -15.950 3.754 5.308 505 HE3 LYS 22 1HE LYS 22 -15.432 3.162 6.886 506 HZ1 LYS 22 3HZ LYS 22 -17.773 3.793 6.857 507 HZ2 LYS 22 1HZ LYS 22 -17.353 5.384 6.438 508 HZ3 LYS 22 2HZ LYS 22 -16.887 4.749 7.940 509 H ASP 23 H ASP 23 -12.418 6.263 3.013 510 HA ASP 23 HA ASP 23 -13.566 4.154 1.707 511 HB2 ASP 23 2HB ASP 23 -14.185 6.434 1.208 512 HB3 ASP 23 1HB ASP 23 -12.598 6.754 0.523 513 H LEU 24 H LEU 24 -10.295 5.279 1.375 514 HA LEU 24 HA LEU 24 -9.722 3.743 -0.971 515 HB2 LEU 24 2HB LEU 24 -8.615 5.818 -0.659 516 HB3 LEU 24 1HB LEU 24 -8.134 5.390 0.968 517 HG LEU 24 HG LEU 24 -6.417 5.440 -1.011 518 HD11 LEU 24 1HD1 LEU 24 -6.545 3.350 1.142 519 HD12 LEU 24 2HD1 LEU 24 -5.923 4.993 1.290 520 HD13 LEU 24 3HD1 LEU 24 -5.084 3.824 0.268 521 HD21 LEU 24 3HD2 LEU 24 -6.060 3.399 -2.134 522 HD22 LEU 24 1HD2 LEU 24 -7.786 3.719 -2.299 523 HD23 LEU 24 2HD2 LEU 24 -7.220 2.542 -1.116 524 H LYS 25 H LYS 25 -8.617 3.543 2.450 525 HA LYS 25 HA LYS 25 -7.335 1.047 2.189 526 HB2 LYS 25 2HB LYS 25 -7.161 2.688 4.118 527 HB3 LYS 25 1HB LYS 25 -8.731 2.110 4.660 528 HG2 LYS 25 2HG LYS 25 -7.738 -0.189 4.759 529 HG3 LYS 25 1HG LYS 25 -6.171 0.568 4.468 530 HD2 LYS 25 2HD LYS 25 -6.163 0.519 6.751 531 HD3 LYS 25 1HD LYS 25 -6.917 2.093 6.481 532 HE2 LYS 25 2HE LYS 25 -8.418 -0.485 6.960 533 HE3 LYS 25 1HE LYS 25 -8.065 0.715 8.201 534 HZ1 LYS 25 3HZ LYS 25 -10.319 0.913 7.279 535 HZ2 LYS 25 1HZ LYS 25 -9.666 1.236 5.755 536 HZ3 LYS 25 2HZ LYS 25 -9.405 2.314 7.027 537 H THR 26 H THR 26 -10.617 2.021 2.724 538 HA THR 26 HA THR 26 -11.594 -0.552 3.541 539 HB THR 26 HB THR 26 -13.013 2.013 2.801 540 HG1 THR 26 1HG THR 26 -13.221 0.973 5.355 541 HG21 THR 26 3HG2 THR 26 -14.489 0.112 2.318 542 HG22 THR 26 1HG2 THR 26 -15.048 1.002 3.733 543 HG23 THR 26 2HG2 THR 26 -14.200 -0.532 3.935 544 H ARG 27 H ARG 27 -11.484 1.314 0.598 545 HA ARG 27 HA ARG 27 -12.951 -0.281 -1.135 546 HB2 ARG 27 2HB ARG 27 -12.074 1.744 -1.987 547 HB3 ARG 27 1HB ARG 27 -10.448 1.364 -1.452 548 HG2 ARG 27 2HG ARG 27 -10.505 1.213 -3.817 549 HG3 ARG 27 1HG ARG 27 -10.358 -0.417 -3.151 550 HD2 ARG 27 2HD ARG 27 -11.944 -0.407 -4.992 551 HD3 ARG 27 1HD ARG 27 -12.782 -0.744 -3.477 552 HE ARG 27 HE ARG 27 -12.898 2.017 -3.936 553 HH11 ARG 27 1HH1 ARG 27 -14.103 -0.924 -5.430 554 HH12 ARG 27 2HH1 ARG 27 -15.567 -0.166 -5.991 555 HH21 ARG 27 1HH2 ARG 27 -14.813 2.985 -4.660 556 HH22 ARG 27 2HH2 ARG 27 -15.960 2.059 -5.581 557 H LEU 28 H LEU 28 -9.519 -0.452 -0.374 558 HA LEU 28 HA LEU 28 -8.947 -2.900 -1.576 559 HB2 LEU 28 2HB LEU 28 -7.356 -1.160 -0.782 560 HB3 LEU 28 1HB LEU 28 -7.650 -1.691 0.860 561 HG LEU 28 HG LEU 28 -5.526 -2.475 -0.288 562 HD11 LEU 28 1HD1 LEU 28 -5.600 -4.595 0.840 563 HD12 LEU 28 2HD1 LEU 28 -7.366 -4.556 0.857 564 HD13 LEU 28 3HD1 LEU 28 -6.449 -3.378 1.798 565 HD21 LEU 28 3HD2 LEU 28 -6.536 -3.067 -2.427 566 HD22 LEU 28 1HD2 LEU 28 -7.493 -4.321 -1.635 567 HD23 LEU 28 2HD2 LEU 28 -5.734 -4.456 -1.689 568 H LYS 29 H LYS 29 -10.132 -2.172 1.698 569 HA LYS 29 HA LYS 29 -9.964 -4.714 2.813 570 HB2 LYS 29 2HB LYS 29 -10.585 -2.866 4.201 571 HB3 LYS 29 1HB LYS 29 -12.001 -2.530 3.219 572 HG2 LYS 29 2HG LYS 29 -11.793 -5.157 4.609 573 HG3 LYS 29 1HG LYS 29 -12.226 -3.719 5.534 574 HD2 LYS 29 2HD LYS 29 -14.131 -3.319 4.101 575 HD3 LYS 29 1HD LYS 29 -13.655 -4.649 3.042 576 HE2 LYS 29 2HE LYS 29 -13.991 -6.224 4.878 577 HE3 LYS 29 1HE LYS 29 -14.473 -4.896 5.932 578 HZ1 LYS 29 3HZ LYS 29 -16.357 -4.473 4.486 579 HZ2 LYS 29 1HZ LYS 29 -16.381 -6.080 5.028 580 HZ3 LYS 29 2HZ LYS 29 -15.882 -5.726 3.451 581 H VAL 30 H VAL 30 -12.468 -3.320 0.783 582 HA VAL 30 HA VAL 30 -14.180 -5.562 0.783 583 HB VAL 30 HB VAL 30 -13.884 -3.346 -1.220 584 HG11 VAL 30 1HG1 VAL 30 -16.146 -5.301 -0.838 585 HG12 VAL 30 2HG1 VAL 30 -15.052 -5.224 -2.220 586 HG13 VAL 30 3HG1 VAL 30 -16.177 -3.900 -1.909 587 HG21 VAL 30 3HG2 VAL 30 -14.361 -2.609 1.051 588 HG22 VAL 30 1HG2 VAL 30 -15.759 -3.681 1.110 589 HG23 VAL 30 2HG2 VAL 30 -15.741 -2.321 -0.016 590 H TYR 31 H TYR 31 -11.474 -4.616 -1.139 591 HA TYR 31 HA TYR 31 -11.647 -6.582 -3.142 592 HB2 TYR 31 2HB TYR 31 -10.218 -4.626 -3.367 593 HB3 TYR 31 1HB TYR 31 -9.268 -5.123 -1.969 594 HD1 TYR 31 1HD TYR 31 -10.219 -6.170 -5.399 595 HD2 TYR 31 2HD TYR 31 -7.401 -6.477 -2.239 596 HE1 TYR 31 1HE TYR 31 -8.718 -7.416 -6.871 597 HE2 TYR 31 2HE TYR 31 -5.889 -7.729 -3.702 598 HH TYR 31 HH TYR 31 -5.985 -9.099 -5.717 599 H CYS 32 H CYS 32 -10.208 -6.480 0.064 600 HA CYS 32 HA CYS 32 -9.030 -9.090 -0.112 601 HB2 CYS 32 2HB CYS 32 -9.609 -7.358 2.293 602 HB3 CYS 32 1HB CYS 32 -8.636 -8.825 2.313 603 HG CYS 32 HG CYS 32 -7.901 -5.884 0.749 604 H ALA 33 H ALA 33 -12.125 -7.860 0.805 605 HA ALA 33 HA ALA 33 -12.950 -10.237 2.189 606 HB1 ALA 33 1HB ALA 33 -14.579 -7.935 1.113 607 HB2 ALA 33 2HB ALA 33 -13.905 -8.055 2.739 608 HB3 ALA 33 3HB ALA 33 -15.157 -9.184 2.216 609 H LYS 34 H LYS 34 -13.240 -8.888 -1.023 610 HA LYS 34 HA LYS 34 -15.100 -10.846 -1.943 611 HB2 LYS 34 2HB LYS 34 -14.989 -8.518 -2.805 612 HB3 LYS 34 1HB LYS 34 -13.426 -8.888 -3.519 613 HG2 LYS 34 2HG LYS 34 -14.425 -10.478 -5.012 614 HG3 LYS 34 1HG LYS 34 -15.993 -10.286 -4.220 615 HD2 LYS 34 2HD LYS 34 -16.048 -7.932 -4.901 616 HD3 LYS 34 1HD LYS 34 -14.484 -8.124 -5.692 617 HE2 LYS 34 2HE LYS 34 -16.961 -9.681 -6.415 618 HE3 LYS 34 1HE LYS 34 -16.434 -8.213 -7.235 619 HZ1 LYS 34 3HZ LYS 34 -14.371 -9.336 -7.830 620 HZ2 LYS 34 1HZ LYS 34 -15.721 -10.168 -8.428 621 HZ3 LYS 34 2HZ LYS 34 -14.901 -10.750 -7.066 622 H ASN 35 H ASN 35 -11.613 -10.379 -2.235 623 HA ASN 35 HA ASN 35 -11.417 -12.839 -3.810 624 HB2 ASN 35 2HB ASN 35 -9.339 -10.808 -2.975 625 HB3 ASN 35 1HB ASN 35 -8.968 -12.271 -3.877 626 HD21 ASN 35 1HD2 ASN 35 -10.464 -9.146 -3.975 627 HD22 ASN 35 2HD2 ASN 35 -10.649 -9.056 -5.704 628 H ASN 36 H ASN 36 -11.792 -12.158 -0.692 629 HA ASN 36 HA ASN 36 -11.212 -13.050 1.316 630 HB2 ASN 36 2HB ASN 36 -10.598 -15.363 -0.507 631 HB3 ASN 36 1HB ASN 36 -10.474 -15.496 1.245 632 HD21 ASN 36 1HD2 ASN 36 -12.410 -15.470 2.479 633 HD22 ASN 36 2HD2 ASN 36 -13.969 -15.693 1.744 634 H LEU 37 H LEU 37 -9.178 -11.627 -0.349 635 HA LEU 37 HA LEU 37 -6.624 -12.748 0.244 636 HB2 LEU 37 2HB LEU 37 -7.680 -10.435 -1.131 637 HB3 LEU 37 1HB LEU 37 -6.319 -9.990 -0.118 638 HG LEU 37 HG LEU 37 -4.921 -11.660 -1.246 639 HD11 LEU 37 1HD1 LEU 37 -7.329 -12.111 -2.999 640 HD12 LEU 37 2HD1 LEU 37 -6.665 -13.256 -1.833 641 HD13 LEU 37 3HD1 LEU 37 -5.719 -12.790 -3.248 642 HD21 LEU 37 3HD2 LEU 37 -6.327 -9.757 -3.116 643 HD22 LEU 37 1HD2 LEU 37 -4.759 -10.516 -3.405 644 HD23 LEU 37 2HD2 LEU 37 -4.955 -9.375 -2.074 645 H GLN 38 H GLN 38 -4.997 -11.583 1.534 646 HA GLN 38 HA GLN 38 -6.073 -10.844 4.127 647 HB2 GLN 38 2HB GLN 38 -3.207 -11.145 3.215 648 HB3 GLN 38 1HB GLN 38 -3.736 -10.898 4.874 649 HG2 GLN 38 2HG GLN 38 -4.834 -13.022 4.889 650 HG3 GLN 38 1HG GLN 38 -4.473 -13.259 3.181 651 HE21 GLN 38 1HE2 GLN 38 -3.723 -14.961 5.387 652 HE22 GLN 38 2HE2 GLN 38 -1.990 -15.050 5.388 653 H LEU 39 H LEU 39 -6.175 -8.787 4.839 654 HA LEU 39 HA LEU 39 -5.970 -6.545 3.289 655 HB2 LEU 39 2HB LEU 39 -6.362 -7.078 6.015 656 HB3 LEU 39 1HB LEU 39 -5.073 -5.894 5.950 657 HG LEU 39 HG LEU 39 -7.043 -4.641 6.174 658 HD11 LEU 39 1HD1 LEU 39 -6.376 -4.706 3.243 659 HD12 LEU 39 2HD1 LEU 39 -5.602 -3.713 4.476 660 HD13 LEU 39 3HD1 LEU 39 -7.291 -3.437 4.055 661 HD21 LEU 39 3HD2 LEU 39 -8.639 -6.415 5.701 662 HD22 LEU 39 1HD2 LEU 39 -8.261 -6.307 3.981 663 HD23 LEU 39 2HD2 LEU 39 -9.035 -4.948 4.800 664 H THR 40 H THR 40 -3.424 -7.785 5.426 665 HA THR 40 HA THR 40 -1.500 -5.862 4.813 666 HB THR 40 HB THR 40 -0.928 -8.715 5.590 667 HG1 THR 40 1HG THR 40 -1.534 -8.239 7.605 668 HG21 THR 40 3HG2 THR 40 1.025 -7.340 4.995 669 HG22 THR 40 1HG2 THR 40 1.020 -7.773 6.705 670 HG23 THR 40 2HG2 THR 40 0.539 -6.150 6.206 671 H GLN 41 H GLN 41 -1.963 -9.125 3.484 672 HA GLN 41 HA GLN 41 0.128 -9.181 1.676 673 HB2 GLN 41 2HB GLN 41 -1.387 -11.066 2.245 674 HB3 GLN 41 1HB GLN 41 -2.648 -10.310 1.285 675 HG2 GLN 41 2HG GLN 41 -1.180 -10.490 -0.704 676 HG3 GLN 41 1HG GLN 41 -0.016 -11.375 0.284 677 HE21 GLN 41 1HE2 GLN 41 -3.124 -11.467 -1.255 678 HE22 GLN 41 2HE2 GLN 41 -3.391 -13.169 -1.092 679 H ALA 42 H ALA 42 -3.090 -7.778 1.366 680 HA ALA 42 HA ALA 42 -2.920 -7.116 -1.384 681 HB1 ALA 42 1HB ALA 42 -5.027 -7.291 -0.154 682 HB2 ALA 42 2HB ALA 42 -4.856 -5.738 -0.973 683 HB3 ALA 42 3HB ALA 42 -4.589 -5.852 0.768 684 H ILE 43 H ILE 43 -2.322 -5.227 1.589 685 HA ILE 43 HA ILE 43 -1.590 -2.827 0.336 686 HB ILE 43 HB ILE 43 -1.095 -4.042 2.992 687 HG12 ILE 43 2HG1 ILE 43 -1.834 -1.759 3.717 688 HG13 ILE 43 1HG1 ILE 43 -1.991 -1.326 2.020 689 HG21 ILE 43 1HG2 ILE 43 0.531 -2.382 3.675 690 HG22 ILE 43 2HG2 ILE 43 0.584 -1.730 2.033 691 HG23 ILE 43 3HG2 ILE 43 1.163 -3.374 2.355 692 HD11 ILE 43 3HD1 ILE 43 -3.637 -3.173 1.776 693 HD12 ILE 43 1HD1 ILE 43 -4.146 -1.878 2.862 694 HD13 ILE 43 2HD1 ILE 43 -3.554 -3.400 3.527 695 H GLU 44 H GLU 44 0.368 -5.614 1.262 696 HA GLU 44 HA GLU 44 2.846 -4.574 0.447 697 HB2 GLU 44 2HB GLU 44 1.935 -7.453 0.594 698 HB3 GLU 44 1HB GLU 44 3.604 -6.934 0.424 699 HG2 GLU 44 2HG GLU 44 3.461 -5.813 2.594 700 HG3 GLU 44 1HG GLU 44 1.801 -6.362 2.761 701 H GLU 45 H GLU 45 0.502 -6.600 -1.301 702 HA GLU 45 HA GLU 45 1.940 -6.676 -3.730 703 HB2 GLU 45 2HB GLU 45 -1.030 -6.851 -3.187 704 HB3 GLU 45 1HB GLU 45 -0.299 -7.170 -4.752 705 HG2 GLU 45 2HG GLU 45 0.341 -8.687 -2.234 706 HG3 GLU 45 1HG GLU 45 -0.830 -9.204 -3.445 707 H ALA 46 H ALA 46 -0.366 -4.407 -2.352 708 HA ALA 46 HA ALA 46 -0.798 -2.816 -4.611 709 HB1 ALA 46 1HB ALA 46 -2.150 -2.717 -2.542 710 HB2 ALA 46 2HB ALA 46 -1.602 -1.128 -3.079 711 HB3 ALA 46 3HB ALA 46 -0.799 -1.933 -1.721 712 H ILE 47 H ILE 47 1.417 -2.373 -1.886 713 HA ILE 47 HA ILE 47 2.609 -0.061 -2.955 714 HB ILE 47 HB ILE 47 2.443 -0.641 -0.530 715 HG12 ILE 47 2HG1 ILE 47 5.185 0.009 -1.616 716 HG13 ILE 47 1HG1 ILE 47 3.902 1.147 -1.231 717 HG21 ILE 47 1HG2 ILE 47 4.582 -2.619 -1.231 718 HG22 ILE 47 2HG2 ILE 47 2.996 -2.944 -0.516 719 HG23 ILE 47 3HG2 ILE 47 4.231 -2.084 0.412 720 HD11 ILE 47 3HD1 ILE 47 4.038 0.488 1.127 721 HD12 ILE 47 1HD1 ILE 47 5.548 1.162 0.510 722 HD13 ILE 47 2HD1 ILE 47 5.385 -0.583 0.728 723 H LYS 48 H LYS 48 3.188 -3.457 -3.305 724 HA LYS 48 HA LYS 48 5.852 -3.332 -4.260 725 HB2 LYS 48 2HB LYS 48 4.938 -5.437 -3.514 726 HB3 LYS 48 1HB LYS 48 3.644 -5.344 -4.696 727 HG2 LYS 48 2HG LYS 48 4.902 -6.614 -6.011 728 HG3 LYS 48 1HG LYS 48 5.947 -5.210 -6.228 729 HD2 LYS 48 2HD LYS 48 6.268 -7.230 -4.012 730 HD3 LYS 48 1HD LYS 48 7.137 -7.301 -5.545 731 HE2 LYS 48 2HE LYS 48 8.145 -5.125 -5.078 732 HE3 LYS 48 1HE LYS 48 7.250 -5.035 -3.563 733 HZ1 LYS 48 3HZ LYS 48 9.576 -5.779 -3.313 734 HZ2 LYS 48 1HZ LYS 48 9.211 -7.169 -4.210 735 HZ3 LYS 48 2HZ LYS 48 8.449 -6.900 -2.716 736 H GLU 49 H GLU 49 2.786 -3.813 -6.033 737 HA GLU 49 HA GLU 49 3.939 -3.403 -8.564 738 HB2 GLU 49 2HB GLU 49 1.117 -3.419 -7.544 739 HB3 GLU 49 1HB GLU 49 1.439 -2.834 -9.171 740 HG2 GLU 49 2HG GLU 49 0.889 -5.058 -9.494 741 HG3 GLU 49 1HG GLU 49 2.647 -5.078 -9.532 742 H TYR 50 H TYR 50 3.150 -1.218 -6.121 743 HA TYR 50 HA TYR 50 2.601 1.022 -7.772 744 HB2 TYR 50 2HB TYR 50 1.728 1.033 -5.572 745 HB3 TYR 50 1HB TYR 50 3.298 0.672 -4.873 746 HD1 TYR 50 2HD TYR 50 1.578 3.317 -6.871 747 HD2 TYR 50 1HD TYR 50 4.502 2.352 -3.947 748 HE1 TYR 50 2HE TYR 50 1.914 5.709 -6.430 749 HE2 TYR 50 1HE TYR 50 4.845 4.738 -3.479 750 HH TYR 50 HH TYR 50 2.731 7.140 -4.577 751 H LEU 51 H LEU 51 5.421 -0.097 -5.933 752 HA LEU 51 HA LEU 51 7.166 1.933 -6.788 753 HB2 LEU 51 2HB LEU 51 7.514 -0.755 -5.603 754 HB3 LEU 51 1HB LEU 51 8.893 -0.075 -6.437 755 HG LEU 51 HG LEU 51 9.405 0.822 -4.464 756 HD11 LEU 51 1HD1 LEU 51 7.073 2.623 -5.066 757 HD12 LEU 51 2HD1 LEU 51 8.728 2.815 -5.646 758 HD13 LEU 51 3HD1 LEU 51 8.373 2.971 -3.926 759 HD21 LEU 51 3HD2 LEU 51 7.814 1.037 -2.584 760 HD22 LEU 51 1HD2 LEU 51 7.920 -0.596 -3.247 761 HD23 LEU 51 2HD2 LEU 51 6.539 0.431 -3.646 762 H GLN 52 H GLN 52 6.288 -1.164 -8.204 763 HA GLN 52 HA GLN 52 8.301 -0.994 -10.241 764 HB2 GLN 52 2HB GLN 52 6.079 -2.866 -9.614 765 HB3 GLN 52 1HB GLN 52 6.669 -2.839 -11.270 766 HG2 GLN 52 2HG GLN 52 7.795 -4.561 -10.041 767 HG3 GLN 52 1HG GLN 52 8.941 -3.287 -10.449 768 HE21 GLN 52 1HE2 GLN 52 7.225 -4.897 -7.920 769 HE22 GLN 52 2HE2 GLN 52 8.097 -4.200 -6.602 770 H LYS 53 H LYS 53 4.972 -0.017 -9.975 771 HA LYS 53 HA LYS 53 4.696 0.576 -12.777 772 HB2 LYS 53 2HB LYS 53 2.795 0.023 -11.193 773 HB3 LYS 53 1HB LYS 53 2.997 1.639 -10.533 774 HG2 LYS 53 2HG LYS 53 2.524 2.594 -12.734 775 HG3 LYS 53 1HG LYS 53 2.311 0.967 -13.386 776 HD2 LYS 53 2HD LYS 53 0.135 1.767 -12.923 777 HD3 LYS 53 1HD LYS 53 0.526 0.642 -11.620 778 HE2 LYS 53 2HE LYS 53 -0.490 2.547 -10.623 779 HE3 LYS 53 1HE LYS 53 1.233 2.610 -10.249 780 HZ1 LYS 53 3HZ LYS 53 1.478 4.172 -12.148 781 HZ2 LYS 53 1HZ LYS 53 0.513 4.776 -10.891 782 HZ3 LYS 53 2HZ LYS 53 -0.211 4.193 -12.308 783 H ARG 54 H ARG 54 6.086 2.071 -10.090 784 HA ARG 54 HA ARG 54 5.809 4.742 -11.238 785 HB2 ARG 54 2HB ARG 54 5.368 4.030 -8.726 786 HB3 ARG 54 1HB ARG 54 7.109 4.216 -8.596 787 HG2 ARG 54 2HG ARG 54 6.521 6.329 -8.033 788 HG3 ARG 54 1HG ARG 54 6.509 6.537 -9.787 789 HD2 ARG 54 2HD ARG 54 4.149 6.299 -9.888 790 HD3 ARG 54 1HD ARG 54 4.073 5.738 -8.222 791 HE ARG 54 HE ARG 54 5.198 8.348 -8.446 792 HH11 ARG 54 1HH1 ARG 54 2.153 6.625 -8.326 793 HH12 ARG 54 2HH1 ARG 54 1.271 7.983 -7.700 794 HH21 ARG 54 1HH2 ARG 54 4.045 10.121 -7.631 795 HH22 ARG 54 2HH2 ARG 54 2.350 9.969 -7.279 796 H ASN 55 H ASN 55 8.351 3.038 -9.426 797 HA ASN 55 HA ASN 55 10.299 2.962 -11.360 798 HB2 ASN 55 2HB ASN 55 11.814 4.847 -10.444 799 HB3 ASN 55 1HB ASN 55 10.548 5.270 -11.586 800 HD21 ASN 55 1HD2 ASN 55 10.629 7.401 -10.875 801 HD22 ASN 55 2HD2 ASN 55 9.910 7.894 -9.377 802 H GLY 56 H GLY 56 10.132 3.976 -7.944 803 HA2 GLY 56 2HA GLY 56 10.781 2.774 -6.066 804 HA3 GLY 56 1HA GLY 56 11.353 1.488 -7.117 Start of MODEL 3 1 H LYS 11 H LYS 11 -10.174 11.186 2.811 2 HA LYS 11 HA LYS 11 -9.204 13.196 3.603 3 HB2 LYS 11 2HB LYS 11 -10.519 15.146 4.138 4 HB3 LYS 11 1HB LYS 11 -10.748 14.740 2.444 5 HG2 LYS 11 2HG LYS 11 -12.909 13.736 2.969 6 HG3 LYS 11 1HG LYS 11 -12.674 14.120 4.677 7 HD2 LYS 11 2HD LYS 11 -12.483 16.527 4.030 8 HD3 LYS 11 1HD LYS 11 -12.921 16.067 2.385 9 HE2 LYS 11 2HE LYS 11 -14.612 15.628 4.843 10 HE3 LYS 11 1HE LYS 11 -14.841 16.915 3.660 11 HZ1 LYS 11 2HZ LYS 11 -15.186 15.165 1.966 12 HZ2 LYS 11 3HZ LYS 11 -16.358 15.158 3.189 13 HZ3 LYS 11 1HZ LYS 11 -15.124 13.996 3.194 14 H GLN 12 H GLN 12 -11.478 10.916 4.401 15 HA GLN 12 HA GLN 12 -11.336 11.514 7.259 16 HB2 GLN 12 2HB GLN 12 -12.369 8.921 6.217 17 HB3 GLN 12 1HB GLN 12 -12.872 9.825 7.629 18 HG2 GLN 12 2HG GLN 12 -14.016 11.443 6.230 19 HG3 GLN 12 1HG GLN 12 -13.487 10.583 4.784 20 HE21 GLN 12 1HE2 GLN 12 -14.425 8.617 4.264 21 HE22 GLN 12 2HE2 GLN 12 -15.902 8.073 4.987 22 H LYS 13 H LYS 13 -10.238 10.098 8.689 23 HA LYS 13 HA LYS 13 -8.136 8.595 7.304 24 HB2 LYS 13 2HB LYS 13 -6.464 9.415 8.874 25 HB3 LYS 13 1HB LYS 13 -7.220 10.734 8.010 26 HG2 LYS 13 2HG LYS 13 -7.200 11.629 10.080 27 HG3 LYS 13 1HG LYS 13 -8.745 10.785 10.177 28 HD2 LYS 13 2HD LYS 13 -7.674 8.919 11.308 29 HD3 LYS 13 1HD LYS 13 -6.102 9.709 11.155 30 HE2 LYS 13 2HE LYS 13 -7.064 9.986 13.401 31 HE3 LYS 13 1HE LYS 13 -6.848 11.531 12.581 32 HZ1 LYS 13 3HZ LYS 13 -8.977 11.507 13.634 33 HZ2 LYS 13 1HZ LYS 13 -9.388 10.028 12.922 34 HZ3 LYS 13 2HZ LYS 13 -9.231 11.416 11.966 35 H ALA 14 H ALA 14 -7.633 6.696 7.972 36 HA ALA 14 HA ALA 14 -8.757 5.703 10.511 37 HB1 ALA 14 1HB ALA 14 -9.922 4.738 8.595 38 HB2 ALA 14 2HB ALA 14 -8.958 3.516 9.423 39 HB3 ALA 14 3HB ALA 14 -8.382 4.216 7.908 40 H VAL 15 H VAL 15 -7.455 3.638 11.169 41 HA VAL 15 HA VAL 15 -4.605 4.238 10.730 42 HB VAL 15 HB VAL 15 -5.501 2.540 13.001 43 HG11 VAL 15 1HG1 VAL 15 -3.229 4.475 12.659 44 HG12 VAL 15 2HG1 VAL 15 -3.137 2.717 12.554 45 HG13 VAL 15 3HG1 VAL 15 -3.528 3.490 14.091 46 HG21 VAL 15 3HG2 VAL 15 -5.721 4.506 14.452 47 HG22 VAL 15 1HG2 VAL 15 -6.952 4.470 13.191 48 HG23 VAL 15 2HG2 VAL 15 -5.563 5.549 13.035 49 H PHE 16 H PHE 16 -3.186 2.367 10.711 50 HA PHE 16 HA PHE 16 -4.397 -0.192 10.086 51 HB2 PHE 16 2HB PHE 16 -4.262 1.348 7.982 52 HB3 PHE 16 1HB PHE 16 -2.542 0.989 8.046 53 HD1 PHE 16 2HD PHE 16 -5.525 -1.132 8.696 54 HD2 PHE 16 1HD PHE 16 -2.065 -0.458 6.311 55 HE1 PHE 16 2HE PHE 16 -5.950 -3.234 7.491 56 HE2 PHE 16 1HE PHE 16 -2.488 -2.557 5.098 57 HZ PHE 16 HZ PHE 16 -4.429 -3.948 5.696 58 H GLY 17 H GLY 17 -3.218 -1.618 11.138 59 HA2 GLY 17 2HA GLY 17 -0.312 -1.142 11.389 60 HA3 GLY 17 1HA GLY 17 -1.284 -1.725 12.737 61 H ILE 18 H ILE 18 0.390 -2.563 9.861 62 HA ILE 18 HA ILE 18 -0.512 -5.352 10.148 63 HB ILE 18 HB ILE 18 -0.182 -5.605 7.704 64 HG12 ILE 18 2HG1 ILE 18 -0.104 -2.580 7.644 65 HG13 ILE 18 1HG1 ILE 18 1.341 -3.579 7.503 66 HG21 ILE 18 1HG2 ILE 18 -2.170 -3.538 8.613 67 HG22 ILE 18 2HG2 ILE 18 -2.390 -5.289 8.621 68 HG23 ILE 18 3HG2 ILE 18 -2.259 -4.423 7.090 69 HD11 ILE 18 3HD1 ILE 18 -1.013 -3.578 5.634 70 HD12 ILE 18 1HD1 ILE 18 0.418 -4.595 5.482 71 HD13 ILE 18 2HD1 ILE 18 0.561 -2.844 5.333 72 H TYR 19 H TYR 19 1.004 -6.940 9.191 73 HA TYR 19 HA TYR 19 3.784 -6.121 9.648 74 HB2 TYR 19 2HB TYR 19 2.559 -8.891 9.676 75 HB3 TYR 19 1HB TYR 19 4.264 -8.540 9.927 76 HD1 TYR 19 1HD TYR 19 4.687 -6.734 11.890 77 HD2 TYR 19 2HD TYR 19 1.272 -9.254 11.532 78 HE1 TYR 19 1HE TYR 19 4.299 -6.551 14.299 79 HE2 TYR 19 2HE TYR 19 0.869 -9.054 13.948 80 HH TYR 19 HH TYR 19 2.361 -6.741 15.873 81 H MET 20 H MET 20 4.395 -5.380 7.697 82 HA MET 20 HA MET 20 4.003 -7.113 5.345 83 HB2 MET 20 2HB MET 20 4.366 -5.107 3.983 84 HB3 MET 20 1HB MET 20 3.044 -4.854 5.114 85 HG2 MET 20 2HG MET 20 4.710 -3.698 6.613 86 HG3 MET 20 1HG MET 20 5.840 -3.754 5.261 87 HE1 MET 20 3HE MET 20 5.510 -2.395 2.985 88 HE2 MET 20 1HE MET 20 4.011 -1.550 2.582 89 HE3 MET 20 2HE MET 20 4.013 -3.304 2.754 90 H ASP 21 H ASP 21 5.841 -7.221 3.800 91 HA ASP 21 HA ASP 21 8.200 -7.984 5.066 92 HB2 ASP 21 2HB ASP 21 7.475 -7.474 2.222 93 HB3 ASP 21 1HB ASP 21 9.178 -7.512 2.643 94 H LYS 22 H LYS 22 10.343 -7.090 4.883 95 HA LYS 22 HA LYS 22 10.299 -4.305 5.623 96 HB2 LYS 22 2HB LYS 22 11.702 -5.824 6.907 97 HB3 LYS 22 1HB LYS 22 12.546 -6.324 5.444 98 HG2 LYS 22 2HG LYS 22 13.431 -4.075 5.171 99 HG3 LYS 22 1HG LYS 22 12.589 -3.565 6.639 100 HD2 LYS 22 2HD LYS 22 13.883 -5.283 7.900 101 HD3 LYS 22 1HD LYS 22 14.798 -5.607 6.426 102 HE2 LYS 22 2HE LYS 22 15.504 -3.242 6.384 103 HE3 LYS 22 1HE LYS 22 14.646 -2.979 7.901 104 HZ1 LYS 22 3HZ LYS 22 16.956 -3.332 8.343 105 HZ2 LYS 22 1HZ LYS 22 16.965 -4.783 7.464 106 HZ3 LYS 22 2HZ LYS 22 16.098 -4.676 8.917 107 H ASP 23 H ASP 23 12.162 -6.234 3.321 108 HA ASP 23 HA ASP 23 13.524 -4.282 1.997 109 HB2 ASP 23 2HB ASP 23 13.894 -6.649 1.605 110 HB3 ASP 23 1HB ASP 23 12.313 -6.801 0.854 111 H LEU 24 H LEU 24 10.206 -5.260 1.468 112 HA LEU 24 HA LEU 24 9.825 -3.693 -0.887 113 HB2 LEU 24 2HB LEU 24 8.616 -5.709 -0.674 114 HB3 LEU 24 1HB LEU 24 8.101 -5.312 0.948 115 HG LEU 24 HG LEU 24 6.420 -5.278 -1.039 116 HD11 LEU 24 1HD1 LEU 24 6.562 -3.141 1.072 117 HD12 LEU 24 2HD1 LEU 24 5.950 -4.781 1.280 118 HD13 LEU 24 3HD1 LEU 24 5.103 -3.654 0.217 119 HD21 LEU 24 3HD2 LEU 24 6.111 -3.121 -2.067 120 HD22 LEU 24 1HD2 LEU 24 7.747 -3.682 -2.408 121 HD23 LEU 24 2HD2 LEU 24 7.477 -2.454 -1.173 122 H LYS 25 H LYS 25 8.572 -3.426 2.471 123 HA LYS 25 HA LYS 25 7.358 -0.915 2.175 124 HB2 LYS 25 2HB LYS 25 7.134 -2.526 4.116 125 HB3 LYS 25 1HB LYS 25 8.710 -1.977 4.668 126 HG2 LYS 25 2HG LYS 25 7.776 0.334 4.773 127 HG3 LYS 25 1HG LYS 25 6.193 -0.361 4.422 128 HD2 LYS 25 2HD LYS 25 6.119 -0.323 6.708 129 HD3 LYS 25 1HD LYS 25 6.790 -1.935 6.433 130 HE2 LYS 25 2HE LYS 25 8.405 0.549 7.023 131 HE3 LYS 25 1HE LYS 25 7.969 -0.678 8.212 132 HZ1 LYS 25 3HZ LYS 25 10.171 -1.114 7.486 133 HZ2 LYS 25 1HZ LYS 25 9.736 -1.010 5.851 134 HZ3 LYS 25 2HZ LYS 25 9.184 -2.299 6.792 135 H THR 26 H THR 26 10.618 -1.930 2.755 136 HA THR 26 HA THR 26 11.665 0.636 3.472 137 HB THR 26 HB THR 26 12.984 -1.989 2.758 138 HG1 THR 26 1HG THR 26 12.444 -0.574 5.159 139 HG21 THR 26 3HG2 THR 26 15.093 -1.015 3.560 140 HG22 THR 26 1HG2 THR 26 14.310 0.557 3.720 141 HG23 THR 26 2HG2 THR 26 14.507 -0.171 2.125 142 H ARG 27 H ARG 27 11.481 -1.279 0.538 143 HA ARG 27 HA ARG 27 12.941 0.335 -1.196 144 HB2 ARG 27 2HB ARG 27 12.202 -1.682 -2.106 145 HB3 ARG 27 1HB ARG 27 10.570 -1.476 -1.497 146 HG2 ARG 27 2HG ARG 27 10.571 -1.296 -3.881 147 HG3 ARG 27 1HG ARG 27 10.183 0.271 -3.160 148 HD2 ARG 27 2HD ARG 27 11.721 0.539 -5.036 149 HD3 ARG 27 1HD ARG 27 12.491 1.008 -3.519 150 HE ARG 27 HE ARG 27 13.020 -1.717 -4.158 151 HH11 ARG 27 1HH1 ARG 27 13.946 1.566 -4.989 152 HH12 ARG 27 2HH1 ARG 27 15.546 1.110 -5.488 153 HH21 ARG 27 1HH2 ARG 27 15.108 -2.312 -4.809 154 HH22 ARG 27 2HH2 ARG 27 16.219 -1.092 -5.368 155 H LEU 28 H LEU 28 9.496 0.466 -0.408 156 HA LEU 28 HA LEU 28 8.883 2.874 -1.704 157 HB2 LEU 28 2HB LEU 28 7.314 1.150 -0.816 158 HB3 LEU 28 1HB LEU 28 7.630 1.751 0.795 159 HG LEU 28 HG LEU 28 5.483 2.474 -0.340 160 HD11 LEU 28 1HD1 LEU 28 6.428 3.469 1.682 161 HD12 LEU 28 2HD1 LEU 28 5.553 4.639 0.689 162 HD13 LEU 28 3HD1 LEU 28 7.320 4.617 0.682 163 HD21 LEU 28 3HD2 LEU 28 5.628 4.402 -1.822 164 HD22 LEU 28 1HD2 LEU 28 6.429 2.996 -2.526 165 HD23 LEU 28 2HD2 LEU 28 7.391 4.291 -1.808 166 H LYS 29 H LYS 29 10.177 2.236 1.527 167 HA LYS 29 HA LYS 29 10.033 4.814 2.584 168 HB2 LYS 29 2HB LYS 29 10.656 2.887 3.937 169 HB3 LYS 29 1HB LYS 29 12.127 2.677 3.003 170 HG2 LYS 29 2HG LYS 29 11.667 5.234 4.476 171 HG3 LYS 29 1HG LYS 29 12.209 3.800 5.346 172 HD2 LYS 29 2HD LYS 29 14.165 3.633 3.946 173 HD3 LYS 29 1HD LYS 29 13.592 4.954 2.925 174 HE2 LYS 29 2HE LYS 29 15.317 5.715 4.478 175 HE3 LYS 29 1HE LYS 29 13.771 6.500 4.800 176 HZ1 LYS 29 3HZ LYS 29 14.962 5.754 6.812 177 HZ2 LYS 29 1HZ LYS 29 14.790 4.149 6.298 178 HZ3 LYS 29 2HZ LYS 29 13.415 5.075 6.666 179 H VAL 30 H VAL 30 12.421 3.331 0.480 180 HA VAL 30 HA VAL 30 14.179 5.532 0.346 181 HB VAL 30 HB VAL 30 13.711 3.316 -1.625 182 HG11 VAL 30 1HG1 VAL 30 16.047 5.201 -1.368 183 HG12 VAL 30 2HG1 VAL 30 14.867 5.174 -2.681 184 HG13 VAL 30 3HG1 VAL 30 15.965 3.811 -2.450 185 HG21 VAL 30 3HG2 VAL 30 15.546 2.199 -0.531 186 HG22 VAL 30 1HG2 VAL 30 14.298 2.606 0.652 187 HG23 VAL 30 2HG2 VAL 30 15.770 3.577 0.552 188 H TYR 31 H TYR 31 11.344 4.623 -1.408 189 HA TYR 31 HA TYR 31 11.460 6.570 -3.438 190 HB2 TYR 31 2HB TYR 31 9.993 4.651 -3.612 191 HB3 TYR 31 1HB TYR 31 9.130 5.132 -2.151 192 HD1 TYR 31 2HD TYR 31 9.955 6.354 -5.560 193 HD2 TYR 31 1HD TYR 31 7.194 6.373 -2.339 194 HE1 TYR 31 2HE TYR 31 8.392 7.643 -6.918 195 HE2 TYR 31 1HE TYR 31 5.614 7.665 -3.690 196 HH TYR 31 HH TYR 31 5.723 9.244 -5.665 197 H CYS 32 H CYS 32 10.157 6.513 -0.172 198 HA CYS 32 HA CYS 32 8.985 9.124 -0.329 199 HB2 CYS 32 2HB CYS 32 9.692 7.455 2.088 200 HB3 CYS 32 1HB CYS 32 8.678 8.892 2.103 201 HG CYS 32 HG CYS 32 7.961 5.883 0.654 202 H ALA 33 H ALA 33 12.127 7.903 0.376 203 HA ALA 33 HA ALA 33 13.059 10.325 1.620 204 HB1 ALA 33 1HB ALA 33 14.601 7.984 0.508 205 HB2 ALA 33 2HB ALA 33 14.038 8.148 2.170 206 HB3 ALA 33 3HB ALA 33 15.253 9.262 1.537 207 H LYS 34 H LYS 34 13.126 8.835 -1.547 208 HA LYS 34 HA LYS 34 14.885 10.691 -2.748 209 HB2 LYS 34 2HB LYS 34 14.511 8.400 -3.612 210 HB3 LYS 34 1HB LYS 34 12.863 8.845 -4.031 211 HG2 LYS 34 2HG LYS 34 13.809 10.584 -5.551 212 HG3 LYS 34 1HG LYS 34 15.403 9.910 -5.221 213 HD2 LYS 34 2HD LYS 34 13.123 8.266 -6.308 214 HD3 LYS 34 1HD LYS 34 14.264 9.118 -7.346 215 HE2 LYS 34 2HE LYS 34 15.117 6.954 -7.228 216 HE3 LYS 34 1HE LYS 34 16.083 7.848 -6.059 217 HZ1 LYS 34 3HZ LYS 34 13.815 6.011 -5.482 218 HZ2 LYS 34 1HZ LYS 34 14.585 6.976 -4.314 219 HZ3 LYS 34 2HZ LYS 34 15.456 5.770 -5.113 220 H ASN 35 H ASN 35 11.375 10.405 -2.653 221 HA ASN 35 HA ASN 35 11.137 12.892 -4.171 222 HB2 ASN 35 2HB ASN 35 9.081 10.893 -3.215 223 HB3 ASN 35 1HB ASN 35 8.676 12.386 -4.056 224 HD21 ASN 35 1HD2 ASN 35 10.198 9.265 -4.341 225 HD22 ASN 35 2HD2 ASN 35 10.197 9.213 -6.075 226 H ASN 36 H ASN 36 11.761 12.150 -1.120 227 HA ASN 36 HA ASN 36 11.314 12.968 0.960 228 HB2 ASN 36 2HB ASN 36 10.769 15.362 -0.768 229 HB3 ASN 36 1HB ASN 36 10.652 15.453 0.988 230 HD21 ASN 36 1HD2 ASN 36 12.472 16.802 -0.842 231 HD22 ASN 36 2HD2 ASN 36 14.068 16.370 -0.331 232 H LEU 37 H LEU 37 9.115 11.667 -0.562 233 HA LEU 37 HA LEU 37 6.658 12.902 0.197 234 HB2 LEU 37 2HB LEU 37 7.539 10.552 -1.258 235 HB3 LEU 37 1HB LEU 37 6.172 10.196 -0.220 236 HG LEU 37 HG LEU 37 4.848 11.925 -1.308 237 HD11 LEU 37 1HD1 LEU 37 6.647 13.491 -1.842 238 HD12 LEU 37 2HD1 LEU 37 5.671 13.114 -3.260 239 HD13 LEU 37 3HD1 LEU 37 7.259 12.371 -3.062 240 HD21 LEU 37 3HD2 LEU 37 4.790 9.688 -2.229 241 HD22 LEU 37 1HD2 LEU 37 6.193 10.042 -3.239 242 HD23 LEU 37 2HD2 LEU 37 4.667 10.881 -3.522 243 H GLN 38 H GLN 38 5.053 11.798 1.544 244 HA GLN 38 HA GLN 38 6.176 10.941 4.062 245 HB2 GLN 38 2HB GLN 38 3.297 11.247 3.189 246 HB3 GLN 38 1HB GLN 38 3.830 10.889 4.826 247 HG2 GLN 38 2HG GLN 38 4.949 13.022 4.965 248 HG3 GLN 38 1HG GLN 38 4.517 13.375 3.294 249 HE21 GLN 38 1HE2 GLN 38 2.371 13.885 2.794 250 HE22 GLN 38 2HE2 GLN 38 1.232 14.332 4.013 251 H LEU 39 H LEU 39 6.262 8.881 4.771 252 HA LEU 39 HA LEU 39 6.140 6.661 3.173 253 HB2 LEU 39 2HB LEU 39 6.567 7.164 5.879 254 HB3 LEU 39 1HB LEU 39 5.234 6.029 5.858 255 HG LEU 39 HG LEU 39 7.145 4.695 6.059 256 HD11 LEU 39 1HD1 LEU 39 7.301 3.443 3.979 257 HD12 LEU 39 2HD1 LEU 39 6.506 4.763 3.120 258 HD13 LEU 39 3HD1 LEU 39 5.628 3.858 4.352 259 HD21 LEU 39 3HD2 LEU 39 8.414 6.321 3.863 260 HD22 LEU 39 1HD2 LEU 39 9.129 4.909 4.643 261 HD23 LEU 39 2HD2 LEU 39 8.824 6.374 5.578 262 H THR 40 H THR 40 3.561 7.856 5.290 263 HA THR 40 HA THR 40 1.682 5.877 4.686 264 HB THR 40 HB THR 40 1.059 8.707 5.500 265 HG1 THR 40 1HG THR 40 1.782 8.259 7.463 266 HG21 THR 40 3HG2 THR 40 -0.886 7.349 4.924 267 HG22 THR 40 1HG2 THR 40 -0.843 7.674 6.657 268 HG23 THR 40 2HG2 THR 40 -0.351 6.095 6.044 269 H GLN 41 H GLN 41 2.067 9.169 3.397 270 HA GLN 41 HA GLN 41 -0.054 9.223 1.633 271 HB2 GLN 41 2HB GLN 41 1.541 11.097 2.198 272 HB3 GLN 41 1HB GLN 41 2.685 10.370 1.079 273 HG2 GLN 41 2HG GLN 41 0.945 10.610 -0.711 274 HG3 GLN 41 1HG GLN 41 -0.007 11.549 0.440 275 HE21 GLN 41 1HE2 GLN 41 2.777 11.486 -1.605 276 HE22 GLN 41 2HE2 GLN 41 3.187 13.163 -1.445 277 H ALA 42 H ALA 42 3.165 7.859 1.238 278 HA ALA 42 HA ALA 42 2.947 7.204 -1.508 279 HB1 ALA 42 1HB ALA 42 4.662 5.952 0.616 280 HB2 ALA 42 2HB ALA 42 5.079 7.375 -0.343 281 HB3 ALA 42 3HB ALA 42 4.888 5.805 -1.126 282 H ILE 43 H ILE 43 2.447 5.280 1.456 283 HA ILE 43 HA ILE 43 1.725 2.875 0.223 284 HB ILE 43 HB ILE 43 1.218 4.081 2.889 285 HG12 ILE 43 2HG1 ILE 43 1.996 1.816 3.618 286 HG13 ILE 43 1HG1 ILE 43 2.154 1.377 1.923 287 HG21 ILE 43 1HG2 ILE 43 -0.413 1.734 1.932 288 HG22 ILE 43 2HG2 ILE 43 -1.022 3.366 2.245 289 HG23 ILE 43 3HG2 ILE 43 -0.374 2.393 3.572 290 HD11 ILE 43 3HD1 ILE 43 3.685 3.486 3.409 291 HD12 ILE 43 1HD1 ILE 43 3.764 3.245 1.662 292 HD13 ILE 43 2HD1 ILE 43 4.297 1.967 2.754 293 H GLU 44 H GLU 44 -0.266 5.633 1.147 294 HA GLU 44 HA GLU 44 -2.745 4.511 0.441 295 HB2 GLU 44 2HB GLU 44 -1.908 7.417 0.499 296 HB3 GLU 44 1HB GLU 44 -3.569 6.847 0.425 297 HG2 GLU 44 2HG GLU 44 -3.318 5.791 2.591 298 HG3 GLU 44 1HG GLU 44 -1.639 6.307 2.665 299 H GLU 45 H GLU 45 -0.542 6.585 -1.420 300 HA GLU 45 HA GLU 45 -2.125 6.563 -3.770 301 HB2 GLU 45 2HB GLU 45 0.841 7.031 -3.438 302 HB3 GLU 45 1HB GLU 45 -0.074 7.357 -4.906 303 HG2 GLU 45 2HG GLU 45 -0.462 8.689 -2.233 304 HG3 GLU 45 1HG GLU 45 0.309 9.394 -3.652 305 H ALA 46 H ALA 46 0.290 4.429 -2.428 306 HA ALA 46 HA ALA 46 0.767 2.856 -4.719 307 HB1 ALA 46 1HB ALA 46 0.867 2.009 -1.817 308 HB2 ALA 46 2HB ALA 46 2.174 2.816 -2.685 309 HB3 ALA 46 3HB ALA 46 1.654 1.203 -3.178 310 H ILE 47 H ILE 47 -1.324 2.288 -1.914 311 HA ILE 47 HA ILE 47 -2.513 -0.018 -2.933 312 HB ILE 47 HB ILE 47 -2.395 0.502 -0.555 313 HG12 ILE 47 2HG1 ILE 47 -5.263 0.345 -1.460 314 HG13 ILE 47 1HG1 ILE 47 -4.158 -1.025 -1.403 315 HG21 ILE 47 1HG2 ILE 47 -3.924 2.142 0.447 316 HG22 ILE 47 2HG2 ILE 47 -4.345 2.695 -1.175 317 HG23 ILE 47 3HG2 ILE 47 -2.691 2.880 -0.580 318 HD11 ILE 47 3HD1 ILE 47 -5.166 0.605 0.908 319 HD12 ILE 47 1HD1 ILE 47 -3.886 -0.603 1.033 320 HD13 ILE 47 2HD1 ILE 47 -5.507 -1.090 0.540 321 H LYS 48 H LYS 48 -3.259 3.367 -3.274 322 HA LYS 48 HA LYS 48 -5.885 3.098 -4.261 323 HB2 LYS 48 2HB LYS 48 -5.121 5.255 -3.507 324 HB3 LYS 48 1HB LYS 48 -3.785 5.227 -4.643 325 HG2 LYS 48 2HG LYS 48 -5.502 6.761 -5.393 326 HG3 LYS 48 1HG LYS 48 -5.340 5.413 -6.514 327 HD2 LYS 48 2HD LYS 48 -7.675 5.938 -6.189 328 HD3 LYS 48 1HD LYS 48 -7.327 4.360 -5.488 329 HE2 LYS 48 2HE LYS 48 -8.750 5.603 -3.994 330 HE3 LYS 48 1HE LYS 48 -7.152 5.432 -3.269 331 HZ1 LYS 48 3HZ LYS 48 -8.150 7.849 -4.677 332 HZ2 LYS 48 1HZ LYS 48 -6.622 7.682 -3.967 333 HZ3 LYS 48 2HZ LYS 48 -8.011 7.675 -2.997 334 H GLU 49 H GLU 49 -2.819 3.651 -6.012 335 HA GLU 49 HA GLU 49 -4.054 3.277 -8.542 336 HB2 GLU 49 2HB GLU 49 -1.222 3.571 -7.592 337 HB3 GLU 49 1HB GLU 49 -1.494 2.956 -9.215 338 HG2 GLU 49 2HG GLU 49 -2.393 4.971 -9.980 339 HG3 GLU 49 1HG GLU 49 -2.801 5.516 -8.351 340 H TYR 50 H TYR 50 -3.143 1.123 -6.174 341 HA TYR 50 HA TYR 50 -2.506 -1.084 -7.840 342 HB2 TYR 50 2HB TYR 50 -1.640 -1.073 -5.630 343 HB3 TYR 50 1HB TYR 50 -3.238 -0.812 -4.939 344 HD1 TYR 50 2HD TYR 50 -1.312 -3.288 -6.940 345 HD2 TYR 50 1HD TYR 50 -4.410 -2.596 -4.122 346 HE1 TYR 50 2HE TYR 50 -1.546 -5.710 -6.623 347 HE2 TYR 50 1HE TYR 50 -4.660 -5.029 -3.779 348 HH TYR 50 HH TYR 50 -4.169 -7.135 -5.146 349 H LEU 51 H LEU 51 -5.356 -0.041 -6.009 350 HA LEU 51 HA LEU 51 -7.071 -2.109 -6.818 351 HB2 LEU 51 2HB LEU 51 -7.449 0.621 -5.732 352 HB3 LEU 51 1HB LEU 51 -8.826 -0.137 -6.494 353 HG LEU 51 HG LEU 51 -9.266 -1.032 -4.506 354 HD11 LEU 51 1HD1 LEU 51 -8.021 -3.029 -3.839 355 HD12 LEU 51 2HD1 LEU 51 -6.756 -2.618 -4.999 356 HD13 LEU 51 3HD1 LEU 51 -8.380 -3.011 -5.566 357 HD21 LEU 51 3HD2 LEU 51 -7.932 0.599 -3.370 358 HD22 LEU 51 1HD2 LEU 51 -6.456 -0.308 -3.712 359 HD23 LEU 51 2HD2 LEU 51 -7.666 -0.974 -2.614 360 H GLN 52 H GLN 52 -6.263 0.955 -8.315 361 HA GLN 52 HA GLN 52 -8.268 0.714 -10.345 362 HB2 GLN 52 2HB GLN 52 -6.090 2.609 -9.693 363 HB3 GLN 52 1HB GLN 52 -6.550 2.527 -11.384 364 HG2 GLN 52 2HG GLN 52 -7.753 4.303 -10.347 365 HG3 GLN 52 1HG GLN 52 -8.882 3.017 -10.745 366 HE21 GLN 52 1HE2 GLN 52 -8.971 5.237 -8.792 367 HE22 GLN 52 2HE2 GLN 52 -9.320 4.494 -7.265 368 H LYS 53 H LYS 53 -4.958 -0.231 -10.001 369 HA LYS 53 HA LYS 53 -4.518 -0.929 -12.747 370 HB2 LYS 53 2HB LYS 53 -2.711 -0.371 -11.133 371 HB3 LYS 53 1HB LYS 53 -3.090 -1.837 -10.252 372 HG2 LYS 53 2HG LYS 53 -2.429 -3.187 -12.149 373 HG3 LYS 53 1HG LYS 53 -2.104 -1.725 -13.088 374 HD2 LYS 53 2HD LYS 53 -0.382 -1.065 -11.506 375 HD3 LYS 53 1HD LYS 53 -0.738 -2.473 -10.507 376 HE2 LYS 53 2HE LYS 53 0.219 -2.616 -13.360 377 HE3 LYS 53 1HE LYS 53 1.276 -2.718 -11.951 378 HZ1 LYS 53 3HZ LYS 53 0.746 -4.911 -12.726 379 HZ2 LYS 53 1HZ LYS 53 -0.920 -4.598 -12.649 380 HZ3 LYS 53 2HZ LYS 53 -0.006 -4.671 -11.223 381 H ARG 54 H ARG 54 -6.183 -2.310 -10.146 382 HA ARG 54 HA ARG 54 -5.862 -5.023 -11.200 383 HB2 ARG 54 2HB ARG 54 -5.372 -4.160 -8.719 384 HB3 ARG 54 1HB ARG 54 -7.081 -4.510 -8.544 385 HG2 ARG 54 2HG ARG 54 -6.270 -6.554 -7.956 386 HG3 ARG 54 1HG ARG 54 -6.284 -6.790 -9.709 387 HD2 ARG 54 2HD ARG 54 -3.993 -6.448 -9.903 388 HD3 ARG 54 1HD ARG 54 -3.887 -5.633 -8.347 389 HE ARG 54 HE ARG 54 -4.705 -8.310 -7.961 390 HH11 ARG 54 1HH1 ARG 54 -1.909 -6.429 -8.878 391 HH12 ARG 54 2HH1 ARG 54 -0.766 -7.535 -8.190 392 HH21 ARG 54 1HH2 ARG 54 -3.205 -9.796 -7.057 393 HH22 ARG 54 2HH2 ARG 54 -1.497 -9.469 -7.191 394 H ASN 55 H ASN 55 -8.362 -3.340 -9.307 395 HA ASN 55 HA ASN 55 -10.427 -3.350 -11.109 396 HB2 ASN 55 2HB ASN 55 -11.802 -5.300 -10.093 397 HB3 ASN 55 1HB ASN 55 -10.617 -5.657 -11.339 398 HD21 ASN 55 1HD2 ASN 55 -10.560 -7.793 -10.656 399 HD22 ASN 55 2HD2 ASN 55 -9.721 -8.281 -9.224 400 H GLY 56 H GLY 56 -10.128 -4.448 -7.710 401 HA2 GLY 56 2HA GLY 56 -10.546 -2.954 -5.877 402 HA3 GLY 56 1HA GLY 56 -11.615 -2.037 -6.925 403 H LYS 11 H LYS 11 10.253 -11.149 2.793 404 HA LYS 11 HA LYS 11 9.273 -13.160 3.565 405 HB2 LYS 11 2HB LYS 11 10.581 -15.118 4.099 406 HB3 LYS 11 1HB LYS 11 10.826 -14.701 2.411 407 HG2 LYS 11 2HG LYS 11 12.984 -13.701 2.963 408 HG3 LYS 11 1HG LYS 11 12.734 -14.102 4.666 409 HD2 LYS 11 2HD LYS 11 12.550 -16.497 3.995 410 HD3 LYS 11 1HD LYS 11 12.998 -16.025 2.357 411 HE2 LYS 11 2HE LYS 11 14.677 -15.612 4.829 412 HE3 LYS 11 1HE LYS 11 14.911 -16.882 3.630 413 HZ1 LYS 11 2HZ LYS 11 15.282 -15.120 1.963 414 HZ2 LYS 11 3HZ LYS 11 16.429 -15.103 3.211 415 HZ3 LYS 11 1HZ LYS 11 15.180 -13.955 3.190 416 H GLN 12 H GLN 12 11.534 -10.888 4.404 417 HA GLN 12 HA GLN 12 11.376 -11.511 7.256 418 HB2 GLN 12 2HB GLN 12 12.424 -8.910 6.240 419 HB3 GLN 12 1HB GLN 12 12.913 -9.823 7.649 420 HG2 GLN 12 2HG GLN 12 14.067 -11.435 6.254 421 HG3 GLN 12 1HG GLN 12 13.552 -10.569 4.806 422 HE21 GLN 12 1HE2 GLN 12 14.491 -8.586 4.318 423 HE22 GLN 12 2HE2 GLN 12 15.973 -8.068 5.041 424 H LYS 13 H LYS 13 10.273 -10.088 8.689 425 HA LYS 13 HA LYS 13 8.170 -8.596 7.298 426 HB2 LYS 13 2HB LYS 13 6.497 -9.429 8.853 427 HB3 LYS 13 1HB LYS 13 7.257 -10.740 7.981 428 HG2 LYS 13 2HG LYS 13 7.232 -11.653 10.043 429 HG3 LYS 13 1HG LYS 13 8.774 -10.802 10.158 430 HD2 LYS 13 2HD LYS 13 7.691 -8.948 11.292 431 HD3 LYS 13 1HD LYS 13 6.122 -9.735 11.118 432 HE2 LYS 13 2HE LYS 13 7.058 -10.025 13.369 433 HE3 LYS 13 1HE LYS 13 6.851 -11.566 12.540 434 HZ1 LYS 13 3HZ LYS 13 8.966 -11.542 13.622 435 HZ2 LYS 13 1HZ LYS 13 9.384 -10.062 12.911 436 HZ3 LYS 13 2HZ LYS 13 9.243 -11.452 11.953 437 H ALA 14 H ALA 14 7.670 -6.697 7.975 438 HA ALA 14 HA ALA 14 8.773 -5.733 10.534 439 HB1 ALA 14 1HB ALA 14 9.951 -4.756 8.633 440 HB2 ALA 14 2HB ALA 14 8.985 -3.536 9.464 441 HB3 ALA 14 3HB ALA 14 8.417 -4.226 7.940 442 H VAL 15 H VAL 15 7.472 -3.671 11.207 443 HA VAL 15 HA VAL 15 4.617 -4.268 10.736 444 HB VAL 15 HB VAL 15 5.501 -2.585 13.027 445 HG11 VAL 15 1HG1 VAL 15 3.230 -4.519 12.653 446 HG12 VAL 15 2HG1 VAL 15 3.140 -2.760 12.560 447 HG13 VAL 15 3HG1 VAL 15 3.518 -3.542 14.096 448 HG21 VAL 15 3HG2 VAL 15 5.717 -4.563 14.462 449 HG22 VAL 15 1HG2 VAL 15 6.953 -4.516 13.206 450 HG23 VAL 15 2HG2 VAL 15 5.564 -5.596 13.037 451 H PHE 16 H PHE 16 3.199 -2.392 10.727 452 HA PHE 16 HA PHE 16 4.422 0.167 10.126 453 HB2 PHE 16 2HB PHE 16 4.299 -1.354 8.011 454 HB3 PHE 16 1HB PHE 16 2.578 -0.997 8.064 455 HD1 PHE 16 2HD PHE 16 5.556 1.120 8.752 456 HD2 PHE 16 1HD PHE 16 2.113 0.467 6.336 457 HE1 PHE 16 2HE PHE 16 5.989 3.231 7.567 458 HE2 PHE 16 1HE PHE 16 2.546 2.573 5.141 459 HZ PHE 16 HZ PHE 16 4.481 3.958 5.764 460 H GLY 17 H GLY 17 3.241 1.587 11.189 461 HA2 GLY 17 2HA GLY 17 0.329 1.112 11.411 462 HA3 GLY 17 1HA GLY 17 1.290 1.687 12.769 463 H ILE 18 H ILE 18 -0.368 2.540 9.887 464 HA ILE 18 HA ILE 18 0.526 5.329 10.193 465 HB ILE 18 HB ILE 18 0.216 5.596 7.750 466 HG12 ILE 18 2HG1 ILE 18 0.134 2.575 7.667 467 HG13 ILE 18 1HG1 ILE 18 -1.309 3.577 7.521 468 HG21 ILE 18 1HG2 ILE 18 2.193 3.517 8.653 469 HG22 ILE 18 2HG2 ILE 18 2.417 5.267 8.678 470 HG23 ILE 18 3HG2 ILE 18 2.291 4.416 7.138 471 HD11 ILE 18 3HD1 ILE 18 1.065 3.582 5.677 472 HD12 ILE 18 1HD1 ILE 18 -0.359 4.610 5.517 473 HD13 ILE 18 2HD1 ILE 18 -0.509 2.862 5.351 474 H TYR 19 H TYR 19 -0.980 6.926 9.251 475 HA TYR 19 HA TYR 19 -3.767 6.102 9.681 476 HB2 TYR 19 2HB TYR 19 -2.544 8.872 9.731 477 HB3 TYR 19 1HB TYR 19 -4.249 8.517 9.969 478 HD1 TYR 19 1HD TYR 19 -4.683 6.702 11.915 479 HD2 TYR 19 2HD TYR 19 -1.264 9.224 11.601 480 HE1 TYR 19 1HE TYR 19 -4.306 6.489 14.323 481 HE2 TYR 19 2HE TYR 19 -0.872 8.997 14.014 482 HH TYR 19 HH TYR 19 -2.440 6.657 15.916 483 H MET 20 H MET 20 -4.360 5.373 7.713 484 HA MET 20 HA MET 20 -3.942 7.126 5.381 485 HB2 MET 20 2HB MET 20 -4.290 5.128 3.998 486 HB3 MET 20 1HB MET 20 -2.982 4.868 5.144 487 HG2 MET 20 2HG MET 20 -4.660 3.698 6.615 488 HG3 MET 20 1HG MET 20 -5.782 3.769 5.254 489 HE1 MET 20 3HE MET 20 -5.433 2.425 2.963 490 HE2 MET 20 1HE MET 20 -3.936 1.581 2.568 491 HE3 MET 20 2HE MET 20 -3.935 3.335 2.751 492 H ASP 21 H ASP 21 -5.770 7.242 3.816 493 HA ASP 21 HA ASP 21 -8.140 7.999 5.075 494 HB2 ASP 21 2HB ASP 21 -7.392 7.513 2.230 495 HB3 ASP 21 1HB ASP 21 -9.097 7.555 2.639 496 H LYS 22 H LYS 22 -10.282 7.104 4.857 497 HA LYS 22 HA LYS 22 -10.240 4.316 5.576 498 HB2 LYS 22 2HB LYS 22 -11.650 5.821 6.863 499 HB3 LYS 22 1HB LYS 22 -12.488 6.335 5.399 500 HG2 LYS 22 2HG LYS 22 -13.369 4.083 5.104 501 HG3 LYS 22 1HG LYS 22 -12.540 3.566 6.576 502 HD2 LYS 22 2HD LYS 22 -13.852 5.268 7.839 503 HD3 LYS 22 1HD LYS 22 -14.754 5.603 6.358 504 HE2 LYS 22 2HE LYS 22 -15.460 3.239 6.287 505 HE3 LYS 22 1HE LYS 22 -14.607 2.959 7.805 506 HZ1 LYS 22 3HZ LYS 22 -16.932 3.312 8.232 507 HZ2 LYS 22 1HZ LYS 22 -16.916 4.779 7.383 508 HZ3 LYS 22 2HZ LYS 22 -16.060 4.633 8.837 509 H ASP 23 H ASP 23 -12.096 6.259 3.281 510 HA ASP 23 HA ASP 23 -13.442 4.319 1.929 511 HB2 ASP 23 2HB ASP 23 -13.811 6.691 1.551 512 HB3 ASP 23 1HB ASP 23 -12.222 6.851 0.820 513 H LEU 24 H LEU 24 -10.122 5.300 1.439 514 HA LEU 24 HA LEU 24 -9.721 3.755 -0.929 515 HB2 LEU 24 2HB LEU 24 -8.512 5.769 -0.695 516 HB3 LEU 24 1HB LEU 24 -8.011 5.366 0.930 517 HG LEU 24 HG LEU 24 -6.314 5.340 -1.043 518 HD11 LEU 24 1HD1 LEU 24 -6.476 3.191 1.054 519 HD12 LEU 24 2HD1 LEU 24 -5.861 4.828 1.274 520 HD13 LEU 24 3HD1 LEU 24 -5.009 3.704 0.213 521 HD21 LEU 24 3HD2 LEU 24 -5.997 3.190 -2.081 522 HD22 LEU 24 1HD2 LEU 24 -7.630 3.754 -2.432 523 HD23 LEU 24 2HD2 LEU 24 -7.372 2.518 -1.202 524 H LYS 25 H LYS 25 -8.489 3.461 2.437 525 HA LYS 25 HA LYS 25 -7.274 0.952 2.130 526 HB2 LYS 25 2HB LYS 25 -7.068 2.546 4.085 527 HB3 LYS 25 1HB LYS 25 -8.648 1.994 4.621 528 HG2 LYS 25 2HG LYS 25 -7.710 -0.319 4.713 529 HG3 LYS 25 1HG LYS 25 -6.129 0.385 4.383 530 HD2 LYS 25 2HD LYS 25 -6.076 0.329 6.670 531 HD3 LYS 25 1HD LYS 25 -6.753 1.939 6.403 532 HE2 LYS 25 2HE LYS 25 -8.363 -0.559 6.952 533 HE3 LYS 25 1HE LYS 25 -7.939 0.655 8.159 534 HZ1 LYS 25 3HZ LYS 25 -10.139 1.088 7.419 535 HZ2 LYS 25 1HZ LYS 25 -9.688 1.018 5.788 536 HZ3 LYS 25 2HZ LYS 25 -9.153 2.292 6.759 537 H THR 26 H THR 26 -10.534 1.959 2.702 538 HA THR 26 HA THR 26 -11.593 -0.609 3.378 539 HB THR 26 HB THR 26 -12.898 2.021 2.666 540 HG1 THR 26 1HG THR 26 -12.513 0.578 5.099 541 HG21 THR 26 3HG2 THR 26 -15.014 1.045 3.455 542 HG22 THR 26 1HG2 THR 26 -14.232 -0.528 3.617 543 HG23 THR 26 2HG2 THR 26 -14.419 0.205 2.024 544 H ARG 27 H ARG 27 -11.378 1.325 0.461 545 HA ARG 27 HA ARG 27 -12.830 -0.271 -1.294 546 HB2 ARG 27 2HB ARG 27 -12.088 1.749 -2.186 547 HB3 ARG 27 1HB ARG 27 -10.462 1.542 -1.562 548 HG2 ARG 27 2HG ARG 27 -10.439 1.382 -3.947 549 HG3 ARG 27 1HG ARG 27 -10.054 -0.190 -3.235 550 HD2 ARG 27 2HD ARG 27 -11.573 -0.450 -5.128 551 HD3 ARG 27 1HD ARG 27 -12.359 -0.930 -3.623 552 HE ARG 27 HE ARG 27 -12.885 1.797 -4.257 553 HH11 ARG 27 1HH1 ARG 27 -13.820 -1.490 -5.111 554 HH12 ARG 27 2HH1 ARG 27 -15.414 -1.010 -5.609 555 HH21 ARG 27 1HH2 ARG 27 -14.981 2.385 -4.918 556 HH22 ARG 27 2HH2 ARG 27 -16.077 1.160 -5.490 557 H LEU 28 H LEU 28 -9.390 -0.411 -0.485 558 HA LEU 28 HA LEU 28 -8.769 -2.808 -1.793 559 HB2 LEU 28 2HB LEU 28 -7.210 -1.091 -0.880 560 HB3 LEU 28 1HB LEU 28 -7.539 -1.702 0.724 561 HG LEU 28 HG LEU 28 -5.377 -2.415 -0.395 562 HD11 LEU 28 1HD1 LEU 28 -6.351 -3.427 1.609 563 HD12 LEU 28 2HD1 LEU 28 -5.460 -4.588 0.619 564 HD13 LEU 28 3HD1 LEU 28 -7.225 -4.569 0.587 565 HD21 LEU 28 3HD2 LEU 28 -5.508 -4.327 -1.898 566 HD22 LEU 28 1HD2 LEU 28 -6.309 -2.919 -2.596 567 HD23 LEU 28 2HD2 LEU 28 -7.270 -4.221 -1.894 568 H LYS 29 H LYS 29 -10.093 -2.195 1.433 569 HA LYS 29 HA LYS 29 -9.952 -4.778 2.477 570 HB2 LYS 29 2HB LYS 29 -10.590 -2.860 3.837 571 HB3 LYS 29 1HB LYS 29 -12.054 -2.647 2.889 572 HG2 LYS 29 2HG LYS 29 -11.603 -5.213 4.345 573 HG3 LYS 29 1HG LYS 29 -12.152 -3.788 5.226 574 HD2 LYS 29 2HD LYS 29 -14.096 -3.605 3.808 575 HD3 LYS 29 1HD LYS 29 -13.517 -4.922 2.785 576 HE2 LYS 29 2HE LYS 29 -15.260 -5.683 4.323 577 HE3 LYS 29 1HE LYS 29 -13.722 -6.476 4.652 578 HZ1 LYS 29 3HZ LYS 29 -14.905 -5.738 6.666 579 HZ2 LYS 29 1HZ LYS 29 -14.749 -4.126 6.153 580 HZ3 LYS 29 2HZ LYS 29 -13.367 -5.046 6.514 581 H VAL 30 H VAL 30 -12.324 -3.284 0.369 582 HA VAL 30 HA VAL 30 -14.083 -5.482 0.202 583 HB VAL 30 HB VAL 30 -13.593 -3.251 -1.750 584 HG11 VAL 30 1HG1 VAL 30 -15.931 -5.137 -1.528 585 HG12 VAL 30 2HG1 VAL 30 -14.740 -5.098 -2.829 586 HG13 VAL 30 3HG1 VAL 30 -15.838 -3.737 -2.598 587 HG21 VAL 30 3HG2 VAL 30 -15.441 -2.146 -0.669 588 HG22 VAL 30 1HG2 VAL 30 -14.207 -2.558 0.526 589 HG23 VAL 30 2HG2 VAL 30 -15.677 -3.529 0.402 590 H TYR 31 H TYR 31 -11.238 -4.558 -1.528 591 HA TYR 31 HA TYR 31 -11.334 -6.489 -3.575 592 HB2 TYR 31 2HB TYR 31 -9.870 -4.568 -3.722 593 HB3 TYR 31 1HB TYR 31 -9.018 -5.054 -2.257 594 HD1 TYR 31 2HD TYR 31 -9.816 -6.253 -5.680 595 HD2 TYR 31 1HD TYR 31 -7.076 -6.303 -2.437 596 HE1 TYR 31 2HE TYR 31 -8.240 -7.530 -7.038 597 HE2 TYR 31 1HE TYR 31 -5.486 -7.582 -3.791 598 HH TYR 31 HH TYR 31 -5.585 -9.141 -5.791 599 H CYS 32 H CYS 32 -10.053 -6.455 -0.302 600 HA CYS 32 HA CYS 32 -8.881 -9.065 -0.467 601 HB2 CYS 32 2HB CYS 32 -9.612 -7.414 1.954 602 HB3 CYS 32 1HB CYS 32 -8.598 -8.854 1.966 603 HG CYS 32 HG CYS 32 -7.874 -5.831 0.557 604 H ALA 33 H ALA 33 -12.025 -7.846 0.224 605 HA ALA 33 HA ALA 33 -12.965 -10.280 1.438 606 HB1 ALA 33 1HB ALA 33 -14.499 -7.930 0.337 607 HB2 ALA 33 2HB ALA 33 -13.959 -8.120 2.005 608 HB3 ALA 33 3HB ALA 33 -15.162 -9.224 1.336 609 H LYS 34 H LYS 34 -13.026 -8.759 -1.715 610 HA LYS 34 HA LYS 34 -14.765 -10.612 -2.938 611 HB2 LYS 34 2HB LYS 34 -14.375 -8.315 -3.784 612 HB3 LYS 34 1HB LYS 34 -12.726 -8.766 -4.194 613 HG2 LYS 34 2HG LYS 34 -13.665 -10.482 -5.739 614 HG3 LYS 34 1HG LYS 34 -15.262 -9.815 -5.411 615 HD2 LYS 34 2HD LYS 34 -12.982 -8.154 -6.464 616 HD3 LYS 34 1HD LYS 34 -14.111 -9.000 -7.519 617 HE2 LYS 34 2HE LYS 34 -14.974 -6.839 -7.391 618 HE3 LYS 34 1HE LYS 34 -15.948 -7.745 -6.239 619 HZ1 LYS 34 3HZ LYS 34 -13.675 -5.925 -5.615 620 HZ2 LYS 34 1HZ LYS 34 -14.489 -6.879 -4.466 621 HZ3 LYS 34 2HZ LYS 34 -15.318 -5.656 -5.285 622 H ASN 35 H ASN 35 -11.254 -10.328 -2.807 623 HA ASN 35 HA ASN 35 -11.002 -12.799 -4.352 624 HB2 ASN 35 2HB ASN 35 -8.955 -10.807 -3.364 625 HB3 ASN 35 1HB ASN 35 -8.541 -12.293 -4.213 626 HD21 ASN 35 1HD2 ASN 35 -10.070 -9.172 -4.490 627 HD22 ASN 35 2HD2 ASN 35 -10.051 -9.108 -6.226 628 H ASN 36 H ASN 36 -11.645 -12.085 -1.302 629 HA ASN 36 HA ASN 36 -11.217 -12.920 0.773 630 HB2 ASN 36 2HB ASN 36 -10.660 -15.308 -0.965 631 HB3 ASN 36 1HB ASN 36 -10.566 -15.410 0.792 632 HD21 ASN 36 1HD2 ASN 36 -12.371 -16.753 -1.052 633 HD22 ASN 36 2HD2 ASN 36 -13.977 -16.303 -0.578 634 H LEU 37 H LEU 37 -9.012 -11.603 -0.715 635 HA LEU 37 HA LEU 37 -6.557 -12.845 0.051 636 HB2 LEU 37 2HB LEU 37 -7.423 -10.483 -1.393 637 HB3 LEU 37 1HB LEU 37 -6.067 -10.139 -0.338 638 HG LEU 37 HG LEU 37 -4.735 -11.858 -1.431 639 HD11 LEU 37 1HD1 LEU 37 -6.528 -13.417 -1.994 640 HD12 LEU 37 2HD1 LEU 37 -5.545 -13.029 -3.406 641 HD13 LEU 37 3HD1 LEU 37 -7.133 -12.287 -3.207 642 HD21 LEU 37 3HD2 LEU 37 -4.666 -9.611 -2.336 643 HD22 LEU 37 1HD2 LEU 37 -6.056 -9.962 -3.365 644 HD23 LEU 37 2HD2 LEU 37 -4.526 -10.796 -3.635 645 H GLN 38 H GLN 38 -4.968 -11.775 1.427 646 HA GLN 38 HA GLN 38 -6.109 -10.917 3.937 647 HB2 GLN 38 2HB GLN 38 -3.224 -11.212 3.084 648 HB3 GLN 38 1HB GLN 38 -3.770 -10.866 4.719 649 HG2 GLN 38 2HG GLN 38 -4.881 -13.004 4.838 650 HG3 GLN 38 1HG GLN 38 -4.437 -13.345 3.166 651 HE21 GLN 38 1HE2 GLN 38 -2.296 -13.854 2.674 652 HE22 GLN 38 2HE2 GLN 38 -1.154 -14.304 3.894 653 H LEU 39 H LEU 39 -6.205 -8.862 4.655 654 HA LEU 39 HA LEU 39 -6.062 -6.629 3.078 655 HB2 LEU 39 2HB LEU 39 -6.512 -7.154 5.774 656 HB3 LEU 39 1HB LEU 39 -5.178 -6.019 5.771 657 HG LEU 39 HG LEU 39 -7.092 -4.691 5.970 658 HD11 LEU 39 1HD1 LEU 39 -7.232 -3.419 3.899 659 HD12 LEU 39 2HD1 LEU 39 -6.430 -4.732 3.036 660 HD13 LEU 39 3HD1 LEU 39 -5.562 -3.838 4.282 661 HD21 LEU 39 3HD2 LEU 39 -8.342 -6.298 3.751 662 HD22 LEU 39 1HD2 LEU 39 -9.066 -4.896 4.542 663 HD23 LEU 39 2HD2 LEU 39 -8.761 -6.368 5.464 664 H THR 40 H THR 40 -3.501 -7.830 5.220 665 HA THR 40 HA THR 40 -1.618 -5.857 4.630 666 HB THR 40 HB THR 40 -1.003 -8.691 5.435 667 HG1 THR 40 1HG THR 40 -1.746 -8.241 7.393 668 HG21 THR 40 3HG2 THR 40 0.951 -7.331 4.871 669 HG22 THR 40 1HG2 THR 40 0.900 -7.669 6.601 670 HG23 THR 40 2HG2 THR 40 0.414 -6.084 5.998 671 H GLN 41 H GLN 41 -1.992 -9.137 3.310 672 HA GLN 41 HA GLN 41 0.143 -9.177 1.560 673 HB2 GLN 41 2HB GLN 41 -1.451 -11.057 2.101 674 HB3 GLN 41 1HB GLN 41 -2.591 -10.324 0.983 675 HG2 GLN 41 2HG GLN 41 -0.836 -10.537 -0.798 676 HG3 GLN 41 1HG GLN 41 0.108 -11.489 0.351 677 HE21 GLN 41 1HE2 GLN 41 -2.678 -11.411 -1.700 678 HE22 GLN 41 2HE2 GLN 41 -3.065 -13.089 -1.581 679 H ALA 42 H ALA 42 -3.073 -7.812 1.154 680 HA ALA 42 HA ALA 42 -2.837 -7.136 -1.588 681 HB1 ALA 42 1HB ALA 42 -4.562 -5.898 0.536 682 HB2 ALA 42 2HB ALA 42 -4.978 -7.314 -0.432 683 HB3 ALA 42 3HB ALA 42 -4.779 -5.739 -1.205 684 H ILE 43 H ILE 43 -2.357 -5.233 1.398 685 HA ILE 43 HA ILE 43 -1.623 -2.819 0.191 686 HB ILE 43 HB ILE 43 -1.137 -4.048 2.849 687 HG12 ILE 43 2HG1 ILE 43 -1.924 -1.789 3.589 688 HG13 ILE 43 1HG1 ILE 43 -2.073 -1.339 1.898 689 HG21 ILE 43 1HG2 ILE 43 0.501 -1.695 1.925 690 HG22 ILE 43 2HG2 ILE 43 1.108 -3.330 2.233 691 HG23 ILE 43 3HG2 ILE 43 0.446 -2.366 3.560 692 HD11 ILE 43 3HD1 ILE 43 -3.613 -3.462 3.355 693 HD12 ILE 43 1HD1 ILE 43 -3.684 -3.202 1.611 694 HD13 ILE 43 2HD1 ILE 43 -4.222 -1.934 2.713 695 H GLU 44 H GLU 44 0.366 -5.581 1.113 696 HA GLU 44 HA GLU 44 2.848 -4.457 0.426 697 HB2 GLU 44 2HB GLU 44 2.007 -7.360 0.453 698 HB3 GLU 44 1HB GLU 44 3.667 -6.789 0.403 699 HG2 GLU 44 2HG GLU 44 3.392 -5.754 2.578 700 HG3 GLU 44 1HG GLU 44 1.714 -6.280 2.630 701 H GLU 45 H GLU 45 0.658 -6.518 -1.466 702 HA GLU 45 HA GLU 45 2.256 -6.471 -3.806 703 HB2 GLU 45 2HB GLU 45 -0.712 -6.952 -3.492 704 HB3 GLU 45 1HB GLU 45 0.209 -7.263 -4.957 705 HG2 GLU 45 2HG GLU 45 0.577 -8.620 -2.294 706 HG3 GLU 45 1HG GLU 45 -0.167 -9.312 -3.733 707 H ALA 46 H ALA 46 -0.180 -4.356 -2.465 708 HA ALA 46 HA ALA 46 -0.633 -2.758 -4.742 709 HB1 ALA 46 1HB ALA 46 -0.758 -1.939 -1.834 710 HB2 ALA 46 2HB ALA 46 -2.055 -2.739 -2.720 711 HB3 ALA 46 3HB ALA 46 -1.534 -1.120 -3.196 712 H ILE 47 H ILE 47 1.437 -2.214 -1.914 713 HA ILE 47 HA ILE 47 2.636 0.097 -2.906 714 HB ILE 47 HB ILE 47 2.502 -0.441 -0.539 715 HG12 ILE 47 2HG1 ILE 47 5.376 -0.273 -1.423 716 HG13 ILE 47 1HG1 ILE 47 4.265 1.094 -1.361 717 HG21 ILE 47 1HG2 ILE 47 4.023 -2.091 0.465 718 HG22 ILE 47 2HG2 ILE 47 4.452 -2.635 -1.157 719 HG23 ILE 47 3HG2 ILE 47 2.795 -2.818 -0.575 720 HD11 ILE 47 3HD1 ILE 47 5.262 -0.554 0.946 721 HD12 ILE 47 1HD1 ILE 47 3.975 0.650 1.068 722 HD13 ILE 47 2HD1 ILE 47 5.599 1.146 0.597 723 H LYS 48 H LYS 48 3.385 -3.286 -3.275 724 HA LYS 48 HA LYS 48 6.021 -3.006 -4.241 725 HB2 LYS 48 2HB LYS 48 5.249 -5.169 -3.507 726 HB3 LYS 48 1HB LYS 48 3.922 -5.132 -4.654 727 HG2 LYS 48 2HG LYS 48 5.645 -6.660 -5.397 728 HG3 LYS 48 1HG LYS 48 5.491 -5.306 -6.512 729 HD2 LYS 48 2HD LYS 48 7.824 -5.823 -6.171 730 HD3 LYS 48 1HD LYS 48 7.466 -4.255 -5.454 731 HE2 LYS 48 2HE LYS 48 8.882 -5.524 -3.967 732 HE3 LYS 48 1HE LYS 48 7.281 -5.348 -3.249 733 HZ1 LYS 48 3HZ LYS 48 8.245 -7.758 -4.693 734 HZ2 LYS 48 1HZ LYS 48 6.737 -7.583 -3.943 735 HZ3 LYS 48 2HZ LYS 48 8.149 -7.604 -3.010 736 H GLU 49 H GLU 49 2.967 -3.543 -6.011 737 HA GLU 49 HA GLU 49 4.221 -3.147 -8.531 738 HB2 GLU 49 2HB GLU 49 1.379 -3.452 -7.607 739 HB3 GLU 49 1HB GLU 49 1.669 -2.831 -9.225 740 HG2 GLU 49 2HG GLU 49 2.575 -4.840 -9.987 741 HG3 GLU 49 1HG GLU 49 2.974 -5.388 -8.357 742 H TYR 50 H TYR 50 3.290 -1.016 -6.151 743 HA TYR 50 HA TYR 50 2.662 1.203 -7.807 744 HB2 TYR 50 2HB TYR 50 1.783 1.179 -5.603 745 HB3 TYR 50 1HB TYR 50 3.375 0.913 -4.904 746 HD1 TYR 50 2HD TYR 50 1.466 3.402 -6.904 747 HD2 TYR 50 1HD TYR 50 4.543 2.690 -4.065 748 HE1 TYR 50 2HE TYR 50 1.693 5.822 -6.563 749 HE2 TYR 50 1HE TYR 50 4.790 5.119 -3.701 750 HH TYR 50 HH TYR 50 4.299 7.240 -5.049 751 H LEU 51 H LEU 51 5.498 0.147 -5.966 752 HA LEU 51 HA LEU 51 7.219 2.220 -6.746 753 HB2 LEU 51 2HB LEU 51 7.586 -0.515 -5.676 754 HB3 LEU 51 1HB LEU 51 8.971 0.246 -6.423 755 HG LEU 51 HG LEU 51 9.398 1.125 -4.426 756 HD11 LEU 51 1HD1 LEU 51 8.153 3.115 -3.747 757 HD12 LEU 51 2HD1 LEU 51 6.895 2.722 -4.919 758 HD13 LEU 51 3HD1 LEU 51 8.524 3.116 -5.471 759 HD21 LEU 51 3HD2 LEU 51 8.056 -0.512 -3.314 760 HD22 LEU 51 1HD2 LEU 51 6.581 0.396 -3.660 761 HD23 LEU 51 2HD2 LEU 51 7.784 1.054 -2.547 762 H GLN 52 H GLN 52 6.422 -0.834 -8.272 763 HA GLN 52 HA GLN 52 8.442 -0.578 -10.284 764 HB2 GLN 52 2HB GLN 52 6.257 -2.475 -9.660 765 HB3 GLN 52 1HB GLN 52 6.724 -2.382 -11.349 766 HG2 GLN 52 2HG GLN 52 7.925 -4.164 -10.319 767 HG3 GLN 52 1HG GLN 52 9.055 -2.873 -10.699 768 HE21 GLN 52 1HE2 GLN 52 9.137 -5.110 -8.762 769 HE22 GLN 52 2HE2 GLN 52 9.494 -4.377 -7.235 770 H LYS 53 H LYS 53 5.127 0.363 -9.957 771 HA LYS 53 HA LYS 53 4.713 1.086 -12.696 772 HB2 LYS 53 2HB LYS 53 2.890 0.519 -11.110 773 HB3 LYS 53 1HB LYS 53 3.262 1.976 -10.211 774 HG2 LYS 53 2HG LYS 53 2.622 3.344 -12.101 775 HG3 LYS 53 1HG LYS 53 2.305 1.891 -13.058 776 HD2 LYS 53 2HD LYS 53 0.570 1.213 -11.493 777 HD3 LYS 53 1HD LYS 53 0.912 2.616 -10.479 778 HE2 LYS 53 2HE LYS 53 -0.019 2.780 -13.340 779 HE3 LYS 53 1HE LYS 53 -1.093 2.860 -11.944 780 HZ1 LYS 53 3HZ LYS 53 -0.581 5.064 -12.672 781 HZ2 LYS 53 1HZ LYS 53 1.087 4.764 -12.619 782 HZ3 LYS 53 2HZ LYS 53 0.183 4.810 -11.182 783 H ARG 54 H ARG 54 6.357 2.450 -10.076 784 HA ARG 54 HA ARG 54 6.043 5.171 -11.112 785 HB2 ARG 54 2HB ARG 54 5.533 4.290 -8.638 786 HB3 ARG 54 1HB ARG 54 7.243 4.637 -8.450 787 HG2 ARG 54 2HG ARG 54 6.427 6.678 -7.852 788 HG3 ARG 54 1HG ARG 54 6.455 6.926 -9.604 789 HD2 ARG 54 2HD ARG 54 4.164 6.591 -9.819 790 HD3 ARG 54 1HD ARG 54 4.043 5.763 -8.271 791 HE ARG 54 HE ARG 54 4.859 8.443 -7.864 792 HH11 ARG 54 1HH1 ARG 54 2.073 6.560 -8.796 793 HH12 ARG 54 2HH1 ARG 54 0.920 7.651 -8.101 794 HH21 ARG 54 1HH2 ARG 54 3.344 9.924 -6.948 795 HH22 ARG 54 2HH2 ARG 54 1.638 9.584 -7.069 796 H ASN 55 H ASN 55 8.529 3.478 -9.212 797 HA ASN 55 HA ASN 55 10.607 3.504 -11.000 798 HB2 ASN 55 2HB ASN 55 11.974 5.440 -9.952 799 HB3 ASN 55 1HB ASN 55 10.802 5.811 -11.205 800 HD21 ASN 55 1HD2 ASN 55 10.741 7.949 -10.498 801 HD22 ASN 55 2HD2 ASN 55 9.867 8.408 -9.077 802 H GLY 56 H GLY 56 10.287 4.569 -7.587 803 HA2 GLY 56 2HA GLY 56 10.688 3.053 -5.768 804 HA3 GLY 56 1HA GLY 56 11.764 2.145 -6.815 Start of MODEL 4 1 H LYS 11 H LYS 11 -12.581 13.561 2.415 2 HA LYS 11 HA LYS 11 -10.652 12.250 3.135 3 HB2 LYS 11 2HB LYS 11 -10.648 14.756 2.868 4 HB3 LYS 11 1HB LYS 11 -10.925 14.886 4.598 5 HG2 LYS 11 2HG LYS 11 -8.574 15.215 4.001 6 HG3 LYS 11 1HG LYS 11 -8.803 13.816 5.052 7 HD2 LYS 11 2HD LYS 11 -8.668 12.332 3.116 8 HD3 LYS 11 1HD LYS 11 -8.464 13.727 2.055 9 HE2 LYS 11 2HE LYS 11 -6.368 14.281 3.100 10 HE3 LYS 11 1HE LYS 11 -6.592 13.019 4.311 11 HZ1 LYS 11 2HZ LYS 11 -5.071 12.309 2.588 12 HZ2 LYS 11 3HZ LYS 11 -6.240 12.581 1.391 13 HZ3 LYS 11 1HZ LYS 11 -6.475 11.361 2.552 14 H GLN 12 H GLN 12 -12.296 10.756 4.539 15 HA GLN 12 HA GLN 12 -11.869 11.131 7.386 16 HB2 GLN 12 2HB GLN 12 -13.175 9.040 7.613 17 HB3 GLN 12 1HB GLN 12 -14.024 10.263 6.677 18 HG2 GLN 12 2HG GLN 12 -13.315 9.120 4.607 19 HG3 GLN 12 1HG GLN 12 -12.555 7.871 5.589 20 HE21 GLN 12 1HE2 GLN 12 -14.703 7.948 7.592 21 HE22 GLN 12 2HE2 GLN 12 -16.044 7.127 6.861 22 H LYS 13 H LYS 13 -10.407 10.044 8.615 23 HA LYS 13 HA LYS 13 -8.490 8.439 7.076 24 HB2 LYS 13 2HB LYS 13 -6.776 9.120 8.710 25 HB3 LYS 13 1HB LYS 13 -7.463 10.480 7.839 26 HG2 LYS 13 2HG LYS 13 -8.889 10.964 9.777 27 HG3 LYS 13 1HG LYS 13 -8.115 9.634 10.649 28 HD2 LYS 13 2HD LYS 13 -5.933 10.736 10.377 29 HD3 LYS 13 1HD LYS 13 -6.713 12.065 9.524 30 HE2 LYS 13 2HE LYS 13 -8.003 12.587 11.570 31 HE3 LYS 13 1HE LYS 13 -7.162 11.282 12.410 32 HZ1 LYS 13 3HZ LYS 13 -6.101 13.334 12.921 33 HZ2 LYS 13 1HZ LYS 13 -5.952 13.744 11.281 34 HZ3 LYS 13 2HZ LYS 13 -5.061 12.450 11.915 35 H ALA 14 H ALA 14 -7.407 6.721 8.076 36 HA ALA 14 HA ALA 14 -8.666 5.584 10.465 37 HB1 ALA 14 1HB ALA 14 -9.812 4.565 8.583 38 HB2 ALA 14 2HB ALA 14 -8.768 3.386 9.377 39 HB3 ALA 14 3HB ALA 14 -8.265 4.125 7.855 40 H VAL 15 H VAL 15 -7.319 3.645 11.208 41 HA VAL 15 HA VAL 15 -4.479 4.288 10.759 42 HB VAL 15 HB VAL 15 -5.377 2.611 13.049 43 HG11 VAL 15 1HG1 VAL 15 -2.999 2.839 12.625 44 HG12 VAL 15 2HG1 VAL 15 -3.438 3.598 14.156 45 HG13 VAL 15 3HG1 VAL 15 -3.141 4.594 12.731 46 HG21 VAL 15 3HG2 VAL 15 -5.648 4.610 14.461 47 HG22 VAL 15 1HG2 VAL 15 -6.873 4.501 13.196 48 HG23 VAL 15 2HG2 VAL 15 -5.515 5.618 13.015 49 H PHE 16 H PHE 16 -3.012 2.428 10.842 50 HA PHE 16 HA PHE 16 -4.179 -0.156 10.212 51 HB2 PHE 16 2HB PHE 16 -3.833 1.399 8.097 52 HB3 PHE 16 1HB PHE 16 -2.160 0.888 8.274 53 HD1 PHE 16 2HD PHE 16 -5.274 -1.042 8.859 54 HD2 PHE 16 1HD PHE 16 -1.793 -0.527 6.471 55 HE1 PHE 16 2HE PHE 16 -5.814 -3.107 7.640 56 HE2 PHE 16 1HE PHE 16 -2.331 -2.587 5.238 57 HZ PHE 16 HZ PHE 16 -4.339 -3.881 5.829 58 H GLY 17 H GLY 17 -3.027 -1.647 11.224 59 HA2 GLY 17 2HA GLY 17 -0.155 -1.144 11.688 60 HA3 GLY 17 1HA GLY 17 -1.197 -1.764 12.965 61 H ILE 18 H ILE 18 0.573 -2.514 10.097 62 HA ILE 18 HA ILE 18 -0.283 -5.323 10.316 63 HB ILE 18 HB ILE 18 0.057 -5.533 7.886 64 HG12 ILE 18 2HG1 ILE 18 0.187 -2.509 7.868 65 HG13 ILE 18 1HG1 ILE 18 1.606 -3.547 7.699 66 HG21 ILE 18 1HG2 ILE 18 -2.004 -4.346 7.246 67 HG22 ILE 18 2HG2 ILE 18 -1.937 -3.464 8.773 68 HG23 ILE 18 3HG2 ILE 18 -2.161 -5.214 8.774 69 HD11 ILE 18 3HD1 ILE 18 -0.761 -3.455 5.843 70 HD12 ILE 18 1HD1 ILE 18 0.655 -4.487 5.660 71 HD13 ILE 18 2HD1 ILE 18 0.820 -2.736 5.549 72 H TYR 19 H TYR 19 1.275 -6.873 9.390 73 HA TYR 19 HA TYR 19 4.049 -5.975 9.783 74 HB2 TYR 19 2HB TYR 19 2.878 -8.760 9.966 75 HB3 TYR 19 1HB TYR 19 4.586 -8.373 10.138 76 HD1 TYR 19 1HD TYR 19 5.116 -6.557 12.005 77 HD2 TYR 19 2HD TYR 19 1.597 -8.955 11.864 78 HE1 TYR 19 1HE TYR 19 4.794 -6.231 14.417 79 HE2 TYR 19 2HE TYR 19 1.266 -8.618 14.277 80 HH TYR 19 HH TYR 19 3.088 -6.302 16.072 81 H MET 20 H MET 20 4.528 -5.264 7.784 82 HA MET 20 HA MET 20 4.108 -7.075 5.497 83 HB2 MET 20 2HB MET 20 4.372 -5.097 4.068 84 HB3 MET 20 1HB MET 20 3.092 -4.843 5.246 85 HG2 MET 20 2HG MET 20 4.789 -3.615 6.646 86 HG3 MET 20 1HG MET 20 5.866 -3.685 5.249 87 HE1 MET 20 3HE MET 20 4.031 -3.311 2.786 88 HE2 MET 20 1HE MET 20 5.469 -2.309 2.981 89 HE3 MET 20 2HE MET 20 3.916 -1.565 2.589 90 H ASP 21 H ASP 21 5.883 -7.261 3.915 91 HA ASP 21 HA ASP 21 8.287 -7.920 5.119 92 HB2 ASP 21 2HB ASP 21 7.534 -7.469 2.253 93 HB3 ASP 21 1HB ASP 21 9.224 -7.636 2.704 94 H LYS 22 H LYS 22 10.379 -7.014 4.962 95 HA LYS 22 HA LYS 22 10.253 -4.215 5.621 96 HB2 LYS 22 2HB LYS 22 11.623 -5.643 7.012 97 HB3 LYS 22 1HB LYS 22 12.534 -6.194 5.608 98 HG2 LYS 22 2HG LYS 22 13.530 -4.056 5.313 99 HG3 LYS 22 1HG LYS 22 12.475 -3.335 6.530 100 HD2 LYS 22 2HD LYS 22 14.411 -5.547 7.182 101 HD3 LYS 22 1HD LYS 22 14.866 -3.846 7.241 102 HE2 LYS 22 2HE LYS 22 14.277 -4.366 9.444 103 HE3 LYS 22 1HE LYS 22 12.864 -3.540 8.795 104 HZ1 LYS 22 3HZ LYS 22 12.213 -5.475 10.057 105 HZ2 LYS 22 1HZ LYS 22 13.188 -6.480 9.100 106 HZ3 LYS 22 2HZ LYS 22 11.840 -5.715 8.427 107 H ASP 23 H ASP 23 12.228 -6.153 3.420 108 HA ASP 23 HA ASP 23 13.536 -4.155 2.092 109 HB2 ASP 23 2HB ASP 23 14.160 -6.411 1.685 110 HB3 ASP 23 1HB ASP 23 12.549 -6.830 1.121 111 H LEU 24 H LEU 24 10.263 -5.305 1.516 112 HA LEU 24 HA LEU 24 9.826 -3.795 -0.850 113 HB2 LEU 24 2HB LEU 24 8.399 -5.581 -0.673 114 HB3 LEU 24 1HB LEU 24 8.194 -5.376 1.055 115 HG LEU 24 HG LEU 24 7.054 -3.100 -0.024 116 HD11 LEU 24 1HD1 LEU 24 5.391 -4.093 -1.604 117 HD12 LEU 24 2HD1 LEU 24 6.437 -5.507 -1.707 118 HD13 LEU 24 3HD1 LEU 24 7.025 -3.930 -2.240 119 HD21 LEU 24 3HD2 LEU 24 5.020 -4.037 0.851 120 HD22 LEU 24 1HD2 LEU 24 6.371 -4.439 1.916 121 HD23 LEU 24 2HD2 LEU 24 5.713 -5.659 0.817 122 H LYS 25 H LYS 25 8.543 -3.418 2.462 123 HA LYS 25 HA LYS 25 7.355 -0.911 2.114 124 HB2 LYS 25 2HB LYS 25 7.096 -2.472 4.075 125 HB3 LYS 25 1HB LYS 25 8.679 -1.948 4.634 126 HG2 LYS 25 2HG LYS 25 7.759 0.396 4.646 127 HG3 LYS 25 1HG LYS 25 6.172 -0.330 4.389 128 HD2 LYS 25 2HD LYS 25 6.195 -0.197 6.676 129 HD3 LYS 25 1HD LYS 25 6.878 -1.809 6.443 130 HE2 LYS 25 2HE LYS 25 8.464 0.725 6.866 131 HE3 LYS 25 1HE LYS 25 8.123 -0.479 8.106 132 HZ1 LYS 25 3HZ LYS 25 10.303 -0.869 7.275 133 HZ2 LYS 25 1HZ LYS 25 9.774 -0.826 5.666 134 HZ3 LYS 25 2HZ LYS 25 9.317 -2.103 6.669 135 H THR 26 H THR 26 10.630 -1.883 2.774 136 HA THR 26 HA THR 26 11.571 0.724 3.488 137 HB THR 26 HB THR 26 13.000 -1.880 2.949 138 HG1 THR 26 1HG THR 26 12.388 -0.377 5.303 139 HG21 THR 26 3HG2 THR 26 14.499 0.000 2.379 140 HG22 THR 26 1HG2 THR 26 15.024 -0.827 3.848 141 HG23 THR 26 2HG2 THR 26 14.188 0.723 3.959 142 H ARG 27 H ARG 27 11.468 -1.232 0.594 143 HA ARG 27 HA ARG 27 13.046 0.344 -1.098 144 HB2 ARG 27 2HB ARG 27 12.271 -1.729 -1.947 145 HB3 ARG 27 1HB ARG 27 10.607 -1.372 -1.534 146 HG2 ARG 27 2HG ARG 27 10.876 -1.278 -3.909 147 HG3 ARG 27 1HG ARG 27 10.556 0.340 -3.278 148 HD2 ARG 27 2HD ARG 27 12.298 0.410 -4.978 149 HD3 ARG 27 1HD ARG 27 12.953 0.853 -3.402 150 HE ARG 27 HE ARG 27 13.337 -1.909 -3.806 151 HH11 ARG 27 1HH1 ARG 27 14.459 1.147 -5.095 152 HH12 ARG 27 2HH1 ARG 27 16.043 0.553 -5.483 153 HH21 ARG 27 1HH2 ARG 27 15.434 -2.697 -4.295 154 HH22 ARG 27 2HH2 ARG 27 16.590 -1.640 -5.052 155 H LEU 28 H LEU 28 9.546 0.429 -0.588 156 HA LEU 28 HA LEU 28 8.969 2.835 -1.806 157 HB2 LEU 28 2HB LEU 28 7.423 1.066 -0.967 158 HB3 LEU 28 1HB LEU 28 7.664 1.682 0.654 159 HG LEU 28 HG LEU 28 5.551 2.360 -0.584 160 HD11 LEU 28 1HD1 LEU 28 7.304 4.563 0.464 161 HD12 LEU 28 2HD1 LEU 28 6.446 3.397 1.471 162 HD13 LEU 28 3HD1 LEU 28 5.540 4.516 0.448 163 HD21 LEU 28 3HD2 LEU 28 7.491 4.217 -1.940 164 HD22 LEU 28 1HD2 LEU 28 5.737 4.175 -2.149 165 HD23 LEU 28 2HD2 LEU 28 6.732 2.820 -2.700 166 H LYS 29 H LYS 29 10.135 2.204 1.480 167 HA LYS 29 HA LYS 29 9.896 4.769 2.542 168 HB2 LYS 29 2HB LYS 29 10.510 2.833 3.892 169 HB3 LYS 29 1HB LYS 29 12.040 2.700 3.037 170 HG2 LYS 29 2HG LYS 29 11.376 5.195 4.536 171 HG3 LYS 29 1HG LYS 29 11.965 3.769 5.391 172 HD2 LYS 29 2HD LYS 29 13.952 3.738 3.957 173 HD3 LYS 29 1HD LYS 29 13.364 5.173 3.114 174 HE2 LYS 29 2HE LYS 29 15.031 5.770 4.778 175 HE3 LYS 29 1HE LYS 29 13.455 6.435 5.204 176 HZ1 LYS 29 3HZ LYS 29 13.146 4.667 6.791 177 HZ2 LYS 29 1HZ LYS 29 14.614 5.454 7.106 178 HZ3 LYS 29 2HZ LYS 29 14.609 3.947 6.334 179 H VAL 30 H VAL 30 12.466 3.358 0.591 180 HA VAL 30 HA VAL 30 14.121 5.638 0.527 181 HB VAL 30 HB VAL 30 13.874 3.401 -1.464 182 HG11 VAL 30 1HG1 VAL 30 16.101 5.390 -1.044 183 HG12 VAL 30 2HG1 VAL 30 15.024 5.300 -2.439 184 HG13 VAL 30 3HG1 VAL 30 16.165 3.993 -2.122 185 HG21 VAL 30 3HG2 VAL 30 14.341 2.706 0.849 186 HG22 VAL 30 1HG2 VAL 30 15.771 3.738 0.849 187 HG23 VAL 30 2HG2 VAL 30 15.683 2.359 -0.250 188 H TYR 31 H TYR 31 11.426 4.590 -1.372 189 HA TYR 31 HA TYR 31 11.566 6.517 -3.421 190 HB2 TYR 31 2HB TYR 31 10.171 4.499 -3.559 191 HB3 TYR 31 1HB TYR 31 9.181 5.086 -2.225 192 HD1 TYR 31 2HD TYR 31 10.162 5.766 -5.725 193 HD2 TYR 31 1HD TYR 31 7.397 6.559 -2.597 194 HE1 TYR 31 2HE TYR 31 8.713 6.934 -7.307 195 HE2 TYR 31 1HE TYR 31 5.933 7.725 -4.174 196 HH TYR 31 HH TYR 31 6.154 8.916 -6.371 197 H CYS 32 H CYS 32 10.137 6.464 -0.206 198 HA CYS 32 HA CYS 32 8.923 9.051 -0.409 199 HB2 CYS 32 2HB CYS 32 9.599 7.411 2.034 200 HB3 CYS 32 1HB CYS 32 8.567 8.834 2.014 201 HG CYS 32 HG CYS 32 7.919 5.820 0.548 202 H ALA 33 H ALA 33 12.063 7.887 0.418 203 HA ALA 33 HA ALA 33 12.905 10.318 1.707 204 HB1 ALA 33 1HB ALA 33 14.524 7.986 0.691 205 HB2 ALA 33 2HB ALA 33 13.871 8.155 2.321 206 HB3 ALA 33 3HB ALA 33 15.109 9.273 1.745 207 H LYS 34 H LYS 34 13.047 8.873 -1.458 208 HA LYS 34 HA LYS 34 14.854 10.741 -2.595 209 HB2 LYS 34 2HB LYS 34 14.565 8.447 -3.442 210 HB3 LYS 34 1HB LYS 34 12.910 8.828 -3.892 211 HG2 LYS 34 2HG LYS 34 13.794 10.532 -5.465 212 HG3 LYS 34 1HG LYS 34 15.422 9.970 -5.075 213 HD2 LYS 34 2HD LYS 34 14.801 7.707 -5.822 214 HD3 LYS 34 1HD LYS 34 13.198 8.300 -6.253 215 HE2 LYS 34 2HE LYS 34 14.539 8.179 -8.237 216 HE3 LYS 34 1HE LYS 34 14.267 9.876 -7.842 217 HZ1 LYS 34 3HZ LYS 34 16.463 10.033 -6.940 218 HZ2 LYS 34 1HZ LYS 34 16.574 9.361 -8.494 219 HZ3 LYS 34 2HZ LYS 34 16.724 8.366 -7.130 220 H ASN 35 H ASN 35 11.340 10.376 -2.637 221 HA ASN 35 HA ASN 35 11.101 12.859 -4.161 222 HB2 ASN 35 2HB ASN 35 9.053 10.826 -3.268 223 HB3 ASN 35 1HB ASN 35 8.641 12.314 -4.108 224 HD21 ASN 35 1HD2 ASN 35 10.113 9.180 -4.379 225 HD22 ASN 35 2HD2 ASN 35 10.195 9.150 -6.115 226 H ASN 36 H ASN 36 11.641 12.143 -1.093 227 HA ASN 36 HA ASN 36 11.151 12.971 0.968 228 HB2 ASN 36 2HB ASN 36 10.495 15.356 -0.745 229 HB3 ASN 36 1HB ASN 36 10.529 15.424 1.015 230 HD21 ASN 36 1HD2 ASN 36 12.154 16.804 -0.984 231 HD22 ASN 36 2HD2 ASN 36 13.797 16.404 -0.614 232 H LEU 37 H LEU 37 9.012 11.637 -0.622 233 HA LEU 37 HA LEU 37 6.503 12.787 0.101 234 HB2 LEU 37 2HB LEU 37 7.480 10.416 -1.286 235 HB3 LEU 37 1HB LEU 37 6.079 10.081 -0.288 236 HG LEU 37 HG LEU 37 4.755 11.692 -1.483 237 HD11 LEU 37 1HD1 LEU 37 7.247 12.321 -3.057 238 HD12 LEU 37 2HD1 LEU 37 6.462 13.382 -1.887 239 HD13 LEU 37 3HD1 LEU 37 5.630 12.950 -3.381 240 HD21 LEU 37 3HD2 LEU 37 4.896 9.475 -2.440 241 HD22 LEU 37 1HD2 LEU 37 6.334 9.930 -3.350 242 HD23 LEU 37 2HD2 LEU 37 4.782 10.679 -3.724 243 H GLN 38 H GLN 38 4.930 11.681 1.475 244 HA GLN 38 HA GLN 38 6.117 10.878 3.989 245 HB2 GLN 38 2HB GLN 38 3.219 11.144 3.177 246 HB3 GLN 38 1HB GLN 38 3.785 10.802 4.804 247 HG2 GLN 38 2HG GLN 38 4.879 12.959 4.901 248 HG3 GLN 38 1HG GLN 38 4.385 13.293 3.243 249 HE21 GLN 38 1HE2 GLN 38 2.196 13.714 2.805 250 HE22 GLN 38 2HE2 GLN 38 1.088 14.153 4.058 251 H LEU 39 H LEU 39 6.242 8.807 4.707 252 HA LEU 39 HA LEU 39 6.087 6.593 3.116 253 HB2 LEU 39 2HB LEU 39 6.399 7.078 5.872 254 HB3 LEU 39 1HB LEU 39 5.177 5.831 5.725 255 HG LEU 39 HG LEU 39 7.222 4.692 5.965 256 HD11 LEU 39 1HD1 LEU 39 6.604 4.783 3.017 257 HD12 LEU 39 2HD1 LEU 39 5.819 3.753 4.216 258 HD13 LEU 39 3HD1 LEU 39 7.528 3.525 3.842 259 HD21 LEU 39 3HD2 LEU 39 9.202 5.143 4.607 260 HD22 LEU 39 1HD2 LEU 39 8.725 6.555 5.553 261 HD23 LEU 39 2HD2 LEU 39 8.359 6.484 3.828 262 H THR 40 H THR 40 3.497 7.700 5.274 263 HA THR 40 HA THR 40 1.601 5.795 4.597 264 HB THR 40 HB THR 40 0.958 8.643 5.312 265 HG1 THR 40 1HG THR 40 1.135 7.765 7.541 266 HG21 THR 40 3HG2 THR 40 -0.399 6.036 5.990 267 HG22 THR 40 1HG2 THR 40 -0.952 7.204 4.790 268 HG23 THR 40 2HG2 THR 40 -0.930 7.638 6.500 269 H GLN 41 H GLN 41 2.081 9.032 3.280 270 HA GLN 41 HA GLN 41 -0.016 9.163 1.489 271 HB2 GLN 41 2HB GLN 41 1.675 10.953 2.165 272 HB3 GLN 41 1HB GLN 41 2.744 10.257 0.958 273 HG2 GLN 41 2HG GLN 41 1.015 10.700 -0.757 274 HG3 GLN 41 1HG GLN 41 0.054 11.513 0.481 275 HE21 GLN 41 1HE2 GLN 41 2.819 11.685 -1.572 276 HE22 GLN 41 2HE2 GLN 41 3.228 13.338 -1.237 277 H ALA 42 H ALA 42 3.174 7.711 1.129 278 HA ALA 42 HA ALA 42 2.908 7.086 -1.648 279 HB1 ALA 42 1HB ALA 42 4.720 5.879 0.424 280 HB2 ALA 42 2HB ALA 42 5.075 7.312 -0.544 281 HB3 ALA 42 3HB ALA 42 4.890 5.740 -1.325 282 H ILE 43 H ILE 43 2.465 5.220 1.363 283 HA ILE 43 HA ILE 43 1.735 2.784 0.191 284 HB ILE 43 HB ILE 43 1.243 4.060 2.826 285 HG12 ILE 43 2HG1 ILE 43 2.033 1.817 3.610 286 HG13 ILE 43 1HG1 ILE 43 2.184 1.333 1.927 287 HG21 ILE 43 1HG2 ILE 43 -0.400 1.703 1.919 288 HG22 ILE 43 2HG2 ILE 43 -1.001 3.339 2.225 289 HG23 ILE 43 3HG2 ILE 43 -0.344 2.372 3.554 290 HD11 ILE 43 3HD1 ILE 43 3.805 3.173 1.600 291 HD12 ILE 43 1HD1 ILE 43 4.331 1.951 2.761 292 HD13 ILE 43 2HD1 ILE 43 3.712 3.501 3.333 293 H GLU 44 H GLU 44 -0.229 5.578 1.046 294 HA GLU 44 HA GLU 44 -2.715 4.481 0.334 295 HB2 GLU 44 2HB GLU 44 -1.821 7.366 0.398 296 HB3 GLU 44 1HB GLU 44 -3.493 6.839 0.271 297 HG2 GLU 44 2HG GLU 44 -3.296 5.738 2.443 298 HG3 GLU 44 1HG GLU 44 -1.637 6.301 2.573 299 H GLU 45 H GLU 45 -0.457 6.508 -1.523 300 HA GLU 45 HA GLU 45 -1.977 6.483 -3.905 301 HB2 GLU 45 2HB GLU 45 0.997 6.801 -3.472 302 HB3 GLU 45 1HB GLU 45 0.191 7.059 -5.015 303 HG2 GLU 45 2HG GLU 45 -0.374 8.591 -2.484 304 HG3 GLU 45 1HG GLU 45 0.643 9.148 -3.810 305 H ALA 46 H ALA 46 0.389 4.296 -2.515 306 HA ALA 46 HA ALA 46 0.779 2.639 -4.752 307 HB1 ALA 46 1HB ALA 46 2.205 2.612 -2.737 308 HB2 ALA 46 2HB ALA 46 1.634 1.002 -3.179 309 HB3 ALA 46 3HB ALA 46 0.886 1.870 -1.830 310 H ILE 47 H ILE 47 -1.350 2.263 -1.942 311 HA ILE 47 HA ILE 47 -2.543 -0.093 -2.903 312 HB ILE 47 HB ILE 47 -2.316 0.591 -0.504 313 HG12 ILE 47 2HG1 ILE 47 -5.037 -0.235 -1.526 314 HG13 ILE 47 1HG1 ILE 47 -3.700 -1.284 -1.082 315 HG21 ILE 47 1HG2 ILE 47 -4.145 1.983 0.443 316 HG22 ILE 47 2HG2 ILE 47 -4.569 2.445 -1.208 317 HG23 ILE 47 3HG2 ILE 47 -2.983 2.870 -0.552 318 HD11 ILE 47 3HD1 ILE 47 -5.354 -1.293 0.651 319 HD12 ILE 47 1HD1 ILE 47 -5.269 0.466 0.789 320 HD13 ILE 47 2HD1 ILE 47 -3.879 -0.523 1.238 321 H LYS 48 H LYS 48 -3.190 3.275 -3.343 322 HA LYS 48 HA LYS 48 -5.907 3.040 -4.180 323 HB2 LYS 48 2HB LYS 48 -4.987 5.172 -3.422 324 HB3 LYS 48 1HB LYS 48 -3.825 5.158 -4.736 325 HG2 LYS 48 2HG LYS 48 -5.418 6.621 -5.519 326 HG3 LYS 48 1HG LYS 48 -5.915 5.106 -6.265 327 HD2 LYS 48 2HD LYS 48 -7.079 6.110 -3.673 328 HD3 LYS 48 1HD LYS 48 -7.746 6.538 -5.247 329 HE2 LYS 48 2HE LYS 48 -7.926 4.030 -5.675 330 HE3 LYS 48 1HE LYS 48 -7.609 3.823 -3.952 331 HZ1 LYS 48 3HZ LYS 48 -9.856 5.371 -5.126 332 HZ2 LYS 48 1HZ LYS 48 -9.554 5.197 -3.472 333 HZ3 LYS 48 2HZ LYS 48 -9.985 3.851 -4.403 334 H GLU 49 H GLU 49 -2.848 3.530 -5.930 335 HA GLU 49 HA GLU 49 -4.030 3.179 -8.497 336 HB2 GLU 49 2HB GLU 49 -1.208 3.360 -7.472 337 HB3 GLU 49 1HB GLU 49 -1.485 2.821 -9.121 338 HG2 GLU 49 2HG GLU 49 -2.203 4.896 -9.833 339 HG3 GLU 49 1HG GLU 49 -2.757 5.374 -8.227 340 H TYR 50 H TYR 50 -3.192 1.017 -6.084 341 HA TYR 50 HA TYR 50 -2.629 -1.220 -7.744 342 HB2 TYR 50 2HB TYR 50 -1.758 -1.194 -5.524 343 HB3 TYR 50 1HB TYR 50 -3.350 -0.898 -4.840 344 HD1 TYR 50 1HD TYR 50 -1.552 -3.447 -6.892 345 HD2 TYR 50 2HD TYR 50 -4.467 -2.633 -3.917 346 HE1 TYR 50 1HE TYR 50 -1.788 -5.857 -6.479 347 HE2 TYR 50 2HE TYR 50 -4.720 -5.038 -3.481 348 HH TYR 50 HH TYR 50 -4.348 -7.182 -4.762 349 H LEU 51 H LEU 51 -5.422 -0.100 -5.854 350 HA LEU 51 HA LEU 51 -7.219 -2.072 -6.685 351 HB2 LEU 51 2HB LEU 51 -7.482 0.640 -5.544 352 HB3 LEU 51 1HB LEU 51 -8.881 0.014 -6.388 353 HG LEU 51 HG LEU 51 -9.459 -0.868 -4.428 354 HD11 LEU 51 1HD1 LEU 51 -7.147 -2.732 -4.923 355 HD12 LEU 51 2HD1 LEU 51 -8.773 -2.887 -5.588 356 HD13 LEU 51 3HD1 LEU 51 -8.514 -3.034 -3.850 357 HD21 LEU 51 3HD2 LEU 51 -6.602 -0.506 -3.557 358 HD22 LEU 51 1HD2 LEU 51 -7.894 -1.107 -2.509 359 HD23 LEU 51 2HD2 LEU 51 -7.987 0.525 -3.179 360 H GLN 52 H GLN 52 -6.301 0.971 -8.207 361 HA GLN 52 HA GLN 52 -8.280 0.762 -10.257 362 HB2 GLN 52 2HB GLN 52 -5.939 2.540 -9.776 363 HB3 GLN 52 1HB GLN 52 -6.556 2.428 -11.417 364 HG2 GLN 52 2HG GLN 52 -7.633 4.275 -10.473 365 HG3 GLN 52 1HG GLN 52 -8.828 2.984 -10.463 366 HE21 GLN 52 1HE2 GLN 52 -6.759 5.001 -8.571 367 HE22 GLN 52 2HE2 GLN 52 -7.483 4.649 -7.040 368 H LYS 53 H LYS 53 -4.893 -0.157 -10.001 369 HA LYS 53 HA LYS 53 -4.655 -0.941 -12.739 370 HB2 LYS 53 2HB LYS 53 -2.764 -0.295 -11.176 371 HB3 LYS 53 1HB LYS 53 -2.950 -1.875 -10.437 372 HG2 LYS 53 2HG LYS 53 -2.442 -2.937 -12.576 373 HG3 LYS 53 1HG LYS 53 -2.247 -1.345 -13.315 374 HD2 LYS 53 2HD LYS 53 -0.063 -2.118 -12.779 375 HD3 LYS 53 1HD LYS 53 -0.473 -0.883 -11.586 376 HE2 LYS 53 2HE LYS 53 0.518 -2.663 -10.383 377 HE3 LYS 53 1HE LYS 53 -1.216 -2.759 -10.075 378 HZ1 LYS 53 3HZ LYS 53 0.350 -4.430 -11.966 379 HZ2 LYS 53 1HZ LYS 53 -1.339 -4.478 -11.827 380 HZ3 LYS 53 2HZ LYS 53 -0.371 -4.936 -10.513 381 H ARG 54 H ARG 54 -6.132 -2.292 -10.055 382 HA ARG 54 HA ARG 54 -5.862 -5.009 -11.090 383 HB2 ARG 54 2HB ARG 54 -5.447 -4.193 -8.592 384 HB3 ARG 54 1HB ARG 54 -7.186 -4.417 -8.489 385 HG2 ARG 54 2HG ARG 54 -6.500 -6.489 -7.846 386 HG3 ARG 54 1HG ARG 54 -6.563 -6.745 -9.594 387 HD2 ARG 54 2HD ARG 54 -4.209 -6.397 -9.802 388 HD3 ARG 54 1HD ARG 54 -4.088 -5.885 -8.122 389 HE ARG 54 HE ARG 54 -5.133 -8.525 -8.376 390 HH11 ARG 54 1HH1 ARG 54 -2.164 -6.673 -8.310 391 HH12 ARG 54 2HH1 ARG 54 -1.192 -8.017 -7.821 392 HH21 ARG 54 1HH2 ARG 54 -3.872 -10.292 -7.744 393 HH22 ARG 54 2HH2 ARG 54 -2.165 -10.080 -7.472 394 H ASN 55 H ASN 55 -8.397 -3.208 -9.351 395 HA ASN 55 HA ASN 55 -10.280 -3.234 -11.412 396 HB2 ASN 55 2HB ASN 55 -11.894 -4.909 -10.262 397 HB3 ASN 55 1HB ASN 55 -10.640 -5.521 -11.327 398 HD21 ASN 55 1HD2 ASN 55 -10.692 -7.529 -10.396 399 HD22 ASN 55 2HD2 ASN 55 -10.042 -7.850 -8.820 400 H GLY 56 H GLY 56 -10.492 -3.889 -7.906 401 HA2 GLY 56 2HA GLY 56 -11.217 -2.508 -6.202 402 HA3 GLY 56 1HA GLY 56 -11.347 -1.192 -7.361 403 H LYS 11 H LYS 11 12.809 -13.538 2.535 404 HA LYS 11 HA LYS 11 10.892 -12.233 3.261 405 HB2 LYS 11 2HB LYS 11 10.888 -14.748 3.071 406 HB3 LYS 11 1HB LYS 11 11.206 -14.824 4.797 407 HG2 LYS 11 2HG LYS 11 8.840 -15.180 4.268 408 HG3 LYS 11 1HG LYS 11 9.087 -13.749 5.269 409 HD2 LYS 11 2HD LYS 11 8.907 -12.327 3.294 410 HD3 LYS 11 1HD LYS 11 8.687 -13.753 2.277 411 HE2 LYS 11 2HE LYS 11 6.616 -14.280 3.382 412 HE3 LYS 11 1HE LYS 11 6.861 -12.983 4.550 413 HZ1 LYS 11 2HZ LYS 11 5.299 -12.344 2.823 414 HZ2 LYS 11 3HZ LYS 11 6.463 -12.615 1.626 415 HZ3 LYS 11 1HZ LYS 11 6.690 -11.373 2.759 416 H GLN 12 H GLN 12 12.566 -10.699 4.585 417 HA GLN 12 HA GLN 12 12.205 -10.990 7.450 418 HB2 GLN 12 2HB GLN 12 13.515 -8.892 7.581 419 HB3 GLN 12 1HB GLN 12 14.338 -10.144 6.661 420 HG2 GLN 12 2HG GLN 12 13.581 -9.064 4.577 421 HG3 GLN 12 1HG GLN 12 12.847 -7.784 5.537 422 HE21 GLN 12 1HE2 GLN 12 15.022 -7.801 7.500 423 HE22 GLN 12 2HE2 GLN 12 16.359 -7.011 6.725 424 H LYS 13 H LYS 13 10.765 -9.868 8.686 425 HA LYS 13 HA LYS 13 8.813 -8.311 7.139 426 HB2 LYS 13 2HB LYS 13 7.137 -8.945 8.832 427 HB3 LYS 13 1HB LYS 13 7.804 -10.327 7.983 428 HG2 LYS 13 2HG LYS 13 9.280 -10.759 9.896 429 HG3 LYS 13 1HG LYS 13 8.530 -9.402 10.748 430 HD2 LYS 13 2HD LYS 13 6.340 -10.504 10.558 431 HD3 LYS 13 1HD LYS 13 7.098 -11.860 9.729 432 HE2 LYS 13 2HE LYS 13 8.433 -12.320 11.763 433 HE3 LYS 13 1HE LYS 13 7.607 -10.992 12.581 434 HZ1 LYS 13 3HZ LYS 13 6.547 -13.013 13.178 435 HZ2 LYS 13 1HZ LYS 13 6.391 -13.493 11.558 436 HZ3 LYS 13 2HZ LYS 13 5.495 -12.180 12.144 437 H ALA 14 H ALA 14 7.746 -6.570 8.110 438 HA ALA 14 HA ALA 14 9.055 -5.352 10.431 439 HB1 ALA 14 1HB ALA 14 10.163 -4.395 8.496 440 HB2 ALA 14 2HB ALA 14 9.137 -3.190 9.278 441 HB3 ALA 14 3HB ALA 14 8.601 -3.974 7.788 442 H VAL 15 H VAL 15 7.725 -3.408 11.157 443 HA VAL 15 HA VAL 15 4.877 -4.060 10.787 444 HB VAL 15 HB VAL 15 5.823 -2.309 13.001 445 HG11 VAL 15 1HG1 VAL 15 3.442 -2.553 12.633 446 HG12 VAL 15 2HG1 VAL 15 3.912 -3.261 14.178 447 HG13 VAL 15 3HG1 VAL 15 3.587 -4.303 12.792 448 HG21 VAL 15 3HG2 VAL 15 6.136 -4.266 14.462 449 HG22 VAL 15 1HG2 VAL 15 7.326 -4.191 13.164 450 HG23 VAL 15 2HG2 VAL 15 5.968 -5.315 13.050 451 H PHE 16 H PHE 16 3.401 -2.205 10.840 452 HA PHE 16 HA PHE 16 4.553 0.359 10.110 453 HB2 PHE 16 2HB PHE 16 4.170 -1.253 8.047 454 HB3 PHE 16 1HB PHE 16 2.498 -0.742 8.243 455 HD1 PHE 16 2HD PHE 16 5.621 1.214 8.704 456 HD2 PHE 16 1HD PHE 16 2.084 0.624 6.412 457 HE1 PHE 16 2HE PHE 16 6.126 3.243 7.411 458 HE2 PHE 16 1HE PHE 16 2.592 2.649 5.106 459 HZ PHE 16 HZ PHE 16 4.610 3.960 5.611 460 H GLY 17 H GLY 17 3.433 1.872 11.112 461 HA2 GLY 17 2HA GLY 17 0.564 1.397 11.641 462 HA3 GLY 17 1HA GLY 17 1.634 2.051 12.875 463 H ILE 18 H ILE 18 -0.199 2.719 10.031 464 HA ILE 18 HA ILE 18 0.652 5.537 10.143 465 HB ILE 18 HB ILE 18 0.263 5.673 7.714 466 HG12 ILE 18 2HG1 ILE 18 0.135 2.647 7.791 467 HG13 ILE 18 1HG1 ILE 18 -1.289 3.677 7.623 468 HG21 ILE 18 1HG2 ILE 18 2.314 4.458 7.071 469 HG22 ILE 18 2HG2 ILE 18 2.277 3.630 8.629 470 HG23 ILE 18 3HG2 ILE 18 2.501 5.378 8.565 471 HD11 ILE 18 3HD1 ILE 18 1.037 3.528 5.719 472 HD12 ILE 18 1HD1 ILE 18 -0.381 4.557 5.535 473 HD13 ILE 18 2HD1 ILE 18 -0.552 2.804 5.483 474 H TYR 19 H TYR 19 -0.918 7.051 9.201 475 HA TYR 19 HA TYR 19 -3.683 6.168 9.681 476 HB2 TYR 19 2HB TYR 19 -2.515 8.961 9.756 477 HB3 TYR 19 1HB TYR 19 -4.217 8.574 9.979 478 HD1 TYR 19 1HD TYR 19 -4.702 6.815 11.906 479 HD2 TYR 19 2HD TYR 19 -1.195 9.211 11.625 480 HE1 TYR 19 1HE TYR 19 -4.334 6.559 14.319 481 HE2 TYR 19 2HE TYR 19 -0.815 8.947 14.040 482 HH TYR 19 HH TYR 19 -2.541 6.672 15.933 483 H MET 20 H MET 20 -4.205 5.398 7.720 484 HA MET 20 HA MET 20 -3.842 7.136 5.369 485 HB2 MET 20 2HB MET 20 -4.130 5.114 4.011 486 HB3 MET 20 1HB MET 20 -2.826 4.897 5.171 487 HG2 MET 20 2HG MET 20 -4.494 3.707 6.640 488 HG3 MET 20 1HG MET 20 -5.599 3.735 5.262 489 HE1 MET 20 3HE MET 20 -3.825 3.288 2.771 490 HE2 MET 20 1HE MET 20 -5.255 2.291 3.038 491 HE3 MET 20 2HE MET 20 -3.712 1.536 2.626 492 H ASP 21 H ASP 21 -5.655 7.274 3.827 493 HA ASP 21 HA ASP 21 -8.035 7.969 5.061 494 HB2 ASP 21 2HB ASP 21 -7.337 7.418 2.196 495 HB3 ASP 21 1HB ASP 21 -9.017 7.600 2.676 496 H LYS 22 H LYS 22 -10.130 7.052 4.979 497 HA LYS 22 HA LYS 22 -9.981 4.273 5.720 498 HB2 LYS 22 2HB LYS 22 -11.325 5.740 7.102 499 HB3 LYS 22 1HB LYS 22 -12.268 6.247 5.701 500 HG2 LYS 22 2HG LYS 22 -13.269 4.104 5.495 501 HG3 LYS 22 1HG LYS 22 -12.185 3.415 6.706 502 HD2 LYS 22 2HD LYS 22 -14.105 5.647 7.340 503 HD3 LYS 22 1HD LYS 22 -14.556 3.948 7.460 504 HE2 LYS 22 2HE LYS 22 -13.914 4.527 9.632 505 HE3 LYS 22 1HE LYS 22 -12.510 3.692 8.973 506 HZ1 LYS 22 3HZ LYS 22 -11.856 5.677 10.177 507 HZ2 LYS 22 1HZ LYS 22 -12.850 6.639 9.197 508 HZ3 LYS 22 2HZ LYS 22 -11.503 5.862 8.532 509 H ASP 23 H ASP 23 -12.009 6.148 3.510 510 HA ASP 23 HA ASP 23 -13.344 4.114 2.269 511 HB2 ASP 23 2HB ASP 23 -13.979 6.355 1.804 512 HB3 ASP 23 1HB ASP 23 -12.380 6.757 1.193 513 H LEU 24 H LEU 24 -10.081 5.240 1.592 514 HA LEU 24 HA LEU 24 -9.699 3.660 -0.739 515 HB2 LEU 24 2HB LEU 24 -8.273 5.455 -0.650 516 HB3 LEU 24 1HB LEU 24 -8.025 5.298 1.079 517 HG LEU 24 HG LEU 24 -6.909 2.992 0.037 518 HD11 LEU 24 1HD1 LEU 24 -5.279 3.942 -1.602 519 HD12 LEU 24 2HD1 LEU 24 -6.332 5.350 -1.729 520 HD13 LEU 24 3HD1 LEU 24 -6.924 3.755 -2.201 521 HD21 LEU 24 3HD2 LEU 24 -4.860 3.953 0.836 522 HD22 LEU 24 1HD2 LEU 24 -6.185 4.386 1.921 523 HD23 LEU 24 2HD2 LEU 24 -5.557 5.573 0.771 524 H LYS 25 H LYS 25 -8.339 3.380 2.552 525 HA LYS 25 HA LYS 25 -7.158 0.864 2.251 526 HB2 LYS 25 2HB LYS 25 -6.859 2.486 4.156 527 HB3 LYS 25 1HB LYS 25 -8.427 1.974 4.766 528 HG2 LYS 25 2HG LYS 25 -7.501 -0.367 4.838 529 HG3 LYS 25 1HG LYS 25 -5.921 0.351 4.514 530 HD2 LYS 25 2HD LYS 25 -5.883 0.301 6.803 531 HD3 LYS 25 1HD LYS 25 -6.581 1.901 6.534 532 HE2 LYS 25 2HE LYS 25 -8.144 -0.625 7.074 533 HE3 LYS 25 1HE LYS 25 -7.776 0.612 8.273 534 HZ1 LYS 25 3HZ LYS 25 -9.973 0.962 7.498 535 HZ2 LYS 25 1HZ LYS 25 -9.498 0.878 5.873 536 HZ3 LYS 25 2HZ LYS 25 -9.020 2.190 6.825 537 H THR 26 H THR 26 -10.416 1.855 2.957 538 HA THR 26 HA THR 26 -11.341 -0.729 3.771 539 HB THR 26 HB THR 26 -12.789 1.859 3.182 540 HG1 THR 26 1HG THR 26 -12.081 0.433 5.554 541 HG21 THR 26 3HG2 THR 26 -14.291 -0.039 2.705 542 HG22 THR 26 1HG2 THR 26 -14.787 0.828 4.159 543 HG23 THR 26 2HG2 THR 26 -13.941 -0.713 4.296 544 H ARG 27 H ARG 27 -11.298 1.135 0.819 545 HA ARG 27 HA ARG 27 -12.912 -0.486 -0.793 546 HB2 ARG 27 2HB ARG 27 -12.159 1.564 -1.719 547 HB3 ARG 27 1HB ARG 27 -10.485 1.218 -1.334 548 HG2 ARG 27 2HG ARG 27 -10.812 1.050 -3.699 549 HG3 ARG 27 1HG ARG 27 -10.476 -0.548 -3.025 550 HD2 ARG 27 2HD ARG 27 -12.254 -0.666 -4.684 551 HD3 ARG 27 1HD ARG 27 -12.870 -1.067 -3.083 552 HE ARG 27 HE ARG 27 -13.278 1.677 -3.552 553 HH11 ARG 27 1HH1 ARG 27 -14.415 -1.418 -4.736 554 HH12 ARG 27 2HH1 ARG 27 -15.999 -0.831 -5.126 555 HH21 ARG 27 1HH2 ARG 27 -15.382 2.444 -4.023 556 HH22 ARG 27 2HH2 ARG 27 -16.548 1.359 -4.729 557 H LEU 28 H LEU 28 -9.404 -0.557 -0.357 558 HA LEU 28 HA LEU 28 -8.850 -2.995 -1.518 559 HB2 LEU 28 2HB LEU 28 -7.289 -1.200 -0.770 560 HB3 LEU 28 1HB LEU 28 -7.493 -1.767 0.876 561 HG LEU 28 HG LEU 28 -5.409 -2.480 -0.388 562 HD11 LEU 28 1HD1 LEU 28 -7.135 -4.651 0.770 563 HD12 LEU 28 2HD1 LEU 28 -6.253 -3.454 1.718 564 HD13 LEU 28 3HD1 LEU 28 -5.370 -4.604 0.709 565 HD21 LEU 28 3HD2 LEU 28 -7.375 -4.383 -1.638 566 HD22 LEU 28 1HD2 LEU 28 -5.627 -4.341 -1.892 567 HD23 LEU 28 2HD2 LEU 28 -6.641 -3.009 -2.461 568 H LYS 29 H LYS 29 -9.943 -2.272 1.778 569 HA LYS 29 HA LYS 29 -9.680 -4.804 2.908 570 HB2 LYS 29 2HB LYS 29 -10.268 -2.828 4.210 571 HB3 LYS 29 1HB LYS 29 -11.813 -2.722 3.384 572 HG2 LYS 29 2HG LYS 29 -11.116 -5.163 4.955 573 HG3 LYS 29 1HG LYS 29 -11.691 -3.709 5.767 574 HD2 LYS 29 2HD LYS 29 -13.709 -3.738 4.383 575 HD3 LYS 29 1HD LYS 29 -13.133 -5.193 3.570 576 HE2 LYS 29 2HE LYS 29 -14.762 -5.746 5.287 577 HE3 LYS 29 1HE LYS 29 -13.174 -6.392 5.703 578 HZ1 LYS 29 3HZ LYS 29 -12.842 -4.564 7.216 579 HZ2 LYS 29 1HZ LYS 29 -14.287 -5.362 7.598 580 HZ3 LYS 29 2HZ LYS 29 -14.327 -3.877 6.776 581 H VAL 30 H VAL 30 -12.292 -3.452 0.978 582 HA VAL 30 HA VAL 30 -13.947 -5.732 1.018 583 HB VAL 30 HB VAL 30 -13.744 -3.557 -1.044 584 HG11 VAL 30 1HG1 VAL 30 -15.959 -5.532 -0.522 585 HG12 VAL 30 2HG1 VAL 30 -14.910 -5.488 -1.939 586 HG13 VAL 30 3HG1 VAL 30 -16.044 -4.171 -1.639 587 HG21 VAL 30 3HG2 VAL 30 -14.164 -2.792 1.253 588 HG22 VAL 30 1HG2 VAL 30 -15.589 -3.829 1.316 589 HG23 VAL 30 2HG2 VAL 30 -15.530 -2.483 0.175 590 H TYR 31 H TYR 31 -11.295 -4.739 -0.970 591 HA TYR 31 HA TYR 31 -11.478 -6.728 -2.954 592 HB2 TYR 31 2HB TYR 31 -10.090 -4.718 -3.191 593 HB3 TYR 31 1HB TYR 31 -9.067 -5.260 -1.861 594 HD1 TYR 31 2HD TYR 31 -10.125 -6.044 -5.313 595 HD2 TYR 31 1HD TYR 31 -7.292 -6.751 -2.226 596 HE1 TYR 31 2HE TYR 31 -8.710 -7.249 -6.897 597 HE2 TYR 31 1HE TYR 31 -5.858 -7.954 -3.805 598 HH TYR 31 HH TYR 31 -6.133 -9.201 -5.972 599 H CYS 32 H CYS 32 -9.980 -6.580 0.221 600 HA CYS 32 HA CYS 32 -8.764 -9.171 0.065 601 HB2 CYS 32 2HB CYS 32 -9.388 -7.459 2.473 602 HB3 CYS 32 1HB CYS 32 -8.352 -8.880 2.473 603 HG CYS 32 HG CYS 32 -7.746 -5.902 0.912 604 H ALA 33 H ALA 33 -11.884 -7.981 0.929 605 HA ALA 33 HA ALA 33 -12.693 -10.373 2.311 606 HB1 ALA 33 1HB ALA 33 -14.349 -8.081 1.260 607 HB2 ALA 33 2HB ALA 33 -13.654 -8.192 2.875 608 HB3 ALA 33 3HB ALA 33 -14.897 -9.337 2.371 609 H LYS 34 H LYS 34 -12.914 -9.028 -0.892 610 HA LYS 34 HA LYS 34 -14.740 -10.936 -1.927 611 HB2 LYS 34 2HB LYS 34 -14.475 -8.665 -2.849 612 HB3 LYS 34 1HB LYS 34 -12.832 -9.056 -3.326 613 HG2 LYS 34 2HG LYS 34 -13.751 -10.805 -4.830 614 HG3 LYS 34 1HG LYS 34 -15.370 -10.230 -4.422 615 HD2 LYS 34 2HD LYS 34 -14.762 -7.992 -5.250 616 HD3 LYS 34 1HD LYS 34 -13.170 -8.603 -5.697 617 HE2 LYS 34 2HE LYS 34 -14.558 -8.538 -7.655 618 HE3 LYS 34 1HE LYS 34 -14.271 -10.220 -7.215 619 HZ1 LYS 34 3HZ LYS 34 -16.445 -10.356 -6.264 620 HZ2 LYS 34 1HZ LYS 34 -16.595 -9.732 -7.832 621 HZ3 LYS 34 2HZ LYS 34 -16.716 -8.701 -6.487 622 H ASN 35 H ASN 35 -11.230 -10.567 -2.061 623 HA ASN 35 HA ASN 35 -11.017 -13.091 -3.521 624 HB2 ASN 35 2HB ASN 35 -8.956 -11.029 -2.729 625 HB3 ASN 35 1HB ASN 35 -8.558 -12.541 -3.537 626 HD21 ASN 35 1HD2 ASN 35 -10.028 -9.411 -3.871 627 HD22 ASN 35 2HD2 ASN 35 -10.147 -9.443 -5.606 628 H ASN 36 H ASN 36 -11.497 -12.286 -0.466 629 HA ASN 36 HA ASN 36 -10.948 -13.047 1.607 630 HB2 ASN 36 2HB ASN 36 -10.333 -15.488 -0.045 631 HB3 ASN 36 1HB ASN 36 -10.336 -15.499 1.718 632 HD21 ASN 36 1HD2 ASN 36 -12.010 -16.947 -0.192 633 HD22 ASN 36 2HD2 ASN 36 -13.644 -16.508 0.164 634 H LEU 37 H LEU 37 -8.854 -11.750 -0.062 635 HA LEU 37 HA LEU 37 -6.328 -12.882 0.634 636 HB2 LEU 37 2HB LEU 37 -7.338 -10.557 -0.801 637 HB3 LEU 37 1HB LEU 37 -5.917 -10.187 0.156 638 HG LEU 37 HG LEU 37 -4.616 -11.837 -1.015 639 HD11 LEU 37 1HD1 LEU 37 -7.142 -12.504 -2.520 640 HD12 LEU 37 2HD1 LEU 37 -6.331 -13.534 -1.339 641 HD13 LEU 37 3HD1 LEU 37 -5.534 -13.143 -2.863 642 HD21 LEU 37 3HD2 LEU 37 -4.777 -9.643 -2.032 643 HD22 LEU 37 1HD2 LEU 37 -6.230 -10.130 -2.904 644 HD23 LEU 37 2HD2 LEU 37 -4.680 -10.885 -3.281 645 H GLN 38 H GLN 38 -4.729 -11.738 1.939 646 HA GLN 38 HA GLN 38 -5.857 -10.859 4.453 647 HB2 GLN 38 2HB GLN 38 -2.976 -11.144 3.584 648 HB3 GLN 38 1HB GLN 38 -3.508 -10.756 5.214 649 HG2 GLN 38 2HG GLN 38 -4.595 -12.905 5.398 650 HG3 GLN 38 1HG GLN 38 -4.141 -13.288 3.739 651 HE21 GLN 38 1HE2 GLN 38 -1.964 -13.731 3.264 652 HE22 GLN 38 2HE2 GLN 38 -0.833 -14.138 4.507 653 H LEU 39 H LEU 39 -5.958 -8.765 5.122 654 HA LEU 39 HA LEU 39 -5.858 -6.604 3.450 655 HB2 LEU 39 2HB LEU 39 -6.100 -7.001 6.226 656 HB3 LEU 39 1HB LEU 39 -4.884 -5.759 6.010 657 HG LEU 39 HG LEU 39 -6.927 -4.615 6.267 658 HD11 LEU 39 1HD1 LEU 39 -6.374 -4.797 3.313 659 HD12 LEU 39 2HD1 LEU 39 -5.571 -3.728 4.464 660 HD13 LEU 39 3HD1 LEU 39 -7.287 -3.520 4.117 661 HD21 LEU 39 3HD2 LEU 39 -8.938 -5.110 4.971 662 HD22 LEU 39 1HD2 LEU 39 -8.436 -6.493 5.945 663 HD23 LEU 39 2HD2 LEU 39 -8.113 -6.471 4.211 664 H THR 40 H THR 40 -3.217 -7.641 5.575 665 HA THR 40 HA THR 40 -1.337 -5.755 4.804 666 HB THR 40 HB THR 40 -0.665 -8.581 5.585 667 HG1 THR 40 1HG THR 40 -0.791 -7.624 7.796 668 HG21 THR 40 3HG2 THR 40 0.689 -5.947 6.157 669 HG22 THR 40 1HG2 THR 40 1.223 -7.150 4.984 670 HG23 THR 40 2HG2 THR 40 1.239 -7.530 6.707 671 H GLN 41 H GLN 41 -1.852 -9.024 3.588 672 HA GLN 41 HA GLN 41 0.213 -9.212 1.762 673 HB2 GLN 41 2HB GLN 41 -1.451 -10.989 2.528 674 HB3 GLN 41 1HB GLN 41 -2.555 -10.331 1.330 675 HG2 GLN 41 2HG GLN 41 -0.867 -10.816 -0.416 676 HG3 GLN 41 1HG GLN 41 0.127 -11.592 0.820 677 HE21 GLN 41 1HE2 GLN 41 -2.701 -11.837 -1.146 678 HE22 GLN 41 2HE2 GLN 41 -3.080 -13.486 -0.767 679 H ALA 42 H ALA 42 -2.982 -7.775 1.430 680 HA ALA 42 HA ALA 42 -2.786 -7.231 -1.368 681 HB1 ALA 42 1HB ALA 42 -4.548 -5.966 0.710 682 HB2 ALA 42 2HB ALA 42 -4.924 -7.428 -0.205 683 HB3 ALA 42 3HB ALA 42 -4.763 -5.880 -1.038 684 H ILE 43 H ILE 43 -2.272 -5.280 1.576 685 HA ILE 43 HA ILE 43 -1.579 -2.877 0.311 686 HB ILE 43 HB ILE 43 -1.027 -4.072 2.972 687 HG12 ILE 43 2HG1 ILE 43 -1.794 -1.808 3.709 688 HG13 ILE 43 1HG1 ILE 43 -1.991 -1.375 2.016 689 HG21 ILE 43 1HG2 ILE 43 0.593 -1.743 1.961 690 HG22 ILE 43 2HG2 ILE 43 1.201 -3.369 2.305 691 HG23 ILE 43 3HG2 ILE 43 0.572 -2.362 3.616 692 HD11 ILE 43 3HD1 ILE 43 -3.614 -3.225 1.786 693 HD12 ILE 43 1HD1 ILE 43 -4.114 -1.974 2.925 694 HD13 ILE 43 2HD1 ILE 43 -3.477 -3.506 3.523 695 H GLU 44 H GLU 44 0.402 -5.645 1.202 696 HA GLU 44 HA GLU 44 2.873 -4.567 0.411 697 HB2 GLU 44 2HB GLU 44 1.986 -7.450 0.589 698 HB3 GLU 44 1HB GLU 44 3.654 -6.928 0.405 699 HG2 GLU 44 2HG GLU 44 3.508 -5.760 2.548 700 HG3 GLU 44 1HG GLU 44 1.851 -6.318 2.732 701 H GLU 45 H GLU 45 0.579 -6.650 -1.332 702 HA GLU 45 HA GLU 45 2.049 -6.695 -3.746 703 HB2 GLU 45 2HB GLU 45 -0.913 -7.008 -3.240 704 HB3 GLU 45 1HB GLU 45 -0.141 -7.307 -4.790 705 HG2 GLU 45 2HG GLU 45 0.472 -8.765 -2.229 706 HG3 GLU 45 1HG GLU 45 -0.554 -9.366 -3.529 707 H ALA 46 H ALA 46 -0.294 -4.468 -2.377 708 HA ALA 46 HA ALA 46 -0.733 -2.879 -4.652 709 HB1 ALA 46 1HB ALA 46 -2.111 -2.794 -2.607 710 HB2 ALA 46 2HB ALA 46 -1.549 -1.198 -3.107 711 HB3 ALA 46 3HB ALA 46 -0.771 -2.028 -1.752 712 H ILE 47 H ILE 47 1.462 -2.423 -1.907 713 HA ILE 47 HA ILE 47 2.628 -0.094 -2.960 714 HB ILE 47 HB ILE 47 2.452 -0.704 -0.536 715 HG12 ILE 47 2HG1 ILE 47 5.148 0.093 -1.643 716 HG13 ILE 47 1HG1 ILE 47 3.821 1.153 -1.198 717 HG21 ILE 47 1HG2 ILE 47 4.307 -2.066 0.411 718 HG22 ILE 47 2HG2 ILE 47 4.688 -2.578 -1.237 719 HG23 ILE 47 3HG2 ILE 47 3.120 -2.980 -0.527 720 HD11 ILE 47 3HD1 ILE 47 5.520 1.214 0.496 721 HD12 ILE 47 1HD1 ILE 47 5.433 -0.541 0.691 722 HD13 ILE 47 2HD1 ILE 47 4.055 0.466 1.139 723 H LYS 48 H LYS 48 3.273 -3.472 -3.314 724 HA LYS 48 HA LYS 48 5.971 -3.256 -4.217 725 HB2 LYS 48 2HB LYS 48 5.076 -5.366 -3.378 726 HB3 LYS 48 1HB LYS 48 3.882 -5.390 -4.663 727 HG2 LYS 48 2HG LYS 48 5.455 -6.878 -5.437 728 HG3 LYS 48 1HG LYS 48 5.934 -5.388 -6.244 729 HD2 LYS 48 2HD LYS 48 7.166 -6.316 -3.653 730 HD3 LYS 48 1HD LYS 48 7.796 -6.784 -5.228 731 HE2 LYS 48 2HE LYS 48 7.962 -4.294 -5.734 732 HE3 LYS 48 1HE LYS 48 7.666 -4.030 -4.017 733 HZ1 LYS 48 3HZ LYS 48 9.919 -5.595 -5.172 734 HZ2 LYS 48 1HZ LYS 48 9.628 -5.375 -3.516 735 HZ3 LYS 48 2HZ LYS 48 10.029 -4.050 -4.488 736 H GLU 49 H GLU 49 2.873 -3.805 -5.880 737 HA GLU 49 HA GLU 49 3.992 -3.533 -8.483 738 HB2 GLU 49 2HB GLU 49 1.195 -3.684 -7.384 739 HB3 GLU 49 1HB GLU 49 1.430 -3.196 -9.055 740 HG2 GLU 49 2HG GLU 49 2.140 -5.292 -9.720 741 HG3 GLU 49 1HG GLU 49 2.722 -5.723 -8.111 742 H TYR 50 H TYR 50 3.208 -1.296 -6.123 743 HA TYR 50 HA TYR 50 2.606 0.891 -7.836 744 HB2 TYR 50 2HB TYR 50 1.783 0.926 -5.592 745 HB3 TYR 50 1HB TYR 50 3.395 0.656 -4.941 746 HD1 TYR 50 1HD TYR 50 1.539 3.143 -7.024 747 HD2 TYR 50 2HD TYR 50 4.522 2.418 -4.095 748 HE1 TYR 50 1HE TYR 50 1.783 5.565 -6.690 749 HE2 TYR 50 2HE TYR 50 4.785 4.834 -3.738 750 HH TYR 50 HH TYR 50 4.380 6.944 -5.077 751 H LEU 51 H LEU 51 5.439 -0.167 -5.970 752 HA LEU 51 HA LEU 51 7.215 1.780 -6.902 753 HB2 LEU 51 2HB LEU 51 7.504 -0.897 -5.692 754 HB3 LEU 51 1HB LEU 51 8.883 -0.295 -6.584 755 HG LEU 51 HG LEU 51 9.506 0.642 -4.661 756 HD11 LEU 51 1HD1 LEU 51 7.180 2.482 -5.161 757 HD12 LEU 51 2HD1 LEU 51 8.792 2.619 -5.866 758 HD13 LEU 51 3HD1 LEU 51 8.569 2.821 -4.129 759 HD21 LEU 51 3HD2 LEU 51 6.670 0.299 -3.723 760 HD22 LEU 51 1HD2 LEU 51 7.978 0.939 -2.718 761 HD23 LEU 51 2HD2 LEU 51 8.066 -0.713 -3.336 762 H GLN 52 H GLN 52 6.274 -1.314 -8.311 763 HA GLN 52 HA GLN 52 8.202 -1.162 -10.412 764 HB2 GLN 52 2HB GLN 52 5.871 -2.920 -9.824 765 HB3 GLN 52 1HB GLN 52 6.451 -2.864 -11.481 766 HG2 GLN 52 2HG GLN 52 7.545 -4.682 -10.503 767 HG3 GLN 52 1HG GLN 52 8.744 -3.394 -10.558 768 HE21 GLN 52 1HE2 GLN 52 6.727 -5.360 -8.558 769 HE22 GLN 52 2HE2 GLN 52 7.475 -4.947 -7.057 770 H LYS 53 H LYS 53 4.821 -0.242 -10.110 771 HA LYS 53 HA LYS 53 4.512 0.451 -12.861 772 HB2 LYS 53 2HB LYS 53 2.659 -0.136 -11.234 773 HB3 LYS 53 1HB LYS 53 2.865 1.467 -10.551 774 HG2 LYS 53 2HG LYS 53 2.302 2.460 -12.708 775 HG3 LYS 53 1HG LYS 53 2.094 0.847 -13.394 776 HD2 LYS 53 2HD LYS 53 -0.076 1.631 -12.832 777 HD3 LYS 53 1HD LYS 53 0.362 0.437 -11.610 778 HE2 LYS 53 2HE LYS 53 -0.610 2.253 -10.448 779 HE3 LYS 53 1HE LYS 53 1.128 2.354 -10.174 780 HZ1 LYS 53 3HZ LYS 53 -0.467 3.976 -12.084 781 HZ2 LYS 53 1HZ LYS 53 1.228 4.021 -11.975 782 HZ3 LYS 53 2HZ LYS 53 0.280 4.519 -10.659 783 H ARG 54 H ARG 54 6.044 1.896 -10.249 784 HA ARG 54 HA ARG 54 5.750 4.580 -11.362 785 HB2 ARG 54 2HB ARG 54 5.395 3.836 -8.832 786 HB3 ARG 54 1HB ARG 54 7.136 4.068 -8.777 787 HG2 ARG 54 2HG ARG 54 6.459 6.158 -8.179 788 HG3 ARG 54 1HG ARG 54 6.481 6.361 -9.935 789 HD2 ARG 54 2HD ARG 54 4.127 5.997 -10.079 790 HD3 ARG 54 1HD ARG 54 4.046 5.543 -8.381 791 HE ARG 54 HE ARG 54 5.077 8.177 -8.758 792 HH11 ARG 54 1HH1 ARG 54 2.122 6.324 -8.553 793 HH12 ARG 54 2HH1 ARG 54 1.159 7.677 -8.065 794 HH21 ARG 54 1HH2 ARG 54 3.812 9.965 -8.132 795 HH22 ARG 54 2HH2 ARG 54 2.118 9.747 -7.817 796 H ASN 55 H ASN 55 8.330 2.833 -9.630 797 HA ASN 55 HA ASN 55 10.168 2.800 -11.733 798 HB2 ASN 55 2HB ASN 55 11.799 4.520 -10.675 799 HB3 ASN 55 1HB ASN 55 10.516 5.096 -11.728 800 HD21 ASN 55 1HD2 ASN 55 10.603 7.138 -10.839 801 HD22 ASN 55 2HD2 ASN 55 9.990 7.491 -9.260 802 H GLY 56 H GLY 56 10.454 3.567 -8.252 803 HA2 GLY 56 2HA GLY 56 11.214 2.242 -6.520 804 HA3 GLY 56 1HA GLY 56 11.320 0.888 -7.641 Start of MODEL 5 1 H LYS 11 H LYS 11 -8.601 11.664 3.702 2 HA LYS 11 HA LYS 11 -10.369 14.035 3.673 3 HB2 LYS 11 2HB LYS 11 -10.994 11.165 2.942 4 HB3 LYS 11 1HB LYS 11 -12.115 12.519 2.907 5 HG2 LYS 11 2HG LYS 11 -10.806 13.553 1.119 6 HG3 LYS 11 1HG LYS 11 -9.687 12.189 1.153 7 HD2 LYS 11 2HD LYS 11 -12.637 12.006 0.542 8 HD3 LYS 11 1HD LYS 11 -11.350 12.020 -0.664 9 HE2 LYS 11 2HE LYS 11 -10.429 9.961 0.316 10 HE3 LYS 11 1HE LYS 11 -11.738 9.950 1.498 11 HZ1 LYS 11 2HZ LYS 11 -12.212 8.468 -0.358 12 HZ2 LYS 11 3HZ LYS 11 -12.067 9.755 -1.453 13 HZ3 LYS 11 1HZ LYS 11 -13.327 9.744 -0.315 14 H GLN 12 H GLN 12 -11.062 10.731 4.575 15 HA GLN 12 HA GLN 12 -11.220 11.581 7.382 16 HB2 GLN 12 2HB GLN 12 -12.872 9.774 7.702 17 HB3 GLN 12 1HB GLN 12 -13.424 11.001 6.575 18 HG2 GLN 12 2HG GLN 12 -12.784 9.512 4.709 19 HG3 GLN 12 1HG GLN 12 -12.362 8.271 5.888 20 HE21 GLN 12 1HE2 GLN 12 -14.591 9.080 7.655 21 HE22 GLN 12 2HE2 GLN 12 -16.026 8.457 6.910 22 H LYS 13 H LYS 13 -9.853 10.642 8.720 23 HA LYS 13 HA LYS 13 -8.028 8.748 7.444 24 HB2 LYS 13 2HB LYS 13 -6.383 9.363 9.137 25 HB3 LYS 13 1HB LYS 13 -6.968 10.774 8.280 26 HG2 LYS 13 2HG LYS 13 -8.341 11.400 10.155 27 HG3 LYS 13 1HG LYS 13 -7.953 9.892 10.990 28 HD2 LYS 13 2HD LYS 13 -5.576 10.557 11.033 29 HD3 LYS 13 1HD LYS 13 -6.004 12.080 10.259 30 HE2 LYS 13 2HE LYS 13 -6.944 11.139 12.972 31 HE3 LYS 13 1HE LYS 13 -5.712 12.360 12.664 32 HZ1 LYS 13 3HZ LYS 13 -8.607 12.537 12.037 33 HZ2 LYS 13 1HZ LYS 13 -7.453 13.663 11.496 34 HZ3 LYS 13 2HZ LYS 13 -7.735 13.464 13.155 35 H ALA 14 H ALA 14 -7.313 6.908 8.286 36 HA ALA 14 HA ALA 14 -8.530 5.879 10.754 37 HB1 ALA 14 1HB ALA 14 -8.241 4.400 8.137 38 HB2 ALA 14 2HB ALA 14 -9.755 4.939 8.868 39 HB3 ALA 14 3HB ALA 14 -8.787 3.696 9.661 40 H VAL 15 H VAL 15 -7.240 3.739 11.318 41 HA VAL 15 HA VAL 15 -4.388 4.325 10.836 42 HB VAL 15 HB VAL 15 -5.255 2.687 13.166 43 HG11 VAL 15 1HG1 VAL 15 -3.233 3.601 14.184 44 HG12 VAL 15 2HG1 VAL 15 -2.959 4.579 12.743 45 HG13 VAL 15 3HG1 VAL 15 -2.895 2.820 12.640 46 HG21 VAL 15 3HG2 VAL 15 -5.242 5.698 13.162 47 HG22 VAL 15 1HG2 VAL 15 -5.421 4.669 14.585 48 HG23 VAL 15 2HG2 VAL 15 -6.661 4.661 13.332 49 H PHE 16 H PHE 16 -2.982 2.419 10.870 50 HA PHE 16 HA PHE 16 -4.257 -0.118 10.249 51 HB2 PHE 16 2HB PHE 16 -3.991 1.423 8.137 52 HB3 PHE 16 1HB PHE 16 -2.299 0.960 8.250 53 HD1 PHE 16 2HD PHE 16 -5.359 -1.047 8.885 54 HD2 PHE 16 1HD PHE 16 -1.928 -0.441 6.442 55 HE1 PHE 16 2HE PHE 16 -5.876 -3.111 7.655 56 HE2 PHE 16 1HE PHE 16 -2.447 -2.502 5.199 57 HZ PHE 16 HZ PHE 16 -4.416 -3.841 5.811 58 H GLY 17 H GLY 17 -3.116 -1.624 11.281 59 HA2 GLY 17 2HA GLY 17 -0.212 -1.195 11.609 60 HA3 GLY 17 1HA GLY 17 -1.216 -1.782 12.928 61 H ILE 18 H ILE 18 0.431 -2.593 10.005 62 HA ILE 18 HA ILE 18 -0.480 -5.385 10.275 63 HB ILE 18 HB ILE 18 -0.167 -5.608 7.823 64 HG12 ILE 18 2HG1 ILE 18 -0.104 -2.586 7.792 65 HG13 ILE 18 1HG1 ILE 18 1.352 -3.570 7.661 66 HG21 ILE 18 1HG2 ILE 18 -2.156 -3.563 8.775 67 HG22 ILE 18 2HG2 ILE 18 -2.369 -5.315 8.760 68 HG23 ILE 18 3HG2 ILE 18 -2.254 -4.425 7.240 69 HD11 ILE 18 3HD1 ILE 18 0.569 -2.814 5.490 70 HD12 ILE 18 1HD1 ILE 18 -0.986 -3.594 5.768 71 HD13 ILE 18 2HD1 ILE 18 0.475 -4.571 5.618 72 H TYR 19 H TYR 19 1.021 -6.968 9.251 73 HA TYR 19 HA TYR 19 3.804 -6.160 9.732 74 HB2 TYR 19 2HB TYR 19 2.592 -8.934 9.729 75 HB3 TYR 19 1HB TYR 19 4.282 -8.559 10.038 76 HD1 TYR 19 1HD TYR 19 4.648 -6.791 12.004 77 HD2 TYR 19 2HD TYR 19 1.213 -9.264 11.536 78 HE1 TYR 19 1HE TYR 19 4.167 -6.570 14.402 79 HE2 TYR 19 2HE TYR 19 0.717 -9.038 13.933 80 HH TYR 19 HH TYR 19 1.919 -8.543 16.019 81 H MET 20 H MET 20 4.367 -5.391 7.772 82 HA MET 20 HA MET 20 3.984 -7.128 5.421 83 HB2 MET 20 2HB MET 20 4.308 -5.126 4.048 84 HB3 MET 20 1HB MET 20 3.001 -4.878 5.198 85 HG2 MET 20 2HG MET 20 4.641 -3.674 6.659 86 HG3 MET 20 1HG MET 20 5.798 -3.772 5.328 87 HE1 MET 20 3HE MET 20 4.036 -1.653 2.547 88 HE2 MET 20 1HE MET 20 4.135 -3.398 2.776 89 HE3 MET 20 2HE MET 20 5.564 -2.392 3.035 90 H ASP 21 H ASP 21 5.814 -7.249 3.866 91 HA ASP 21 HA ASP 21 8.175 -7.979 5.141 92 HB2 ASP 21 2HB ASP 21 7.498 -7.468 2.265 93 HB3 ASP 21 1HB ASP 21 9.179 -7.636 2.748 94 H LYS 22 H LYS 22 10.279 -7.080 5.029 95 HA LYS 22 HA LYS 22 10.242 -4.273 5.639 96 HB2 LYS 22 2HB LYS 22 11.616 -5.733 6.999 97 HB3 LYS 22 1HB LYS 22 12.466 -6.323 5.574 98 HG2 LYS 22 2HG LYS 22 13.286 -3.999 5.204 99 HG3 LYS 22 1HG LYS 22 12.595 -3.574 6.775 100 HD2 LYS 22 2HD LYS 22 14.008 -5.240 7.857 101 HD3 LYS 22 1HD LYS 22 14.678 -5.702 6.289 102 HE2 LYS 22 2HE LYS 22 15.439 -3.310 6.043 103 HE3 LYS 22 1HE LYS 22 14.991 -3.079 7.733 104 HZ1 LYS 22 3HZ LYS 22 16.977 -5.030 6.705 105 HZ2 LYS 22 1HZ LYS 22 16.541 -4.847 8.335 106 HZ3 LYS 22 2HZ LYS 22 17.335 -3.586 7.518 107 H ASP 23 H ASP 23 12.143 -6.284 3.453 108 HA ASP 23 HA ASP 23 13.512 -4.390 2.059 109 HB2 ASP 23 2HB ASP 23 14.101 -6.623 1.706 110 HB3 ASP 23 1HB ASP 23 12.454 -7.094 1.319 111 H LEU 24 H LEU 24 10.196 -5.374 1.541 112 HA LEU 24 HA LEU 24 9.859 -3.949 -0.912 113 HB2 LEU 24 2HB LEU 24 8.631 -5.945 -0.610 114 HB3 LEU 24 1HB LEU 24 8.107 -5.466 0.987 115 HG LEU 24 HG LEU 24 6.416 -5.528 -0.958 116 HD11 LEU 24 1HD1 LEU 24 5.989 -4.781 1.302 117 HD12 LEU 24 2HD1 LEU 24 5.151 -3.758 0.133 118 HD13 LEU 24 3HD1 LEU 24 6.632 -3.186 0.917 119 HD21 LEU 24 3HD2 LEU 24 7.579 -2.777 -1.394 120 HD22 LEU 24 1HD2 LEU 24 6.162 -3.462 -2.193 121 HD23 LEU 24 2HD2 LEU 24 7.763 -4.137 -2.501 122 H LYS 25 H LYS 25 8.606 -3.518 2.418 123 HA LYS 25 HA LYS 25 7.392 -1.021 2.014 124 HB2 LYS 25 2HB LYS 25 7.131 -2.558 3.998 125 HB3 LYS 25 1HB LYS 25 8.706 -2.014 4.552 126 HG2 LYS 25 2HG LYS 25 7.795 0.313 4.574 127 HG3 LYS 25 1HG LYS 25 6.207 -0.383 4.242 128 HD2 LYS 25 2HD LYS 25 6.138 -0.277 6.531 129 HD3 LYS 25 1HD LYS 25 6.794 -1.901 6.301 130 HE2 LYS 25 2HE LYS 25 8.421 0.586 6.833 131 HE3 LYS 25 1HE LYS 25 7.993 -0.623 8.041 132 HZ1 LYS 25 3HZ LYS 25 10.201 -1.037 7.291 133 HZ2 LYS 25 1HZ LYS 25 9.728 -1.008 5.665 134 HZ3 LYS 25 2HZ LYS 25 9.215 -2.263 6.671 135 H THR 26 H THR 26 10.643 -2.014 2.672 136 HA THR 26 HA THR 26 11.674 0.555 3.395 137 HB THR 26 HB THR 26 12.981 -2.087 2.741 138 HG1 THR 26 1HG THR 26 13.169 -0.734 5.201 139 HG21 THR 26 3HG2 THR 26 14.537 -0.323 2.067 140 HG22 THR 26 1HG2 THR 26 15.098 -1.113 3.540 141 HG23 THR 26 2HG2 THR 26 14.332 0.474 3.626 142 H ARG 27 H ARG 27 11.547 -1.350 0.455 143 HA ARG 27 HA ARG 27 13.046 0.260 -1.246 144 HB2 ARG 27 2HB ARG 27 12.274 -1.756 -2.156 145 HB3 ARG 27 1HB ARG 27 10.630 -1.485 -1.611 146 HG2 ARG 27 2HG ARG 27 10.669 -1.269 -3.971 147 HG3 ARG 27 1HG ARG 27 10.431 0.333 -3.268 148 HD2 ARG 27 2HD ARG 27 12.007 0.503 -5.086 149 HD3 ARG 27 1HD ARG 27 12.861 0.767 -3.566 150 HE ARG 27 HE ARG 27 13.115 -1.928 -4.109 151 HH11 ARG 27 1HH1 ARG 27 13.956 1.045 -5.762 152 HH12 ARG 27 2HH1 ARG 27 15.349 0.369 -6.535 153 HH21 ARG 27 1HH2 ARG 27 14.935 -2.819 -5.120 154 HH22 ARG 27 2HH2 ARG 27 15.927 -1.840 -6.157 155 H LEU 28 H LEU 28 9.587 0.403 -0.544 156 HA LEU 28 HA LEU 28 9.003 2.806 -1.843 157 HB2 LEU 28 2HB LEU 28 7.400 1.102 -1.019 158 HB3 LEU 28 1HB LEU 28 7.698 1.645 0.618 159 HG LEU 28 HG LEU 28 5.570 2.416 -0.520 160 HD11 LEU 28 1HD1 LEU 28 7.398 4.529 0.580 161 HD12 LEU 28 2HD1 LEU 28 6.519 3.344 1.545 162 HD13 LEU 28 3HD1 LEU 28 5.631 4.538 0.588 163 HD21 LEU 28 3HD2 LEU 28 7.511 4.260 -1.909 164 HD22 LEU 28 1HD2 LEU 28 5.750 4.384 -1.945 165 HD23 LEU 28 2HD2 LEU 28 6.554 2.995 -2.677 166 H LYS 29 H LYS 29 10.161 2.180 1.452 167 HA LYS 29 HA LYS 29 9.951 4.730 2.523 168 HB2 LYS 29 2HB LYS 29 10.583 2.788 3.850 169 HB3 LYS 29 1HB LYS 29 12.099 2.650 2.977 170 HG2 LYS 29 2HG LYS 29 11.470 5.140 4.506 171 HG3 LYS 29 1HG LYS 29 12.055 3.703 5.342 172 HD2 LYS 29 2HD LYS 29 14.060 3.685 3.996 173 HD3 LYS 29 1HD LYS 29 13.456 5.027 3.020 174 HE2 LYS 29 2HE LYS 29 15.066 5.839 4.630 175 HE3 LYS 29 1HE LYS 29 13.461 6.454 5.026 176 HZ1 LYS 29 3HZ LYS 29 14.881 4.207 6.356 177 HZ2 LYS 29 1HZ LYS 29 13.277 4.653 6.684 178 HZ3 LYS 29 2HZ LYS 29 14.541 5.731 7.017 179 H VAL 30 H VAL 30 12.431 3.386 0.430 180 HA VAL 30 HA VAL 30 14.110 5.667 0.438 181 HB VAL 30 HB VAL 30 13.846 3.479 -1.603 182 HG11 VAL 30 1HG1 VAL 30 16.117 4.106 -2.291 183 HG12 VAL 30 2HG1 VAL 30 16.075 5.466 -1.170 184 HG13 VAL 30 3HG1 VAL 30 14.970 5.422 -2.546 185 HG21 VAL 30 3HG2 VAL 30 14.345 2.727 0.677 186 HG22 VAL 30 1HG2 VAL 30 15.748 3.794 0.706 187 HG23 VAL 30 2HG2 VAL 30 15.695 2.443 -0.429 188 H TYR 31 H TYR 31 11.414 4.656 -1.482 189 HA TYR 31 HA TYR 31 11.490 6.625 -3.479 190 HB2 TYR 31 2HB TYR 31 10.088 4.665 -3.680 191 HB3 TYR 31 1HB TYR 31 9.193 5.108 -2.230 192 HD1 TYR 31 2HD TYR 31 9.858 6.073 -5.730 193 HD2 TYR 31 1HD TYR 31 7.355 6.579 -2.337 194 HE1 TYR 31 2HE TYR 31 8.246 7.298 -7.106 195 HE2 TYR 31 1HE TYR 31 5.734 7.805 -3.705 196 HH TYR 31 HH TYR 31 5.690 9.110 -5.801 197 H CYS 32 H CYS 32 10.116 6.516 -0.242 198 HA CYS 32 HA CYS 32 8.886 9.089 -0.373 199 HB2 CYS 32 2HB CYS 32 9.643 7.371 1.987 200 HB3 CYS 32 1HB CYS 32 8.693 8.846 2.099 201 HG CYS 32 HG CYS 32 6.490 7.562 1.939 202 H ALA 33 H ALA 33 12.067 7.982 0.361 203 HA ALA 33 HA ALA 33 12.884 10.410 1.665 204 HB1 ALA 33 1HB ALA 33 13.912 8.253 2.201 205 HB2 ALA 33 2HB ALA 33 15.110 9.415 1.627 206 HB3 ALA 33 3HB ALA 33 14.531 8.140 0.555 207 H LYS 34 H LYS 34 13.077 8.988 -1.530 208 HA LYS 34 HA LYS 34 14.811 10.983 -2.598 209 HB2 LYS 34 2HB LYS 34 14.774 8.670 -3.422 210 HB3 LYS 34 1HB LYS 34 13.123 8.893 -3.979 211 HG2 LYS 34 2HG LYS 34 13.819 10.454 -5.637 212 HG3 LYS 34 1HG LYS 34 15.459 10.492 -4.982 213 HD2 LYS 34 2HD LYS 34 15.754 8.139 -5.555 214 HD3 LYS 34 1HD LYS 34 14.108 8.074 -6.182 215 HE2 LYS 34 2HE LYS 34 14.643 9.558 -7.963 216 HE3 LYS 34 1HE LYS 34 16.212 9.941 -7.250 217 HZ1 LYS 34 3HZ LYS 34 15.430 7.244 -8.229 218 HZ2 LYS 34 1HZ LYS 34 16.957 7.724 -7.673 219 HZ3 LYS 34 2HZ LYS 34 16.350 8.359 -9.120 220 H ASN 35 H ASN 35 11.325 10.447 -2.631 221 HA ASN 35 HA ASN 35 10.967 12.845 -4.275 222 HB2 ASN 35 2HB ASN 35 9.000 10.809 -3.221 223 HB3 ASN 35 1HB ASN 35 8.528 12.239 -4.128 224 HD21 ASN 35 1HD2 ASN 35 10.154 9.169 -4.260 225 HD22 ASN 35 2HD2 ASN 35 10.175 9.026 -5.996 226 H ASN 36 H ASN 36 11.564 12.232 -1.177 227 HA ASN 36 HA ASN 36 11.117 13.141 0.851 228 HB2 ASN 36 2HB ASN 36 10.393 15.450 -0.939 229 HB3 ASN 36 1HB ASN 36 10.436 15.592 0.816 230 HD21 ASN 36 1HD2 ASN 36 12.476 15.488 1.866 231 HD22 ASN 36 2HD2 ASN 36 13.966 15.730 0.992 232 H LEU 37 H LEU 37 9.004 11.689 -0.603 233 HA LEU 37 HA LEU 37 6.484 12.827 0.139 234 HB2 LEU 37 2HB LEU 37 7.450 10.514 -1.308 235 HB3 LEU 37 1HB LEU 37 6.158 10.077 -0.204 236 HG LEU 37 HG LEU 37 4.681 11.719 -1.241 237 HD11 LEU 37 1HD1 LEU 37 6.381 13.344 -1.915 238 HD12 LEU 37 2HD1 LEU 37 5.326 12.898 -3.257 239 HD13 LEU 37 3HD1 LEU 37 6.954 12.225 -3.152 240 HD21 LEU 37 3HD2 LEU 37 4.707 9.443 -2.096 241 HD22 LEU 37 1HD2 LEU 37 6.006 9.865 -3.214 242 HD23 LEU 37 2HD2 LEU 37 4.411 10.596 -3.399 243 H GLN 38 H GLN 38 4.965 11.696 1.551 244 HA GLN 38 HA GLN 38 6.231 10.855 4.021 245 HB2 GLN 38 2HB GLN 38 3.328 11.301 3.315 246 HB3 GLN 38 1HB GLN 38 3.895 10.799 4.902 247 HG2 GLN 38 2HG GLN 38 5.187 12.865 5.089 248 HG3 GLN 38 1HG GLN 38 4.594 13.360 3.506 249 HE21 GLN 38 1HE2 GLN 38 3.717 12.808 6.840 250 HE22 GLN 38 2HE2 GLN 38 2.193 13.650 6.787 251 H LEU 39 H LEU 39 6.288 8.795 4.742 252 HA LEU 39 HA LEU 39 6.083 6.591 3.137 253 HB2 LEU 39 2HB LEU 39 6.480 7.066 5.878 254 HB3 LEU 39 1HB LEU 39 5.208 5.867 5.780 255 HG LEU 39 HG LEU 39 7.215 4.652 5.977 256 HD11 LEU 39 1HD1 LEU 39 7.427 3.464 3.847 257 HD12 LEU 39 2HD1 LEU 39 6.488 4.733 3.059 258 HD13 LEU 39 3HD1 LEU 39 5.744 3.728 4.299 259 HD21 LEU 39 3HD2 LEU 39 9.174 5.004 4.569 260 HD22 LEU 39 1HD2 LEU 39 8.773 6.456 5.487 261 HD23 LEU 39 2HD2 LEU 39 8.365 6.357 3.775 262 H THR 40 H THR 40 3.556 7.786 5.313 263 HA THR 40 HA THR 40 1.626 5.884 4.704 264 HB THR 40 HB THR 40 1.009 8.733 5.431 265 HG1 THR 40 1HG THR 40 1.242 7.789 7.667 266 HG21 THR 40 3HG2 THR 40 -0.906 7.276 4.983 267 HG22 THR 40 1HG2 THR 40 -0.827 7.718 6.690 268 HG23 THR 40 2HG2 THR 40 -0.302 6.118 6.168 269 H GLN 41 H GLN 41 2.094 9.144 3.351 270 HA GLN 41 HA GLN 41 -0.065 9.175 1.606 271 HB2 GLN 41 2HB GLN 41 1.478 11.080 2.175 272 HB3 GLN 41 1HB GLN 41 2.651 10.383 1.069 273 HG2 GLN 41 2HG GLN 41 1.033 10.616 -0.768 274 HG3 GLN 41 1HG GLN 41 -0.099 11.375 0.349 275 HE21 GLN 41 1HE2 GLN 41 2.841 11.749 -1.453 276 HE22 GLN 41 2HE2 GLN 41 2.999 13.459 -1.232 277 H ALA 42 H ALA 42 3.146 7.796 1.236 278 HA ALA 42 HA ALA 42 2.934 7.117 -1.515 279 HB1 ALA 42 1HB ALA 42 4.638 5.858 0.612 280 HB2 ALA 42 2HB ALA 42 5.061 7.295 -0.321 281 HB3 ALA 42 3HB ALA 42 4.872 5.737 -1.130 282 H ILE 43 H ILE 43 2.421 5.238 1.480 283 HA ILE 43 HA ILE 43 1.653 2.830 0.277 284 HB ILE 43 HB ILE 43 1.194 4.079 2.929 285 HG12 ILE 43 2HG1 ILE 43 1.958 1.824 3.680 286 HG13 ILE 43 1HG1 ILE 43 2.076 1.348 1.991 287 HG21 ILE 43 1HG2 ILE 43 -0.491 1.758 2.010 288 HG22 ILE 43 2HG2 ILE 43 -1.067 3.401 2.332 289 HG23 ILE 43 3HG2 ILE 43 -0.416 2.414 3.649 290 HD11 ILE 43 3HD1 ILE 43 3.660 3.494 3.377 291 HD12 ILE 43 1HD1 ILE 43 3.732 3.148 1.647 292 HD13 ILE 43 2HD1 ILE 43 4.247 1.929 2.813 293 H GLU 44 H GLU 44 -0.285 5.635 1.183 294 HA GLU 44 HA GLU 44 -2.786 4.578 0.448 295 HB2 GLU 44 2HB GLU 44 -1.873 7.459 0.523 296 HB3 GLU 44 1HB GLU 44 -3.546 6.932 0.425 297 HG2 GLU 44 2HG GLU 44 -3.339 5.856 2.598 298 HG3 GLU 44 1HG GLU 44 -1.659 6.361 2.696 299 H GLU 45 H GLU 45 -0.491 6.574 -1.393 300 HA GLU 45 HA GLU 45 -1.940 6.617 -3.805 301 HB2 GLU 45 2HB GLU 45 1.024 6.752 -3.236 302 HB3 GLU 45 1HB GLU 45 0.353 6.945 -4.848 303 HG2 GLU 45 2HG GLU 45 -0.459 8.681 -2.542 304 HG3 GLU 45 1HG GLU 45 0.915 9.055 -3.580 305 H ALA 46 H ALA 46 0.324 4.321 -2.409 306 HA ALA 46 HA ALA 46 0.680 2.671 -4.649 307 HB1 ALA 46 1HB ALA 46 0.759 1.875 -1.736 308 HB2 ALA 46 2HB ALA 46 2.094 2.610 -2.624 309 HB3 ALA 46 3HB ALA 46 1.503 1.012 -3.087 310 H ILE 47 H ILE 47 -1.463 2.305 -1.852 311 HA ILE 47 HA ILE 47 -2.731 0.011 -2.848 312 HB ILE 47 HB ILE 47 -2.530 0.545 -0.470 313 HG12 ILE 47 2HG1 ILE 47 -5.421 0.388 -1.304 314 HG13 ILE 47 1HG1 ILE 47 -4.312 -0.978 -1.323 315 HG21 ILE 47 1HG2 ILE 47 -2.815 2.912 -0.473 316 HG22 ILE 47 2HG2 ILE 47 -4.073 2.195 0.538 317 HG23 ILE 47 3HG2 ILE 47 -4.461 2.754 -1.091 318 HD11 ILE 47 3HD1 ILE 47 -5.586 -1.118 0.661 319 HD12 ILE 47 1HD1 ILE 47 -5.264 0.573 1.062 320 HD13 ILE 47 2HD1 ILE 47 -3.959 -0.611 1.116 321 H LYS 48 H LYS 48 -3.257 3.401 -3.300 322 HA LYS 48 HA LYS 48 -5.959 3.228 -4.191 323 HB2 LYS 48 2HB LYS 48 -5.021 5.336 -3.411 324 HB3 LYS 48 1HB LYS 48 -3.807 5.295 -4.675 325 HG2 LYS 48 2HG LYS 48 -5.328 6.817 -5.493 326 HG3 LYS 48 1HG LYS 48 -5.816 5.328 -6.296 327 HD2 LYS 48 2HD LYS 48 -7.083 6.267 -3.734 328 HD3 LYS 48 1HD LYS 48 -7.660 6.786 -5.318 329 HE2 LYS 48 2HE LYS 48 -7.904 4.350 -5.900 330 HE3 LYS 48 1HE LYS 48 -7.583 3.988 -4.204 331 HZ1 LYS 48 3HZ LYS 48 -9.792 5.712 -5.190 332 HZ2 LYS 48 1HZ LYS 48 -9.518 5.264 -3.578 333 HZ3 LYS 48 2HZ LYS 48 -9.967 4.093 -4.719 334 H GLU 49 H GLU 49 -2.949 3.875 -6.018 335 HA GLU 49 HA GLU 49 -3.901 3.343 -8.548 336 HB2 GLU 49 2HB GLU 49 -1.244 3.391 -7.243 337 HB3 GLU 49 1HB GLU 49 -1.338 2.578 -8.799 338 HG2 GLU 49 2HG GLU 49 -0.680 4.907 -9.051 339 HG3 GLU 49 1HG GLU 49 -2.228 4.577 -9.812 340 H TYR 50 H TYR 50 -3.266 1.165 -6.013 341 HA TYR 50 HA TYR 50 -2.665 -1.121 -7.542 342 HB2 TYR 50 2HB TYR 50 -1.989 -0.997 -5.238 343 HB3 TYR 50 1HB TYR 50 -3.655 -0.770 -4.717 344 HD1 TYR 50 1HD TYR 50 -1.627 -3.195 -6.665 345 HD2 TYR 50 2HD TYR 50 -4.725 -2.565 -3.845 346 HE1 TYR 50 1HE TYR 50 -1.819 -5.624 -6.370 347 HE2 TYR 50 2HE TYR 50 -4.950 -5.005 -3.525 348 HH TYR 50 HH TYR 50 -4.434 -7.090 -4.922 349 H LEU 51 H LEU 51 -5.595 -0.048 -5.849 350 HA LEU 51 HA LEU 51 -7.252 -2.117 -6.713 351 HB2 LEU 51 2HB LEU 51 -7.725 0.631 -5.711 352 HB3 LEU 51 1HB LEU 51 -9.050 -0.169 -6.525 353 HG LEU 51 HG LEU 51 -9.576 -0.979 -4.525 354 HD11 LEU 51 1HD1 LEU 51 -8.690 -2.992 -5.539 355 HD12 LEU 51 2HD1 LEU 51 -8.443 -3.005 -3.792 356 HD13 LEU 51 3HD1 LEU 51 -7.095 -2.643 -4.872 357 HD21 LEU 51 3HD2 LEU 51 -6.787 -0.267 -3.654 358 HD22 LEU 51 1HD2 LEU 51 -8.002 -0.959 -2.573 359 HD23 LEU 51 2HD2 LEU 51 -8.280 0.615 -3.325 360 H GLN 52 H GLN 52 -6.356 0.893 -8.286 361 HA GLN 52 HA GLN 52 -8.280 0.507 -10.393 362 HB2 GLN 52 2HB GLN 52 -6.072 2.487 -9.958 363 HB3 GLN 52 1HB GLN 52 -6.841 2.357 -11.532 364 HG2 GLN 52 2HG GLN 52 -8.028 4.050 -10.519 365 HG3 GLN 52 1HG GLN 52 -9.050 2.642 -10.244 366 HE21 GLN 52 1HE2 GLN 52 -7.046 5.050 -8.829 367 HE22 GLN 52 2HE2 GLN 52 -7.413 4.685 -7.181 368 H LYS 53 H LYS 53 -4.863 -0.154 -9.971 369 HA LYS 53 HA LYS 53 -4.364 -0.930 -12.661 370 HB2 LYS 53 2HB LYS 53 -2.582 -0.281 -11.096 371 HB3 LYS 53 1HB LYS 53 -2.923 -1.708 -10.131 372 HG2 LYS 53 2HG LYS 53 -2.325 -3.127 -12.034 373 HG3 LYS 53 1HG LYS 53 -1.938 -1.683 -12.970 374 HD2 LYS 53 2HD LYS 53 -0.164 -1.114 -11.435 375 HD3 LYS 53 1HD LYS 53 -0.614 -2.453 -10.371 376 HE2 LYS 53 2HE LYS 53 1.345 -2.979 -11.766 377 HE3 LYS 53 1HE LYS 53 -0.013 -4.056 -12.084 378 HZ1 LYS 53 3HZ LYS 53 0.731 -1.703 -13.736 379 HZ2 LYS 53 1HZ LYS 53 -0.532 -2.783 -14.061 380 HZ3 LYS 53 2HZ LYS 53 1.075 -3.315 -14.124 381 H ARG 54 H ARG 54 -5.902 -2.410 -10.025 382 HA ARG 54 HA ARG 54 -5.353 -5.084 -11.038 383 HB2 ARG 54 2HB ARG 54 -5.123 -4.146 -8.540 384 HB3 ARG 54 1HB ARG 54 -6.805 -4.641 -8.485 385 HG2 ARG 54 2HG ARG 54 -5.639 -6.501 -7.691 386 HG3 ARG 54 1HG ARG 54 -5.960 -6.893 -9.382 387 HD2 ARG 54 2HD ARG 54 -3.757 -6.520 -10.022 388 HD3 ARG 54 1HD ARG 54 -3.409 -5.541 -8.609 389 HE ARG 54 HE ARG 54 -4.009 -8.355 -8.135 390 HH11 ARG 54 1HH1 ARG 54 -1.512 -5.952 -8.658 391 HH12 ARG 54 2HH1 ARG 54 -0.288 -6.825 -7.779 392 HH21 ARG 54 1HH2 ARG 54 -2.410 -9.510 -6.979 393 HH22 ARG 54 2HH2 ARG 54 -0.809 -8.853 -6.814 394 H ASN 55 H ASN 55 -8.107 -3.414 -9.491 395 HA ASN 55 HA ASN 55 -9.895 -3.858 -11.593 396 HB2 ASN 55 2HB ASN 55 -11.355 -5.573 -10.256 397 HB3 ASN 55 1HB ASN 55 -10.043 -6.147 -11.272 398 HD21 ASN 55 1HD2 ASN 55 -9.878 -8.056 -10.100 399 HD22 ASN 55 2HD2 ASN 55 -9.173 -8.101 -8.518 400 H GLY 56 H GLY 56 -10.137 -4.135 -8.040 401 HA2 GLY 56 2HA GLY 56 -11.293 -2.861 -6.516 402 HA3 GLY 56 1HA GLY 56 -11.345 -1.577 -7.720 403 H LYS 11 H LYS 11 8.715 -11.630 3.473 404 HA LYS 11 HA LYS 11 10.478 -14.004 3.401 405 HB2 LYS 11 2HB LYS 11 11.084 -11.133 2.648 406 HB3 LYS 11 1HB LYS 11 12.208 -12.483 2.589 407 HG2 LYS 11 2HG LYS 11 10.854 -13.528 0.838 408 HG3 LYS 11 1HG LYS 11 9.736 -12.166 0.897 409 HD2 LYS 11 2HD LYS 11 12.670 -11.983 0.198 410 HD3 LYS 11 1HD LYS 11 11.345 -11.997 -0.968 411 HE2 LYS 11 2HE LYS 11 10.459 -9.934 0.030 412 HE3 LYS 11 1HE LYS 11 11.795 -9.923 1.181 413 HZ1 LYS 11 2HZ LYS 11 12.219 -8.438 -0.689 414 HZ2 LYS 11 3HZ LYS 11 12.059 -9.728 -1.777 415 HZ3 LYS 11 1HZ LYS 11 13.342 -9.709 -0.664 416 H GLN 12 H GLN 12 11.190 -10.701 4.282 417 HA GLN 12 HA GLN 12 11.432 -11.553 7.083 418 HB2 GLN 12 2HB GLN 12 13.098 -9.748 7.354 419 HB3 GLN 12 1HB GLN 12 13.614 -10.978 6.212 420 HG2 GLN 12 2HG GLN 12 12.928 -9.484 4.362 421 HG3 GLN 12 1HG GLN 12 12.538 -8.245 5.553 422 HE21 GLN 12 1HE2 GLN 12 14.817 -9.061 7.254 423 HE22 GLN 12 2HE2 GLN 12 16.228 -8.420 6.476 424 H LYS 13 H LYS 13 10.112 -10.603 8.468 425 HA LYS 13 HA LYS 13 8.244 -8.717 7.235 426 HB2 LYS 13 2HB LYS 13 6.646 -9.334 8.969 427 HB3 LYS 13 1HB LYS 13 7.214 -10.745 8.101 428 HG2 LYS 13 2HG LYS 13 8.631 -11.364 9.938 429 HG3 LYS 13 1HG LYS 13 8.265 -9.855 10.782 430 HD2 LYS 13 2HD LYS 13 5.892 -10.519 10.890 431 HD3 LYS 13 1HD LYS 13 6.296 -12.042 10.101 432 HE2 LYS 13 2HE LYS 13 7.318 -11.107 12.786 433 HE3 LYS 13 1HE LYS 13 6.073 -12.324 12.513 434 HZ1 LYS 13 3HZ LYS 13 8.953 -12.503 11.824 435 HZ2 LYS 13 1HZ LYS 13 7.790 -13.608 11.268 436 HZ3 LYS 13 2HZ LYS 13 8.085 -13.457 12.926 437 H ALA 14 H ALA 14 7.546 -6.881 8.091 438 HA ALA 14 HA ALA 14 8.831 -5.845 10.522 439 HB1 ALA 14 1HB ALA 14 8.474 -4.367 7.912 440 HB2 ALA 14 2HB ALA 14 10.008 -4.902 8.605 441 HB3 ALA 14 3HB ALA 14 9.060 -3.660 9.420 442 H VAL 15 H VAL 15 7.554 -3.707 11.121 443 HA VAL 15 HA VAL 15 4.691 -4.291 10.713 444 HB VAL 15 HB VAL 15 5.622 -2.651 13.017 445 HG11 VAL 15 1HG1 VAL 15 3.629 -3.564 14.091 446 HG12 VAL 15 2HG1 VAL 15 3.314 -4.544 12.659 447 HG13 VAL 15 3HG1 VAL 15 3.248 -2.786 12.554 448 HG21 VAL 15 3HG2 VAL 15 5.611 -5.664 13.010 449 HG22 VAL 15 1HG2 VAL 15 5.830 -4.638 14.429 450 HG23 VAL 15 2HG2 VAL 15 7.033 -4.626 13.141 451 H PHE 16 H PHE 16 3.283 -2.392 10.773 452 HA PHE 16 HA PHE 16 4.545 0.150 10.126 453 HB2 PHE 16 2HB PHE 16 4.222 -1.392 8.024 454 HB3 PHE 16 1HB PHE 16 2.533 -0.931 8.182 455 HD1 PHE 16 2HD PHE 16 5.607 1.076 8.730 456 HD2 PHE 16 1HD PHE 16 2.110 0.470 6.383 457 HE1 PHE 16 2HE PHE 16 6.092 3.140 7.482 458 HE2 PHE 16 1HE PHE 16 2.596 2.529 5.124 459 HZ PHE 16 HZ PHE 16 4.581 3.865 5.680 460 H GLY 17 H GLY 17 3.428 1.662 11.186 461 HA2 GLY 17 2HA GLY 17 0.532 1.225 11.590 462 HA3 GLY 17 1HA GLY 17 1.571 1.809 12.884 463 H ILE 18 H ILE 18 -0.148 2.621 10.004 464 HA ILE 18 HA ILE 18 0.770 5.410 10.248 465 HB ILE 18 HB ILE 18 0.387 5.632 7.804 466 HG12 ILE 18 2HG1 ILE 18 0.326 2.610 7.781 467 HG13 ILE 18 1HG1 ILE 18 -1.132 3.594 7.690 468 HG21 ILE 18 1HG2 ILE 18 2.403 3.587 8.698 469 HG22 ILE 18 2HG2 ILE 18 2.615 5.339 8.683 470 HG23 ILE 18 3HG2 ILE 18 2.458 4.455 7.163 471 HD11 ILE 18 3HD1 ILE 18 -0.412 2.840 5.497 472 HD12 ILE 18 1HD1 ILE 18 1.151 3.617 5.735 473 HD13 ILE 18 2HD1 ILE 18 -0.311 4.595 5.625 474 H TYR 19 H TYR 19 -0.761 6.990 9.259 475 HA TYR 19 HA TYR 19 -3.528 6.184 9.826 476 HB2 TYR 19 2HB TYR 19 -2.313 8.957 9.785 477 HB3 TYR 19 1HB TYR 19 -3.995 8.587 10.136 478 HD1 TYR 19 1HD TYR 19 -4.312 6.822 12.112 479 HD2 TYR 19 2HD TYR 19 -0.891 9.292 11.556 480 HE1 TYR 19 1HE TYR 19 -3.773 6.609 14.501 481 HE2 TYR 19 2HE TYR 19 -0.335 9.075 13.940 482 HH TYR 19 HH TYR 19 -1.444 8.571 16.044 483 H MET 20 H MET 20 -4.148 5.414 7.878 484 HA MET 20 HA MET 20 -3.829 7.150 5.515 485 HB2 MET 20 2HB MET 20 -4.187 5.147 4.155 486 HB3 MET 20 1HB MET 20 -2.851 4.902 5.269 487 HG2 MET 20 2HG MET 20 -4.448 3.699 6.776 488 HG3 MET 20 1HG MET 20 -5.644 3.795 5.479 489 HE1 MET 20 3HE MET 20 -3.950 1.673 2.649 490 HE2 MET 20 1HE MET 20 -4.053 3.417 2.881 491 HE3 MET 20 2HE MET 20 -5.470 2.403 3.176 492 H ASP 21 H ASP 21 -5.699 7.255 4.003 493 HA ASP 21 HA ASP 21 -8.024 7.999 5.345 494 HB2 ASP 21 2HB ASP 21 -7.427 7.478 2.451 495 HB3 ASP 21 1HB ASP 21 -9.093 7.664 2.983 496 H LYS 22 H LYS 22 -10.126 7.097 5.302 497 HA LYS 22 HA LYS 22 -10.074 4.289 5.902 498 HB2 LYS 22 2HB LYS 22 -11.408 5.756 7.298 499 HB3 LYS 22 1HB LYS 22 -12.297 6.341 5.897 500 HG2 LYS 22 2HG LYS 22 -13.126 4.012 5.556 501 HG3 LYS 22 1HG LYS 22 -12.396 3.598 7.112 502 HD2 LYS 22 2HD LYS 22 -13.786 5.268 8.217 503 HD3 LYS 22 1HD LYS 22 -14.495 5.721 6.665 504 HE2 LYS 22 2HE LYS 22 -15.268 3.335 6.450 505 HE3 LYS 22 1HE LYS 22 -14.758 3.100 8.122 506 HZ1 LYS 22 3HZ LYS 22 -16.807 5.022 7.159 507 HZ2 LYS 22 1HZ LYS 22 -16.278 4.893 8.766 508 HZ3 LYS 22 2HZ LYS 22 -17.093 3.599 8.036 509 H ASP 23 H ASP 23 -12.041 6.299 3.773 510 HA ASP 23 HA ASP 23 -13.442 4.400 2.419 511 HB2 ASP 23 2HB ASP 23 -14.040 6.639 2.082 512 HB3 ASP 23 1HB ASP 23 -12.407 7.105 1.638 513 H LEU 24 H LEU 24 -10.141 5.389 1.809 514 HA LEU 24 HA LEU 24 -9.871 3.962 -0.654 515 HB2 LEU 24 2HB LEU 24 -8.636 5.961 -0.381 516 HB3 LEU 24 1HB LEU 24 -8.071 5.478 1.202 517 HG LEU 24 HG LEU 24 -6.431 5.541 -0.793 518 HD11 LEU 24 1HD1 LEU 24 -5.950 4.793 1.463 519 HD12 LEU 24 2HD1 LEU 24 -5.138 3.774 0.271 520 HD13 LEU 24 3HD1 LEU 24 -6.598 3.198 1.087 521 HD21 LEU 24 3HD2 LEU 24 -7.603 2.787 -1.186 522 HD22 LEU 24 1HD2 LEU 24 -6.213 3.475 -2.030 523 HD23 LEU 24 2HD2 LEU 24 -7.826 4.143 -2.290 524 H LYS 25 H LYS 25 -8.524 3.533 2.642 525 HA LYS 25 HA LYS 25 -7.327 1.034 2.211 526 HB2 LYS 25 2HB LYS 25 -7.016 2.579 4.185 527 HB3 LYS 25 1HB LYS 25 -8.575 2.029 4.782 528 HG2 LYS 25 2HG LYS 25 -7.661 -0.292 4.784 529 HG3 LYS 25 1HG LYS 25 -6.081 0.403 4.404 530 HD2 LYS 25 2HD LYS 25 -5.948 0.304 6.691 531 HD3 LYS 25 1HD LYS 25 -6.611 1.928 6.473 532 HE2 LYS 25 2HE LYS 25 -8.222 -0.559 7.054 533 HE3 LYS 25 1HE LYS 25 -7.761 0.652 8.249 534 HZ1 LYS 25 3HZ LYS 25 -9.996 1.053 7.548 535 HZ2 LYS 25 1HZ LYS 25 -9.550 1.043 5.915 536 HZ3 LYS 25 2HZ LYS 25 -9.024 2.289 6.923 537 H THR 26 H THR 26 -10.563 2.030 2.949 538 HA THR 26 HA THR 26 -11.566 -0.543 3.707 539 HB THR 26 HB THR 26 -12.896 2.096 3.094 540 HG1 THR 26 1HG THR 26 -13.030 0.772 5.562 541 HG21 THR 26 3HG2 THR 26 -14.471 0.329 2.468 542 HG22 THR 26 1HG2 THR 26 -14.990 1.123 3.955 543 HG23 THR 26 2HG2 THR 26 -14.221 -0.464 4.023 544 H ARG 27 H ARG 27 -11.505 1.357 0.765 545 HA ARG 27 HA ARG 27 -13.063 -0.250 -0.894 546 HB2 ARG 27 2HB ARG 27 -12.321 1.768 -1.831 547 HB3 ARG 27 1HB ARG 27 -10.661 1.499 -1.331 548 HG2 ARG 27 2HG ARG 27 -10.767 1.282 -3.690 549 HG3 ARG 27 1HG ARG 27 -10.502 -0.319 -2.993 550 HD2 ARG 27 2HD ARG 27 -12.128 -0.502 -4.763 551 HD3 ARG 27 1HD ARG 27 -12.940 -0.760 -3.219 552 HE ARG 27 HE ARG 27 -13.219 1.929 -3.769 553 HH11 ARG 27 1HH1 ARG 27 -14.109 -1.058 -5.380 554 HH12 ARG 27 2HH1 ARG 27 -15.515 -0.374 -6.122 555 HH21 ARG 27 1HH2 ARG 27 -15.060 2.814 -4.729 556 HH22 ARG 27 2HH2 ARG 27 -16.073 1.828 -5.743 557 H LEU 28 H LEU 28 -9.587 -0.386 -0.281 558 HA LEU 28 HA LEU 28 -9.037 -2.790 -1.595 559 HB2 LEU 28 2HB LEU 28 -7.413 -1.090 -0.816 560 HB3 LEU 28 1HB LEU 28 -7.665 -1.630 0.828 561 HG LEU 28 HG LEU 28 -5.570 -2.402 -0.367 562 HD11 LEU 28 1HD1 LEU 28 -7.366 -4.515 0.783 563 HD12 LEU 28 2HD1 LEU 28 -6.460 -3.330 1.722 564 HD13 LEU 28 3HD1 LEU 28 -5.599 -4.524 0.742 565 HD21 LEU 28 3HD2 LEU 28 -7.552 -4.240 -1.704 566 HD22 LEU 28 1HD2 LEU 28 -5.794 -4.378 -1.780 567 HD23 LEU 28 2HD2 LEU 28 -6.602 -2.982 -2.495 568 H LYS 29 H LYS 29 -10.108 -2.166 1.725 569 HA LYS 29 HA LYS 29 -9.866 -4.716 2.795 570 HB2 LYS 29 2HB LYS 29 -10.465 -2.769 4.133 571 HB3 LYS 29 1HB LYS 29 -12.005 -2.640 3.299 572 HG2 LYS 29 2HG LYS 29 -11.329 -5.123 4.819 573 HG3 LYS 29 1HG LYS 29 -11.889 -3.683 5.668 574 HD2 LYS 29 2HD LYS 29 -13.934 -3.667 4.388 575 HD3 LYS 29 1HD LYS 29 -13.360 -5.005 3.389 576 HE2 LYS 29 2HE LYS 29 -14.918 -5.831 5.041 577 HE3 LYS 29 1HE LYS 29 -13.301 -6.440 5.393 578 HZ1 LYS 29 3HZ LYS 29 -14.714 -4.222 6.770 579 HZ2 LYS 29 1HZ LYS 29 -13.086 -4.620 7.040 580 HZ3 LYS 29 2HZ LYS 29 -14.304 -5.734 7.414 581 H VAL 30 H VAL 30 -12.398 -3.379 0.766 582 HA VAL 30 HA VAL 30 -14.079 -5.658 0.825 583 HB VAL 30 HB VAL 30 -13.872 -3.470 -1.223 584 HG11 VAL 30 1HG1 VAL 30 -16.159 -4.101 -1.852 585 HG12 VAL 30 2HG1 VAL 30 -16.084 -5.460 -0.730 586 HG13 VAL 30 3HG1 VAL 30 -15.017 -5.416 -2.135 587 HG21 VAL 30 3HG2 VAL 30 -14.312 -2.719 1.069 588 HG22 VAL 30 1HG2 VAL 30 -15.714 -3.787 1.136 589 HG23 VAL 30 2HG2 VAL 30 -15.692 -2.435 -0.000 590 H TYR 31 H TYR 31 -11.442 -4.644 -1.173 591 HA TYR 31 HA TYR 31 -11.569 -6.617 -3.161 592 HB2 TYR 31 2HB TYR 31 -10.173 -4.663 -3.407 593 HB3 TYR 31 1HB TYR 31 -9.238 -5.100 -1.980 594 HD1 TYR 31 2HD TYR 31 -9.997 -6.071 -5.456 595 HD2 TYR 31 1HD TYR 31 -7.403 -6.577 -2.133 596 HE1 TYR 31 2HE TYR 31 -8.421 -7.288 -6.879 597 HE2 TYR 31 1HE TYR 31 -5.814 -7.795 -3.547 598 HH TYR 31 HH TYR 31 -5.818 -9.098 -5.665 599 H CYS 32 H CYS 32 -10.103 -6.506 0.036 600 HA CYS 32 HA CYS 32 -8.876 -9.077 -0.128 601 HB2 CYS 32 2HB CYS 32 -9.570 -7.357 2.250 602 HB3 CYS 32 1HB CYS 32 -8.617 -8.832 2.339 603 HG CYS 32 HG CYS 32 -6.422 -7.539 2.124 604 H ALA 33 H ALA 33 -12.035 -7.968 0.692 605 HA ALA 33 HA ALA 33 -12.820 -10.398 2.018 606 HB1 ALA 33 1HB ALA 33 -13.837 -8.241 2.584 607 HB2 ALA 33 2HB ALA 33 -15.048 -9.404 2.041 608 HB3 ALA 33 3HB ALA 33 -14.499 -8.126 0.953 609 H LYS 34 H LYS 34 -13.103 -8.976 -1.168 610 HA LYS 34 HA LYS 34 -14.858 -10.974 -2.186 611 HB2 LYS 34 2HB LYS 34 -14.844 -8.661 -3.013 612 HB3 LYS 34 1HB LYS 34 -13.209 -8.887 -3.616 613 HG2 LYS 34 2HG LYS 34 -13.950 -10.447 -5.250 614 HG3 LYS 34 1HG LYS 34 -15.569 -10.491 -4.550 615 HD2 LYS 34 2HD LYS 34 -15.890 -8.139 -5.115 616 HD3 LYS 34 1HD LYS 34 -14.261 -8.071 -5.791 617 HE2 LYS 34 2HE LYS 34 -14.845 -9.563 -7.547 618 HE3 LYS 34 1HE LYS 34 -16.392 -9.945 -6.791 619 HZ1 LYS 34 3HZ LYS 34 -15.643 -7.252 -7.800 620 HZ2 LYS 34 1HZ LYS 34 -17.155 -7.733 -7.208 621 HZ3 LYS 34 2HZ LYS 34 -16.575 -8.373 -8.663 622 H ASN 35 H ASN 35 -11.375 -10.429 -2.318 623 HA ASN 35 HA ASN 35 -11.061 -12.834 -3.962 624 HB2 ASN 35 2HB ASN 35 -9.065 -10.794 -2.975 625 HB3 ASN 35 1HB ASN 35 -8.620 -12.229 -3.886 626 HD21 ASN 35 1HD2 ASN 35 -10.250 -9.156 -3.993 627 HD22 ASN 35 2HD2 ASN 35 -10.298 -9.022 -5.723 628 H ASN 36 H ASN 36 -11.571 -12.220 -0.851 629 HA ASN 36 HA ASN 36 -11.068 -13.133 1.166 630 HB2 ASN 36 2HB ASN 36 -10.397 -15.443 -0.642 631 HB3 ASN 36 1HB ASN 36 -10.387 -15.584 1.112 632 HD21 ASN 36 1HD2 ASN 36 -12.409 -15.479 2.226 633 HD22 ASN 36 2HD2 ASN 36 -13.919 -15.703 1.386 634 H LEU 37 H LEU 37 -8.991 -11.684 -0.355 635 HA LEU 37 HA LEU 37 -6.455 -12.813 0.328 636 HB2 LEU 37 2HB LEU 37 -7.462 -10.504 -1.094 637 HB3 LEU 37 1HB LEU 37 -6.143 -10.064 -0.025 638 HG LEU 37 HG LEU 37 -4.691 -11.706 -1.103 639 HD11 LEU 37 1HD1 LEU 37 -6.417 -13.328 -1.730 640 HD12 LEU 37 2HD1 LEU 37 -5.397 -12.887 -3.100 641 HD13 LEU 37 3HD1 LEU 37 -7.018 -12.207 -2.952 642 HD21 LEU 37 3HD2 LEU 37 -4.743 -9.430 -1.953 643 HD22 LEU 37 1HD2 LEU 37 -6.070 -9.851 -3.037 644 HD23 LEU 37 2HD2 LEU 37 -4.480 -10.581 -3.264 645 H GLN 38 H GLN 38 -4.901 -11.674 1.698 646 HA GLN 38 HA GLN 38 -6.104 -10.838 4.201 647 HB2 GLN 38 2HB GLN 38 -3.223 -11.279 3.416 648 HB3 GLN 38 1HB GLN 38 -3.748 -10.780 5.018 649 HG2 GLN 38 2HG GLN 38 -5.027 -12.850 5.238 650 HG3 GLN 38 1HG GLN 38 -4.479 -13.341 3.638 651 HE21 GLN 38 1HE2 GLN 38 -3.512 -12.799 6.951 652 HE22 GLN 38 2HE2 GLN 38 -1.999 -13.644 6.863 653 H LEU 39 H LEU 39 -6.151 -8.773 4.914 654 HA LEU 39 HA LEU 39 -5.978 -6.571 3.307 655 HB2 LEU 39 2HB LEU 39 -6.303 -7.044 6.054 656 HB3 LEU 39 1HB LEU 39 -5.033 -5.845 5.925 657 HG LEU 39 HG LEU 39 -7.032 -4.627 6.171 658 HD11 LEU 39 1HD1 LEU 39 -7.305 -3.446 4.044 659 HD12 LEU 39 2HD1 LEU 39 -6.387 -4.716 3.234 660 HD13 LEU 39 3HD1 LEU 39 -5.609 -3.706 4.451 661 HD21 LEU 39 3HD2 LEU 39 -9.032 -4.990 4.820 662 HD22 LEU 39 1HD2 LEU 39 -8.601 -6.438 5.733 663 HD23 LEU 39 2HD2 LEU 39 -8.240 -6.343 4.008 664 H THR 40 H THR 40 -3.393 -7.764 5.413 665 HA THR 40 HA THR 40 -1.479 -5.861 4.749 666 HB THR 40 HB THR 40 -0.845 -8.709 5.463 667 HG1 THR 40 1HG THR 40 -1.011 -7.768 7.701 668 HG21 THR 40 3HG2 THR 40 1.058 -7.251 4.957 669 HG22 THR 40 1HG2 THR 40 1.032 -7.696 6.664 670 HG23 THR 40 2HG2 THR 40 0.489 -6.094 6.162 671 H GLN 41 H GLN 41 -1.986 -9.121 3.411 672 HA GLN 41 HA GLN 41 0.125 -9.155 1.608 673 HB2 GLN 41 2HB GLN 41 -1.400 -11.057 2.223 674 HB3 GLN 41 1HB GLN 41 -2.605 -10.362 1.149 675 HG2 GLN 41 2HG GLN 41 -1.037 -10.597 -0.733 676 HG3 GLN 41 1HG GLN 41 0.123 -11.358 0.358 677 HE21 GLN 41 1HE2 GLN 41 -2.858 -11.725 -1.361 678 HE22 GLN 41 2HE2 GLN 41 -3.030 -13.435 -1.124 679 H ALA 42 H ALA 42 -3.096 -7.776 1.325 680 HA ALA 42 HA ALA 42 -2.958 -7.101 -1.432 681 HB1 ALA 42 1HB ALA 42 -4.603 -5.838 0.739 682 HB2 ALA 42 2HB ALA 42 -5.054 -7.276 -0.177 683 HB3 ALA 42 3HB ALA 42 -4.887 -5.721 -0.997 684 H ILE 43 H ILE 43 -2.365 -5.219 1.541 685 HA ILE 43 HA ILE 43 -1.629 -2.811 0.322 686 HB ILE 43 HB ILE 43 -1.101 -4.059 2.964 687 HG12 ILE 43 2HG1 ILE 43 -1.846 -1.800 3.729 688 HG13 ILE 43 1HG1 ILE 43 -2.010 -1.329 2.044 689 HG21 ILE 43 1HG2 ILE 43 0.554 -1.733 1.994 690 HG22 ILE 43 2HG2 ILE 43 1.143 -3.374 2.303 691 HG23 ILE 43 3HG2 ILE 43 0.525 -2.388 3.636 692 HD11 ILE 43 3HD1 ILE 43 -3.558 -3.469 3.477 693 HD12 ILE 43 1HD1 ILE 43 -3.672 -3.127 1.748 694 HD13 ILE 43 2HD1 ILE 43 -4.156 -1.905 2.923 695 H GLU 44 H GLU 44 0.332 -5.616 1.178 696 HA GLU 44 HA GLU 44 2.810 -4.556 0.373 697 HB2 GLU 44 2HB GLU 44 1.900 -7.437 0.477 698 HB3 GLU 44 1HB GLU 44 3.570 -6.911 0.332 699 HG2 GLU 44 2HG GLU 44 3.422 -5.828 2.507 700 HG3 GLU 44 1HG GLU 44 1.745 -6.336 2.650 701 H GLU 45 H GLU 45 0.466 -6.558 -1.402 702 HA GLU 45 HA GLU 45 1.852 -6.603 -3.853 703 HB2 GLU 45 2HB GLU 45 -1.097 -6.736 -3.206 704 HB3 GLU 45 1HB GLU 45 -0.466 -6.936 -4.833 705 HG2 GLU 45 2HG GLU 45 0.404 -8.665 -2.542 706 HG3 GLU 45 1HG GLU 45 -1.001 -9.037 -3.537 707 H ALA 46 H ALA 46 -0.379 -4.308 -2.402 708 HA ALA 46 HA ALA 46 -0.795 -2.659 -4.633 709 HB1 ALA 46 1HB ALA 46 -0.792 -1.851 -1.721 710 HB2 ALA 46 2HB ALA 46 -2.150 -2.598 -2.563 711 HB3 ALA 46 3HB ALA 46 -1.581 -1.000 -3.054 712 H ILE 47 H ILE 47 1.419 -2.284 -1.893 713 HA ILE 47 HA ILE 47 2.666 0.005 -2.926 714 HB ILE 47 HB ILE 47 2.526 -0.526 -0.543 715 HG12 ILE 47 2HG1 ILE 47 5.393 -0.364 -1.455 716 HG13 ILE 47 1HG1 ILE 47 4.279 0.999 -1.440 717 HG21 ILE 47 1HG2 ILE 47 2.816 -2.895 -0.544 718 HG22 ILE 47 2HG2 ILE 47 4.104 -2.173 0.425 719 HG23 ILE 47 3HG2 ILE 47 4.442 -2.735 -1.213 720 HD11 ILE 47 3HD1 ILE 47 5.611 1.138 0.503 721 HD12 ILE 47 1HD1 ILE 47 5.300 -0.551 0.919 722 HD13 ILE 47 2HD1 ILE 47 3.996 0.635 1.006 723 H LYS 48 H LYS 48 3.181 -3.385 -3.387 724 HA LYS 48 HA LYS 48 5.854 -3.212 -4.350 725 HB2 LYS 48 2HB LYS 48 4.937 -5.320 -3.546 726 HB3 LYS 48 1HB LYS 48 3.688 -5.278 -4.776 727 HG2 LYS 48 2HG LYS 48 5.187 -6.802 -5.632 728 HG3 LYS 48 1HG LYS 48 5.651 -5.315 -6.453 729 HD2 LYS 48 2HD LYS 48 6.993 -6.246 -3.926 730 HD3 LYS 48 1HD LYS 48 7.525 -6.769 -5.523 731 HE2 LYS 48 2HE LYS 48 7.754 -4.333 -6.118 732 HE3 LYS 48 1HE LYS 48 7.481 -3.970 -4.414 733 HZ1 LYS 48 3HZ LYS 48 9.669 -5.689 -5.461 734 HZ2 LYS 48 1HZ LYS 48 9.436 -5.239 -3.846 735 HZ3 LYS 48 2HZ LYS 48 9.845 -4.070 -5.000 736 H GLU 49 H GLU 49 2.795 -3.855 -6.092 737 HA GLU 49 HA GLU 49 3.680 -3.333 -8.652 738 HB2 GLU 49 2HB GLU 49 1.060 -3.383 -7.270 739 HB3 GLU 49 1HB GLU 49 1.109 -2.576 -8.830 740 HG2 GLU 49 2HG GLU 49 0.448 -4.902 -9.063 741 HG3 GLU 49 1HG GLU 49 1.976 -4.574 -9.863 742 H TYR 50 H TYR 50 3.108 -1.153 -6.110 743 HA TYR 50 HA TYR 50 2.470 1.133 -7.619 744 HB2 TYR 50 2HB TYR 50 1.858 1.000 -5.299 745 HB3 TYR 50 1HB TYR 50 3.540 0.778 -4.827 746 HD1 TYR 50 1HD TYR 50 1.452 3.204 -6.716 747 HD2 TYR 50 2HD TYR 50 4.629 2.581 -3.980 748 HE1 TYR 50 1HE TYR 50 1.653 5.634 -6.430 749 HE2 TYR 50 2HE TYR 50 4.860 5.025 -3.673 750 HH TYR 50 HH TYR 50 4.322 7.096 -5.027 751 H LEU 51 H LEU 51 5.446 0.061 -6.003 752 HA LEU 51 HA LEU 51 7.076 2.132 -6.917 753 HB2 LEU 51 2HB LEU 51 7.581 -0.615 -5.924 754 HB3 LEU 51 1HB LEU 51 8.882 0.186 -6.775 755 HG LEU 51 HG LEU 51 9.461 0.996 -4.788 756 HD11 LEU 51 1HD1 LEU 51 8.545 3.004 -5.781 757 HD12 LEU 51 2HD1 LEU 51 8.348 3.020 -4.029 758 HD13 LEU 51 3HD1 LEU 51 6.969 2.654 -5.068 759 HD21 LEU 51 3HD2 LEU 51 6.695 0.284 -3.847 760 HD22 LEU 51 1HD2 LEU 51 7.936 0.977 -2.796 761 HD23 LEU 51 2HD2 LEU 51 8.196 -0.599 -3.555 762 H GLN 52 H GLN 52 6.142 -0.882 -8.462 763 HA GLN 52 HA GLN 52 8.001 -0.493 -10.627 764 HB2 GLN 52 2HB GLN 52 5.816 -2.482 -10.125 765 HB3 GLN 52 1HB GLN 52 6.534 -2.350 -11.723 766 HG2 GLN 52 2HG GLN 52 7.761 -4.038 -10.745 767 HG3 GLN 52 1HG GLN 52 8.782 -2.624 -10.497 768 HE21 GLN 52 1HE2 GLN 52 6.827 -5.038 -9.031 769 HE22 GLN 52 2HE2 GLN 52 7.230 -4.671 -7.391 770 H LYS 53 H LYS 53 4.600 0.168 -10.103 771 HA LYS 53 HA LYS 53 4.024 0.938 -12.782 772 HB2 LYS 53 2HB LYS 53 2.287 0.293 -11.166 773 HB3 LYS 53 1HB LYS 53 2.655 1.721 -10.214 774 HG2 LYS 53 2HG LYS 53 1.999 3.139 -12.103 775 HG3 LYS 53 1HG LYS 53 1.589 1.691 -13.025 776 HD2 LYS 53 2HD LYS 53 -0.140 1.120 -11.443 777 HD3 LYS 53 1HD LYS 53 0.335 2.456 -10.389 778 HE2 LYS 53 2HE LYS 53 -1.667 2.981 -11.731 779 HE3 LYS 53 1HE LYS 53 -0.321 4.065 -12.076 780 HZ1 LYS 53 3HZ LYS 53 -1.085 1.715 -13.723 781 HZ2 LYS 53 1HZ LYS 53 0.164 2.806 -14.065 782 HZ3 LYS 53 2HZ LYS 53 -1.447 3.327 -14.094 783 H ARG 54 H ARG 54 5.636 2.421 -10.190 784 HA ARG 54 HA ARG 54 5.059 5.092 -11.189 785 HB2 ARG 54 2HB ARG 54 4.896 4.157 -8.682 786 HB3 ARG 54 1HB ARG 54 6.579 4.654 -8.676 787 HG2 ARG 54 2HG ARG 54 5.434 6.515 -7.850 788 HG3 ARG 54 1HG ARG 54 5.706 6.906 -9.551 789 HD2 ARG 54 2HD ARG 54 3.485 6.531 -10.128 790 HD3 ARG 54 1HD ARG 54 3.179 5.557 -8.701 791 HE ARG 54 HE ARG 54 3.792 8.366 -8.248 792 HH11 ARG 54 1HH1 ARG 54 1.277 5.979 -8.716 793 HH12 ARG 54 2HH1 ARG 54 0.079 6.843 -7.792 794 HH21 ARG 54 1HH2 ARG 54 2.226 9.531 -7.046 795 HH22 ARG 54 2HH2 ARG 54 0.632 8.872 -6.827 796 H ASN 55 H ASN 55 7.854 3.424 -9.713 797 HA ASN 55 HA ASN 55 9.586 3.869 -11.862 798 HB2 ASN 55 2HB ASN 55 11.076 5.589 -10.565 799 HB3 ASN 55 1HB ASN 55 9.737 6.156 -11.551 800 HD21 ASN 55 1HD2 ASN 55 9.606 8.069 -10.385 801 HD22 ASN 55 2HD2 ASN 55 8.907 8.121 -8.797 802 H GLY 56 H GLY 56 9.940 4.162 -8.319 803 HA2 GLY 56 2HA GLY 56 11.129 2.871 -6.835 804 HA3 GLY 56 1HA GLY 56 11.143 1.593 -8.044 Start of MODEL 6 1 H LYS 11 H LYS 11 -14.166 9.867 12.029 2 HA LYS 11 HA LYS 11 -14.724 10.354 9.752 3 HB2 LYS 11 2HB LYS 11 -13.309 12.585 11.213 4 HB3 LYS 11 1HB LYS 11 -14.356 12.829 9.824 5 HG2 LYS 11 2HG LYS 11 -16.241 11.920 11.077 6 HG3 LYS 11 1HG LYS 11 -15.191 11.664 12.475 7 HD2 LYS 11 2HD LYS 11 -14.786 14.029 12.666 8 HD3 LYS 11 1HD LYS 11 -15.674 14.341 11.175 9 HE2 LYS 11 2HE LYS 11 -17.723 13.507 12.239 10 HE3 LYS 11 1HE LYS 11 -16.825 13.226 13.730 11 HZ1 LYS 11 2HZ LYS 11 -18.079 15.332 13.720 12 HZ2 LYS 11 3HZ LYS 11 -17.123 15.881 12.430 13 HZ3 LYS 11 1HZ LYS 11 -16.413 15.559 13.938 14 H GLN 12 H GLN 12 -13.947 9.938 7.824 15 HA GLN 12 HA GLN 12 -12.777 10.152 5.907 16 HB2 GLN 12 2HB GLN 12 -11.549 12.404 7.443 17 HB3 GLN 12 1HB GLN 12 -10.860 11.923 5.901 18 HG2 GLN 12 2HG GLN 12 -12.382 13.758 5.594 19 HG3 GLN 12 1HG GLN 12 -13.034 12.312 4.831 20 HE21 GLN 12 1HE2 GLN 12 -13.361 14.569 7.465 21 HE22 GLN 12 2HE2 GLN 12 -14.977 14.123 7.901 22 H LYS 13 H LYS 13 -10.590 10.162 8.730 23 HA LYS 13 HA LYS 13 -8.689 8.592 7.123 24 HB2 LYS 13 2HB LYS 13 -6.959 9.204 8.719 25 HB3 LYS 13 1HB LYS 13 -7.738 10.651 8.092 26 HG2 LYS 13 2HG LYS 13 -9.132 10.694 10.165 27 HG3 LYS 13 1HG LYS 13 -8.156 9.360 10.781 28 HD2 LYS 13 2HD LYS 13 -6.134 10.772 10.484 29 HD3 LYS 13 1HD LYS 13 -7.182 12.115 10.023 30 HE2 LYS 13 2HE LYS 13 -6.650 12.404 12.320 31 HE3 LYS 13 1HE LYS 13 -8.322 11.853 12.255 32 HZ1 LYS 13 3HZ LYS 13 -7.224 10.646 13.962 33 HZ2 LYS 13 1HZ LYS 13 -5.922 10.255 12.946 34 HZ3 LYS 13 2HZ LYS 13 -7.448 9.568 12.673 35 H ALA 14 H ALA 14 -7.585 6.834 8.066 36 HA ALA 14 HA ALA 14 -8.806 5.646 10.445 37 HB1 ALA 14 1HB ALA 14 -8.384 4.197 7.831 38 HB2 ALA 14 2HB ALA 14 -9.939 4.628 8.545 39 HB3 ALA 14 3HB ALA 14 -8.894 3.459 9.351 40 H VAL 15 H VAL 15 -7.447 3.736 11.178 41 HA VAL 15 HA VAL 15 -4.601 4.334 10.672 42 HB VAL 15 HB VAL 15 -5.500 2.684 12.987 43 HG11 VAL 15 1HG1 VAL 15 -3.136 2.797 12.556 44 HG12 VAL 15 2HG1 VAL 15 -3.509 3.653 14.053 45 HG13 VAL 15 3HG1 VAL 15 -3.191 4.559 12.574 46 HG21 VAL 15 3HG2 VAL 15 -5.529 5.693 12.941 47 HG22 VAL 15 1HG2 VAL 15 -5.671 4.694 14.391 48 HG23 VAL 15 2HG2 VAL 15 -6.921 4.625 13.151 49 H PHE 16 H PHE 16 -3.171 2.434 10.747 50 HA PHE 16 HA PHE 16 -4.373 -0.128 10.124 51 HB2 PHE 16 2HB PHE 16 -4.200 1.402 8.001 52 HB3 PHE 16 1HB PHE 16 -2.488 1.007 8.084 53 HD1 PHE 16 2HD PHE 16 -5.485 -1.075 8.767 54 HD2 PHE 16 1HD PHE 16 -2.060 -0.432 6.325 55 HE1 PHE 16 2HE PHE 16 -5.941 -3.179 7.580 56 HE2 PHE 16 1HE PHE 16 -2.517 -2.531 5.124 57 HZ PHE 16 HZ PHE 16 -4.455 -3.907 5.758 58 H GLY 17 H GLY 17 -3.187 -1.564 11.173 59 HA2 GLY 17 2HA GLY 17 -0.279 -1.086 11.416 60 HA3 GLY 17 1HA GLY 17 -1.245 -1.656 12.774 61 H ILE 18 H ILE 18 0.417 -2.521 9.896 62 HA ILE 18 HA ILE 18 -0.468 -5.315 10.199 63 HB ILE 18 HB ILE 18 -0.177 -5.568 7.751 64 HG12 ILE 18 2HG1 ILE 18 -0.115 -2.544 7.684 65 HG13 ILE 18 1HG1 ILE 18 1.335 -3.536 7.535 66 HG21 ILE 18 1HG2 ILE 18 -2.378 -5.270 8.696 67 HG22 ILE 18 2HG2 ILE 18 -2.275 -4.397 7.166 68 HG23 ILE 18 3HG2 ILE 18 -2.171 -3.517 8.693 69 HD11 ILE 18 3HD1 ILE 18 0.389 -4.564 5.527 70 HD12 ILE 18 1HD1 ILE 18 0.539 -2.814 5.373 71 HD13 ILE 18 2HD1 ILE 18 -1.036 -3.538 5.688 72 H TYR 19 H TYR 19 1.052 -6.878 9.110 73 HA TYR 19 HA TYR 19 3.834 -6.070 9.628 74 HB2 TYR 19 2HB TYR 19 2.619 -8.843 9.631 75 HB3 TYR 19 1HB TYR 19 4.310 -8.467 9.946 76 HD1 TYR 19 2HD TYR 19 4.751 -6.812 11.929 77 HD2 TYR 19 1HD TYR 19 1.144 -9.009 11.396 78 HE1 TYR 19 2HE TYR 19 4.242 -6.555 14.318 79 HE2 TYR 19 1HE TYR 19 0.623 -8.746 13.781 80 HH TYR 19 HH TYR 19 1.775 -8.333 15.882 81 H MET 20 H MET 20 4.511 -5.339 7.717 82 HA MET 20 HA MET 20 4.119 -7.043 5.342 83 HB2 MET 20 2HB MET 20 4.394 -5.024 3.986 84 HB3 MET 20 1HB MET 20 3.075 -4.821 5.128 85 HG2 MET 20 2HG MET 20 4.705 -3.602 6.611 86 HG3 MET 20 1HG MET 20 5.828 -3.620 5.251 87 HE1 MET 20 3HE MET 20 3.862 -1.524 2.571 88 HE2 MET 20 1HE MET 20 3.941 -3.273 2.765 89 HE3 MET 20 2HE MET 20 5.403 -2.301 2.949 90 H ASP 21 H ASP 21 5.932 -7.139 3.818 91 HA ASP 21 HA ASP 21 8.270 -7.889 5.136 92 HB2 ASP 21 2HB ASP 21 7.640 -7.435 2.233 93 HB3 ASP 21 1HB ASP 21 9.275 -7.805 2.760 94 H LYS 22 H LYS 22 10.430 -7.076 4.898 95 HA LYS 22 HA LYS 22 10.455 -4.299 5.604 96 HB2 LYS 22 2HB LYS 22 11.824 -5.833 6.876 97 HB3 LYS 22 1HB LYS 22 12.624 -6.392 5.410 98 HG2 LYS 22 2HG LYS 22 13.733 -4.298 5.127 99 HG3 LYS 22 1HG LYS 22 12.806 -3.571 6.444 100 HD2 LYS 22 2HD LYS 22 13.864 -5.039 8.048 101 HD3 LYS 22 1HD LYS 22 14.716 -5.886 6.755 102 HE2 LYS 22 2HE LYS 22 15.042 -2.950 7.352 103 HE3 LYS 22 1HE LYS 22 16.094 -4.207 7.999 104 HZ1 LYS 22 3HZ LYS 22 16.985 -3.134 5.996 105 HZ2 LYS 22 1HZ LYS 22 15.659 -3.698 5.105 106 HZ3 LYS 22 2HZ LYS 22 16.755 -4.801 5.783 107 H ASP 23 H ASP 23 12.271 -6.241 3.239 108 HA ASP 23 HA ASP 23 13.580 -4.186 1.952 109 HB2 ASP 23 2HB ASP 23 14.159 -6.473 1.489 110 HB3 ASP 23 1HB ASP 23 12.560 -6.797 0.832 111 H LEU 24 H LEU 24 10.297 -5.278 1.487 112 HA LEU 24 HA LEU 24 9.793 -3.750 -0.864 113 HB2 LEU 24 2HB LEU 24 8.623 -5.788 -0.522 114 HB3 LEU 24 1HB LEU 24 8.144 -5.319 1.092 115 HG LEU 24 HG LEU 24 6.438 -5.359 -0.907 116 HD11 LEU 24 1HD1 LEU 24 5.112 -3.733 0.346 117 HD12 LEU 24 2HD1 LEU 24 6.572 -3.229 1.209 118 HD13 LEU 24 3HD1 LEU 24 5.954 -4.869 1.403 119 HD21 LEU 24 3HD2 LEU 24 7.174 -2.459 -1.012 120 HD22 LEU 24 1HD2 LEU 24 6.173 -3.396 -2.123 121 HD23 LEU 24 2HD2 LEU 24 7.928 -3.603 -2.116 122 H LYS 25 H LYS 25 8.622 -3.457 2.531 123 HA LYS 25 HA LYS 25 7.366 -0.970 2.200 124 HB2 LYS 25 2HB LYS 25 7.192 -2.570 4.168 125 HB3 LYS 25 1HB LYS 25 8.743 -1.947 4.714 126 HG2 LYS 25 2HG LYS 25 7.713 0.331 4.754 127 HG3 LYS 25 1HG LYS 25 6.161 -0.447 4.433 128 HD2 LYS 25 2HD LYS 25 6.094 -0.354 6.717 129 HD3 LYS 25 1HD LYS 25 6.857 -1.929 6.494 130 HE2 LYS 25 2HE LYS 25 8.296 0.668 7.021 131 HE3 LYS 25 1HE LYS 25 7.984 -0.584 8.220 132 HZ1 LYS 25 3HZ LYS 25 10.195 -0.839 7.475 133 HZ2 LYS 25 1HZ LYS 25 9.748 -0.737 5.844 134 HZ3 LYS 25 2HZ LYS 25 9.314 -2.092 6.757 135 H THR 26 H THR 26 10.644 -1.926 2.726 136 HA THR 26 HA THR 26 11.626 0.677 3.438 137 HB THR 26 HB THR 26 13.079 -1.894 2.769 138 HG1 THR 26 1HG THR 26 12.225 -2.233 4.700 139 HG21 THR 26 3HG2 THR 26 15.067 -0.840 3.743 140 HG22 THR 26 1HG2 THR 26 14.176 0.668 3.960 141 HG23 THR 26 2HG2 THR 26 14.515 0.070 2.337 142 H ARG 27 H ARG 27 11.476 -1.298 0.548 143 HA ARG 27 HA ARG 27 12.955 0.273 -1.211 144 HB2 ARG 27 2HB ARG 27 12.216 -1.760 -2.092 145 HB3 ARG 27 1HB ARG 27 10.586 -1.544 -1.485 146 HG2 ARG 27 2HG ARG 27 10.588 -1.415 -3.875 147 HG3 ARG 27 1HG ARG 27 10.187 0.160 -3.181 148 HD2 ARG 27 2HD ARG 27 11.751 0.330 -5.096 149 HD3 ARG 27 1HD ARG 27 12.423 0.976 -3.599 150 HE ARG 27 HE ARG 27 13.096 -1.786 -4.160 151 HH11 ARG 27 1HH1 ARG 27 14.026 1.571 -4.624 152 HH12 ARG 27 2HH1 ARG 27 15.717 1.198 -4.773 153 HH21 ARG 27 1HH2 ARG 27 15.325 -2.253 -4.363 154 HH22 ARG 27 2HH2 ARG 27 16.455 -0.959 -4.628 155 H LEU 28 H LEU 28 9.515 0.415 -0.428 156 HA LEU 28 HA LEU 28 8.909 2.807 -1.753 157 HB2 LEU 28 2HB LEU 28 7.330 1.098 -0.872 158 HB3 LEU 28 1HB LEU 28 7.640 1.697 0.743 159 HG LEU 28 HG LEU 28 5.498 2.425 -0.415 160 HD11 LEU 28 1HD1 LEU 28 6.454 3.408 1.625 161 HD12 LEU 28 2HD1 LEU 28 5.544 4.563 0.643 162 HD13 LEU 28 3HD1 LEU 28 7.310 4.580 0.623 163 HD21 LEU 28 3HD2 LEU 28 7.449 4.217 -1.857 164 HD22 LEU 28 1HD2 LEU 28 5.694 4.392 -1.862 165 HD23 LEU 28 2HD2 LEU 28 6.440 2.966 -2.586 166 H LYS 29 H LYS 29 10.191 2.197 1.490 167 HA LYS 29 HA LYS 29 10.032 4.776 2.531 168 HB2 LYS 29 2HB LYS 29 10.671 2.860 3.891 169 HB3 LYS 29 1HB LYS 29 12.156 2.674 2.970 170 HG2 LYS 29 2HG LYS 29 11.634 5.222 4.431 171 HG3 LYS 29 1HG LYS 29 12.186 3.800 5.312 172 HD2 LYS 29 2HD LYS 29 14.179 3.671 3.983 173 HD3 LYS 29 1HD LYS 29 13.592 4.932 2.894 174 HE2 LYS 29 2HE LYS 29 15.261 5.792 4.469 175 HE3 LYS 29 1HE LYS 29 13.692 6.562 4.691 176 HZ1 LYS 29 3HZ LYS 29 13.300 4.994 6.552 177 HZ2 LYS 29 1HZ LYS 29 14.605 6.043 6.818 178 HZ3 LYS 29 2HZ LYS 29 14.884 4.431 6.383 179 H VAL 30 H VAL 30 12.441 3.307 0.441 180 HA VAL 30 HA VAL 30 14.179 5.529 0.313 181 HB VAL 30 HB VAL 30 13.766 3.298 -1.658 182 HG11 VAL 30 1HG1 VAL 30 16.059 5.233 -1.361 183 HG12 VAL 30 2HG1 VAL 30 14.921 5.154 -2.707 184 HG13 VAL 30 3HG1 VAL 30 16.046 3.825 -2.423 185 HG21 VAL 30 3HG2 VAL 30 15.622 2.226 -0.527 186 HG22 VAL 30 1HG2 VAL 30 14.329 2.585 0.624 187 HG23 VAL 30 2HG2 VAL 30 15.770 3.603 0.569 188 H TYR 31 H TYR 31 11.377 4.570 -1.478 189 HA TYR 31 HA TYR 31 11.485 6.527 -3.496 190 HB2 TYR 31 2HB TYR 31 10.025 4.574 -3.641 191 HB3 TYR 31 1HB TYR 31 9.109 5.134 -2.239 192 HD1 TYR 31 2HD TYR 31 10.189 6.337 -5.589 193 HD2 TYR 31 1HD TYR 31 7.154 6.280 -2.625 194 HE1 TYR 31 2HE TYR 31 8.736 7.616 -7.069 195 HE2 TYR 31 1HE TYR 31 5.681 7.571 -4.096 196 HH TYR 31 HH TYR 31 5.845 9.104 -5.996 197 H CYS 32 H CYS 32 10.152 6.460 -0.238 198 HA CYS 32 HA CYS 32 9.010 9.091 -0.384 199 HB2 CYS 32 2HB CYS 32 9.665 7.390 2.024 200 HB3 CYS 32 1HB CYS 32 8.663 8.834 2.039 201 HG CYS 32 HG CYS 32 7.950 5.835 0.576 202 H ALA 33 H ALA 33 12.122 7.809 0.304 203 HA ALA 33 HA ALA 33 13.105 10.177 1.613 204 HB1 ALA 33 1HB ALA 33 15.283 9.082 1.468 205 HB2 ALA 33 2HB ALA 33 14.598 7.844 0.413 206 HB3 ALA 33 3HB ALA 33 14.060 7.973 2.088 207 H LYS 34 H LYS 34 13.069 8.814 -1.607 208 HA LYS 34 HA LYS 34 14.856 10.647 -2.794 209 HB2 LYS 34 2HB LYS 34 14.372 8.435 -3.752 210 HB3 LYS 34 1HB LYS 34 12.704 8.913 -4.027 211 HG2 LYS 34 2HG LYS 34 13.549 10.692 -5.554 212 HG3 LYS 34 1HG LYS 34 15.158 9.999 -5.371 213 HD2 LYS 34 2HD LYS 34 12.799 8.380 -6.310 214 HD3 LYS 34 1HD LYS 34 13.824 9.284 -7.421 215 HE2 LYS 34 2HE LYS 34 14.719 7.135 -7.469 216 HE3 LYS 34 1HE LYS 34 15.774 7.996 -6.354 217 HZ1 LYS 34 3HZ LYS 34 15.224 5.832 -5.497 218 HZ2 LYS 34 1HZ LYS 34 13.561 6.147 -5.613 219 HZ3 LYS 34 2HZ LYS 34 14.526 7.014 -4.512 220 H ASN 35 H ASN 35 11.337 10.466 -2.668 221 HA ASN 35 HA ASN 35 11.143 13.042 -4.031 222 HB2 ASN 35 2HB ASN 35 9.035 11.053 -3.167 223 HB3 ASN 35 1HB ASN 35 8.679 12.583 -3.961 224 HD21 ASN 35 1HD2 ASN 35 10.046 9.404 -4.340 225 HD22 ASN 35 2HD2 ASN 35 10.069 9.416 -6.077 226 H ASN 36 H ASN 36 11.748 12.096 -1.031 227 HA ASN 36 HA ASN 36 11.385 12.847 1.086 228 HB2 ASN 36 2HB ASN 36 10.816 15.331 -0.501 229 HB3 ASN 36 1HB ASN 36 10.715 15.332 1.257 230 HD21 ASN 36 1HD2 ASN 36 12.713 15.786 -1.389 231 HD22 ASN 36 2HD2 ASN 36 14.240 15.713 -0.573 232 H LEU 37 H LEU 37 9.137 11.674 -0.505 233 HA LEU 37 HA LEU 37 6.698 12.868 0.314 234 HB2 LEU 37 2HB LEU 37 7.552 10.578 -1.215 235 HB3 LEU 37 1HB LEU 37 6.269 10.126 -0.109 236 HG LEU 37 HG LEU 37 4.815 11.850 -1.056 237 HD11 LEU 37 1HD1 LEU 37 6.506 13.473 -1.707 238 HD12 LEU 37 2HD1 LEU 37 5.479 13.052 -3.078 239 HD13 LEU 37 3HD1 LEU 37 7.102 12.373 -2.950 240 HD21 LEU 37 3HD2 LEU 37 4.753 9.611 -1.995 241 HD22 LEU 37 1HD2 LEU 37 6.054 10.025 -3.112 242 HD23 LEU 37 2HD2 LEU 37 4.484 10.815 -3.256 243 H GLN 38 H GLN 38 5.091 11.743 1.646 244 HA GLN 38 HA GLN 38 6.248 10.850 4.145 245 HB2 GLN 38 2HB GLN 38 3.366 11.300 3.351 246 HB3 GLN 38 1HB GLN 38 3.917 10.893 4.970 247 HG2 GLN 38 2HG GLN 38 5.126 12.970 5.127 248 HG3 GLN 38 1HG GLN 38 4.711 13.360 3.460 249 HE21 GLN 38 1HE2 GLN 38 3.504 13.109 6.724 250 HE22 GLN 38 2HE2 GLN 38 2.005 13.943 6.452 251 H LEU 39 H LEU 39 6.300 8.780 4.806 252 HA LEU 39 HA LEU 39 6.108 6.611 3.166 253 HB2 LEU 39 2HB LEU 39 6.477 7.042 5.910 254 HB3 LEU 39 1HB LEU 39 5.189 5.860 5.792 255 HG LEU 39 HG LEU 39 7.204 4.643 6.005 256 HD11 LEU 39 1HD1 LEU 39 7.369 3.427 3.887 257 HD12 LEU 39 2HD1 LEU 39 6.429 4.695 3.098 258 HD13 LEU 39 3HD1 LEU 39 5.694 3.712 4.363 259 HD21 LEU 39 3HD2 LEU 39 8.323 6.306 3.756 260 HD22 LEU 39 1HD2 LEU 39 9.140 4.965 4.562 261 HD23 LEU 39 2HD2 LEU 39 8.758 6.435 5.461 262 H THR 40 H THR 40 3.536 7.791 5.297 263 HA THR 40 HA THR 40 1.621 5.877 4.649 264 HB THR 40 HB THR 40 1.012 8.721 5.406 265 HG1 THR 40 1HG THR 40 1.289 7.993 7.589 266 HG21 THR 40 3HG2 THR 40 -0.879 7.709 6.591 267 HG22 THR 40 1HG2 THR 40 -0.375 6.116 6.026 268 HG23 THR 40 2HG2 THR 40 -0.922 7.331 4.869 269 H GLN 41 H GLN 41 2.112 9.139 3.326 270 HA GLN 41 HA GLN 41 -0.034 9.199 1.566 271 HB2 GLN 41 2HB GLN 41 1.496 11.091 2.177 272 HB3 GLN 41 1HB GLN 41 2.695 10.404 1.092 273 HG2 GLN 41 2HG GLN 41 1.130 10.672 -0.785 274 HG3 GLN 41 1HG GLN 41 -0.036 11.407 0.314 275 HE21 GLN 41 1HE2 GLN 41 2.971 11.822 -1.363 276 HE22 GLN 41 2HE2 GLN 41 3.109 13.531 -1.119 277 H ALA 42 H ALA 42 3.176 7.815 1.207 278 HA ALA 42 HA ALA 42 2.969 7.160 -1.554 279 HB1 ALA 42 1HB ALA 42 4.679 5.940 0.590 280 HB2 ALA 42 2HB ALA 42 5.102 7.335 -0.403 281 HB3 ALA 42 3HB ALA 42 4.901 5.747 -1.149 282 H ILE 43 H ILE 43 2.455 5.266 1.433 283 HA ILE 43 HA ILE 43 1.723 2.853 0.218 284 HB ILE 43 HB ILE 43 1.212 4.089 2.868 285 HG12 ILE 43 2HG1 ILE 43 1.987 1.837 3.627 286 HG13 ILE 43 1HG1 ILE 43 2.146 1.369 1.940 287 HG21 ILE 43 1HG2 ILE 43 -0.436 1.751 1.912 288 HG22 ILE 43 2HG2 ILE 43 -1.030 3.384 2.245 289 HG23 ILE 43 3HG2 ILE 43 -0.384 2.393 3.558 290 HD11 ILE 43 3HD1 ILE 43 4.292 1.971 2.805 291 HD12 ILE 43 1HD1 ILE 43 3.674 3.524 3.370 292 HD13 ILE 43 2HD1 ILE 43 3.782 3.194 1.639 293 H GLU 44 H GLU 44 -0.258 5.631 1.120 294 HA GLU 44 HA GLU 44 -2.738 4.529 0.391 295 HB2 GLU 44 2HB GLU 44 -1.873 7.423 0.479 296 HB3 GLU 44 1HB GLU 44 -3.539 6.876 0.363 297 HG2 GLU 44 2HG GLU 44 -3.326 5.777 2.530 298 HG3 GLU 44 1HG GLU 44 -1.660 6.326 2.644 299 H GLU 45 H GLU 45 -0.514 6.609 -1.447 300 HA GLU 45 HA GLU 45 -2.014 6.593 -3.832 301 HB2 GLU 45 2HB GLU 45 0.948 6.938 -3.357 302 HB3 GLU 45 1HB GLU 45 0.174 7.179 -4.917 303 HG2 GLU 45 2HG GLU 45 -0.520 8.699 -2.418 304 HG3 GLU 45 1HG GLU 45 0.592 9.266 -3.663 305 H ALA 46 H ALA 46 0.323 4.377 -2.446 306 HA ALA 46 HA ALA 46 0.750 2.769 -4.718 307 HB1 ALA 46 1HB ALA 46 2.138 2.720 -2.657 308 HB2 ALA 46 2HB ALA 46 1.623 1.120 -3.195 309 HB3 ALA 46 3HB ALA 46 0.816 1.898 -1.826 310 H ILE 47 H ILE 47 -1.377 2.291 -1.919 311 HA ILE 47 HA ILE 47 -2.621 0.007 -2.927 312 HB ILE 47 HB ILE 47 -2.493 0.535 -0.557 313 HG12 ILE 47 2HG1 ILE 47 -5.374 0.456 -1.420 314 HG13 ILE 47 1HG1 ILE 47 -4.301 -0.942 -1.436 315 HG21 ILE 47 1HG2 ILE 47 -4.385 2.777 -1.190 316 HG22 ILE 47 2HG2 ILE 47 -2.730 2.916 -0.585 317 HG23 ILE 47 3HG2 ILE 47 -3.992 2.216 0.434 318 HD11 ILE 47 3HD1 ILE 47 -5.243 0.631 0.942 319 HD12 ILE 47 1HD1 ILE 47 -3.941 -0.558 1.012 320 HD13 ILE 47 2HD1 ILE 47 -5.564 -1.063 0.548 321 H LYS 48 H LYS 48 -3.295 3.408 -3.272 322 HA LYS 48 HA LYS 48 -5.931 3.187 -4.266 323 HB2 LYS 48 2HB LYS 48 -5.156 5.301 -3.440 324 HB3 LYS 48 1HB LYS 48 -3.792 5.286 -4.542 325 HG2 LYS 48 2HG LYS 48 -5.537 6.894 -5.184 326 HG3 LYS 48 1HG LYS 48 -5.208 5.694 -6.426 327 HD2 LYS 48 2HD LYS 48 -7.602 6.146 -6.213 328 HD3 LYS 48 1HD LYS 48 -7.224 4.476 -5.809 329 HE2 LYS 48 2HE LYS 48 -7.626 4.802 -3.552 330 HE3 LYS 48 1HE LYS 48 -7.421 6.552 -3.659 331 HZ1 LYS 48 3HZ LYS 48 -9.685 5.011 -4.825 332 HZ2 LYS 48 1HZ LYS 48 -9.499 6.696 -4.860 333 HZ3 LYS 48 2HZ LYS 48 -9.752 5.900 -3.383 334 H GLU 49 H GLU 49 -2.836 3.697 -5.990 335 HA GLU 49 HA GLU 49 -4.048 3.327 -8.538 336 HB2 GLU 49 2HB GLU 49 -1.225 3.580 -7.554 337 HB3 GLU 49 1HB GLU 49 -1.484 2.938 -9.166 338 HG2 GLU 49 2HG GLU 49 -2.358 4.954 -9.978 339 HG3 GLU 49 1HG GLU 49 -2.720 5.548 -8.353 340 H TYR 50 H TYR 50 -3.203 1.176 -6.140 341 HA TYR 50 HA TYR 50 -2.541 -1.037 -7.792 342 HB2 TYR 50 2HB TYR 50 -1.695 -1.045 -5.579 343 HB3 TYR 50 1HB TYR 50 -3.292 -0.761 -4.897 344 HD1 TYR 50 1HD TYR 50 -1.420 -3.255 -6.927 345 HD2 TYR 50 2HD TYR 50 -4.465 -2.534 -4.058 346 HE1 TYR 50 1HE TYR 50 -1.671 -5.677 -6.603 347 HE2 TYR 50 2HE TYR 50 -4.732 -4.969 -3.711 348 HH TYR 50 HH TYR 50 -2.493 -7.231 -4.887 349 H LEU 51 H LEU 51 -5.397 0.021 -5.994 350 HA LEU 51 HA LEU 51 -7.098 -2.050 -6.788 351 HB2 LEU 51 2HB LEU 51 -7.501 0.684 -5.734 352 HB3 LEU 51 1HB LEU 51 -8.862 -0.079 -6.524 353 HG LEU 51 HG LEU 51 -9.344 -0.945 -4.529 354 HD11 LEU 51 1HD1 LEU 51 -8.160 -2.975 -3.862 355 HD12 LEU 51 2HD1 LEU 51 -6.860 -2.584 -4.986 356 HD13 LEU 51 3HD1 LEU 51 -8.475 -2.936 -5.598 357 HD21 LEU 51 3HD2 LEU 51 -7.745 -0.943 -2.619 358 HD22 LEU 51 1HD2 LEU 51 -8.009 0.642 -3.352 359 HD23 LEU 51 2HD2 LEU 51 -6.532 -0.259 -3.706 360 H GLN 52 H GLN 52 -6.278 0.980 -8.396 361 HA GLN 52 HA GLN 52 -8.263 0.543 -10.441 362 HB2 GLN 52 2HB GLN 52 -6.147 2.591 -9.998 363 HB3 GLN 52 1HB GLN 52 -6.751 2.376 -11.634 364 HG2 GLN 52 2HG GLN 52 -8.039 4.091 -10.716 365 HG3 GLN 52 1HG GLN 52 -9.073 2.667 -10.670 366 HE21 GLN 52 1HE2 GLN 52 -7.324 4.993 -8.852 367 HE22 GLN 52 2HE2 GLN 52 -7.933 4.556 -7.297 368 H LYS 53 H LYS 53 -4.913 -0.216 -10.018 369 HA LYS 53 HA LYS 53 -4.429 -1.056 -12.707 370 HB2 LYS 53 2HB LYS 53 -2.660 -0.450 -11.060 371 HB3 LYS 53 1HB LYS 53 -3.055 -1.905 -10.164 372 HG2 LYS 53 2HG LYS 53 -2.367 -3.280 -12.024 373 HG3 LYS 53 1HG LYS 53 -2.032 -1.836 -12.986 374 HD2 LYS 53 2HD LYS 53 -0.305 -1.159 -11.445 375 HD3 LYS 53 1HD LYS 53 -0.697 -2.493 -10.363 376 HE2 LYS 53 2HE LYS 53 0.352 -2.770 -13.177 377 HE3 LYS 53 1HE LYS 53 1.310 -2.944 -11.707 378 HZ1 LYS 53 3HZ LYS 53 -0.924 -4.677 -12.608 379 HZ2 LYS 53 1HZ LYS 53 -0.213 -4.783 -11.067 380 HZ3 LYS 53 2HZ LYS 53 0.710 -5.099 -12.453 381 H ARG 54 H ARG 54 -6.217 -2.295 -10.135 382 HA ARG 54 HA ARG 54 -5.974 -5.048 -11.096 383 HB2 ARG 54 2HB ARG 54 -5.566 -4.091 -8.605 384 HB3 ARG 54 1HB ARG 54 -7.283 -4.446 -8.514 385 HG2 ARG 54 2HG ARG 54 -6.416 -6.450 -7.805 386 HG3 ARG 54 1HG ARG 54 -6.498 -6.746 -9.548 387 HD2 ARG 54 2HD ARG 54 -4.212 -6.352 -9.840 388 HD3 ARG 54 1HD ARG 54 -4.054 -5.593 -8.260 389 HE ARG 54 HE ARG 54 -4.879 -8.247 -7.888 390 HH11 ARG 54 1HH1 ARG 54 -2.121 -6.443 -9.045 391 HH12 ARG 54 2HH1 ARG 54 -0.956 -7.597 -8.488 392 HH21 ARG 54 1HH2 ARG 54 -3.350 -9.797 -7.150 393 HH22 ARG 54 2HH2 ARG 54 -1.651 -9.507 -7.423 394 H ASN 55 H ASN 55 -8.439 -3.257 -9.277 395 HA ASN 55 HA ASN 55 -10.507 -3.194 -11.066 396 HB2 ASN 55 2HB ASN 55 -11.900 -5.164 -10.095 397 HB3 ASN 55 1HB ASN 55 -10.741 -5.488 -11.374 398 HD21 ASN 55 1HD2 ASN 55 -10.677 -7.647 -10.778 399 HD22 ASN 55 2HD2 ASN 55 -9.797 -8.187 -9.389 400 H GLY 56 H GLY 56 -10.146 -4.381 -7.708 401 HA2 GLY 56 2HA GLY 56 -10.478 -2.950 -5.826 402 HA3 GLY 56 1HA GLY 56 -11.543 -1.961 -6.810 403 H LYS 11 H LYS 11 14.224 -9.751 12.076 404 HA LYS 11 HA LYS 11 14.775 -10.272 9.806 405 HB2 LYS 11 2HB LYS 11 13.346 -12.485 11.285 406 HB3 LYS 11 1HB LYS 11 14.393 -12.738 9.898 407 HG2 LYS 11 2HG LYS 11 16.280 -11.830 11.147 408 HG3 LYS 11 1HG LYS 11 15.228 -11.565 12.541 409 HD2 LYS 11 2HD LYS 11 14.822 -13.927 12.749 410 HD3 LYS 11 1HD LYS 11 15.705 -14.250 11.257 411 HE2 LYS 11 2HE LYS 11 17.754 -13.398 12.313 412 HE3 LYS 11 1HE LYS 11 16.859 -13.132 13.807 413 HZ1 LYS 11 2HZ LYS 11 18.129 -15.229 13.767 414 HZ2 LYS 11 3HZ LYS 11 17.160 -15.776 12.491 415 HZ3 LYS 11 1HZ LYS 11 16.469 -15.468 14.011 416 H GLN 12 H GLN 12 13.987 -9.858 7.882 417 HA GLN 12 HA GLN 12 12.824 -10.077 5.965 418 HB2 GLN 12 2HB GLN 12 11.595 -12.331 7.504 419 HB3 GLN 12 1HB GLN 12 10.908 -11.853 5.961 420 HG2 GLN 12 2HG GLN 12 12.428 -13.689 5.659 421 HG3 GLN 12 1HG GLN 12 13.082 -12.243 4.893 422 HE21 GLN 12 1HE2 GLN 12 13.410 -14.502 7.516 423 HE22 GLN 12 2HE2 GLN 12 15.022 -14.042 7.980 424 H LYS 13 H LYS 13 10.636 -10.074 8.789 425 HA LYS 13 HA LYS 13 8.738 -8.516 7.168 426 HB2 LYS 13 2HB LYS 13 7.005 -9.121 8.762 427 HB3 LYS 13 1HB LYS 13 7.785 -10.571 8.142 428 HG2 LYS 13 2HG LYS 13 9.168 -10.606 10.223 429 HG3 LYS 13 1HG LYS 13 8.188 -9.269 10.827 430 HD2 LYS 13 2HD LYS 13 6.170 -10.680 10.535 431 HD3 LYS 13 1HD LYS 13 7.215 -12.025 10.076 432 HE2 LYS 13 2HE LYS 13 6.691 -12.317 12.370 433 HE3 LYS 13 1HE LYS 13 8.359 -11.754 12.308 434 HZ1 LYS 13 3HZ LYS 13 7.223 -10.575 14.013 435 HZ2 LYS 13 1HZ LYS 13 5.950 -10.158 12.977 436 HZ3 LYS 13 2HZ LYS 13 7.490 -9.482 12.743 437 H ALA 14 H ALA 14 7.626 -6.757 8.109 438 HA ALA 14 HA ALA 14 8.850 -5.562 10.482 439 HB1 ALA 14 1HB ALA 14 8.427 -4.125 7.863 440 HB2 ALA 14 2HB ALA 14 9.982 -4.549 8.581 441 HB3 ALA 14 3HB ALA 14 8.934 -3.377 9.379 442 H VAL 15 H VAL 15 7.488 -3.629 11.183 443 HA VAL 15 HA VAL 15 4.646 -4.252 10.691 444 HB VAL 15 HB VAL 15 5.538 -2.587 12.997 445 HG11 VAL 15 1HG1 VAL 15 3.178 -2.699 12.559 446 HG12 VAL 15 2HG1 VAL 15 3.544 -3.545 14.063 447 HG13 VAL 15 3HG1 VAL 15 3.228 -4.461 12.590 448 HG21 VAL 15 3HG2 VAL 15 5.571 -5.595 12.974 449 HG22 VAL 15 1HG2 VAL 15 5.706 -4.585 14.417 450 HG23 VAL 15 2HG2 VAL 15 6.961 -4.524 13.181 451 H PHE 16 H PHE 16 3.206 -2.354 10.755 452 HA PHE 16 HA PHE 16 4.408 0.209 10.128 453 HB2 PHE 16 2HB PHE 16 4.251 -1.323 8.010 454 HB3 PHE 16 1HB PHE 16 2.536 -0.935 8.082 455 HD1 PHE 16 2HD PHE 16 5.523 1.156 8.768 456 HD2 PHE 16 1HD PHE 16 2.106 0.504 6.322 457 HE1 PHE 16 2HE PHE 16 5.986 3.255 7.571 458 HE2 PHE 16 1HE PHE 16 2.567 2.596 5.111 459 HZ PHE 16 HZ PHE 16 4.504 3.974 5.741 460 H GLY 17 H GLY 17 3.217 1.657 11.162 461 HA2 GLY 17 2HA GLY 17 0.308 1.181 11.409 462 HA3 GLY 17 1HA GLY 17 1.273 1.756 12.764 463 H ILE 18 H ILE 18 -0.376 2.604 9.873 464 HA ILE 18 HA ILE 18 0.510 5.401 10.169 465 HB ILE 18 HB ILE 18 0.221 5.645 7.717 466 HG12 ILE 18 2HG1 ILE 18 0.159 2.622 7.669 467 HG13 ILE 18 1HG1 ILE 18 -1.290 3.612 7.508 468 HG21 ILE 18 1HG2 ILE 18 2.416 5.347 8.674 469 HG22 ILE 18 2HG2 ILE 18 2.321 4.471 7.144 470 HG23 ILE 18 3HG2 ILE 18 2.209 3.596 8.673 471 HD11 ILE 18 3HD1 ILE 18 -0.339 4.628 5.498 472 HD12 ILE 18 1HD1 ILE 18 -0.491 2.878 5.355 473 HD13 ILE 18 2HD1 ILE 18 1.086 3.601 5.669 474 H TYR 19 H TYR 19 -1.015 6.956 9.078 475 HA TYR 19 HA TYR 19 -3.797 6.152 9.593 476 HB2 TYR 19 2HB TYR 19 -2.578 8.925 9.583 477 HB3 TYR 19 1HB TYR 19 -4.270 8.555 9.900 478 HD1 TYR 19 2HD TYR 19 -4.715 6.907 11.887 479 HD2 TYR 19 1HD TYR 19 -1.103 9.095 11.352 480 HE1 TYR 19 2HE TYR 19 -4.208 6.656 14.278 481 HE2 TYR 19 1HE TYR 19 -0.584 8.838 13.740 482 HH TYR 19 HH TYR 19 -1.719 8.421 15.841 483 H MET 20 H MET 20 -4.467 5.405 7.679 484 HA MET 20 HA MET 20 -4.071 7.100 5.298 485 HB2 MET 20 2HB MET 20 -4.343 5.073 3.951 486 HB3 MET 20 1HB MET 20 -3.028 4.878 5.100 487 HG2 MET 20 2HG MET 20 -4.659 3.665 6.584 488 HG3 MET 20 1HG MET 20 -5.782 3.677 5.220 489 HE1 MET 20 3HE MET 20 -3.820 1.571 2.546 490 HE2 MET 20 1HE MET 20 -3.891 3.324 2.737 491 HE3 MET 20 2HE MET 20 -5.356 2.356 2.924 492 H ASP 21 H ASP 21 -5.884 7.202 3.773 493 HA ASP 21 HA ASP 21 -8.224 7.949 5.082 494 HB2 ASP 21 2HB ASP 21 -7.584 7.480 2.184 495 HB3 ASP 21 1HB ASP 21 -9.227 7.825 2.700 496 H LYS 22 H LYS 22 -10.380 7.128 4.848 497 HA LYS 22 HA LYS 22 -10.410 4.354 5.561 498 HB2 LYS 22 2HB LYS 22 -11.779 5.890 6.833 499 HB3 LYS 22 1HB LYS 22 -12.580 6.448 5.367 500 HG2 LYS 22 2HG LYS 22 -13.681 4.350 5.085 501 HG3 LYS 22 1HG LYS 22 -12.757 3.629 6.407 502 HD2 LYS 22 2HD LYS 22 -13.824 5.102 8.005 503 HD3 LYS 22 1HD LYS 22 -14.669 5.947 6.707 504 HE2 LYS 22 2HE LYS 22 -15.003 3.011 7.304 505 HE3 LYS 22 1HE LYS 22 -16.055 4.269 7.952 506 HZ1 LYS 22 3HZ LYS 22 -16.935 3.187 5.927 507 HZ2 LYS 22 1HZ LYS 22 -15.616 3.794 5.054 508 HZ3 LYS 22 2HZ LYS 22 -16.729 4.862 5.751 509 H ASP 23 H ASP 23 -12.232 6.296 3.199 510 HA ASP 23 HA ASP 23 -13.534 4.238 1.908 511 HB2 ASP 23 2HB ASP 23 -14.109 6.519 1.430 512 HB3 ASP 23 1HB ASP 23 -12.503 6.848 0.796 513 H LEU 24 H LEU 24 -10.248 5.322 1.447 514 HA LEU 24 HA LEU 24 -9.742 3.786 -0.898 515 HB2 LEU 24 2HB LEU 24 -8.569 5.823 -0.571 516 HB3 LEU 24 1HB LEU 24 -8.093 5.367 1.048 517 HG LEU 24 HG LEU 24 -6.383 5.391 -0.944 518 HD11 LEU 24 1HD1 LEU 24 -5.059 3.775 0.318 519 HD12 LEU 24 2HD1 LEU 24 -6.519 3.269 1.179 520 HD13 LEU 24 3HD1 LEU 24 -5.905 4.912 1.370 521 HD21 LEU 24 3HD2 LEU 24 -7.115 2.494 -1.036 522 HD22 LEU 24 1HD2 LEU 24 -6.123 3.428 -2.154 523 HD23 LEU 24 2HD2 LEU 24 -7.880 3.630 -2.142 524 H LYS 25 H LYS 25 -8.574 3.507 2.497 525 HA LYS 25 HA LYS 25 -7.320 1.018 2.177 526 HB2 LYS 25 2HB LYS 25 -7.142 2.622 4.140 527 HB3 LYS 25 1HB LYS 25 -8.694 2.006 4.685 528 HG2 LYS 25 2HG LYS 25 -7.667 -0.276 4.737 529 HG3 LYS 25 1HG LYS 25 -6.116 0.498 4.416 530 HD2 LYS 25 2HD LYS 25 -6.051 0.414 6.700 531 HD3 LYS 25 1HD LYS 25 -6.810 1.990 6.470 532 HE2 LYS 25 2HE LYS 25 -8.259 -0.603 6.999 533 HE3 LYS 25 1HE LYS 25 -7.944 0.650 8.198 534 HZ1 LYS 25 3HZ LYS 25 -10.145 0.935 7.463 535 HZ2 LYS 25 1HZ LYS 25 -9.717 0.791 5.831 536 HZ3 LYS 25 2HZ LYS 25 -9.257 2.162 6.709 537 H THR 26 H THR 26 -10.597 1.976 2.700 538 HA THR 26 HA THR 26 -11.586 -0.622 3.422 539 HB THR 26 HB THR 26 -13.035 1.947 2.727 540 HG1 THR 26 1HG THR 26 -12.148 2.286 4.651 541 HG21 THR 26 3HG2 THR 26 -15.028 0.899 3.701 542 HG22 THR 26 1HG2 THR 26 -14.137 -0.607 3.935 543 HG23 THR 26 2HG2 THR 26 -14.467 -0.021 2.305 544 H ARG 27 H ARG 27 -11.419 1.334 0.520 545 HA ARG 27 HA ARG 27 -12.901 -0.247 -1.234 546 HB2 ARG 27 2HB ARG 27 -12.165 1.785 -2.125 547 HB3 ARG 27 1HB ARG 27 -10.534 1.576 -1.515 548 HG2 ARG 27 2HG ARG 27 -10.532 1.433 -3.904 549 HG3 ARG 27 1HG ARG 27 -10.136 -0.141 -3.199 550 HD2 ARG 27 2HD ARG 27 -11.701 -0.308 -5.119 551 HD3 ARG 27 1HD ARG 27 -12.367 -0.956 -3.621 552 HE ARG 27 HE ARG 27 -13.055 1.803 -4.169 553 HH11 ARG 27 1HH1 ARG 27 -13.965 -1.555 -4.648 554 HH12 ARG 27 2HH1 ARG 27 -15.662 -1.192 -4.804 555 HH21 ARG 27 1HH2 ARG 27 -15.268 2.267 -4.392 556 HH22 ARG 27 2HH2 ARG 27 -16.404 0.978 -4.665 557 H LEU 28 H LEU 28 -9.463 -0.380 -0.445 558 HA LEU 28 HA LEU 28 -8.853 -2.781 -1.757 559 HB2 LEU 28 2HB LEU 28 -7.276 -1.061 -0.881 560 HB3 LEU 28 1HB LEU 28 -7.587 -1.654 0.736 561 HG LEU 28 HG LEU 28 -5.444 -2.386 -0.421 562 HD11 LEU 28 1HD1 LEU 28 -6.407 -3.357 1.627 563 HD12 LEU 28 2HD1 LEU 28 -5.489 -4.515 0.658 564 HD13 LEU 28 3HD1 LEU 28 -7.255 -4.540 0.628 565 HD21 LEU 28 3HD2 LEU 28 -7.395 -4.187 -1.852 566 HD22 LEU 28 1HD2 LEU 28 -5.638 -4.358 -1.859 567 HD23 LEU 28 2HD2 LEU 28 -6.388 -2.939 -2.589 568 H LYS 29 H LYS 29 -10.138 -2.153 1.481 569 HA LYS 29 HA LYS 29 -9.980 -4.727 2.535 570 HB2 LYS 29 2HB LYS 29 -10.623 -2.803 3.886 571 HB3 LYS 29 1HB LYS 29 -12.106 -2.622 2.963 572 HG2 LYS 29 2HG LYS 29 -11.586 -5.167 4.430 573 HG3 LYS 29 1HG LYS 29 -12.139 -3.744 5.308 574 HD2 LYS 29 2HD LYS 29 -14.127 -3.616 3.975 575 HD3 LYS 29 1HD LYS 29 -13.538 -4.880 2.891 576 HE2 LYS 29 2HE LYS 29 -15.213 -5.731 4.468 577 HE3 LYS 29 1HE LYS 29 -13.646 -6.506 4.689 578 HZ1 LYS 29 3HZ LYS 29 -13.245 -4.972 6.556 579 HZ2 LYS 29 1HZ LYS 29 -14.589 -5.970 6.811 580 HZ3 LYS 29 2HZ LYS 29 -14.809 -4.348 6.370 581 H VAL 30 H VAL 30 -12.385 -3.267 0.432 582 HA VAL 30 HA VAL 30 -14.118 -5.492 0.321 583 HB VAL 30 HB VAL 30 -13.708 -3.277 -1.663 584 HG11 VAL 30 1HG1 VAL 30 -16.002 -5.210 -1.364 585 HG12 VAL 30 2HG1 VAL 30 -14.866 -5.123 -2.712 586 HG13 VAL 30 3HG1 VAL 30 -15.993 -3.798 -2.421 587 HG21 VAL 30 3HG2 VAL 30 -15.555 -2.188 -0.541 588 HG22 VAL 30 1HG2 VAL 30 -14.262 -2.546 0.608 589 HG23 VAL 30 2HG2 VAL 30 -15.708 -3.555 0.567 590 H TYR 31 H TYR 31 -11.318 -4.542 -1.480 591 HA TYR 31 HA TYR 31 -11.426 -6.509 -3.485 592 HB2 TYR 31 2HB TYR 31 -9.971 -4.554 -3.642 593 HB3 TYR 31 1HB TYR 31 -9.055 -5.103 -2.237 594 HD1 TYR 31 2HD TYR 31 -10.127 -6.320 -5.580 595 HD2 TYR 31 1HD TYR 31 -7.094 -6.251 -2.611 596 HE1 TYR 31 2HE TYR 31 -8.674 -7.611 -7.050 597 HE2 TYR 31 1HE TYR 31 -5.621 -7.550 -4.075 598 HH TYR 31 HH TYR 31 -5.782 -9.091 -5.965 599 H CYS 32 H CYS 32 -10.093 -6.423 -0.228 600 HA CYS 32 HA CYS 32 -8.954 -9.054 -0.363 601 HB2 CYS 32 2HB CYS 32 -9.615 -7.346 2.040 602 HB3 CYS 32 1HB CYS 32 -8.612 -8.789 2.057 603 HG CYS 32 HG CYS 32 -7.892 -5.795 0.585 604 H ALA 33 H ALA 33 -12.070 -7.767 0.321 605 HA ALA 33 HA ALA 33 -13.055 -10.128 1.640 606 HB1 ALA 33 1HB ALA 33 -15.238 -9.042 1.478 607 HB2 ALA 33 2HB ALA 33 -14.553 -7.809 0.417 608 HB3 ALA 33 3HB ALA 33 -14.021 -7.921 2.094 609 H LYS 34 H LYS 34 -13.009 -8.782 -1.589 610 HA LYS 34 HA LYS 34 -14.792 -10.622 -2.772 611 HB2 LYS 34 2HB LYS 34 -14.315 -8.415 -3.741 612 HB3 LYS 34 1HB LYS 34 -12.644 -8.888 -4.008 613 HG2 LYS 34 2HG LYS 34 -13.477 -10.678 -5.531 614 HG3 LYS 34 1HG LYS 34 -15.089 -9.992 -5.353 615 HD2 LYS 34 2HD LYS 34 -12.735 -8.372 -6.304 616 HD3 LYS 34 1HD LYS 34 -13.764 -9.281 -7.407 617 HE2 LYS 34 2HE LYS 34 -14.662 -7.131 -7.461 618 HE3 LYS 34 1HE LYS 34 -15.712 -7.990 -6.341 619 HZ1 LYS 34 3HZ LYS 34 -15.158 -5.813 -5.495 620 HZ2 LYS 34 1HZ LYS 34 -13.496 -6.144 -5.601 621 HZ3 LYS 34 2HZ LYS 34 -14.474 -6.997 -4.502 622 H ASN 35 H ASN 35 -11.276 -10.438 -2.640 623 HA ASN 35 HA ASN 35 -11.082 -13.018 -3.997 624 HB2 ASN 35 2HB ASN 35 -8.977 -11.028 -3.134 625 HB3 ASN 35 1HB ASN 35 -8.621 -12.560 -3.926 626 HD21 ASN 35 1HD2 ASN 35 -9.985 -9.383 -4.310 627 HD22 ASN 35 2HD2 ASN 35 -10.004 -9.393 -6.047 628 H ASN 36 H ASN 36 -11.679 -12.056 -1.000 629 HA ASN 36 HA ASN 36 -11.334 -12.811 1.118 630 HB2 ASN 36 2HB ASN 36 -10.757 -15.295 -0.465 631 HB3 ASN 36 1HB ASN 36 -10.649 -15.296 1.292 632 HD21 ASN 36 1HD2 ASN 36 -12.671 -15.730 -1.357 633 HD22 ASN 36 2HD2 ASN 36 -14.188 -15.674 -0.525 634 H LEU 37 H LEU 37 -9.088 -11.641 -0.467 635 HA LEU 37 HA LEU 37 -6.643 -12.826 0.352 636 HB2 LEU 37 2HB LEU 37 -7.499 -10.544 -1.189 637 HB3 LEU 37 1HB LEU 37 -6.217 -10.088 -0.083 638 HG LEU 37 HG LEU 37 -4.763 -11.814 -1.019 639 HD11 LEU 37 1HD1 LEU 37 -6.454 -13.439 -1.662 640 HD12 LEU 37 2HD1 LEU 37 -5.421 -13.030 -3.034 641 HD13 LEU 37 3HD1 LEU 37 -7.045 -12.348 -2.915 642 HD21 LEU 37 3HD2 LEU 37 -4.697 -9.581 -1.968 643 HD22 LEU 37 1HD2 LEU 37 -5.995 -9.998 -3.086 644 HD23 LEU 37 2HD2 LEU 37 -4.426 -10.790 -3.223 645 H GLN 38 H GLN 38 -5.038 -11.698 1.680 646 HA GLN 38 HA GLN 38 -6.200 -10.792 4.173 647 HB2 GLN 38 2HB GLN 38 -3.316 -11.245 3.388 648 HB3 GLN 38 1HB GLN 38 -3.872 -10.831 5.004 649 HG2 GLN 38 2HG GLN 38 -5.075 -12.912 5.167 650 HG3 GLN 38 1HG GLN 38 -4.657 -13.309 3.504 651 HE21 GLN 38 1HE2 GLN 38 -3.456 -13.043 6.764 652 HE22 GLN 38 2HE2 GLN 38 -1.961 -13.877 6.499 653 H LEU 39 H LEU 39 -6.245 -8.728 4.829 654 HA LEU 39 HA LEU 39 -6.057 -6.561 3.180 655 HB2 LEU 39 2HB LEU 39 -6.429 -6.984 5.927 656 HB3 LEU 39 1HB LEU 39 -5.143 -5.801 5.808 657 HG LEU 39 HG LEU 39 -7.158 -4.583 6.009 658 HD11 LEU 39 1HD1 LEU 39 -7.317 -3.372 3.883 659 HD12 LEU 39 2HD1 LEU 39 -6.373 -4.645 3.105 660 HD13 LEU 39 3HD1 LEU 39 -5.645 -3.655 4.370 661 HD21 LEU 39 3HD2 LEU 39 -8.274 -6.252 3.762 662 HD22 LEU 39 1HD2 LEU 39 -9.093 -4.910 4.566 663 HD23 LEU 39 2HD2 LEU 39 -8.712 -6.380 5.465 664 H THR 40 H THR 40 -3.486 -7.726 5.321 665 HA THR 40 HA THR 40 -1.571 -5.815 4.669 666 HB THR 40 HB THR 40 -0.963 -8.658 5.436 667 HG1 THR 40 1HG THR 40 -1.219 -7.875 7.628 668 HG21 THR 40 3HG2 THR 40 0.926 -7.638 6.623 669 HG22 THR 40 1HG2 THR 40 0.422 -6.048 6.053 670 HG23 THR 40 2HG2 THR 40 0.971 -7.265 4.900 671 H GLN 41 H GLN 41 -2.055 -9.083 3.357 672 HA GLN 41 HA GLN 41 0.091 -9.151 1.599 673 HB2 GLN 41 2HB GLN 41 -1.442 -11.040 2.218 674 HB3 GLN 41 1HB GLN 41 -2.637 -10.360 1.126 675 HG2 GLN 41 2HG GLN 41 -1.073 -10.635 -0.746 676 HG3 GLN 41 1HG GLN 41 0.098 -11.356 0.357 677 HE21 GLN 41 1HE2 GLN 41 -2.914 -11.796 -1.313 678 HE22 GLN 41 2HE2 GLN 41 -3.052 -13.503 -1.041 679 H ALA 42 H ALA 42 -3.121 -7.772 1.231 680 HA ALA 42 HA ALA 42 -2.915 -7.128 -1.531 681 HB1 ALA 42 1HB ALA 42 -4.626 -5.899 0.609 682 HB2 ALA 42 2HB ALA 42 -5.049 -7.297 -0.382 683 HB3 ALA 42 3HB ALA 42 -4.845 -5.713 -1.131 684 H ILE 43 H ILE 43 -2.405 -5.218 1.447 685 HA ILE 43 HA ILE 43 -1.663 -2.811 0.225 686 HB ILE 43 HB ILE 43 -1.160 -4.036 2.884 687 HG12 ILE 43 2HG1 ILE 43 -1.940 -1.777 3.628 688 HG13 ILE 43 1HG1 ILE 43 -2.094 -1.322 1.937 689 HG21 ILE 43 1HG2 ILE 43 0.484 -1.699 1.920 690 HG22 ILE 43 2HG2 ILE 43 1.082 -3.329 2.263 691 HG23 ILE 43 3HG2 ILE 43 0.430 -2.332 3.570 692 HD11 ILE 43 3HD1 ILE 43 -4.239 -1.920 2.803 693 HD12 ILE 43 1HD1 ILE 43 -3.621 -3.471 3.374 694 HD13 ILE 43 2HD1 ILE 43 -3.727 -3.146 1.642 695 H GLU 44 H GLU 44 0.316 -5.581 1.147 696 HA GLU 44 HA GLU 44 2.797 -4.490 0.408 697 HB2 GLU 44 2HB GLU 44 1.927 -7.381 0.501 698 HB3 GLU 44 1HB GLU 44 3.594 -6.835 0.389 699 HG2 GLU 44 2HG GLU 44 3.371 -5.727 2.553 700 HG3 GLU 44 1HG GLU 44 1.708 -6.287 2.665 701 H GLU 45 H GLU 45 0.569 -6.573 -1.424 702 HA GLU 45 HA GLU 45 2.073 -6.569 -3.810 703 HB2 GLU 45 2HB GLU 45 -0.892 -6.911 -3.340 704 HB3 GLU 45 1HB GLU 45 -0.113 -7.163 -4.897 705 HG2 GLU 45 2HG GLU 45 0.560 -8.672 -2.382 706 HG3 GLU 45 1HG GLU 45 -0.536 -9.247 -3.636 707 H ALA 46 H ALA 46 -0.269 -4.351 -2.434 708 HA ALA 46 HA ALA 46 -0.691 -2.749 -4.709 709 HB1 ALA 46 1HB ALA 46 -2.079 -2.694 -2.645 710 HB2 ALA 46 2HB ALA 46 -1.568 -1.096 -3.196 711 HB3 ALA 46 3HB ALA 46 -0.759 -1.861 -1.822 712 H ILE 47 H ILE 47 1.433 -2.259 -1.913 713 HA ILE 47 HA ILE 47 2.679 0.019 -2.931 714 HB ILE 47 HB ILE 47 2.544 -0.499 -0.557 715 HG12 ILE 47 2HG1 ILE 47 5.424 -0.417 -1.421 716 HG13 ILE 47 1HG1 ILE 47 4.345 0.978 -1.438 717 HG21 ILE 47 1HG2 ILE 47 4.438 -2.743 -1.176 718 HG22 ILE 47 2HG2 ILE 47 2.785 -2.880 -0.566 719 HG23 ILE 47 3HG2 ILE 47 4.048 -2.172 0.446 720 HD11 ILE 47 3HD1 ILE 47 5.297 -0.583 0.944 721 HD12 ILE 47 1HD1 ILE 47 3.996 0.609 1.010 722 HD13 ILE 47 2HD1 ILE 47 5.619 1.107 0.538 723 H LYS 48 H LYS 48 3.346 -3.379 -3.269 724 HA LYS 48 HA LYS 48 5.987 -3.163 -4.251 725 HB2 LYS 48 2HB LYS 48 5.212 -5.273 -3.415 726 HB3 LYS 48 1HB LYS 48 3.848 -5.266 -4.517 727 HG2 LYS 48 2HG LYS 48 5.594 -6.875 -5.150 728 HG3 LYS 48 1HG LYS 48 5.263 -5.680 -6.397 729 HD2 LYS 48 2HD LYS 48 7.655 -6.130 -6.183 730 HD3 LYS 48 1HD LYS 48 7.277 -4.457 -5.786 731 HE2 LYS 48 2HE LYS 48 7.674 -4.778 -3.526 732 HE3 LYS 48 1HE LYS 48 7.479 -6.529 -3.632 733 HZ1 LYS 48 3HZ LYS 48 9.719 -4.977 -4.811 734 HZ2 LYS 48 1HZ LYS 48 9.553 -6.664 -4.831 735 HZ3 LYS 48 2HZ LYS 48 9.803 -5.847 -3.364 736 H GLU 49 H GLU 49 2.895 -3.680 -5.979 737 HA GLU 49 HA GLU 49 4.111 -3.322 -8.524 738 HB2 GLU 49 2HB GLU 49 1.288 -3.571 -7.542 739 HB3 GLU 49 1HB GLU 49 1.544 -2.935 -9.158 740 HG2 GLU 49 2HG GLU 49 2.423 -4.954 -9.958 741 HG3 GLU 49 1HG GLU 49 2.786 -5.541 -8.332 742 H TYR 50 H TYR 50 3.265 -1.160 -6.135 743 HA TYR 50 HA TYR 50 2.603 1.045 -7.798 744 HB2 TYR 50 2HB TYR 50 1.756 1.056 -5.588 745 HB3 TYR 50 1HB TYR 50 3.355 0.782 -4.905 746 HD1 TYR 50 1HD TYR 50 1.482 3.267 -6.948 747 HD2 TYR 50 2HD TYR 50 4.520 2.552 -4.069 748 HE1 TYR 50 1HE TYR 50 1.731 5.690 -6.628 749 HE2 TYR 50 2HE TYR 50 4.787 4.988 -3.728 750 HH TYR 50 HH TYR 50 2.542 7.246 -4.921 751 H LEU 51 H LEU 51 5.457 -0.002 -5.991 752 HA LEU 51 HA LEU 51 7.161 2.062 -6.795 753 HB2 LEU 51 2HB LEU 51 7.558 -0.667 -5.726 754 HB3 LEU 51 1HB LEU 51 8.922 0.090 -6.517 755 HG LEU 51 HG LEU 51 9.402 0.968 -4.528 756 HD11 LEU 51 1HD1 LEU 51 8.212 2.999 -3.866 757 HD12 LEU 51 2HD1 LEU 51 6.919 2.601 -4.998 758 HD13 LEU 51 3HD1 LEU 51 8.539 2.955 -5.599 759 HD21 LEU 51 3HD2 LEU 51 7.809 0.970 -2.615 760 HD22 LEU 51 1HD2 LEU 51 8.065 -0.618 -3.349 761 HD23 LEU 51 2HD2 LEU 51 6.591 0.290 -3.701 762 H GLN 52 H GLN 52 6.337 -0.976 -8.392 763 HA GLN 52 HA GLN 52 8.327 -0.550 -10.435 764 HB2 GLN 52 2HB GLN 52 6.211 -2.595 -9.987 765 HB3 GLN 52 1HB GLN 52 6.820 -2.385 -11.623 766 HG2 GLN 52 2HG GLN 52 8.106 -4.093 -10.696 767 HG3 GLN 52 1HG GLN 52 9.136 -2.665 -10.652 768 HE21 GLN 52 1HE2 GLN 52 7.394 -4.997 -8.840 769 HE22 GLN 52 2HE2 GLN 52 7.989 -4.546 -7.278 770 H LYS 53 H LYS 53 4.979 0.214 -10.018 771 HA LYS 53 HA LYS 53 4.498 1.047 -12.711 772 HB2 LYS 53 2HB LYS 53 2.726 0.444 -11.065 773 HB3 LYS 53 1HB LYS 53 3.116 1.903 -10.174 774 HG2 LYS 53 2HG LYS 53 2.434 3.270 -12.044 775 HG3 LYS 53 1HG LYS 53 2.101 1.819 -12.998 776 HD2 LYS 53 2HD LYS 53 0.370 1.151 -11.461 777 HD3 LYS 53 1HD LYS 53 0.760 2.494 -10.384 778 HE2 LYS 53 2HE LYS 53 -0.273 2.754 -13.207 779 HE3 LYS 53 1HE LYS 53 -1.242 2.932 -11.744 780 HZ1 LYS 53 3HZ LYS 53 1.006 4.669 -12.623 781 HZ2 LYS 53 1HZ LYS 53 0.265 4.778 -11.096 782 HZ3 LYS 53 2HZ LYS 53 -0.632 5.090 -12.502 783 H ARG 54 H ARG 54 6.280 2.294 -10.138 784 HA ARG 54 HA ARG 54 6.041 5.044 -11.113 785 HB2 ARG 54 2HB ARG 54 5.630 4.095 -8.624 786 HB3 ARG 54 1HB ARG 54 7.347 4.449 -8.529 787 HG2 ARG 54 2HG ARG 54 6.485 6.456 -7.835 788 HG3 ARG 54 1HG ARG 54 6.562 6.743 -9.579 789 HD2 ARG 54 2HD ARG 54 4.274 6.351 -9.865 790 HD3 ARG 54 1HD ARG 54 4.120 5.594 -8.283 791 HE ARG 54 HE ARG 54 4.943 8.249 -7.915 792 HH11 ARG 54 1HH1 ARG 54 2.188 6.444 -9.069 793 HH12 ARG 54 2HH1 ARG 54 1.021 7.600 -8.521 794 HH21 ARG 54 1HH2 ARG 54 3.408 9.808 -7.197 795 HH22 ARG 54 2HH2 ARG 54 1.713 9.521 -7.480 796 H ASN 55 H ASN 55 8.504 3.261 -9.288 797 HA ASN 55 HA ASN 55 10.571 3.187 -11.071 798 HB2 ASN 55 2HB ASN 55 11.969 5.157 -10.109 799 HB3 ASN 55 1HB ASN 55 10.812 5.478 -11.391 800 HD21 ASN 55 1HD2 ASN 55 10.730 7.644 -10.809 801 HD22 ASN 55 2HD2 ASN 55 9.875 8.189 -9.408 802 H GLY 56 H GLY 56 10.215 4.392 -7.718 803 HA2 GLY 56 2HA GLY 56 10.533 2.965 -5.832 804 HA3 GLY 56 1HA GLY 56 11.601 1.969 -6.809 Start of MODEL 7 1 H LYS 11 H LYS 11 -10.731 11.046 3.119 2 HA LYS 11 HA LYS 11 -9.783 13.152 3.713 3 HB2 LYS 11 2HB LYS 11 -12.655 14.009 4.130 4 HB3 LYS 11 1HB LYS 11 -11.249 14.929 4.640 5 HG2 LYS 11 2HG LYS 11 -11.800 15.961 2.663 6 HG3 LYS 11 1HG LYS 11 -10.582 14.801 2.131 7 HD2 LYS 11 2HD LYS 11 -12.405 13.242 1.512 8 HD3 LYS 11 1HD LYS 11 -13.577 14.487 1.948 9 HE2 LYS 11 2HE LYS 11 -13.314 14.597 -0.401 10 HE3 LYS 11 1HE LYS 11 -12.449 15.980 0.267 11 HZ1 LYS 11 2HZ LYS 11 -10.375 14.851 -0.046 12 HZ2 LYS 11 3HZ LYS 11 -11.233 14.797 -1.506 13 HZ3 LYS 11 1HZ LYS 11 -11.158 13.423 -0.516 14 H GLN 12 H GLN 12 -12.629 11.579 5.178 15 HA GLN 12 HA GLN 12 -11.642 11.771 7.832 16 HB2 GLN 12 2HB GLN 12 -13.311 10.121 8.423 17 HB3 GLN 12 1HB GLN 12 -14.021 11.280 7.308 18 HG2 GLN 12 2HG GLN 12 -13.803 9.698 5.485 19 HG3 GLN 12 1HG GLN 12 -13.010 8.543 6.559 20 HE21 GLN 12 1HE2 GLN 12 -14.223 7.521 8.168 21 HE22 GLN 12 2HE2 GLN 12 -15.952 7.448 8.094 22 H LYS 13 H LYS 13 -10.370 10.373 9.011 23 HA LYS 13 HA LYS 13 -8.763 8.630 7.276 24 HB2 LYS 13 2HB LYS 13 -6.903 9.028 8.853 25 HB3 LYS 13 1HB LYS 13 -7.471 10.496 8.076 26 HG2 LYS 13 2HG LYS 13 -8.607 11.185 10.061 27 HG3 LYS 13 1HG LYS 13 -8.309 9.622 10.830 28 HD2 LYS 13 2HD LYS 13 -5.923 10.042 10.826 29 HD3 LYS 13 1HD LYS 13 -6.163 11.559 9.963 30 HE2 LYS 13 2HE LYS 13 -7.236 10.954 12.721 31 HE3 LYS 13 1HE LYS 13 -5.755 11.848 12.388 32 HZ1 LYS 13 3HZ LYS 13 -7.586 13.340 12.800 33 HZ2 LYS 13 1HZ LYS 13 -8.489 12.652 11.542 34 HZ3 LYS 13 2HZ LYS 13 -7.063 13.497 11.198 35 H ALA 14 H ALA 14 -7.783 6.789 8.127 36 HA ALA 14 HA ALA 14 -8.965 5.653 10.562 37 HB1 ALA 14 1HB ALA 14 -9.127 3.478 9.445 38 HB2 ALA 14 2HB ALA 14 -8.609 4.218 7.928 39 HB3 ALA 14 3HB ALA 14 -10.148 4.684 8.661 40 H VAL 15 H VAL 15 -7.603 3.623 11.176 41 HA VAL 15 HA VAL 15 -4.768 4.311 10.739 42 HB VAL 15 HB VAL 15 -5.681 2.551 12.969 43 HG11 VAL 15 1HG1 VAL 15 -3.357 4.439 12.700 44 HG12 VAL 15 2HG1 VAL 15 -3.302 2.685 12.525 45 HG13 VAL 15 3HG1 VAL 15 -3.688 3.403 14.089 46 HG21 VAL 15 3HG2 VAL 15 -7.086 4.502 13.191 47 HG22 VAL 15 1HG2 VAL 15 -5.677 5.558 13.051 48 HG23 VAL 15 2HG2 VAL 15 -5.855 4.499 14.453 49 H PHE 16 H PHE 16 -3.291 2.440 10.774 50 HA PHE 16 HA PHE 16 -4.441 -0.128 10.078 51 HB2 PHE 16 2HB PHE 16 -4.205 1.435 7.990 52 HB3 PHE 16 1HB PHE 16 -2.493 1.051 8.129 53 HD1 PHE 16 1HD PHE 16 -5.547 -1.013 8.610 54 HD2 PHE 16 2HD PHE 16 -1.943 -0.407 6.439 55 HE1 PHE 16 1HE PHE 16 -5.966 -3.089 7.352 56 HE2 PHE 16 2HE PHE 16 -2.352 -2.480 5.178 57 HZ PHE 16 HZ PHE 16 -4.359 -3.820 5.634 58 H GLY 17 H GLY 17 -3.275 -1.589 11.105 59 HA2 GLY 17 2HA GLY 17 -0.393 -1.073 11.510 60 HA3 GLY 17 1HA GLY 17 -1.413 -1.661 12.818 61 H ILE 18 H ILE 18 0.382 -2.491 10.006 62 HA ILE 18 HA ILE 18 -0.512 -5.288 10.253 63 HB ILE 18 HB ILE 18 -0.195 -5.562 7.838 64 HG12 ILE 18 2HG1 ILE 18 0.000 -2.548 7.690 65 HG13 ILE 18 1HG1 ILE 18 1.416 -3.600 7.635 66 HG21 ILE 18 1HG2 ILE 18 -2.404 -5.131 8.715 67 HG22 ILE 18 2HG2 ILE 18 -2.213 -4.329 7.155 68 HG23 ILE 18 3HG2 ILE 18 -2.115 -3.392 8.647 69 HD11 ILE 18 3HD1 ILE 18 0.718 -2.909 5.413 70 HD12 ILE 18 1HD1 ILE 18 -0.877 -3.606 5.689 71 HD13 ILE 18 2HD1 ILE 18 0.541 -4.652 5.619 72 H TYR 19 H TYR 19 1.072 -6.770 9.044 73 HA TYR 19 HA TYR 19 3.810 -5.935 9.713 74 HB2 TYR 19 2HB TYR 19 2.609 -8.714 9.844 75 HB3 TYR 19 1HB TYR 19 4.294 -8.321 10.164 76 HD1 TYR 19 2HD TYR 19 4.731 -6.604 12.076 77 HD2 TYR 19 1HD TYR 19 1.075 -8.732 11.586 78 HE1 TYR 19 2HE TYR 19 4.182 -6.196 14.431 79 HE2 TYR 19 1HE TYR 19 0.515 -8.319 13.948 80 HH TYR 19 HH TYR 19 1.681 -7.808 16.062 81 H MET 20 H MET 20 4.680 -5.391 7.831 82 HA MET 20 HA MET 20 4.263 -7.145 5.491 83 HB2 MET 20 2HB MET 20 4.606 -5.144 4.084 84 HB3 MET 20 1HB MET 20 3.235 -4.939 5.168 85 HG2 MET 20 2HG MET 20 4.821 -3.702 6.709 86 HG3 MET 20 1HG MET 20 5.964 -3.688 5.361 87 HE1 MET 20 3HE MET 20 3.998 -1.619 2.662 88 HE2 MET 20 1HE MET 20 4.156 -3.366 2.848 89 HE3 MET 20 2HE MET 20 5.562 -2.326 3.081 90 H ASP 21 H ASP 21 6.103 -7.299 3.980 91 HA ASP 21 HA ASP 21 8.477 -7.981 5.271 92 HB2 ASP 21 2HB ASP 21 7.715 -7.612 2.413 93 HB3 ASP 21 1HB ASP 21 9.423 -7.621 2.810 94 H LYS 22 H LYS 22 10.630 -7.096 4.992 95 HA LYS 22 HA LYS 22 10.621 -4.302 5.610 96 HB2 LYS 22 2HB LYS 22 12.155 -5.732 6.824 97 HB3 LYS 22 1HB LYS 22 12.873 -6.301 5.322 98 HG2 LYS 22 2HG LYS 22 13.746 -4.071 4.876 99 HG3 LYS 22 1HG LYS 22 13.007 -3.478 6.363 100 HD2 LYS 22 2HD LYS 22 14.431 -4.864 7.700 101 HD3 LYS 22 1HD LYS 22 15.063 -5.681 6.269 102 HE2 LYS 22 2HE LYS 22 15.378 -2.734 6.817 103 HE3 LYS 22 1HE LYS 22 16.587 -3.950 7.233 104 HZ1 LYS 22 3HZ LYS 22 17.005 -2.803 5.091 105 HZ2 LYS 22 1HZ LYS 22 15.580 -3.478 4.475 106 HZ3 LYS 22 2HZ LYS 22 16.865 -4.483 4.932 107 H ASP 23 H ASP 23 12.421 -6.205 3.209 108 HA ASP 23 HA ASP 23 13.613 -4.191 1.819 109 HB2 ASP 23 2HB ASP 23 14.094 -6.533 1.391 110 HB3 ASP 23 1HB ASP 23 12.497 -6.757 0.689 111 H LEU 24 H LEU 24 10.356 -5.381 1.387 112 HA LEU 24 HA LEU 24 9.750 -3.832 -0.906 113 HB2 LEU 24 2HB LEU 24 8.597 -5.866 -0.525 114 HB3 LEU 24 1HB LEU 24 8.164 -5.396 1.103 115 HG LEU 24 HG LEU 24 6.383 -5.453 -0.787 116 HD11 LEU 24 1HD1 LEU 24 5.137 -3.754 0.425 117 HD12 LEU 24 2HD1 LEU 24 6.639 -3.189 1.174 118 HD13 LEU 24 3HD1 LEU 24 6.036 -4.812 1.515 119 HD21 LEU 24 3HD2 LEU 24 7.306 -2.610 -1.120 120 HD22 LEU 24 1HD2 LEU 24 6.068 -3.476 -2.034 121 HD23 LEU 24 2HD2 LEU 24 7.772 -3.891 -2.235 122 H LYS 25 H LYS 25 8.703 -3.504 2.528 123 HA LYS 25 HA LYS 25 7.459 -1.001 2.198 124 HB2 LYS 25 2HB LYS 25 7.325 -2.600 4.190 125 HB3 LYS 25 1HB LYS 25 8.872 -1.943 4.706 126 HG2 LYS 25 2HG LYS 25 7.832 0.309 4.756 127 HG3 LYS 25 1HG LYS 25 6.285 -0.454 4.386 128 HD2 LYS 25 2HD LYS 25 6.143 -0.367 6.664 129 HD3 LYS 25 1HD LYS 25 6.906 -1.945 6.465 130 HE2 LYS 25 2HE LYS 25 8.412 0.617 6.968 131 HE3 LYS 25 1HE LYS 25 7.930 -0.504 8.239 132 HZ1 LYS 25 3HZ LYS 25 9.234 -2.223 6.965 133 HZ2 LYS 25 1HZ LYS 25 10.146 -1.005 7.709 134 HZ3 LYS 25 2HZ LYS 25 9.862 -0.952 6.043 135 H THR 26 H THR 26 10.740 -1.991 2.682 136 HA THR 26 HA THR 26 11.810 0.558 3.443 137 HB THR 26 HB THR 26 13.133 -2.015 2.548 138 HG1 THR 26 1HG THR 26 12.684 -0.785 5.082 139 HG21 THR 26 3HG2 THR 26 14.597 -0.106 2.036 140 HG22 THR 26 1HG2 THR 26 15.238 -1.068 3.367 141 HG23 THR 26 2HG2 THR 26 14.432 0.467 3.697 142 H ARG 27 H ARG 27 11.616 -1.294 0.467 143 HA ARG 27 HA ARG 27 13.032 0.377 -1.247 144 HB2 ARG 27 2HB ARG 27 12.331 -1.661 -2.167 145 HB3 ARG 27 1HB ARG 27 10.687 -1.470 -1.584 146 HG2 ARG 27 2HG ARG 27 10.686 -1.249 -3.952 147 HG3 ARG 27 1HG ARG 27 10.358 0.329 -3.231 148 HD2 ARG 27 2HD ARG 27 11.897 0.592 -5.077 149 HD3 ARG 27 1HD ARG 27 12.742 0.927 -3.564 150 HE ARG 27 HE ARG 27 13.098 -1.782 -4.195 151 HH11 ARG 27 1HH1 ARG 27 14.009 1.366 -5.469 152 HH12 ARG 27 2HH1 ARG 27 15.491 0.775 -6.160 153 HH21 ARG 27 1HH2 ARG 27 15.024 -2.532 -5.101 154 HH22 ARG 27 2HH2 ARG 27 16.081 -1.435 -5.942 155 H LEU 28 H LEU 28 9.589 0.398 -0.454 156 HA LEU 28 HA LEU 28 8.902 2.787 -1.722 157 HB2 LEU 28 2HB LEU 28 7.385 1.019 -0.827 158 HB3 LEU 28 1HB LEU 28 7.697 1.627 0.784 159 HG LEU 28 HG LEU 28 5.523 2.301 -0.381 160 HD11 LEU 28 1HD1 LEU 28 5.521 4.438 0.713 161 HD12 LEU 28 2HD1 LEU 28 7.286 4.467 0.728 162 HD13 LEU 28 3HD1 LEU 28 6.417 3.271 1.692 163 HD21 LEU 28 3HD2 LEU 28 5.660 4.271 -1.809 164 HD22 LEU 28 1HD2 LEU 28 6.524 2.912 -2.530 165 HD23 LEU 28 2HD2 LEU 28 7.423 4.210 -1.743 166 H LYS 29 H LYS 29 10.190 2.187 1.529 167 HA LYS 29 HA LYS 29 9.969 4.765 2.561 168 HB2 LYS 29 2HB LYS 29 10.626 2.841 3.922 169 HB3 LYS 29 1HB LYS 29 12.137 2.712 3.039 170 HG2 LYS 29 2HG LYS 29 11.470 5.211 4.541 171 HG3 LYS 29 1HG LYS 29 12.115 3.801 5.378 172 HD2 LYS 29 2HD LYS 29 14.119 3.856 4.111 173 HD3 LYS 29 1HD LYS 29 13.450 5.026 2.972 174 HE2 LYS 29 2HE LYS 29 15.000 6.109 4.494 175 HE3 LYS 29 1HE LYS 29 13.361 6.702 4.759 176 HZ1 LYS 29 3HZ LYS 29 14.476 6.288 6.848 177 HZ2 LYS 29 1HZ LYS 29 14.775 4.677 6.418 178 HZ3 LYS 29 2HZ LYS 29 13.182 5.209 6.667 179 H VAL 30 H VAL 30 12.421 3.334 0.505 180 HA VAL 30 HA VAL 30 14.113 5.600 0.380 181 HB VAL 30 HB VAL 30 13.809 3.290 -1.512 182 HG11 VAL 30 1HG1 VAL 30 16.038 5.308 -1.283 183 HG12 VAL 30 2HG1 VAL 30 14.908 5.144 -2.628 184 HG13 VAL 30 3HG1 VAL 30 16.068 3.859 -2.290 185 HG21 VAL 30 3HG2 VAL 30 15.676 2.328 -0.320 186 HG22 VAL 30 1HG2 VAL 30 14.370 2.710 0.806 187 HG23 VAL 30 2HG2 VAL 30 15.785 3.760 0.708 188 H TYR 31 H TYR 31 11.377 4.525 -1.438 189 HA TYR 31 HA TYR 31 11.471 6.440 -3.495 190 HB2 TYR 31 2HB TYR 31 10.050 4.470 -3.622 191 HB3 TYR 31 1HB TYR 31 9.128 5.014 -2.221 192 HD1 TYR 31 1HD TYR 31 10.069 6.072 -5.657 193 HD2 TYR 31 2HD TYR 31 7.193 6.235 -2.536 194 HE1 TYR 31 1HE TYR 31 8.541 7.264 -7.138 195 HE2 TYR 31 2HE TYR 31 5.651 7.432 -4.009 196 HH TYR 31 HH TYR 31 5.697 8.804 -6.003 197 H CYS 32 H CYS 32 10.112 6.420 -0.253 198 HA CYS 32 HA CYS 32 8.945 9.030 -0.429 199 HB2 CYS 32 2HB CYS 32 9.658 7.376 1.996 200 HB3 CYS 32 1HB CYS 32 8.629 8.799 2.001 201 HG CYS 32 HG CYS 32 7.949 5.777 0.566 202 H ALA 33 H ALA 33 12.093 7.844 0.089 203 HA ALA 33 HA ALA 33 13.051 10.236 1.405 204 HB1 ALA 33 1HB ALA 33 14.580 7.911 0.247 205 HB2 ALA 33 2HB ALA 33 14.025 8.040 1.915 206 HB3 ALA 33 3HB ALA 33 15.232 9.170 1.296 207 H LYS 34 H LYS 34 12.981 8.795 -1.773 208 HA LYS 34 HA LYS 34 14.706 10.663 -3.019 209 HB2 LYS 34 2HB LYS 34 14.290 8.401 -3.922 210 HB3 LYS 34 1HB LYS 34 12.619 8.847 -4.234 211 HG2 LYS 34 2HG LYS 34 13.449 10.619 -5.769 212 HG3 LYS 34 1HG LYS 34 15.073 9.983 -5.535 213 HD2 LYS 34 2HD LYS 34 12.773 8.329 -6.565 214 HD3 LYS 34 1HD LYS 34 13.891 9.195 -7.615 215 HE2 LYS 34 2HE LYS 34 14.778 7.055 -7.560 216 HE3 LYS 34 1HE LYS 34 15.731 7.909 -6.352 217 HZ1 LYS 34 3HZ LYS 34 15.124 5.801 -5.472 218 HZ2 LYS 34 1HZ LYS 34 13.486 6.022 -5.866 219 HZ3 LYS 34 2HZ LYS 34 14.209 6.961 -4.651 220 H ASN 35 H ASN 35 11.200 10.341 -2.837 221 HA ASN 35 HA ASN 35 10.884 12.866 -4.273 222 HB2 ASN 35 2HB ASN 35 8.862 10.840 -3.294 223 HB3 ASN 35 1HB ASN 35 8.448 12.317 -4.154 224 HD21 ASN 35 1HD2 ASN 35 9.946 9.188 -4.396 225 HD22 ASN 35 2HD2 ASN 35 9.950 9.104 -6.130 226 H ASN 36 H ASN 36 11.653 12.118 -1.285 227 HA ASN 36 HA ASN 36 11.237 12.843 0.838 228 HB2 ASN 36 2HB ASN 36 10.600 15.267 -0.812 229 HB3 ASN 36 1HB ASN 36 10.511 15.316 0.946 230 HD21 ASN 36 1HD2 ASN 36 12.259 16.763 -0.865 231 HD22 ASN 36 2HD2 ASN 36 13.879 16.364 -0.393 232 H LEU 37 H LEU 37 9.009 11.537 -0.645 233 HA LEU 37 HA LEU 37 6.556 12.710 0.195 234 HB2 LEU 37 2HB LEU 37 7.406 10.410 -1.317 235 HB3 LEU 37 1HB LEU 37 6.164 9.959 -0.162 236 HG LEU 37 HG LEU 37 4.644 11.613 -1.089 237 HD11 LEU 37 1HD1 LEU 37 5.213 12.858 -3.104 238 HD12 LEU 37 2HD1 LEU 37 6.858 12.220 -3.038 239 HD13 LEU 37 3HD1 LEU 37 6.273 13.289 -1.763 240 HD21 LEU 37 3HD2 LEU 37 4.641 9.376 -2.039 241 HD22 LEU 37 1HD2 LEU 37 5.897 9.845 -3.185 242 HD23 LEU 37 2HD2 LEU 37 4.296 10.579 -3.283 243 H GLN 38 H GLN 38 5.023 11.654 1.607 244 HA GLN 38 HA GLN 38 6.231 10.775 4.091 245 HB2 GLN 38 2HB GLN 38 3.336 11.203 3.320 246 HB3 GLN 38 1HB GLN 38 3.898 10.791 4.935 247 HG2 GLN 38 2HG GLN 38 5.055 12.875 5.130 248 HG3 GLN 38 1HG GLN 38 4.708 13.266 3.446 249 HE21 GLN 38 1HE2 GLN 38 2.648 13.921 2.860 250 HE22 GLN 38 2HE2 GLN 38 1.469 14.415 4.024 251 H LEU 39 H LEU 39 6.285 8.711 4.788 252 HA LEU 39 HA LEU 39 6.021 6.507 3.203 253 HB2 LEU 39 2HB LEU 39 6.411 6.990 5.951 254 HB3 LEU 39 1HB LEU 39 5.153 5.777 5.832 255 HG LEU 39 HG LEU 39 7.203 4.612 6.041 256 HD11 LEU 39 1HD1 LEU 39 6.386 4.626 3.146 257 HD12 LEU 39 2HD1 LEU 39 5.722 3.616 4.432 258 HD13 LEU 39 3HD1 LEU 39 7.393 3.399 3.917 259 HD21 LEU 39 3HD2 LEU 39 8.267 6.305 3.785 260 HD22 LEU 39 1HD2 LEU 39 9.120 4.974 4.569 261 HD23 LEU 39 2HD2 LEU 39 8.724 6.430 5.484 262 H THR 40 H THR 40 3.510 7.784 5.361 263 HA THR 40 HA THR 40 1.554 5.872 4.759 264 HB THR 40 HB THR 40 1.039 8.733 5.551 265 HG1 THR 40 1HG THR 40 2.515 7.895 7.023 266 HG21 THR 40 3HG2 THR 40 -0.960 7.472 4.944 267 HG22 THR 40 1HG2 THR 40 -0.930 7.804 6.676 268 HG23 THR 40 2HG2 THR 40 -0.510 6.197 6.081 269 H GLN 41 H GLN 41 2.105 9.110 3.436 270 HA GLN 41 HA GLN 41 -0.033 9.216 1.663 271 HB2 GLN 41 2HB GLN 41 1.571 11.059 2.327 272 HB3 GLN 41 1HB GLN 41 2.707 10.382 1.173 273 HG2 GLN 41 2HG GLN 41 1.122 10.783 -0.635 274 HG3 GLN 41 1HG GLN 41 -0.036 11.440 0.522 275 HE21 GLN 41 1HE2 GLN 41 2.898 11.991 -1.216 276 HE22 GLN 41 2HE2 GLN 41 3.065 13.670 -0.824 277 H ALA 42 H ALA 42 3.159 7.781 1.325 278 HA ALA 42 HA ALA 42 2.970 7.126 -1.435 279 HB1 ALA 42 1HB ALA 42 4.885 5.728 -1.042 280 HB2 ALA 42 2HB ALA 42 4.623 5.813 0.699 281 HB3 ALA 42 3HB ALA 42 5.084 7.262 -0.197 282 H ILE 43 H ILE 43 2.398 5.234 1.542 283 HA ILE 43 HA ILE 43 1.637 2.836 0.320 284 HB ILE 43 HB ILE 43 1.132 4.080 2.962 285 HG12 ILE 43 2HG1 ILE 43 1.850 1.804 3.714 286 HG13 ILE 43 1HG1 ILE 43 1.996 1.337 2.025 287 HG21 ILE 43 1HG2 ILE 43 -0.508 2.415 3.638 288 HG22 ILE 43 2HG2 ILE 43 -0.576 1.795 1.984 289 HG23 ILE 43 3HG2 ILE 43 -1.126 3.441 2.337 290 HD11 ILE 43 3HD1 ILE 43 3.596 3.420 3.483 291 HD12 ILE 43 1HD1 ILE 43 3.671 3.150 1.739 292 HD13 ILE 43 2HD1 ILE 43 4.159 1.873 2.852 293 H GLU 44 H GLU 44 -0.318 5.650 1.193 294 HA GLU 44 HA GLU 44 -2.787 4.601 0.356 295 HB2 GLU 44 2HB GLU 44 -1.861 7.471 0.511 296 HB3 GLU 44 1HB GLU 44 -3.530 6.979 0.268 297 HG2 GLU 44 2HG GLU 44 -3.421 5.781 2.437 298 HG3 GLU 44 1HG GLU 44 -1.817 6.458 2.679 299 H GLU 45 H GLU 45 -0.399 6.559 -1.401 300 HA GLU 45 HA GLU 45 -1.748 6.634 -3.870 301 HB2 GLU 45 2HB GLU 45 1.192 6.674 -3.173 302 HB3 GLU 45 1HB GLU 45 0.610 6.851 -4.820 303 HG2 GLU 45 2HG GLU 45 -0.385 8.668 -2.671 304 HG3 GLU 45 1HG GLU 45 1.183 8.948 -3.427 305 H ALA 46 H ALA 46 0.451 4.296 -2.421 306 HA ALA 46 HA ALA 46 0.802 2.625 -4.638 307 HB1 ALA 46 1HB ALA 46 2.173 2.559 -2.572 308 HB2 ALA 46 2HB ALA 46 1.589 0.968 -3.069 309 HB3 ALA 46 3HB ALA 46 0.811 1.821 -1.727 310 H ILE 47 H ILE 47 -1.402 2.326 -1.876 311 HA ILE 47 HA ILE 47 -2.697 0.047 -2.877 312 HB ILE 47 HB ILE 47 -2.542 0.596 -0.497 313 HG12 ILE 47 2HG1 ILE 47 -5.423 0.521 -1.364 314 HG13 ILE 47 1HG1 ILE 47 -4.355 -0.878 -1.390 315 HG21 ILE 47 1HG2 ILE 47 -4.417 2.839 -1.166 316 HG22 ILE 47 2HG2 ILE 47 -2.769 2.973 -0.542 317 HG23 ILE 47 3HG2 ILE 47 -4.047 2.290 0.470 318 HD11 ILE 47 3HD1 ILE 47 -5.624 -1.001 0.594 319 HD12 ILE 47 1HD1 ILE 47 -5.270 0.683 1.003 320 HD13 ILE 47 2HD1 ILE 47 -3.988 -0.527 1.053 321 H LYS 48 H LYS 48 -3.141 3.452 -3.350 322 HA LYS 48 HA LYS 48 -5.818 3.338 -4.295 323 HB2 LYS 48 2HB LYS 48 -4.869 5.439 -3.527 324 HB3 LYS 48 1HB LYS 48 -3.602 5.344 -4.734 325 HG2 LYS 48 2HG LYS 48 -4.926 6.782 -5.835 326 HG3 LYS 48 1HG LYS 48 -5.742 5.306 -6.344 327 HD2 LYS 48 2HD LYS 48 -6.559 6.861 -3.901 328 HD3 LYS 48 1HD LYS 48 -7.212 7.191 -5.506 329 HE2 LYS 48 2HE LYS 48 -8.027 4.877 -5.632 330 HE3 LYS 48 1HE LYS 48 -7.399 4.579 -4.013 331 HZ1 LYS 48 3HZ LYS 48 -9.527 6.517 -4.751 332 HZ2 LYS 48 1HZ LYS 48 -8.874 6.354 -3.195 333 HZ3 LYS 48 2HZ LYS 48 -9.736 5.071 -3.892 334 H GLU 49 H GLU 49 -2.757 3.868 -6.069 335 HA GLU 49 HA GLU 49 -3.760 3.398 -8.616 336 HB2 GLU 49 2HB GLU 49 -1.033 3.297 -7.397 337 HB3 GLU 49 1HB GLU 49 -1.248 2.628 -9.008 338 HG2 GLU 49 2HG GLU 49 -0.498 4.868 -9.253 339 HG3 GLU 49 1HG GLU 49 -2.191 4.821 -9.717 340 H TYR 50 H TYR 50 -3.081 1.208 -6.104 341 HA TYR 50 HA TYR 50 -2.548 -1.090 -7.643 342 HB2 TYR 50 2HB TYR 50 -1.863 -0.953 -5.340 343 HB3 TYR 50 1HB TYR 50 -3.526 -0.707 -4.821 344 HD1 TYR 50 1HD TYR 50 -1.574 -3.171 -6.802 345 HD2 TYR 50 2HD TYR 50 -4.558 -2.481 -3.873 346 HE1 TYR 50 1HE TYR 50 -1.775 -5.595 -6.466 347 HE2 TYR 50 2HE TYR 50 -4.780 -4.921 -3.510 348 HH TYR 50 HH TYR 50 -2.539 -7.162 -4.741 349 H LEU 51 H LEU 51 -5.421 0.043 -5.915 350 HA LEU 51 HA LEU 51 -7.145 -1.967 -6.788 351 HB2 LEU 51 2HB LEU 51 -7.490 0.741 -5.661 352 HB3 LEU 51 1HB LEU 51 -8.865 0.049 -6.488 353 HG LEU 51 HG LEU 51 -9.395 -0.892 -4.540 354 HD11 LEU 51 1HD1 LEU 51 -8.242 -2.945 -3.901 355 HD12 LEU 51 2HD1 LEU 51 -6.911 -2.533 -4.981 356 HD13 LEU 51 3HD1 LEU 51 -8.514 -2.863 -5.641 357 HD21 LEU 51 3HD2 LEU 51 -7.889 -0.913 -2.588 358 HD22 LEU 51 1HD2 LEU 51 -8.018 0.679 -3.343 359 HD23 LEU 51 2HD2 LEU 51 -6.587 -0.317 -3.622 360 H GLN 52 H GLN 52 -6.185 1.047 -8.307 361 HA GLN 52 HA GLN 52 -8.157 0.820 -10.382 362 HB2 GLN 52 2HB GLN 52 -5.846 2.640 -9.879 363 HB3 GLN 52 1HB GLN 52 -6.499 2.550 -11.508 364 HG2 GLN 52 2HG GLN 52 -7.544 4.377 -10.417 365 HG3 GLN 52 1HG GLN 52 -8.740 3.092 -10.567 366 HE21 GLN 52 1HE2 GLN 52 -6.738 4.915 -8.410 367 HE22 GLN 52 2HE2 GLN 52 -7.501 4.397 -6.946 368 H LYS 53 H LYS 53 -4.768 -0.041 -10.044 369 HA LYS 53 HA LYS 53 -4.392 -0.860 -12.741 370 HB2 LYS 53 2HB LYS 53 -2.548 -0.310 -11.184 371 HB3 LYS 53 1HB LYS 53 -2.921 -1.760 -10.266 372 HG2 LYS 53 2HG LYS 53 -2.440 -3.104 -12.287 373 HG3 LYS 53 1HG LYS 53 -1.952 -1.618 -13.107 374 HD2 LYS 53 2HD LYS 53 -0.217 -1.261 -11.425 375 HD3 LYS 53 1HD LYS 53 -0.706 -2.742 -10.598 376 HE2 LYS 53 2HE LYS 53 0.405 -2.530 -13.396 377 HE3 LYS 53 1HE LYS 53 1.256 -3.138 -11.977 378 HZ1 LYS 53 3HZ LYS 53 0.459 -4.975 -13.267 379 HZ2 LYS 53 1HZ LYS 53 -1.120 -4.359 -13.282 380 HZ3 LYS 53 2HZ LYS 53 -0.441 -4.909 -11.832 381 H ARG 54 H ARG 54 -6.032 -2.187 -10.107 382 HA ARG 54 HA ARG 54 -5.790 -4.903 -11.155 383 HB2 ARG 54 2HB ARG 54 -5.452 -3.955 -8.632 384 HB3 ARG 54 1HB ARG 54 -7.141 -4.417 -8.582 385 HG2 ARG 54 2HG ARG 54 -6.139 -6.361 -7.879 386 HG3 ARG 54 1HG ARG 54 -6.233 -6.655 -9.618 387 HD2 ARG 54 2HD ARG 54 -3.971 -6.221 -9.944 388 HD3 ARG 54 1HD ARG 54 -3.823 -5.356 -8.419 389 HE ARG 54 HE ARG 54 -4.503 -8.114 -8.045 390 HH11 ARG 54 1HH1 ARG 54 -1.828 -5.972 -8.747 391 HH12 ARG 54 2HH1 ARG 54 -0.646 -6.930 -7.900 392 HH21 ARG 54 1HH2 ARG 54 -2.956 -9.422 -6.957 393 HH22 ARG 54 2HH2 ARG 54 -1.289 -8.912 -6.898 394 H ASN 55 H ASN 55 -8.325 -3.210 -9.327 395 HA ASN 55 HA ASN 55 -10.297 -3.064 -11.226 396 HB2 ASN 55 2HB ASN 55 -11.750 -5.049 -10.416 397 HB3 ASN 55 1HB ASN 55 -10.492 -5.352 -11.603 398 HD21 ASN 55 1HD2 ASN 55 -10.340 -7.506 -11.094 399 HD22 ASN 55 2HD2 ASN 55 -9.630 -8.075 -9.621 400 H GLY 56 H GLY 56 -10.034 -4.246 -7.860 401 HA2 GLY 56 2HA GLY 56 -10.522 -2.853 -5.991 402 HA3 GLY 56 1HA GLY 56 -11.557 -1.888 -7.028 403 H LYS 11 H LYS 11 10.722 -11.027 3.319 404 HA LYS 11 HA LYS 11 9.757 -13.121 3.924 405 HB2 LYS 11 2HB LYS 11 12.621 -13.991 4.367 406 HB3 LYS 11 1HB LYS 11 11.206 -14.899 4.877 407 HG2 LYS 11 2HG LYS 11 11.772 -15.954 2.911 408 HG3 LYS 11 1HG LYS 11 10.555 -14.799 2.362 409 HD2 LYS 11 2HD LYS 11 12.382 -13.246 1.736 410 HD3 LYS 11 1HD LYS 11 13.550 -14.486 2.191 411 HE2 LYS 11 2HE LYS 11 13.300 -14.604 -0.164 412 HE3 LYS 11 1HE LYS 11 12.452 -15.995 0.510 413 HZ1 LYS 11 2HZ LYS 11 10.367 -14.895 0.196 414 HZ2 LYS 11 3HZ LYS 11 11.217 -14.841 -1.268 415 HZ3 LYS 11 1HZ LYS 11 11.129 -13.457 -0.294 416 H GLN 12 H GLN 12 12.601 -11.546 5.385 417 HA GLN 12 HA GLN 12 11.595 -11.706 8.035 418 HB2 GLN 12 2HB GLN 12 13.264 -10.057 8.620 419 HB3 GLN 12 1HB GLN 12 13.973 -11.225 7.520 420 HG2 GLN 12 2HG GLN 12 13.774 -9.662 5.683 421 HG3 GLN 12 1HG GLN 12 12.979 -8.495 6.740 422 HE21 GLN 12 1HE2 GLN 12 14.185 -7.461 8.356 423 HE22 GLN 12 2HE2 GLN 12 15.920 -7.390 8.279 424 H LYS 13 H LYS 13 10.314 -10.290 9.195 425 HA LYS 13 HA LYS 13 8.730 -8.566 7.421 426 HB2 LYS 13 2HB LYS 13 6.854 -8.949 8.984 427 HB3 LYS 13 1HB LYS 13 7.433 -10.427 8.235 428 HG2 LYS 13 2HG LYS 13 8.547 -11.088 10.239 429 HG3 LYS 13 1HG LYS 13 8.248 -9.513 10.985 430 HD2 LYS 13 2HD LYS 13 5.865 -9.929 10.979 431 HD3 LYS 13 1HD LYS 13 6.103 -11.453 10.128 432 HE2 LYS 13 2HE LYS 13 7.166 -10.831 12.887 433 HE3 LYS 13 1HE LYS 13 5.688 -11.731 12.554 434 HZ1 LYS 13 3HZ LYS 13 7.547 -13.204 12.987 435 HZ2 LYS 13 1HZ LYS 13 8.422 -12.533 11.700 436 HZ3 LYS 13 2HZ LYS 13 6.993 -13.396 11.397 437 H ALA 14 H ALA 14 7.729 -6.714 8.261 438 HA ALA 14 HA ALA 14 8.911 -5.550 10.686 439 HB1 ALA 14 1HB ALA 14 9.084 -3.391 9.536 440 HB2 ALA 14 2HB ALA 14 8.574 -4.153 8.028 441 HB3 ALA 14 3HB ALA 14 10.105 -4.611 8.780 442 H VAL 15 H VAL 15 7.548 -3.511 11.265 443 HA VAL 15 HA VAL 15 4.710 -4.206 10.820 444 HB VAL 15 HB VAL 15 5.613 -2.423 13.037 445 HG11 VAL 15 1HG1 VAL 15 3.292 -4.313 12.778 446 HG12 VAL 15 2HG1 VAL 15 3.241 -2.561 12.575 447 HG13 VAL 15 3HG1 VAL 15 3.616 -3.254 14.152 448 HG21 VAL 15 3HG2 VAL 15 7.013 -4.373 13.294 449 HG22 VAL 15 1HG2 VAL 15 5.605 -5.430 13.152 450 HG23 VAL 15 2HG2 VAL 15 5.770 -4.356 14.545 451 H PHE 16 H PHE 16 3.231 -2.329 10.824 452 HA PHE 16 HA PHE 16 4.401 0.228 10.113 453 HB2 PHE 16 2HB PHE 16 4.171 -1.357 8.040 454 HB3 PHE 16 1HB PHE 16 2.461 -0.966 8.163 455 HD1 PHE 16 1HD PHE 16 5.519 1.096 8.637 456 HD2 PHE 16 2HD PHE 16 1.925 0.474 6.452 457 HE1 PHE 16 1HE PHE 16 5.946 3.156 7.358 458 HE2 PHE 16 2HE PHE 16 2.345 2.530 5.172 459 HZ PHE 16 HZ PHE 16 4.351 3.872 5.624 460 H GLY 17 H GLY 17 3.231 1.702 11.120 461 HA2 GLY 17 2HA GLY 17 0.345 1.193 11.509 462 HA3 GLY 17 1HA GLY 17 1.357 1.801 12.814 463 H ILE 18 H ILE 18 -0.423 2.595 9.984 464 HA ILE 18 HA ILE 18 0.475 5.393 10.206 465 HB ILE 18 HB ILE 18 0.173 5.643 7.784 466 HG12 ILE 18 2HG1 ILE 18 -0.030 2.629 7.674 467 HG13 ILE 18 1HG1 ILE 18 -1.441 3.684 7.592 468 HG21 ILE 18 1HG2 ILE 18 2.374 5.216 8.681 469 HG22 ILE 18 2HG2 ILE 18 2.193 4.396 7.127 470 HG23 ILE 18 3HG2 ILE 18 2.083 3.478 8.632 471 HD11 ILE 18 3HD1 ILE 18 -0.730 2.962 5.387 472 HD12 ILE 18 1HD1 ILE 18 0.870 3.646 5.668 473 HD13 ILE 18 2HD1 ILE 18 -0.536 4.706 5.569 474 H TYR 19 H TYR 19 -1.102 6.866 8.982 475 HA TYR 19 HA TYR 19 -3.847 6.037 9.631 476 HB2 TYR 19 2HB TYR 19 -2.646 8.816 9.734 477 HB3 TYR 19 1HB TYR 19 -4.333 8.426 10.053 478 HD1 TYR 19 2HD TYR 19 -4.778 6.729 11.986 479 HD2 TYR 19 1HD TYR 19 -1.120 8.858 11.482 480 HE1 TYR 19 2HE TYR 19 -4.233 6.347 14.347 481 HE2 TYR 19 1HE TYR 19 -0.567 8.469 13.849 482 HH TYR 19 HH TYR 19 -1.838 8.000 15.988 483 H MET 20 H MET 20 -4.702 5.473 7.748 484 HA MET 20 HA MET 20 -4.269 7.205 5.397 485 HB2 MET 20 2HB MET 20 -4.608 5.192 4.010 486 HB3 MET 20 1HB MET 20 -3.241 4.996 5.101 487 HG2 MET 20 2HG MET 20 -4.842 3.771 6.645 488 HG3 MET 20 1HG MET 20 -5.972 3.747 5.289 489 HE1 MET 20 3HE MET 20 -3.995 1.654 2.625 490 HE2 MET 20 1HE MET 20 -4.151 3.401 2.794 491 HE3 MET 20 2HE MET 20 -5.561 2.363 3.028 492 H ASP 21 H ASP 21 -6.103 7.344 3.873 493 HA ASP 21 HA ASP 21 -8.482 8.044 5.150 494 HB2 ASP 21 2HB ASP 21 -7.704 7.639 2.302 495 HB3 ASP 21 1HB ASP 21 -9.415 7.674 2.690 496 H LYS 22 H LYS 22 -10.637 7.159 4.857 497 HA LYS 22 HA LYS 22 -10.633 4.369 5.503 498 HB2 LYS 22 2HB LYS 22 -12.170 5.815 6.697 499 HB3 LYS 22 1HB LYS 22 -12.880 6.369 5.182 500 HG2 LYS 22 2HG LYS 22 -13.751 4.136 4.755 501 HG3 LYS 22 1HG LYS 22 -13.017 3.557 6.251 502 HD2 LYS 22 2HD LYS 22 -14.441 4.958 7.569 503 HD3 LYS 22 1HD LYS 22 -15.064 5.763 6.127 504 HE2 LYS 22 2HE LYS 22 -15.398 2.824 6.692 505 HE3 LYS 22 1HE LYS 22 -16.596 4.049 7.106 506 HZ1 LYS 22 3HZ LYS 22 -17.043 2.919 4.977 507 HZ2 LYS 22 1HZ LYS 22 -15.600 3.548 4.351 508 HZ3 LYS 22 2HZ LYS 22 -16.850 4.591 4.805 509 H ASP 23 H ASP 23 -12.402 6.259 3.067 510 HA ASP 23 HA ASP 23 -13.596 4.219 1.705 511 HB2 ASP 23 2HB ASP 23 -14.075 6.561 1.242 512 HB3 ASP 23 1HB ASP 23 -12.481 6.762 0.525 513 H LEU 24 H LEU 24 -10.336 5.400 1.277 514 HA LEU 24 HA LEU 24 -9.723 3.836 -1.000 515 HB2 LEU 24 2HB LEU 24 -8.572 5.874 -0.626 516 HB3 LEU 24 1HB LEU 24 -8.149 5.411 1.007 517 HG LEU 24 HG LEU 24 -6.354 5.453 -0.875 518 HD11 LEU 24 1HD1 LEU 24 -5.117 3.763 0.367 519 HD12 LEU 24 2HD1 LEU 24 -6.627 3.206 1.105 520 HD13 LEU 24 3HD1 LEU 24 -6.026 4.830 1.441 521 HD21 LEU 24 3HD2 LEU 24 -7.284 2.608 -1.187 522 HD22 LEU 24 1HD2 LEU 24 -6.034 3.457 -2.101 523 HD23 LEU 24 2HD2 LEU 24 -7.735 3.878 -2.320 524 H LYS 25 H LYS 25 -8.694 3.536 2.443 525 HA LYS 25 HA LYS 25 -7.456 1.023 2.149 526 HB2 LYS 25 2HB LYS 25 -7.332 2.648 4.122 527 HB3 LYS 25 1HB LYS 25 -8.879 1.996 4.638 528 HG2 LYS 25 2HG LYS 25 -7.837 -0.254 4.717 529 HG3 LYS 25 1HG LYS 25 -6.289 0.508 4.348 530 HD2 LYS 25 2HD LYS 25 -6.161 0.446 6.628 531 HD3 LYS 25 1HD LYS 25 -6.927 2.020 6.407 532 HE2 LYS 25 2HE LYS 25 -8.434 -0.540 6.924 533 HE3 LYS 25 1HE LYS 25 -7.949 0.586 8.190 534 HZ1 LYS 25 3HZ LYS 25 -9.246 2.302 6.918 535 HZ2 LYS 25 1HZ LYS 25 -10.160 1.086 7.662 536 HZ3 LYS 25 2HZ LYS 25 -9.881 1.035 5.995 537 H THR 26 H THR 26 -10.735 2.027 2.596 538 HA THR 26 HA THR 26 -11.813 -0.508 3.390 539 HB THR 26 HB THR 26 -13.128 2.056 2.459 540 HG1 THR 26 1HG THR 26 -12.663 0.856 5.000 541 HG21 THR 26 3HG2 THR 26 -14.593 0.144 1.949 542 HG22 THR 26 1HG2 THR 26 -15.244 1.120 3.266 543 HG23 THR 26 2HG2 THR 26 -14.446 -0.413 3.616 544 H ARG 27 H ARG 27 -11.606 1.312 0.397 545 HA ARG 27 HA ARG 27 -13.007 -0.370 -1.317 546 HB2 ARG 27 2HB ARG 27 -12.287 1.656 -2.247 547 HB3 ARG 27 1HB ARG 27 -10.648 1.461 -1.651 548 HG2 ARG 27 2HG ARG 27 -10.630 1.218 -4.016 549 HG3 ARG 27 1HG ARG 27 -10.317 -0.354 -3.277 550 HD2 ARG 27 2HD ARG 27 -11.841 -0.625 -5.133 551 HD3 ARG 27 1HD ARG 27 -12.699 -0.943 -3.625 552 HE ARG 27 HE ARG 27 -13.057 1.759 -4.272 553 HH11 ARG 27 1HH1 ARG 27 -13.954 -1.406 -5.527 554 HH12 ARG 27 2HH1 ARG 27 -15.426 -0.819 -6.246 555 HH21 ARG 27 1HH2 ARG 27 -14.980 2.501 -5.216 556 HH22 ARG 27 2HH2 ARG 27 -16.015 1.389 -6.063 557 H LEU 28 H LEU 28 -9.571 -0.394 -0.503 558 HA LEU 28 HA LEU 28 -8.879 -2.800 -1.736 559 HB2 LEU 28 2HB LEU 28 -7.366 -1.020 -0.852 560 HB3 LEU 28 1HB LEU 28 -7.690 -1.613 0.765 561 HG LEU 28 HG LEU 28 -5.509 -2.300 -0.383 562 HD11 LEU 28 1HD1 LEU 28 -5.519 -4.427 0.735 563 HD12 LEU 28 2HD1 LEU 28 -7.284 -4.444 0.746 564 HD13 LEU 28 3HD1 LEU 28 -6.410 -3.243 1.697 565 HD21 LEU 28 3HD2 LEU 28 -5.640 -4.283 -1.785 566 HD22 LEU 28 1HD2 LEU 28 -6.494 -2.931 -2.528 567 HD23 LEU 28 2HD2 LEU 28 -7.403 -4.219 -1.735 568 H LYS 29 H LYS 29 -10.187 -2.158 1.498 569 HA LYS 29 HA LYS 29 -9.977 -4.725 2.564 570 HB2 LYS 29 2HB LYS 29 -10.641 -2.784 3.899 571 HB3 LYS 29 1HB LYS 29 -12.148 -2.661 3.005 572 HG2 LYS 29 2HG LYS 29 -11.489 -5.148 4.537 573 HG3 LYS 29 1HG LYS 29 -12.140 -3.732 5.356 574 HD2 LYS 29 2HD LYS 29 -14.137 -3.796 4.076 575 HD3 LYS 29 1HD LYS 29 -13.462 -4.980 2.955 576 HE2 LYS 29 2HE LYS 29 -15.019 -6.048 4.476 577 HE3 LYS 29 1HE LYS 29 -13.380 -6.632 4.767 578 HZ1 LYS 29 3HZ LYS 29 -14.516 -6.188 6.837 579 HZ2 LYS 29 1HZ LYS 29 -14.810 -4.581 6.374 580 HZ3 LYS 29 2HZ LYS 29 -13.222 -5.106 6.650 581 H VAL 30 H VAL 30 -12.413 -3.316 0.475 582 HA VAL 30 HA VAL 30 -14.109 -5.580 0.361 583 HB VAL 30 HB VAL 30 -13.787 -3.289 -1.554 584 HG11 VAL 30 1HG1 VAL 30 -16.021 -5.297 -1.317 585 HG12 VAL 30 2HG1 VAL 30 -14.877 -5.159 -2.654 586 HG13 VAL 30 3HG1 VAL 30 -16.037 -3.865 -2.348 587 HG21 VAL 30 3HG2 VAL 30 -15.662 -2.306 -0.388 588 HG22 VAL 30 1HG2 VAL 30 -14.368 -2.680 0.757 589 HG23 VAL 30 2HG2 VAL 30 -15.786 -3.727 0.653 590 H TYR 31 H TYR 31 -11.356 -4.531 -1.455 591 HA TYR 31 HA TYR 31 -11.436 -6.469 -3.487 592 HB2 TYR 31 2HB TYR 31 -10.011 -4.496 -3.623 593 HB3 TYR 31 1HB TYR 31 -9.100 -5.030 -2.210 594 HD1 TYR 31 1HD TYR 31 -10.021 -6.118 -5.642 595 HD2 TYR 31 2HD TYR 31 -7.167 -6.255 -2.502 596 HE1 TYR 31 1HE TYR 31 -8.490 -7.325 -7.101 597 HE2 TYR 31 2HE TYR 31 -5.619 -7.474 -3.956 598 HH TYR 31 HH TYR 31 -5.643 -8.855 -5.959 599 H CYS 32 H CYS 32 -10.106 -6.409 -0.235 600 HA CYS 32 HA CYS 32 -8.939 -9.020 -0.378 601 HB2 CYS 32 2HB CYS 32 -9.665 -7.339 2.024 602 HB3 CYS 32 1HB CYS 32 -8.641 -8.767 2.050 603 HG CYS 32 HG CYS 32 -7.945 -5.759 0.599 604 H ALA 33 H ALA 33 -12.092 -7.831 0.121 605 HA ALA 33 HA ALA 33 -13.056 -10.214 1.450 606 HB1 ALA 33 1HB ALA 33 -14.573 -7.893 0.263 607 HB2 ALA 33 2HB ALA 33 -14.033 -8.010 1.936 608 HB3 ALA 33 3HB ALA 33 -15.238 -9.141 1.317 609 H LYS 34 H LYS 34 -12.969 -8.800 -1.743 610 HA LYS 34 HA LYS 34 -14.686 -10.677 -2.983 611 HB2 LYS 34 2HB LYS 34 -14.263 -8.426 -3.908 612 HB3 LYS 34 1HB LYS 34 -12.590 -8.873 -4.204 613 HG2 LYS 34 2HG LYS 34 -13.409 -10.661 -5.724 614 HG3 LYS 34 1HG LYS 34 -15.036 -10.023 -5.507 615 HD2 LYS 34 2HD LYS 34 -12.730 -8.383 -6.545 616 HD3 LYS 34 1HD LYS 34 -13.845 -9.263 -7.587 617 HE2 LYS 34 2HE LYS 34 -14.727 -7.118 -7.566 618 HE3 LYS 34 1HE LYS 34 -15.688 -7.958 -6.353 619 HZ1 LYS 34 3HZ LYS 34 -15.081 -5.849 -5.491 620 HZ2 LYS 34 1HZ LYS 34 -13.442 -6.069 -5.875 621 HZ3 LYS 34 2HZ LYS 34 -14.172 -7.001 -4.656 622 H ASN 35 H ASN 35 -11.184 -10.358 -2.787 623 HA ASN 35 HA ASN 35 -10.861 -12.902 -4.192 624 HB2 ASN 35 2HB ASN 35 -8.845 -10.868 -3.218 625 HB3 ASN 35 1HB ASN 35 -8.427 -12.355 -4.060 626 HD21 ASN 35 1HD2 ASN 35 -9.916 -9.228 -4.339 627 HD22 ASN 35 2HD2 ASN 35 -9.924 -9.160 -6.075 628 H ASN 36 H ASN 36 -11.640 -12.113 -1.217 629 HA ASN 36 HA ASN 36 -11.242 -12.818 0.916 630 HB2 ASN 36 2HB ASN 36 -10.595 -15.262 -0.702 631 HB3 ASN 36 1HB ASN 36 -10.528 -15.292 1.057 632 HD21 ASN 36 1HD2 ASN 36 -12.252 -16.772 -0.731 633 HD22 ASN 36 2HD2 ASN 36 -13.879 -16.350 -0.309 634 H LEU 37 H LEU 37 -9.010 -11.527 -0.560 635 HA LEU 37 HA LEU 37 -6.561 -12.697 0.303 636 HB2 LEU 37 2HB LEU 37 -7.397 -10.412 -1.241 637 HB3 LEU 37 1HB LEU 37 -6.165 -9.946 -0.082 638 HG LEU 37 HG LEU 37 -4.637 -11.615 -0.983 639 HD11 LEU 37 1HD1 LEU 37 -5.197 -12.881 -2.985 640 HD12 LEU 37 2HD1 LEU 37 -6.840 -12.237 -2.942 641 HD13 LEU 37 3HD1 LEU 37 -6.271 -13.292 -1.648 642 HD21 LEU 37 3HD2 LEU 37 -4.620 -9.390 -1.958 643 HD22 LEU 37 1HD2 LEU 37 -5.881 -9.861 -3.100 644 HD23 LEU 37 2HD2 LEU 37 -4.284 -10.603 -3.193 645 H GLN 38 H GLN 38 -5.032 -11.611 1.707 646 HA GLN 38 HA GLN 38 -6.262 -10.721 4.176 647 HB2 GLN 38 2HB GLN 38 -3.362 -11.164 3.432 648 HB3 GLN 38 1HB GLN 38 -3.931 -10.736 5.040 649 HG2 GLN 38 2HG GLN 38 -5.094 -12.820 5.243 650 HG3 GLN 38 1HG GLN 38 -4.732 -13.225 3.566 651 HE21 GLN 38 1HE2 GLN 38 -2.668 -13.899 3.008 652 HE22 GLN 38 2HE2 GLN 38 -1.500 -14.377 4.189 653 H LEU 39 H LEU 39 -6.312 -8.650 4.856 654 HA LEU 39 HA LEU 39 -6.033 -6.461 3.242 655 HB2 LEU 39 2HB LEU 39 -6.444 -6.915 5.994 656 HB3 LEU 39 1HB LEU 39 -5.184 -5.705 5.870 657 HG LEU 39 HG LEU 39 -7.238 -4.538 6.053 658 HD11 LEU 39 1HD1 LEU 39 -6.392 -4.582 3.167 659 HD12 LEU 39 2HD1 LEU 39 -5.734 -3.559 4.445 660 HD13 LEU 39 3HD1 LEU 39 -7.402 -3.343 3.913 661 HD21 LEU 39 3HD2 LEU 39 -8.277 -6.247 3.798 662 HD22 LEU 39 1HD2 LEU 39 -9.141 -4.912 4.563 663 HD23 LEU 39 2HD2 LEU 39 -8.753 -6.361 5.491 664 H THR 40 H THR 40 -3.540 -7.711 5.442 665 HA THR 40 HA THR 40 -1.575 -5.819 4.822 666 HB THR 40 HB THR 40 -1.073 -8.670 5.650 667 HG1 THR 40 1HG THR 40 -2.532 -7.832 7.124 668 HG21 THR 40 3HG2 THR 40 0.932 -7.419 5.029 669 HG22 THR 40 1HG2 THR 40 0.899 -7.735 6.765 670 HG23 THR 40 2HG2 THR 40 0.484 -6.134 6.153 671 H GLN 41 H GLN 41 -2.125 -9.067 3.528 672 HA GLN 41 HA GLN 41 0.025 -9.197 1.769 673 HB2 GLN 41 2HB GLN 41 -1.586 -11.032 2.446 674 HB3 GLN 41 1HB GLN 41 -2.715 -10.366 1.278 675 HG2 GLN 41 2HG GLN 41 -1.112 -10.783 -0.518 676 HG3 GLN 41 1HG GLN 41 0.031 -11.436 0.656 677 HE21 GLN 41 1HE2 GLN 41 -2.906 -11.983 -1.092 678 HE22 GLN 41 2HE2 GLN 41 -3.059 -13.663 -0.718 679 H ALA 42 H ALA 42 -3.165 -7.759 1.403 680 HA ALA 42 HA ALA 42 -2.956 -7.138 -1.365 681 HB1 ALA 42 1HB ALA 42 -4.868 -5.728 -1.002 682 HB2 ALA 42 2HB ALA 42 -4.620 -5.795 0.743 683 HB3 ALA 42 3HB ALA 42 -5.080 -7.253 -0.139 684 H ILE 43 H ILE 43 -2.390 -5.220 1.594 685 HA ILE 43 HA ILE 43 -1.634 -2.836 0.346 686 HB ILE 43 HB ILE 43 -1.138 -4.043 3.004 687 HG12 ILE 43 2HG1 ILE 43 -1.858 -1.762 3.728 688 HG13 ILE 43 1HG1 ILE 43 -1.992 -1.312 2.033 689 HG21 ILE 43 1HG2 ILE 43 0.497 -2.377 3.671 690 HG22 ILE 43 2HG2 ILE 43 0.574 -1.771 2.012 691 HG23 ILE 43 3HG2 ILE 43 1.121 -3.415 2.383 692 HD11 ILE 43 3HD1 ILE 43 -3.606 -3.379 3.500 693 HD12 ILE 43 1HD1 ILE 43 -3.671 -3.122 1.754 694 HD13 ILE 43 2HD1 ILE 43 -4.163 -1.835 2.854 695 H GLU 44 H GLU 44 0.312 -5.638 1.255 696 HA GLU 44 HA GLU 44 2.789 -4.596 0.426 697 HB2 GLU 44 2HB GLU 44 1.868 -7.465 0.605 698 HB3 GLU 44 1HB GLU 44 3.536 -6.967 0.367 699 HG2 GLU 44 2HG GLU 44 3.418 -5.754 2.522 700 HG3 GLU 44 1HG GLU 44 1.806 -6.413 2.758 701 H GLU 45 H GLU 45 0.413 -6.568 -1.323 702 HA GLU 45 HA GLU 45 1.780 -6.680 -3.777 703 HB2 GLU 45 2HB GLU 45 -1.163 -6.701 -3.101 704 HB3 GLU 45 1HB GLU 45 -0.571 -6.901 -4.742 705 HG2 GLU 45 2HG GLU 45 0.406 -8.692 -2.561 706 HG3 GLU 45 1HG GLU 45 -1.159 -8.976 -3.320 707 H ALA 46 H ALA 46 -0.418 -4.324 -2.366 708 HA ALA 46 HA ALA 46 -0.758 -2.675 -4.605 709 HB1 ALA 46 1HB ALA 46 -2.143 -2.584 -2.551 710 HB2 ALA 46 2HB ALA 46 -1.555 -1.000 -3.060 711 HB3 ALA 46 3HB ALA 46 -0.788 -1.836 -1.702 712 H ILE 47 H ILE 47 1.426 -2.348 -1.834 713 HA ILE 47 HA ILE 47 2.733 -0.084 -2.852 714 HB ILE 47 HB ILE 47 2.561 -0.607 -0.467 715 HG12 ILE 47 2HG1 ILE 47 5.449 -0.545 -1.316 716 HG13 ILE 47 1HG1 ILE 47 4.380 0.855 -1.371 717 HG21 ILE 47 1HG2 ILE 47 4.436 -2.863 -1.099 718 HG22 ILE 47 2HG2 ILE 47 2.781 -2.985 -0.490 719 HG23 ILE 47 3HG2 ILE 47 4.052 -2.298 0.528 720 HD11 ILE 47 3HD1 ILE 47 5.641 1.004 0.622 721 HD12 ILE 47 1HD1 ILE 47 5.282 -0.671 1.053 722 HD13 ILE 47 2HD1 ILE 47 4.001 0.541 1.079 723 H LYS 48 H LYS 48 3.174 -3.493 -3.290 724 HA LYS 48 HA LYS 48 5.857 -3.392 -4.222 725 HB2 LYS 48 2HB LYS 48 4.903 -5.480 -3.432 726 HB3 LYS 48 1HB LYS 48 3.641 -5.401 -4.648 727 HG2 LYS 48 2HG LYS 48 4.970 -6.856 -5.723 728 HG3 LYS 48 1HG LYS 48 5.797 -5.390 -6.245 729 HD2 LYS 48 2HD LYS 48 6.590 -6.912 -3.773 730 HD3 LYS 48 1HD LYS 48 7.254 -7.267 -5.367 731 HE2 LYS 48 2HE LYS 48 8.069 -4.954 -5.522 732 HE3 LYS 48 1HE LYS 48 7.434 -4.633 -3.911 733 HZ1 LYS 48 3HZ LYS 48 9.560 -6.590 -4.608 734 HZ2 LYS 48 1HZ LYS 48 8.916 -6.378 -3.060 735 HZ3 LYS 48 2HZ LYS 48 9.780 -5.120 -3.791 736 H GLU 49 H GLU 49 2.809 -3.942 -6.005 737 HA GLU 49 HA GLU 49 3.823 -3.499 -8.553 738 HB2 GLU 49 2HB GLU 49 1.097 -3.381 -7.341 739 HB3 GLU 49 1HB GLU 49 1.312 -2.723 -8.956 740 HG2 GLU 49 2HG GLU 49 0.560 -4.963 -9.179 741 HG3 GLU 49 1HG GLU 49 2.251 -4.918 -9.649 742 H TYR 50 H TYR 50 3.127 -1.285 -6.066 743 HA TYR 50 HA TYR 50 2.617 1.005 -7.627 744 HB2 TYR 50 2HB TYR 50 1.915 0.888 -5.327 745 HB3 TYR 50 1HB TYR 50 3.574 0.647 -4.795 746 HD1 TYR 50 1HD TYR 50 1.635 3.093 -6.818 747 HD2 TYR 50 2HD TYR 50 4.602 2.434 -3.859 748 HE1 TYR 50 1HE TYR 50 1.841 5.519 -6.513 749 HE2 TYR 50 2HE TYR 50 4.822 4.883 -3.526 750 HH TYR 50 HH TYR 50 2.594 7.104 -4.783 751 H LEU 51 H LEU 51 5.480 -0.116 -5.872 752 HA LEU 51 HA LEU 51 7.209 1.883 -6.759 753 HB2 LEU 51 2HB LEU 51 7.538 -0.812 -5.597 754 HB3 LEU 51 1HB LEU 51 8.922 -0.135 -6.424 755 HG LEU 51 HG LEU 51 9.443 0.832 -4.483 756 HD11 LEU 51 1HD1 LEU 51 8.281 2.891 -3.871 757 HD12 LEU 51 2HD1 LEU 51 6.963 2.467 -4.963 758 HD13 LEU 51 3HD1 LEU 51 8.573 2.792 -5.608 759 HD21 LEU 51 3HD2 LEU 51 7.925 0.876 -2.544 760 HD22 LEU 51 1HD2 LEU 51 8.053 -0.725 -3.277 761 HD23 LEU 51 2HD2 LEU 51 6.627 0.270 -3.576 762 H GLN 52 H GLN 52 6.246 -1.140 -8.253 763 HA GLN 52 HA GLN 52 8.233 -0.945 -10.319 764 HB2 GLN 52 2HB GLN 52 5.916 -2.755 -9.802 765 HB3 GLN 52 1HB GLN 52 6.574 -2.687 -11.431 766 HG2 GLN 52 2HG GLN 52 7.613 -4.501 -10.315 767 HG3 GLN 52 1HG GLN 52 8.813 -3.219 -10.470 768 HE21 GLN 52 1HE2 GLN 52 6.794 -5.018 -8.307 769 HE22 GLN 52 2HE2 GLN 52 7.555 -4.495 -6.846 770 H LYS 53 H LYS 53 4.850 -0.068 -10.007 771 HA LYS 53 HA LYS 53 4.487 0.722 -12.718 772 HB2 LYS 53 2HB LYS 53 2.636 0.177 -11.166 773 HB3 LYS 53 1HB LYS 53 2.999 1.638 -10.260 774 HG2 LYS 53 2HG LYS 53 2.528 2.962 -12.293 775 HG3 LYS 53 1HG LYS 53 2.047 1.471 -13.107 776 HD2 LYS 53 2HD LYS 53 0.304 1.122 -11.425 777 HD3 LYS 53 1HD LYS 53 0.791 2.613 -10.614 778 HE2 LYS 53 2HE LYS 53 -0.300 2.375 -13.418 779 HE3 LYS 53 1HE LYS 53 -1.169 2.993 -12.013 780 HZ1 LYS 53 3HZ LYS 53 -0.377 4.828 -13.282 781 HZ2 LYS 53 1HZ LYS 53 1.198 4.209 -13.328 782 HZ3 LYS 53 2HZ LYS 53 0.551 4.758 -11.870 783 H ARG 54 H ARG 54 6.117 2.071 -10.093 784 HA ARG 54 HA ARG 54 5.879 4.777 -11.161 785 HB2 ARG 54 2HB ARG 54 5.527 3.855 -8.639 786 HB3 ARG 54 1HB ARG 54 7.218 4.308 -8.578 787 HG2 ARG 54 2HG ARG 54 6.222 6.268 -7.901 788 HG3 ARG 54 1HG ARG 54 6.324 6.540 -9.645 789 HD2 ARG 54 2HD ARG 54 4.068 6.107 -9.979 790 HD3 ARG 54 1HD ARG 54 3.908 5.251 -8.451 791 HE ARG 54 HE ARG 54 4.584 8.009 -8.086 792 HH11 ARG 54 1HH1 ARG 54 1.918 5.854 -8.796 793 HH12 ARG 54 2HH1 ARG 54 0.724 6.826 -7.985 794 HH21 ARG 54 1HH2 ARG 54 3.011 9.321 -7.043 795 HH22 ARG 54 2HH2 ARG 54 1.350 8.813 -7.013 796 H ASN 55 H ASN 55 8.397 3.095 -9.309 797 HA ASN 55 HA ASN 55 10.385 2.930 -11.188 798 HB2 ASN 55 2HB ASN 55 11.839 4.915 -10.391 799 HB3 ASN 55 1HB ASN 55 10.587 5.215 -11.584 800 HD21 ASN 55 1HD2 ASN 55 10.451 7.373 -11.098 801 HD22 ASN 55 2HD2 ASN 55 9.749 7.963 -9.628 802 H GLY 56 H GLY 56 10.106 4.152 -7.839 803 HA2 GLY 56 2HA GLY 56 10.572 2.782 -5.949 804 HA3 GLY 56 1HA GLY 56 11.605 1.793 -6.965 Start of MODEL 8 1 H LYS 11 H LYS 11 -9.742 13.390 3.181 2 HA LYS 11 HA LYS 11 -10.606 14.298 5.258 3 HB2 LYS 11 2HB LYS 11 -12.346 12.400 3.693 4 HB3 LYS 11 1HB LYS 11 -12.989 13.467 4.932 5 HG2 LYS 11 2HG LYS 11 -12.092 15.394 3.654 6 HG3 LYS 11 1HG LYS 11 -11.627 14.269 2.374 7 HD2 LYS 11 2HD LYS 11 -13.921 13.609 2.056 8 HD3 LYS 11 1HD LYS 11 -14.431 14.584 3.434 9 HE2 LYS 11 2HE LYS 11 -13.672 16.603 2.244 10 HE3 LYS 11 1HE LYS 11 -13.256 15.603 0.852 11 HZ1 LYS 11 2HZ LYS 11 -15.426 16.654 0.608 12 HZ2 LYS 11 3HZ LYS 11 -15.975 15.886 2.016 13 HZ3 LYS 11 1HZ LYS 11 -15.570 14.963 0.652 14 H GLN 12 H GLN 12 -12.348 11.272 5.251 15 HA GLN 12 HA GLN 12 -12.054 11.015 8.077 16 HB2 GLN 12 2HB GLN 12 -13.293 8.859 7.744 17 HB3 GLN 12 1HB GLN 12 -14.124 10.286 7.144 18 HG2 GLN 12 2HG GLN 12 -13.468 9.744 4.875 19 HG3 GLN 12 1HG GLN 12 -12.560 8.348 5.453 20 HE21 GLN 12 1HE2 GLN 12 -14.799 8.495 3.581 21 HE22 GLN 12 2HE2 GLN 12 -16.020 7.452 4.233 22 H LYS 13 H LYS 13 -10.565 9.965 9.171 23 HA LYS 13 HA LYS 13 -8.521 8.570 7.571 24 HB2 LYS 13 2HB LYS 13 -6.895 9.231 9.272 25 HB3 LYS 13 1HB LYS 13 -7.701 10.642 8.607 26 HG2 LYS 13 2HG LYS 13 -9.173 10.702 10.577 27 HG3 LYS 13 1HG LYS 13 -8.308 9.316 11.243 28 HD2 LYS 13 2HD LYS 13 -6.225 10.650 11.208 29 HD3 LYS 13 1HD LYS 13 -7.154 12.039 10.636 30 HE2 LYS 13 2HE LYS 13 -7.407 10.614 13.283 31 HE3 LYS 13 1HE LYS 13 -6.876 12.272 12.999 32 HZ1 LYS 13 3HZ LYS 13 -9.093 12.830 12.238 33 HZ2 LYS 13 1HZ LYS 13 -9.169 12.165 13.797 34 HZ3 LYS 13 2HZ LYS 13 -9.609 11.229 12.456 35 H ALA 14 H ALA 14 -7.665 6.683 8.240 36 HA ALA 14 HA ALA 14 -8.753 5.437 10.664 37 HB1 ALA 14 1HB ALA 14 -8.527 4.127 7.963 38 HB2 ALA 14 2HB ALA 14 -10.020 4.536 8.810 39 HB3 ALA 14 3HB ALA 14 -8.937 3.309 9.472 40 H VAL 15 H VAL 15 -7.416 3.563 11.331 41 HA VAL 15 HA VAL 15 -4.592 4.225 10.830 42 HB VAL 15 HB VAL 15 -5.457 2.399 13.025 43 HG11 VAL 15 1HG1 VAL 15 -3.093 2.617 12.625 44 HG12 VAL 15 2HG1 VAL 15 -3.503 3.369 14.167 45 HG13 VAL 15 3HG1 VAL 15 -3.204 4.373 12.748 46 HG21 VAL 15 3HG2 VAL 15 -5.722 4.305 14.550 47 HG22 VAL 15 1HG2 VAL 15 -6.940 4.300 13.276 48 HG23 VAL 15 2HG2 VAL 15 -5.567 5.407 13.177 49 H PHE 16 H PHE 16 -3.097 2.406 10.758 50 HA PHE 16 HA PHE 16 -4.253 -0.156 10.029 51 HB2 PHE 16 2HB PHE 16 -3.916 1.446 7.967 52 HB3 PHE 16 1HB PHE 16 -2.228 0.982 8.149 53 HD1 PHE 16 1HD PHE 16 -5.369 -0.956 8.561 54 HD2 PHE 16 2HD PHE 16 -1.715 -0.476 6.441 55 HE1 PHE 16 1HE PHE 16 -5.839 -3.013 7.294 56 HE2 PHE 16 2HE PHE 16 -2.178 -2.531 5.172 57 HZ PHE 16 HZ PHE 16 -4.241 -3.799 5.596 58 H GLY 17 H GLY 17 -3.095 -1.691 10.983 59 HA2 GLY 17 2HA GLY 17 -0.250 -1.148 11.558 60 HA3 GLY 17 1HA GLY 17 -1.323 -1.747 12.817 61 H ILE 18 H ILE 18 0.468 -2.530 9.959 62 HA ILE 18 HA ILE 18 -0.335 -5.349 10.254 63 HB ILE 18 HB ILE 18 -0.021 -5.644 7.847 64 HG12 ILE 18 2HG1 ILE 18 0.196 -2.631 7.705 65 HG13 ILE 18 1HG1 ILE 18 1.577 -3.718 7.575 66 HG21 ILE 18 1HG2 ILE 18 -2.236 -5.211 8.720 67 HG22 ILE 18 2HG2 ILE 18 -2.048 -4.450 7.139 68 HG23 ILE 18 3HG2 ILE 18 -1.962 -3.473 8.605 69 HD11 ILE 18 3HD1 ILE 18 0.569 -4.722 5.584 70 HD12 ILE 18 1HD1 ILE 18 0.836 -2.990 5.396 71 HD13 ILE 18 2HD1 ILE 18 -0.785 -3.601 5.720 72 H TYR 19 H TYR 19 1.258 -6.907 9.482 73 HA TYR 19 HA TYR 19 4.011 -5.916 9.801 74 HB2 TYR 19 2HB TYR 19 2.964 -8.745 10.093 75 HB3 TYR 19 1HB TYR 19 4.630 -8.235 10.326 76 HD1 TYR 19 1HD TYR 19 4.892 -6.260 12.117 77 HD2 TYR 19 2HD TYR 19 1.674 -9.031 11.953 78 HE1 TYR 19 1HE TYR 19 4.439 -5.871 14.501 79 HE2 TYR 19 2HE TYR 19 1.208 -8.646 14.336 80 HH TYR 19 HH TYR 19 2.595 -6.058 16.081 81 H MET 20 H MET 20 4.451 -5.318 7.734 82 HA MET 20 HA MET 20 4.144 -7.343 5.614 83 HB2 MET 20 2HB MET 20 4.345 -5.666 3.991 84 HB3 MET 20 1HB MET 20 3.398 -4.893 5.254 85 HG2 MET 20 2HG MET 20 5.016 -3.391 5.730 86 HG3 MET 20 1HG MET 20 6.328 -4.542 5.432 87 HE1 MET 20 3HE MET 20 4.667 -1.517 2.505 88 HE2 MET 20 1HE MET 20 4.172 -1.768 4.183 89 HE3 MET 20 2HE MET 20 3.469 -2.765 2.901 90 H ASP 21 H ASP 21 6.161 -7.147 3.926 91 HA ASP 21 HA ASP 21 8.455 -7.971 5.420 92 HB2 ASP 21 2HB ASP 21 7.840 -7.718 2.507 93 HB3 ASP 21 1HB ASP 21 9.522 -7.738 3.005 94 H LYS 22 H LYS 22 10.606 -7.034 5.172 95 HA LYS 22 HA LYS 22 10.463 -4.221 5.726 96 HB2 LYS 22 2HB LYS 22 11.937 -5.561 7.085 97 HB3 LYS 22 1HB LYS 22 12.743 -6.199 5.654 98 HG2 LYS 22 2HG LYS 22 13.741 -4.079 5.185 99 HG3 LYS 22 1HG LYS 22 12.809 -3.302 6.468 100 HD2 LYS 22 2HD LYS 22 13.983 -4.533 8.157 101 HD3 LYS 22 1HD LYS 22 14.786 -5.526 6.942 102 HE2 LYS 22 2HE LYS 22 15.129 -2.542 7.167 103 HE3 LYS 22 1HE LYS 22 16.207 -3.712 7.927 104 HZ1 LYS 22 3HZ LYS 22 16.692 -4.614 5.720 105 HZ2 LYS 22 1HZ LYS 22 17.104 -2.974 5.825 106 HZ3 LYS 22 2HZ LYS 22 15.696 -3.441 5.010 107 H ASP 23 H ASP 23 12.329 -6.194 3.457 108 HA ASP 23 HA ASP 23 13.637 -4.225 2.087 109 HB2 ASP 23 2HB ASP 23 14.114 -6.553 1.685 110 HB3 ASP 23 1HB ASP 23 12.511 -6.811 1.009 111 H LEU 24 H LEU 24 10.346 -5.321 1.560 112 HA LEU 24 HA LEU 24 9.892 -3.781 -0.781 113 HB2 LEU 24 2HB LEU 24 8.539 -5.625 -0.590 114 HB3 LEU 24 1HB LEU 24 8.283 -5.383 1.129 115 HG LEU 24 HG LEU 24 7.056 -3.203 0.228 116 HD11 LEU 24 1HD1 LEU 24 5.744 -3.788 -1.766 117 HD12 LEU 24 2HD1 LEU 24 6.736 -5.232 -1.971 118 HD13 LEU 24 3HD1 LEU 24 7.466 -3.631 -2.108 119 HD21 LEU 24 3HD2 LEU 24 6.252 -4.888 1.740 120 HD22 LEU 24 1HD2 LEU 24 5.915 -5.974 0.387 121 HD23 LEU 24 2HD2 LEU 24 5.007 -4.464 0.547 122 H LYS 25 H LYS 25 8.499 -3.481 2.530 123 HA LYS 25 HA LYS 25 7.355 -0.964 2.306 124 HB2 LYS 25 2HB LYS 25 7.501 -2.626 4.327 125 HB3 LYS 25 1HB LYS 25 8.947 -1.724 4.759 126 HG2 LYS 25 2HG LYS 25 7.571 0.346 4.771 127 HG3 LYS 25 1HG LYS 25 6.147 -0.666 4.510 128 HD2 LYS 25 2HD LYS 25 6.123 -0.477 6.796 129 HD3 LYS 25 1HD LYS 25 7.064 -1.960 6.593 130 HE2 LYS 25 2HE LYS 25 8.290 0.780 6.885 131 HE3 LYS 25 1HE LYS 25 7.992 -0.299 8.246 132 HZ1 LYS 25 3HZ LYS 25 10.288 -0.343 7.342 133 HZ2 LYS 25 1HZ LYS 25 9.682 -1.011 5.913 134 HZ3 LYS 25 2HZ LYS 25 9.539 -1.861 7.368 135 H THR 26 H THR 26 10.659 -1.917 2.834 136 HA THR 26 HA THR 26 11.643 0.690 3.490 137 HB THR 26 HB THR 26 13.106 -1.884 2.854 138 HG1 THR 26 1HG THR 26 12.142 -2.176 4.760 139 HG21 THR 26 3HG2 THR 26 15.067 -0.809 3.885 140 HG22 THR 26 1HG2 THR 26 14.167 0.699 4.047 141 HG23 THR 26 2HG2 THR 26 14.556 0.072 2.445 142 H ARG 27 H ARG 27 11.499 -1.302 0.628 143 HA ARG 27 HA ARG 27 13.019 0.241 -1.133 144 HB2 ARG 27 2HB ARG 27 12.236 -1.852 -1.919 145 HB3 ARG 27 1HB ARG 27 10.577 -1.496 -1.470 146 HG2 ARG 27 2HG ARG 27 10.737 -1.428 -3.838 147 HG3 ARG 27 1HG ARG 27 10.517 0.220 -3.242 148 HD2 ARG 27 2HD ARG 27 12.193 0.192 -5.000 149 HD3 ARG 27 1HD ARG 27 12.949 0.592 -3.459 150 HE ARG 27 HE ARG 27 13.157 -2.172 -3.821 151 HH11 ARG 27 1HH1 ARG 27 14.328 0.725 -5.403 152 HH12 ARG 27 2HH1 ARG 27 15.830 0.004 -5.891 153 HH21 ARG 27 1HH2 ARG 27 15.114 -3.126 -4.463 154 HH22 ARG 27 2HH2 ARG 27 16.266 -2.197 -5.371 155 H LEU 28 H LEU 28 9.524 0.349 -0.514 156 HA LEU 28 HA LEU 28 8.967 2.736 -1.817 157 HB2 LEU 28 2HB LEU 28 7.379 1.017 -0.990 158 HB3 LEU 28 1HB LEU 28 7.622 1.618 0.640 159 HG LEU 28 HG LEU 28 5.528 2.344 -0.643 160 HD11 LEU 28 1HD1 LEU 28 6.387 3.304 1.475 161 HD12 LEU 28 2HD1 LEU 28 5.508 4.457 0.465 162 HD13 LEU 28 3HD1 LEU 28 7.273 4.495 0.521 163 HD21 LEU 28 3HD2 LEU 28 6.672 2.878 -2.727 164 HD22 LEU 28 1HD2 LEU 28 7.568 4.158 -1.911 165 HD23 LEU 28 2HD2 LEU 28 5.814 4.283 -2.086 166 H LYS 29 H LYS 29 10.128 2.173 1.486 167 HA LYS 29 HA LYS 29 9.908 4.751 2.510 168 HB2 LYS 29 2HB LYS 29 10.527 2.916 3.932 169 HB3 LYS 29 1HB LYS 29 11.978 2.617 2.990 170 HG2 LYS 29 2HG LYS 29 11.668 5.248 4.340 171 HG3 LYS 29 1HG LYS 29 12.089 3.832 5.303 172 HD2 LYS 29 2HD LYS 29 14.017 3.421 3.837 173 HD3 LYS 29 1HD LYS 29 13.592 4.845 2.885 174 HE2 LYS 29 2HE LYS 29 13.935 6.264 4.823 175 HE3 LYS 29 1HE LYS 29 14.301 4.852 5.812 176 HZ1 LYS 29 3HZ LYS 29 16.313 5.963 5.109 177 HZ2 LYS 29 1HZ LYS 29 15.881 5.797 3.475 178 HZ3 LYS 29 2HZ LYS 29 16.224 4.421 4.407 179 H VAL 30 H VAL 30 12.503 3.321 0.604 180 HA VAL 30 HA VAL 30 14.143 5.612 0.562 181 HB VAL 30 HB VAL 30 14.001 3.304 -1.355 182 HG11 VAL 30 1HG1 VAL 30 15.143 5.164 -2.399 183 HG12 VAL 30 2HG1 VAL 30 16.311 3.916 -1.960 184 HG13 VAL 30 3HG1 VAL 30 16.162 5.371 -0.973 185 HG21 VAL 30 3HG2 VAL 30 15.822 2.380 -0.037 186 HG22 VAL 30 1HG2 VAL 30 14.412 2.697 0.980 187 HG23 VAL 30 2HG2 VAL 30 15.791 3.797 1.018 188 H TYR 31 H TYR 31 11.557 4.489 -1.446 189 HA TYR 31 HA TYR 31 11.731 6.394 -3.497 190 HB2 TYR 31 2HB TYR 31 10.333 4.412 -3.709 191 HB3 TYR 31 1HB TYR 31 9.335 4.942 -2.351 192 HD1 TYR 31 1HD TYR 31 10.372 5.869 -5.790 193 HD2 TYR 31 2HD TYR 31 7.489 6.325 -2.700 194 HE1 TYR 31 1HE TYR 31 8.941 7.126 -7.321 195 HE2 TYR 31 2HE TYR 31 6.038 7.577 -4.226 196 HH TYR 31 HH TYR 31 6.223 8.913 -6.277 197 H CYS 32 H CYS 32 10.195 6.387 -0.336 198 HA CYS 32 HA CYS 32 8.899 8.898 -0.614 199 HB2 CYS 32 2HB CYS 32 9.706 7.388 1.877 200 HB3 CYS 32 1HB CYS 32 8.654 8.797 1.853 201 HG CYS 32 HG CYS 32 7.992 5.742 0.477 202 H ALA 33 H ALA 33 12.051 7.922 0.538 203 HA ALA 33 HA ALA 33 12.765 10.438 1.641 204 HB1 ALA 33 1HB ALA 33 15.022 9.500 1.726 205 HB2 ALA 33 2HB ALA 33 14.501 8.160 0.704 206 HB3 ALA 33 3HB ALA 33 13.825 8.346 2.321 207 H LYS 34 H LYS 34 13.149 8.903 -1.478 208 HA LYS 34 HA LYS 34 14.916 10.816 -2.575 209 HB2 LYS 34 2HB LYS 34 14.788 8.503 -3.369 210 HB3 LYS 34 1HB LYS 34 13.134 8.765 -3.893 211 HG2 LYS 34 2HG LYS 34 13.935 10.409 -5.529 212 HG3 LYS 34 1HG LYS 34 15.592 10.074 -5.020 213 HD2 LYS 34 2HD LYS 34 15.371 7.759 -5.700 214 HD3 LYS 34 1HD LYS 34 13.677 8.017 -6.116 215 HE2 LYS 34 2HE LYS 34 14.349 9.598 -7.860 216 HE3 LYS 34 1HE LYS 34 16.044 9.339 -7.442 217 HZ1 LYS 34 3HZ LYS 34 15.853 7.044 -8.092 218 HZ2 LYS 34 1HZ LYS 34 15.323 8.021 -9.373 219 HZ3 LYS 34 2HZ LYS 34 14.194 7.212 -8.396 220 H ASN 35 H ASN 35 11.424 10.416 -2.639 221 HA ASN 35 HA ASN 35 11.181 12.791 -4.335 222 HB2 ASN 35 2HB ASN 35 9.154 10.780 -3.357 223 HB3 ASN 35 1HB ASN 35 8.714 12.235 -4.243 224 HD21 ASN 35 1HD2 ASN 35 10.331 9.156 -4.408 225 HD22 ASN 35 2HD2 ASN 35 10.382 9.061 -6.148 226 H ASN 36 H ASN 36 11.612 12.181 -1.185 227 HA ASN 36 HA ASN 36 11.118 13.208 0.786 228 HB2 ASN 36 2HB ASN 36 10.406 15.445 -1.098 229 HB3 ASN 36 1HB ASN 36 10.323 15.630 0.650 230 HD21 ASN 36 1HD2 ASN 36 12.248 15.923 -2.063 231 HD22 ASN 36 2HD2 ASN 36 13.781 16.070 -1.273 232 H LEU 37 H LEU 37 9.086 11.655 -0.726 233 HA LEU 37 HA LEU 37 6.517 12.727 -0.055 234 HB2 LEU 37 2HB LEU 37 7.583 10.391 -1.420 235 HB3 LEU 37 1HB LEU 37 6.227 9.990 -0.384 236 HG LEU 37 HG LEU 37 4.813 11.591 -1.551 237 HD11 LEU 37 1HD1 LEU 37 6.530 13.233 -2.119 238 HD12 LEU 37 2HD1 LEU 37 5.585 12.762 -3.531 239 HD13 LEU 37 3HD1 LEU 37 7.211 12.115 -3.301 240 HD21 LEU 37 3HD2 LEU 37 4.901 9.319 -2.393 241 HD22 LEU 37 1HD2 LEU 37 6.286 9.724 -3.406 242 HD23 LEU 37 2HD2 LEU 37 4.713 10.456 -3.727 243 H GLN 38 H GLN 38 5.009 11.585 1.347 244 HA GLN 38 HA GLN 38 6.268 10.825 3.853 245 HB2 GLN 38 2HB GLN 38 3.357 11.260 3.169 246 HB3 GLN 38 1HB GLN 38 3.990 10.950 4.781 247 HG2 GLN 38 2HG GLN 38 5.241 13.019 4.714 248 HG3 GLN 38 1HG GLN 38 4.675 13.318 3.071 249 HE21 GLN 38 1HE2 GLN 38 2.510 13.911 2.737 250 HE22 GLN 38 2HE2 GLN 38 1.521 14.491 4.033 251 H LEU 39 H LEU 39 6.298 8.762 4.599 252 HA LEU 39 HA LEU 39 5.986 6.540 3.051 253 HB2 LEU 39 2HB LEU 39 6.341 7.056 5.810 254 HB3 LEU 39 1HB LEU 39 5.117 5.814 5.663 255 HG LEU 39 HG LEU 39 7.186 4.698 5.911 256 HD11 LEU 39 1HD1 LEU 39 7.446 3.493 3.789 257 HD12 LEU 39 2HD1 LEU 39 6.448 4.711 2.992 258 HD13 LEU 39 3HD1 LEU 39 5.755 3.688 4.249 259 HD21 LEU 39 3HD2 LEU 39 9.133 5.121 4.513 260 HD22 LEU 39 1HD2 LEU 39 8.659 6.573 5.393 261 HD23 LEU 39 2HD2 LEU 39 8.268 6.414 3.681 262 H THR 40 H THR 40 3.506 7.834 5.230 263 HA THR 40 HA THR 40 1.514 5.971 4.646 264 HB THR 40 HB THR 40 1.044 8.857 5.374 265 HG1 THR 40 1HG THR 40 2.531 8.028 6.846 266 HG21 THR 40 3HG2 THR 40 -0.529 6.358 6.002 267 HG22 THR 40 1HG2 THR 40 -0.980 7.592 4.822 268 HG23 THR 40 2HG2 THR 40 -0.925 7.989 6.540 269 H GLN 41 H GLN 41 2.124 9.157 3.253 270 HA GLN 41 HA GLN 41 -0.000 9.292 1.469 271 HB2 GLN 41 2HB GLN 41 1.709 11.082 2.106 272 HB3 GLN 41 1HB GLN 41 2.777 10.342 0.925 273 HG2 GLN 41 2HG GLN 41 1.069 10.765 -0.815 274 HG3 GLN 41 1HG GLN 41 0.107 11.616 0.395 275 HE21 GLN 41 1HE2 GLN 41 2.904 11.713 -1.625 276 HE22 GLN 41 2HE2 GLN 41 3.307 13.373 -1.341 277 H ALA 42 H ALA 42 3.162 7.774 1.176 278 HA ALA 42 HA ALA 42 2.948 7.085 -1.584 279 HB1 ALA 42 1HB ALA 42 4.637 5.823 0.553 280 HB2 ALA 42 2HB ALA 42 5.077 7.254 -0.381 281 HB3 ALA 42 3HB ALA 42 4.873 5.698 -1.190 282 H ILE 43 H ILE 43 2.379 5.269 1.440 283 HA ILE 43 HA ILE 43 1.607 2.846 0.261 284 HB ILE 43 HB ILE 43 1.145 4.122 2.890 285 HG12 ILE 43 2HG1 ILE 43 1.862 1.839 3.637 286 HG13 ILE 43 1HG1 ILE 43 2.006 1.390 1.941 287 HG21 ILE 43 1HG2 ILE 43 -1.130 3.489 2.317 288 HG22 ILE 43 2HG2 ILE 43 -0.492 2.463 3.609 289 HG23 ILE 43 3HG2 ILE 43 -0.594 1.839 1.958 290 HD11 ILE 43 3HD1 ILE 43 3.662 3.200 1.653 291 HD12 ILE 43 1HD1 ILE 43 4.164 1.948 2.790 292 HD13 ILE 43 2HD1 ILE 43 3.578 3.497 3.392 293 H GLU 44 H GLU 44 -0.319 5.680 1.125 294 HA GLU 44 HA GLU 44 -2.806 4.654 0.350 295 HB2 GLU 44 2HB GLU 44 -1.816 7.502 0.388 296 HB3 GLU 44 1HB GLU 44 -3.498 7.043 0.172 297 HG2 GLU 44 2HG GLU 44 -3.426 5.943 2.384 298 HG3 GLU 44 1HG GLU 44 -1.790 6.557 2.592 299 H GLU 45 H GLU 45 -0.444 6.576 -1.476 300 HA GLU 45 HA GLU 45 -1.814 6.591 -3.926 301 HB2 GLU 45 2HB GLU 45 1.140 6.636 -3.283 302 HB3 GLU 45 1HB GLU 45 0.517 6.820 -4.914 303 HG2 GLU 45 2HG GLU 45 -0.441 8.627 -2.746 304 HG3 GLU 45 1HG GLU 45 1.126 8.906 -3.507 305 H ALA 46 H ALA 46 0.383 4.275 -2.457 306 HA ALA 46 HA ALA 46 0.686 2.566 -4.662 307 HB1 ALA 46 1HB ALA 46 2.127 2.555 -2.634 308 HB2 ALA 46 2HB ALA 46 1.553 0.948 -3.087 309 HB3 ALA 46 3HB ALA 46 0.804 1.811 -1.734 310 H ILE 47 H ILE 47 -1.443 2.328 -1.821 311 HA ILE 47 HA ILE 47 -2.753 0.015 -2.728 312 HB ILE 47 HB ILE 47 -2.551 0.669 -0.355 313 HG12 ILE 47 2HG1 ILE 47 -5.444 0.447 -1.147 314 HG13 ILE 47 1HG1 ILE 47 -4.317 -0.907 -1.193 315 HG21 ILE 47 1HG2 ILE 47 -2.897 3.031 -0.463 316 HG22 ILE 47 2HG2 ILE 47 -4.149 2.325 0.565 317 HG23 ILE 47 3HG2 ILE 47 -4.532 2.802 -1.089 318 HD11 ILE 47 3HD1 ILE 47 -3.923 -0.664 1.198 319 HD12 ILE 47 1HD1 ILE 47 -5.627 -0.945 0.837 320 HD13 ILE 47 2HD1 ILE 47 -5.068 0.680 1.252 321 H LYS 48 H LYS 48 -3.257 3.416 -3.243 322 HA LYS 48 HA LYS 48 -5.964 3.249 -4.092 323 HB2 LYS 48 2HB LYS 48 -5.015 5.372 -3.384 324 HB3 LYS 48 1HB LYS 48 -3.797 5.282 -4.643 325 HG2 LYS 48 2HG LYS 48 -5.306 6.813 -5.490 326 HG3 LYS 48 1HG LYS 48 -5.781 5.314 -6.283 327 HD2 LYS 48 2HD LYS 48 -7.098 6.354 -3.777 328 HD3 LYS 48 1HD LYS 48 -7.663 6.743 -5.399 329 HE2 LYS 48 2HE LYS 48 -7.846 4.254 -5.793 330 HE3 LYS 48 1HE LYS 48 -7.565 4.048 -4.065 331 HZ1 LYS 48 3HZ LYS 48 -9.796 5.572 -5.302 332 HZ2 LYS 48 1HZ LYS 48 -9.523 5.420 -3.633 333 HZ3 LYS 48 2HZ LYS 48 -9.920 4.055 -4.561 334 H GLU 49 H GLU 49 -2.913 3.609 -5.887 335 HA GLU 49 HA GLU 49 -4.210 3.230 -8.403 336 HB2 GLU 49 2HB GLU 49 -1.346 3.496 -7.515 337 HB3 GLU 49 1HB GLU 49 -1.696 2.937 -9.145 338 HG2 GLU 49 2HG GLU 49 -2.637 4.988 -9.797 339 HG3 GLU 49 1HG GLU 49 -2.900 5.501 -8.128 340 H TYR 50 H TYR 50 -3.297 1.124 -6.011 341 HA TYR 50 HA TYR 50 -2.661 -1.104 -7.646 342 HB2 TYR 50 2HB TYR 50 -1.838 -1.065 -5.416 343 HB3 TYR 50 1HB TYR 50 -3.449 -0.794 -4.759 344 HD1 TYR 50 2HD TYR 50 -1.499 -3.284 -6.721 345 HD2 TYR 50 1HD TYR 50 -4.630 -2.549 -3.939 346 HE1 TYR 50 2HE TYR 50 -1.747 -5.701 -6.375 347 HE2 TYR 50 1HE TYR 50 -4.883 -4.985 -3.566 348 HH TYR 50 HH TYR 50 -2.602 -7.252 -4.692 349 H LEU 51 H LEU 51 -5.529 -0.000 -5.881 350 HA LEU 51 HA LEU 51 -7.255 -2.027 -6.729 351 HB2 LEU 51 2HB LEU 51 -7.629 0.717 -5.682 352 HB3 LEU 51 1HB LEU 51 -8.984 -0.003 -6.521 353 HG LEU 51 HG LEU 51 -9.558 -0.829 -4.542 354 HD11 LEU 51 1HD1 LEU 51 -8.522 -2.926 -3.854 355 HD12 LEU 51 2HD1 LEU 51 -7.158 -2.600 -4.925 356 HD13 LEU 51 3HD1 LEU 51 -8.767 -2.858 -5.599 357 HD21 LEU 51 3HD2 LEU 51 -8.142 0.695 -3.347 358 HD22 LEU 51 1HD2 LEU 51 -6.736 -0.340 -3.615 359 HD23 LEU 51 2HD2 LEU 51 -8.054 -0.891 -2.576 360 H GLN 52 H GLN 52 -6.312 0.990 -8.293 361 HA GLN 52 HA GLN 52 -8.241 0.664 -10.396 362 HB2 GLN 52 2HB GLN 52 -6.032 2.588 -9.868 363 HB3 GLN 52 1HB GLN 52 -6.598 2.426 -11.524 364 HG2 GLN 52 2HG GLN 52 -7.812 4.207 -10.613 365 HG3 GLN 52 1HG GLN 52 -8.925 2.841 -10.633 366 HE21 GLN 52 1HE2 GLN 52 -7.054 4.990 -8.686 367 HE22 GLN 52 2HE2 GLN 52 -7.792 4.584 -7.175 368 H LYS 53 H LYS 53 -4.823 -0.098 -10.020 369 HA LYS 53 HA LYS 53 -4.436 -0.961 -12.706 370 HB2 LYS 53 2HB LYS 53 -2.588 -0.347 -11.176 371 HB3 LYS 53 1HB LYS 53 -2.937 -1.789 -10.226 372 HG2 LYS 53 2HG LYS 53 -2.561 -3.098 -12.362 373 HG3 LYS 53 1HG LYS 53 -1.884 -1.609 -13.023 374 HD2 LYS 53 2HD LYS 53 -0.219 -1.558 -11.258 375 HD3 LYS 53 1HD LYS 53 -0.935 -2.992 -10.517 376 HE2 LYS 53 2HE LYS 53 -0.525 -4.062 -12.855 377 HE3 LYS 53 1HE LYS 53 0.630 -2.742 -13.046 378 HZ1 LYS 53 3HZ LYS 53 0.664 -4.567 -10.713 379 HZ2 LYS 53 1HZ LYS 53 1.879 -3.496 -11.223 380 HZ3 LYS 53 2HZ LYS 53 1.538 -4.885 -12.130 381 H ARG 54 H ARG 54 -6.024 -2.270 -10.026 382 HA ARG 54 HA ARG 54 -5.710 -5.014 -10.964 383 HB2 ARG 54 2HB ARG 54 -5.505 -4.039 -8.473 384 HB3 ARG 54 1HB ARG 54 -7.229 -4.367 -8.498 385 HG2 ARG 54 2HG ARG 54 -6.370 -6.334 -7.645 386 HG3 ARG 54 1HG ARG 54 -6.501 -6.704 -9.369 387 HD2 ARG 54 2HD ARG 54 -4.192 -6.388 -9.718 388 HD3 ARG 54 1HD ARG 54 -3.986 -5.611 -8.154 389 HE ARG 54 HE ARG 54 -4.908 -8.305 -7.901 390 HH11 ARG 54 1HH1 ARG 54 -2.076 -6.373 -8.554 391 HH12 ARG 54 2HH1 ARG 54 -0.963 -7.493 -7.834 392 HH21 ARG 54 1HH2 ARG 54 -3.466 -9.807 -6.960 393 HH22 ARG 54 2HH2 ARG 54 -1.764 -9.452 -6.897 394 H ASN 55 H ASN 55 -8.376 -3.242 -9.412 395 HA ASN 55 HA ASN 55 -10.119 -3.313 -11.593 396 HB2 ASN 55 2HB ASN 55 -11.763 -5.029 -10.584 397 HB3 ASN 55 1HB ASN 55 -10.396 -5.625 -11.509 398 HD21 ASN 55 1HD2 ASN 55 -10.488 -7.623 -10.546 399 HD22 ASN 55 2HD2 ASN 55 -9.982 -7.895 -8.912 400 H GLY 56 H GLY 56 -10.418 -3.881 -8.074 401 HA2 GLY 56 2HA GLY 56 -11.356 -2.566 -6.442 402 HA3 GLY 56 1HA GLY 56 -11.394 -1.241 -7.597 403 H LYS 11 H LYS 11 9.784 -13.307 3.321 404 HA LYS 11 HA LYS 11 10.670 -14.192 5.413 405 HB2 LYS 11 2HB LYS 11 12.405 -12.339 3.786 406 HB3 LYS 11 1HB LYS 11 13.054 -13.379 5.043 407 HG2 LYS 11 2HG LYS 11 12.140 -15.335 3.826 408 HG3 LYS 11 1HG LYS 11 11.656 -14.242 2.525 409 HD2 LYS 11 2HD LYS 11 13.950 -13.596 2.155 410 HD3 LYS 11 1HD LYS 11 14.477 -14.542 3.548 411 HE2 LYS 11 2HE LYS 11 13.688 -16.585 2.414 412 HE3 LYS 11 1HE LYS 11 13.259 -15.613 1.008 413 HZ1 LYS 11 2HZ LYS 11 15.433 -16.689 0.779 414 HZ2 LYS 11 3HZ LYS 11 15.994 -15.849 2.139 415 HZ3 LYS 11 1HZ LYS 11 15.558 -14.997 0.739 416 H GLN 12 H GLN 12 12.421 -11.172 5.316 417 HA GLN 12 HA GLN 12 12.178 -10.854 8.140 418 HB2 GLN 12 2HB GLN 12 13.418 -8.708 7.739 419 HB3 GLN 12 1HB GLN 12 14.235 -10.151 7.161 420 HG2 GLN 12 2HG GLN 12 13.553 -9.659 4.891 421 HG3 GLN 12 1HG GLN 12 12.652 -8.250 5.448 422 HE21 GLN 12 1HE2 GLN 12 14.871 -8.435 3.554 423 HE22 GLN 12 2HE2 GLN 12 16.102 -7.386 4.180 424 H LYS 13 H LYS 13 10.726 -9.751 9.240 425 HA LYS 13 HA LYS 13 8.647 -8.419 7.634 426 HB2 LYS 13 2HB LYS 13 7.052 -9.034 9.380 427 HB3 LYS 13 1HB LYS 13 7.845 -10.460 8.733 428 HG2 LYS 13 2HG LYS 13 9.346 -10.481 10.681 429 HG3 LYS 13 1HG LYS 13 8.497 -9.076 11.330 430 HD2 LYS 13 2HD LYS 13 6.407 -10.399 11.348 431 HD3 LYS 13 1HD LYS 13 7.323 -11.806 10.798 432 HE2 LYS 13 2HE LYS 13 7.614 -10.320 13.406 433 HE3 LYS 13 1HE LYS 13 7.063 -11.976 13.168 434 HZ1 LYS 13 3HZ LYS 13 9.256 -12.594 12.421 435 HZ2 LYS 13 1HZ LYS 13 9.363 -11.853 13.943 436 HZ3 LYS 13 2HZ LYS 13 9.798 -10.989 12.556 437 H ALA 14 H ALA 14 7.796 -6.510 8.265 438 HA ALA 14 HA ALA 14 8.928 -5.210 10.643 439 HB1 ALA 14 1HB ALA 14 8.665 -3.957 7.918 440 HB2 ALA 14 2HB ALA 14 10.169 -4.351 8.752 441 HB3 ALA 14 3HB ALA 14 9.097 -3.109 9.404 442 H VAL 15 H VAL 15 7.614 -3.329 11.297 443 HA VAL 15 HA VAL 15 4.779 -3.979 10.848 444 HB VAL 15 HB VAL 15 5.680 -2.105 12.987 445 HG11 VAL 15 1HG1 VAL 15 3.309 -2.325 12.631 446 HG12 VAL 15 2HG1 VAL 15 3.741 -3.044 14.182 447 HG13 VAL 15 3HG1 VAL 15 3.416 -4.079 12.792 448 HG21 VAL 15 3HG2 VAL 15 5.968 -3.977 14.553 449 HG22 VAL 15 1HG2 VAL 15 7.166 -3.998 13.260 450 HG23 VAL 15 2HG2 VAL 15 5.794 -5.109 13.209 451 H PHE 16 H PHE 16 3.288 -2.164 10.752 452 HA PHE 16 HA PHE 16 4.431 0.385 9.953 453 HB2 PHE 16 2HB PHE 16 4.061 -1.269 7.939 454 HB3 PHE 16 1HB PHE 16 2.376 -0.799 8.137 455 HD1 PHE 16 1HD PHE 16 5.523 1.146 8.453 456 HD2 PHE 16 2HD PHE 16 1.838 0.621 6.396 457 HE1 PHE 16 1HE PHE 16 5.977 3.171 7.133 458 HE2 PHE 16 2HE PHE 16 2.289 2.647 5.075 459 HZ PHE 16 HZ PHE 16 4.357 3.921 5.442 460 H GLY 17 H GLY 17 3.295 1.934 10.899 461 HA2 GLY 17 2HA GLY 17 0.457 1.406 11.530 462 HA3 GLY 17 1HA GLY 17 1.551 2.040 12.753 463 H ILE 18 H ILE 18 -0.290 2.756 9.901 464 HA ILE 18 HA ILE 18 0.529 5.579 10.120 465 HB ILE 18 HB ILE 18 0.172 5.819 7.711 466 HG12 ILE 18 2HG1 ILE 18 -0.058 2.804 7.641 467 HG13 ILE 18 1HG1 ILE 18 -1.437 3.893 7.506 468 HG21 ILE 18 1HG2 ILE 18 2.400 5.404 8.553 469 HG22 ILE 18 2HG2 ILE 18 2.183 4.601 6.996 470 HG23 ILE 18 3HG2 ILE 18 2.122 3.664 8.491 471 HD11 ILE 18 3HD1 ILE 18 -0.453 4.843 5.476 472 HD12 ILE 18 1HD1 ILE 18 -0.732 3.108 5.334 473 HD13 ILE 18 2HD1 ILE 18 0.897 3.718 5.619 474 H TYR 19 H TYR 19 -1.078 7.127 9.330 475 HA TYR 19 HA TYR 19 -3.820 6.143 9.725 476 HB2 TYR 19 2HB TYR 19 -2.770 8.979 9.929 477 HB3 TYR 19 1HB TYR 19 -4.432 8.477 10.202 478 HD1 TYR 19 1HD TYR 19 -4.669 6.547 12.042 479 HD2 TYR 19 2HD TYR 19 -1.443 9.307 11.766 480 HE1 TYR 19 1HE TYR 19 -4.182 6.218 14.431 481 HE2 TYR 19 2HE TYR 19 -0.946 8.978 14.152 482 HH TYR 19 HH TYR 19 -2.236 6.443 15.958 483 H MET 20 H MET 20 -4.309 5.502 7.679 484 HA MET 20 HA MET 20 -4.024 7.474 5.507 485 HB2 MET 20 2HB MET 20 -4.250 5.759 3.925 486 HB3 MET 20 1HB MET 20 -3.285 5.017 5.193 487 HG2 MET 20 2HG MET 20 -4.891 3.525 5.724 488 HG3 MET 20 1HG MET 20 -6.209 4.670 5.428 489 HE1 MET 20 3HE MET 20 -4.601 1.583 2.544 490 HE2 MET 20 1HE MET 20 -4.082 1.872 4.208 491 HE3 MET 20 2HE MET 20 -3.397 2.838 2.892 492 H ASP 21 H ASP 21 -6.066 7.236 3.855 493 HA ASP 21 HA ASP 21 -8.335 8.111 5.360 494 HB2 ASP 21 2HB ASP 21 -7.754 7.781 2.451 495 HB3 ASP 21 1HB ASP 21 -9.432 7.810 2.961 496 H LYS 22 H LYS 22 -10.487 7.168 5.173 497 HA LYS 22 HA LYS 22 -10.342 4.369 5.786 498 HB2 LYS 22 2HB LYS 22 -11.790 5.743 7.141 499 HB3 LYS 22 1HB LYS 22 -12.618 6.349 5.709 500 HG2 LYS 22 2HG LYS 22 -13.632 4.226 5.305 501 HG3 LYS 22 1HG LYS 22 -12.678 3.469 6.583 502 HD2 LYS 22 2HD LYS 22 -13.818 4.740 8.270 503 HD3 LYS 22 1HD LYS 22 -14.645 5.705 7.050 504 HE2 LYS 22 2HE LYS 22 -14.983 2.727 7.346 505 HE3 LYS 22 1HE LYS 22 -16.041 3.912 8.107 506 HZ1 LYS 22 3HZ LYS 22 -16.592 4.763 5.903 507 HZ2 LYS 22 1HZ LYS 22 -16.989 3.124 6.046 508 HZ3 LYS 22 2HZ LYS 22 -15.606 3.589 5.183 509 H ASP 23 H ASP 23 -12.241 6.292 3.505 510 HA ASP 23 HA ASP 23 -13.574 4.295 2.206 511 HB2 ASP 23 2HB ASP 23 -14.057 6.616 1.769 512 HB3 ASP 23 1HB ASP 23 -12.466 6.860 1.065 513 H LEU 24 H LEU 24 -10.288 5.367 1.602 514 HA LEU 24 HA LEU 24 -9.878 3.775 -0.711 515 HB2 LEU 24 2HB LEU 24 -8.521 5.624 -0.586 516 HB3 LEU 24 1HB LEU 24 -8.238 5.420 1.133 517 HG LEU 24 HG LEU 24 -7.030 3.222 0.260 518 HD11 LEU 24 1HD1 LEU 24 -5.746 3.755 -1.764 519 HD12 LEU 24 2HD1 LEU 24 -6.740 5.196 -1.990 520 HD13 LEU 24 3HD1 LEU 24 -7.474 3.593 -2.075 521 HD21 LEU 24 3HD2 LEU 24 -6.200 4.934 1.725 522 HD22 LEU 24 1HD2 LEU 24 -5.876 5.992 0.345 523 HD23 LEU 24 2HD2 LEU 24 -4.975 4.481 0.524 524 H LYS 25 H LYS 25 -8.433 3.550 2.583 525 HA LYS 25 HA LYS 25 -7.300 1.023 2.402 526 HB2 LYS 25 2HB LYS 25 -7.413 2.737 4.383 527 HB3 LYS 25 1HB LYS 25 -8.852 1.846 4.858 528 HG2 LYS 25 2HG LYS 25 -7.481 -0.223 4.901 529 HG3 LYS 25 1HG LYS 25 -6.057 0.777 4.592 530 HD2 LYS 25 2HD LYS 25 -5.996 0.644 6.882 531 HD3 LYS 25 1HD LYS 25 -6.939 2.123 6.662 532 HE2 LYS 25 2HE LYS 25 -8.166 -0.607 7.028 533 HE3 LYS 25 1HE LYS 25 -7.840 0.493 8.363 534 HZ1 LYS 25 3HZ LYS 25 -10.150 0.540 7.506 535 HZ2 LYS 25 1HZ LYS 25 -9.567 1.174 6.051 536 HZ3 LYS 25 2HZ LYS 25 -9.388 2.047 7.487 537 H THR 26 H THR 26 -10.593 1.999 2.968 538 HA THR 26 HA THR 26 -11.573 -0.587 3.694 539 HB THR 26 HB THR 26 -13.043 1.975 3.027 540 HG1 THR 26 1HG THR 26 -12.041 2.301 4.916 541 HG21 THR 26 3HG2 THR 26 -14.988 0.921 4.108 542 HG22 THR 26 1HG2 THR 26 -14.083 -0.583 4.283 543 HG23 THR 26 2HG2 THR 26 -14.495 0.015 2.677 544 H ARG 27 H ARG 27 -11.461 1.334 0.784 545 HA ARG 27 HA ARG 27 -13.013 -0.243 -0.920 546 HB2 ARG 27 2HB ARG 27 -12.237 1.834 -1.763 547 HB3 ARG 27 1HB ARG 27 -10.574 1.480 -1.338 548 HG2 ARG 27 2HG ARG 27 -10.780 1.365 -3.699 549 HG3 ARG 27 1HG ARG 27 -10.549 -0.269 -3.074 550 HD2 ARG 27 2HD ARG 27 -12.254 -0.281 -4.801 551 HD3 ARG 27 1HD ARG 27 -12.987 -0.646 -3.239 552 HE ARG 27 HE ARG 27 -13.201 2.113 -3.652 553 HH11 ARG 27 1HH1 ARG 27 -14.391 -0.829 -5.151 554 HH12 ARG 27 2HH1 ARG 27 -15.894 -0.117 -5.633 555 HH21 ARG 27 1HH2 ARG 27 -15.172 3.050 -4.321 556 HH22 ARG 27 2HH2 ARG 27 -16.323 2.086 -5.197 557 H LEU 28 H LEU 28 -9.510 -0.348 -0.358 558 HA LEU 28 HA LEU 28 -8.981 -2.768 -1.610 559 HB2 LEU 28 2HB LEU 28 -7.380 -1.032 -0.846 560 HB3 LEU 28 1HB LEU 28 -7.599 -1.596 0.799 561 HG LEU 28 HG LEU 28 -5.530 -2.350 -0.497 562 HD11 LEU 28 1HD1 LEU 28 -6.352 -3.254 1.656 563 HD12 LEU 28 2HD1 LEU 28 -5.489 -4.432 0.661 564 HD13 LEU 28 3HD1 LEU 28 -7.252 -4.470 0.747 565 HD21 LEU 28 3HD2 LEU 28 -6.711 -2.931 -2.547 566 HD22 LEU 28 1HD2 LEU 28 -7.579 -4.201 -1.688 567 HD23 LEU 28 2HD2 LEU 28 -5.828 -4.314 -1.892 568 H LYS 29 H LYS 29 -10.089 -2.121 1.694 569 HA LYS 29 HA LYS 29 -9.856 -4.675 2.778 570 HB2 LYS 29 2HB LYS 29 -10.452 -2.799 4.167 571 HB3 LYS 29 1HB LYS 29 -11.919 -2.528 3.242 572 HG2 LYS 29 2HG LYS 29 -11.587 -5.124 4.655 573 HG3 LYS 29 1HG LYS 29 -11.993 -3.683 5.587 574 HD2 LYS 29 2HD LYS 29 -13.937 -3.302 4.143 575 HD3 LYS 29 1HD LYS 29 -13.530 -4.748 3.215 576 HE2 LYS 29 2HE LYS 29 -13.847 -6.120 5.199 577 HE3 LYS 29 1HE LYS 29 -14.204 -4.681 6.153 578 HZ1 LYS 29 3HZ LYS 29 -16.224 -5.806 5.504 579 HZ2 LYS 29 1HZ LYS 29 -15.804 -5.698 3.864 580 HZ3 LYS 29 2HZ LYS 29 -16.144 -4.292 4.746 581 H VAL 30 H VAL 30 -12.474 -3.283 0.873 582 HA VAL 30 HA VAL 30 -14.122 -5.570 0.917 583 HB VAL 30 HB VAL 30 -14.009 -3.311 -1.057 584 HG11 VAL 30 1HG1 VAL 30 -15.171 -5.196 -2.031 585 HG12 VAL 30 2HG1 VAL 30 -16.330 -3.937 -1.601 586 HG13 VAL 30 3HG1 VAL 30 -16.161 -5.367 -0.581 587 HG21 VAL 30 3HG2 VAL 30 -15.806 -2.353 0.269 588 HG22 VAL 30 1HG2 VAL 30 -14.379 -2.646 1.269 589 HG23 VAL 30 2HG2 VAL 30 -15.758 -3.744 1.355 590 H TYR 31 H TYR 31 -11.569 -4.501 -1.158 591 HA TYR 31 HA TYR 31 -11.777 -6.455 -3.158 592 HB2 TYR 31 2HB TYR 31 -10.380 -4.485 -3.440 593 HB3 TYR 31 1HB TYR 31 -9.361 -4.981 -2.086 594 HD1 TYR 31 1HD TYR 31 -10.461 -5.993 -5.474 595 HD2 TYR 31 2HD TYR 31 -7.525 -6.372 -2.427 596 HE1 TYR 31 1HE TYR 31 -9.059 -7.283 -7.002 597 HE2 TYR 31 2HE TYR 31 -6.099 -7.661 -3.951 598 HH TYR 31 HH TYR 31 -6.337 -9.049 -5.976 599 H CYS 32 H CYS 32 -10.196 -6.375 -0.017 600 HA CYS 32 HA CYS 32 -8.907 -8.896 -0.261 601 HB2 CYS 32 2HB CYS 32 -9.668 -7.326 2.205 602 HB3 CYS 32 1HB CYS 32 -8.620 -8.738 2.196 603 HG CYS 32 HG CYS 32 -7.969 -5.717 0.739 604 H ALA 33 H ALA 33 -12.036 -7.891 0.911 605 HA ALA 33 HA ALA 33 -12.739 -10.378 2.092 606 HB1 ALA 33 1HB ALA 33 -14.990 -9.431 2.189 607 HB2 ALA 33 2HB ALA 33 -14.483 -8.118 1.123 608 HB3 ALA 33 3HB ALA 33 -13.782 -8.266 2.734 609 H LYS 34 H LYS 34 -13.159 -8.920 -1.060 610 HA LYS 34 HA LYS 34 -14.952 -10.854 -2.079 611 HB2 LYS 34 2HB LYS 34 -14.839 -8.559 -2.928 612 HB3 LYS 34 1HB LYS 34 -13.192 -8.834 -3.472 613 HG2 LYS 34 2HG LYS 34 -14.022 -10.518 -5.055 614 HG3 LYS 34 1HG LYS 34 -15.670 -10.164 -4.529 615 HD2 LYS 34 2HD LYS 34 -15.449 -7.865 -5.269 616 HD3 LYS 34 1HD LYS 34 -13.763 -8.140 -5.705 617 HE2 LYS 34 2HE LYS 34 -14.468 -9.753 -7.405 618 HE3 LYS 34 1HE LYS 34 -16.154 -9.484 -6.961 619 HZ1 LYS 34 3HZ LYS 34 -15.970 -7.204 -7.657 620 HZ2 LYS 34 1HZ LYS 34 -15.476 -8.210 -8.931 621 HZ3 LYS 34 2HZ LYS 34 -14.320 -7.384 -7.999 622 H ASN 35 H ASN 35 -11.464 -10.457 -2.207 623 HA ASN 35 HA ASN 35 -11.250 -12.870 -3.851 624 HB2 ASN 35 2HB ASN 35 -9.206 -10.838 -2.960 625 HB3 ASN 35 1HB ASN 35 -8.784 -12.312 -3.821 626 HD21 ASN 35 1HD2 ASN 35 -10.397 -9.234 -4.028 627 HD22 ASN 35 2HD2 ASN 35 -10.494 -9.184 -5.765 628 H ASN 36 H ASN 36 -11.631 -12.191 -0.711 629 HA ASN 36 HA ASN 36 -11.099 -13.167 1.275 630 HB2 ASN 36 2HB ASN 36 -10.431 -15.449 -0.570 631 HB3 ASN 36 1HB ASN 36 -10.311 -15.595 1.180 632 HD21 ASN 36 1HD2 ASN 36 -12.288 -15.945 -1.486 633 HD22 ASN 36 2HD2 ASN 36 -13.803 -16.083 -0.666 634 H LEU 37 H LEU 37 -9.098 -11.658 -0.306 635 HA LEU 37 HA LEU 37 -6.515 -12.715 0.347 636 HB2 LEU 37 2HB LEU 37 -7.605 -10.409 -1.052 637 HB3 LEU 37 1HB LEU 37 -6.229 -9.989 -0.053 638 HG LEU 37 HG LEU 37 -4.841 -11.620 -1.207 639 HD11 LEU 37 1HD1 LEU 37 -6.569 -13.270 -1.708 640 HD12 LEU 37 2HD1 LEU 37 -5.653 -12.830 -3.148 641 HD13 LEU 37 3HD1 LEU 37 -7.271 -12.175 -2.899 642 HD21 LEU 37 3HD2 LEU 37 -4.943 -9.365 -2.099 643 HD22 LEU 37 1HD2 LEU 37 -6.339 -9.799 -3.086 644 HD23 LEU 37 2HD2 LEU 37 -4.769 -10.536 -3.405 645 H GLN 38 H GLN 38 -4.982 -11.548 1.700 646 HA GLN 38 HA GLN 38 -6.206 -10.728 4.204 647 HB2 GLN 38 2HB GLN 38 -3.306 -11.180 3.489 648 HB3 GLN 38 1HB GLN 38 -3.914 -10.826 5.101 649 HG2 GLN 38 2HG GLN 38 -5.165 -12.898 5.108 650 HG3 GLN 38 1HG GLN 38 -4.630 -13.241 3.468 651 HE21 GLN 38 1HE2 GLN 38 -2.469 -13.845 3.113 652 HE22 GLN 38 2HE2 GLN 38 -1.462 -14.411 4.405 653 H LEU 39 H LEU 39 -6.228 -8.639 4.899 654 HA LEU 39 HA LEU 39 -5.931 -6.456 3.304 655 HB2 LEU 39 2HB LEU 39 -6.247 -6.914 6.077 656 HB3 LEU 39 1HB LEU 39 -5.022 -5.677 5.885 657 HG LEU 39 HG LEU 39 -7.084 -4.547 6.138 658 HD11 LEU 39 1HD1 LEU 39 -7.371 -3.393 3.992 659 HD12 LEU 39 2HD1 LEU 39 -6.387 -4.631 3.212 660 HD13 LEU 39 3HD1 LEU 39 -5.673 -3.582 4.434 661 HD21 LEU 39 3HD2 LEU 39 -9.050 -4.994 4.776 662 HD22 LEU 39 1HD2 LEU 39 -8.572 -6.425 5.687 663 HD23 LEU 39 2HD2 LEU 39 -8.203 -6.312 3.967 664 H THR 40 H THR 40 -3.421 -7.721 5.467 665 HA THR 40 HA THR 40 -1.434 -5.869 4.818 666 HB THR 40 HB THR 40 -0.950 -8.741 5.594 667 HG1 THR 40 1HG THR 40 -2.424 -7.855 7.072 668 HG21 THR 40 3HG2 THR 40 0.626 -6.226 6.136 669 HG22 THR 40 1HG2 THR 40 1.056 -7.484 4.976 670 HG23 THR 40 2HG2 THR 40 1.042 -7.842 6.704 671 H GLN 41 H GLN 41 -2.058 -9.086 3.508 672 HA GLN 41 HA GLN 41 0.023 -9.263 1.686 673 HB2 GLN 41 2HB GLN 41 -1.680 -11.031 2.394 674 HB3 GLN 41 1HB GLN 41 -2.765 -10.319 1.213 675 HG2 GLN 41 2HG GLN 41 -1.085 -10.782 -0.542 676 HG3 GLN 41 1HG GLN 41 -0.103 -11.606 0.671 677 HE21 GLN 41 1HE2 GLN 41 -2.943 -11.748 -1.289 678 HE22 GLN 41 2HE2 GLN 41 -3.333 -13.405 -0.981 679 H ALA 42 H ALA 42 -3.134 -7.743 1.405 680 HA ALA 42 HA ALA 42 -2.964 -7.116 -1.373 681 HB1 ALA 42 1HB ALA 42 -4.617 -5.806 0.763 682 HB2 ALA 42 2HB ALA 42 -5.076 -7.254 -0.134 683 HB3 ALA 42 3HB ALA 42 -4.881 -5.716 -0.979 684 H ILE 43 H ILE 43 -2.340 -5.237 1.601 685 HA ILE 43 HA ILE 43 -1.591 -2.837 0.353 686 HB ILE 43 HB ILE 43 -1.083 -4.059 3.001 687 HG12 ILE 43 2HG1 ILE 43 -1.789 -1.757 3.716 688 HG13 ILE 43 1HG1 ILE 43 -1.959 -1.341 2.016 689 HG21 ILE 43 1HG2 ILE 43 1.180 -3.443 2.379 690 HG22 ILE 43 2HG2 ILE 43 0.566 -2.377 3.652 691 HG23 ILE 43 3HG2 ILE 43 0.639 -1.803 1.981 692 HD11 ILE 43 3HD1 ILE 43 -3.626 -3.155 1.792 693 HD12 ILE 43 1HD1 ILE 43 -4.106 -1.874 2.907 694 HD13 ILE 43 2HD1 ILE 43 -3.512 -3.411 3.537 695 H GLU 44 H GLU 44 0.340 -5.654 1.250 696 HA GLU 44 HA GLU 44 2.820 -4.652 0.417 697 HB2 GLU 44 2HB GLU 44 1.827 -7.499 0.536 698 HB3 GLU 44 1HB GLU 44 3.505 -7.044 0.281 699 HG2 GLU 44 2HG GLU 44 3.470 -5.894 2.470 700 HG3 GLU 44 1HG GLU 44 1.839 -6.502 2.721 701 H GLU 45 H GLU 45 0.435 -6.625 -1.329 702 HA GLU 45 HA GLU 45 1.760 -6.695 -3.801 703 HB2 GLU 45 2HB GLU 45 -1.185 -6.712 -3.109 704 HB3 GLU 45 1HB GLU 45 -0.590 -6.940 -4.745 705 HG2 GLU 45 2HG GLU 45 0.386 -8.700 -2.546 706 HG3 GLU 45 1HG GLU 45 -1.191 -8.986 -3.280 707 H ALA 46 H ALA 46 -0.404 -4.339 -2.346 708 HA ALA 46 HA ALA 46 -0.739 -2.682 -4.585 709 HB1 ALA 46 1HB ALA 46 -2.153 -2.618 -2.540 710 HB2 ALA 46 2HB ALA 46 -1.581 -1.024 -3.039 711 HB3 ALA 46 3HB ALA 46 -0.817 -1.857 -1.676 712 H ILE 47 H ILE 47 1.431 -2.377 -1.788 713 HA ILE 47 HA ILE 47 2.727 -0.090 -2.770 714 HB ILE 47 HB ILE 47 2.564 -0.688 -0.381 715 HG12 ILE 47 2HG1 ILE 47 5.444 -0.494 -1.218 716 HG13 ILE 47 1HG1 ILE 47 4.322 0.862 -1.286 717 HG21 ILE 47 1HG2 ILE 47 2.900 -3.051 -0.435 718 HG22 ILE 47 2HG2 ILE 47 4.171 -2.325 0.555 719 HG23 ILE 47 3HG2 ILE 47 4.527 -2.847 -1.092 720 HD11 ILE 47 3HD1 ILE 47 3.958 0.681 1.118 721 HD12 ILE 47 1HD1 ILE 47 5.658 0.949 0.726 722 HD13 ILE 47 2HD1 ILE 47 5.101 -0.665 1.188 723 H LYS 48 H LYS 48 3.220 -3.503 -3.218 724 HA LYS 48 HA LYS 48 5.913 -3.359 -4.110 725 HB2 LYS 48 2HB LYS 48 4.972 -5.463 -3.335 726 HB3 LYS 48 1HB LYS 48 3.734 -5.400 -4.574 727 HG2 LYS 48 2HG LYS 48 5.220 -6.950 -5.412 728 HG3 LYS 48 1HG LYS 48 5.693 -5.470 -6.242 729 HD2 LYS 48 2HD LYS 48 7.035 -6.464 -3.734 730 HD3 LYS 48 1HD LYS 48 7.579 -6.889 -5.355 731 HE2 LYS 48 2HE LYS 48 7.762 -4.407 -5.802 732 HE3 LYS 48 1HE LYS 48 7.517 -4.168 -4.071 733 HZ1 LYS 48 3HZ LYS 48 9.709 -5.733 -5.321 734 HZ2 LYS 48 1HZ LYS 48 9.479 -5.539 -3.652 735 HZ3 LYS 48 2HZ LYS 48 9.867 -4.201 -4.616 736 H GLU 49 H GLU 49 2.837 -3.758 -5.844 737 HA GLU 49 HA GLU 49 4.092 -3.443 -8.388 738 HB2 GLU 49 2HB GLU 49 1.246 -3.682 -7.444 739 HB3 GLU 49 1HB GLU 49 1.566 -3.159 -9.092 740 HG2 GLU 49 2HG GLU 49 2.495 -5.221 -9.716 741 HG3 GLU 49 1HG GLU 49 2.784 -5.701 -8.041 742 H TYR 50 H TYR 50 3.220 -1.277 -6.032 743 HA TYR 50 HA TYR 50 2.560 0.910 -7.712 744 HB2 TYR 50 2HB TYR 50 1.772 0.925 -5.466 745 HB3 TYR 50 1HB TYR 50 3.396 0.670 -4.834 746 HD1 TYR 50 2HD TYR 50 1.415 3.119 -6.820 747 HD2 TYR 50 1HD TYR 50 4.589 2.446 -4.073 748 HE1 TYR 50 2HE TYR 50 1.672 5.544 -6.539 749 HE2 TYR 50 1HE TYR 50 4.850 4.889 -3.762 750 HH TYR 50 HH TYR 50 2.558 7.131 -4.903 751 H LEU 51 H LEU 51 5.454 -0.167 -5.975 752 HA LEU 51 HA LEU 51 7.167 1.845 -6.892 753 HB2 LEU 51 2HB LEU 51 7.558 -0.874 -5.785 754 HB3 LEU 51 1HB LEU 51 8.899 -0.172 -6.663 755 HG LEU 51 HG LEU 51 9.506 0.698 -4.710 756 HD11 LEU 51 1HD1 LEU 51 8.491 2.810 -4.059 757 HD12 LEU 51 2HD1 LEU 51 7.103 2.465 -5.093 758 HD13 LEU 51 3HD1 LEU 51 8.699 2.698 -5.807 759 HD21 LEU 51 3HD2 LEU 51 8.105 -0.790 -3.458 760 HD22 LEU 51 1HD2 LEU 51 6.697 0.243 -3.727 761 HD23 LEU 51 2HD2 LEU 51 8.036 0.816 -2.725 762 H GLN 52 H GLN 52 6.197 -1.201 -8.366 763 HA GLN 52 HA GLN 52 8.093 -0.930 -10.504 764 HB2 GLN 52 2HB GLN 52 5.892 -2.838 -9.895 765 HB3 GLN 52 1HB GLN 52 6.429 -2.717 -11.563 766 HG2 GLN 52 2HG GLN 52 7.654 -4.480 -10.631 767 HG3 GLN 52 1HG GLN 52 8.769 -3.119 -10.704 768 HE21 GLN 52 1HE2 GLN 52 6.920 -5.212 -8.665 769 HE22 GLN 52 2HE2 GLN 52 7.692 -4.768 -7.179 770 H LYS 53 H LYS 53 4.688 -0.147 -10.088 771 HA LYS 53 HA LYS 53 4.259 0.648 -12.789 772 HB2 LYS 53 2HB LYS 53 2.432 0.072 -11.218 773 HB3 LYS 53 1HB LYS 53 2.797 1.535 -10.306 774 HG2 LYS 53 2HG LYS 53 2.394 2.795 -12.467 775 HG3 LYS 53 1HG LYS 53 1.706 1.293 -13.083 776 HD2 LYS 53 2HD LYS 53 0.064 1.285 -11.294 777 HD3 LYS 53 1HD LYS 53 0.793 2.736 -10.598 778 HE2 LYS 53 2HE LYS 53 0.348 3.755 -12.948 779 HE3 LYS 53 1HE LYS 53 -0.804 2.426 -13.100 780 HZ1 LYS 53 3HZ LYS 53 -0.817 4.297 -10.803 781 HZ2 LYS 53 1HZ LYS 53 -2.031 3.206 -11.276 782 HZ3 LYS 53 2HZ LYS 53 -1.708 4.580 -12.219 783 H ARG 54 H ARG 54 5.887 2.015 -10.162 784 HA ARG 54 HA ARG 54 5.562 4.734 -11.160 785 HB2 ARG 54 2HB ARG 54 5.394 3.824 -8.647 786 HB3 ARG 54 1HB ARG 54 7.119 4.144 -8.705 787 HG2 ARG 54 2HG ARG 54 6.281 6.131 -7.887 788 HG3 ARG 54 1HG ARG 54 6.387 6.461 -9.621 789 HD2 ARG 54 2HD ARG 54 4.071 6.140 -9.927 790 HD3 ARG 54 1HD ARG 54 3.893 5.402 -8.341 791 HE ARG 54 HE ARG 54 4.825 8.090 -8.155 792 HH11 ARG 54 1HH1 ARG 54 1.978 6.160 -8.737 793 HH12 ARG 54 2HH1 ARG 54 0.880 7.298 -8.027 794 HH21 ARG 54 1HH2 ARG 54 3.386 9.624 -7.215 795 HH22 ARG 54 2HH2 ARG 54 1.686 9.275 -7.152 796 H ASN 55 H ASN 55 8.253 2.993 -9.616 797 HA ASN 55 HA ASN 55 9.955 3.013 -11.827 798 HB2 ASN 55 2HB ASN 55 11.618 4.752 -10.890 799 HB3 ASN 55 1HB ASN 55 10.236 5.327 -11.805 800 HD21 ASN 55 1HD2 ASN 55 10.333 7.346 -10.888 801 HD22 ASN 55 2HD2 ASN 55 9.884 7.657 -9.247 802 H GLY 56 H GLY 56 10.317 3.656 -8.330 803 HA2 GLY 56 2HA GLY 56 11.286 2.377 -6.687 804 HA3 GLY 56 1HA GLY 56 11.301 1.026 -7.812 Start of MODEL 9 1 H LYS 11 H LYS 11 -11.007 12.351 1.966 2 HA LYS 11 HA LYS 11 -9.546 13.195 3.664 3 HB2 LYS 11 2HB LYS 11 -12.423 14.049 4.036 4 HB3 LYS 11 1HB LYS 11 -11.015 14.974 4.541 5 HG2 LYS 11 2HG LYS 11 -11.732 14.247 1.708 6 HG3 LYS 11 1HG LYS 11 -11.921 15.831 2.461 7 HD2 LYS 11 2HD LYS 11 -9.529 16.036 2.725 8 HD3 LYS 11 1HD LYS 11 -9.290 14.395 2.120 9 HE2 LYS 11 2HE LYS 11 -10.220 15.065 -0.045 10 HE3 LYS 11 1HE LYS 11 -10.443 16.706 0.561 11 HZ1 LYS 11 2HZ LYS 11 -8.068 16.917 0.830 12 HZ2 LYS 11 3HZ LYS 11 -8.418 16.465 -0.767 13 HZ3 LYS 11 1HZ LYS 11 -7.828 15.312 0.328 14 H GLN 12 H GLN 12 -12.366 11.491 4.977 15 HA GLN 12 HA GLN 12 -11.536 11.712 7.689 16 HB2 GLN 12 2HB GLN 12 -13.137 9.906 8.141 17 HB3 GLN 12 1HB GLN 12 -13.853 11.153 7.133 18 HG2 GLN 12 2HG GLN 12 -13.545 9.753 5.163 19 HG3 GLN 12 1HG GLN 12 -12.787 8.513 6.160 20 HE21 GLN 12 1HE2 GLN 12 -14.650 8.981 8.384 21 HE22 GLN 12 2HE2 GLN 12 -16.143 8.247 7.907 22 H LYS 13 H LYS 13 -10.262 10.346 8.918 23 HA LYS 13 HA LYS 13 -8.516 8.693 7.218 24 HB2 LYS 13 2HB LYS 13 -6.688 9.190 8.756 25 HB3 LYS 13 1HB LYS 13 -7.371 10.669 8.105 26 HG2 LYS 13 2HG LYS 13 -8.612 10.997 10.193 27 HG3 LYS 13 1HG LYS 13 -7.906 9.509 10.835 28 HD2 LYS 13 2HD LYS 13 -5.650 10.522 10.492 29 HD3 LYS 13 1HD LYS 13 -6.445 12.030 10.046 30 HE2 LYS 13 2HE LYS 13 -6.568 10.616 12.708 31 HE3 LYS 13 1HE LYS 13 -5.782 12.152 12.352 32 HZ1 LYS 13 3HZ LYS 13 -8.005 13.046 11.784 33 HZ2 LYS 13 1HZ LYS 13 -7.853 12.583 13.411 34 HZ3 LYS 13 2HZ LYS 13 -8.695 11.594 12.324 35 H ALA 14 H ALA 14 -7.503 6.868 8.119 36 HA ALA 14 HA ALA 14 -8.718 5.733 10.536 37 HB1 ALA 14 1HB ALA 14 -8.369 4.277 7.915 38 HB2 ALA 14 2HB ALA 14 -9.906 4.759 8.641 39 HB3 ALA 14 3HB ALA 14 -8.893 3.555 9.437 40 H VAL 15 H VAL 15 -7.387 3.780 11.240 41 HA VAL 15 HA VAL 15 -4.541 4.384 10.763 42 HB VAL 15 HB VAL 15 -5.472 2.656 13.014 43 HG11 VAL 15 1HG1 VAL 15 -3.102 2.752 12.590 44 HG12 VAL 15 2HG1 VAL 15 -3.475 3.543 14.123 45 HG13 VAL 15 3HG1 VAL 15 -3.132 4.513 12.691 46 HG21 VAL 15 3HG2 VAL 15 -5.427 5.665 13.075 47 HG22 VAL 15 1HG2 VAL 15 -5.626 4.615 14.482 48 HG23 VAL 15 2HG2 VAL 15 -6.855 4.633 13.218 49 H PHE 16 H PHE 16 -3.096 2.491 10.807 50 HA PHE 16 HA PHE 16 -4.293 -0.068 10.154 51 HB2 PHE 16 2HB PHE 16 -4.055 1.465 8.041 52 HB3 PHE 16 1HB PHE 16 -2.350 1.058 8.168 53 HD1 PHE 16 1HD PHE 16 -5.443 -0.946 8.680 54 HD2 PHE 16 2HD PHE 16 -1.824 -0.439 6.503 55 HE1 PHE 16 1HE PHE 16 -5.892 -3.032 7.454 56 HE2 PHE 16 2HE PHE 16 -2.270 -2.522 5.272 57 HZ PHE 16 HZ PHE 16 -4.301 -3.822 5.754 58 H GLY 17 H GLY 17 -3.114 -1.586 11.084 59 HA2 GLY 17 2HA GLY 17 -0.230 -1.096 11.492 60 HA3 GLY 17 1HA GLY 17 -1.245 -1.674 12.809 61 H ILE 18 H ILE 18 0.573 -2.542 10.040 62 HA ILE 18 HA ILE 18 -0.366 -5.324 10.281 63 HB ILE 18 HB ILE 18 -0.032 -5.599 7.860 64 HG12 ILE 18 2HG1 ILE 18 0.188 -2.582 7.770 65 HG13 ILE 18 1HG1 ILE 18 1.574 -3.665 7.626 66 HG21 ILE 18 1HG2 ILE 18 -2.246 -5.203 8.710 67 HG22 ILE 18 2HG2 ILE 18 -2.054 -4.342 7.181 68 HG23 ILE 18 3HG2 ILE 18 -1.968 -3.460 8.708 69 HD11 ILE 18 3HD1 ILE 18 0.792 -2.864 5.462 70 HD12 ILE 18 1HD1 ILE 18 -0.794 -3.562 5.773 71 HD13 ILE 18 2HD1 ILE 18 0.612 -4.614 5.604 72 H TYR 19 H TYR 19 1.202 -6.868 9.181 73 HA TYR 19 HA TYR 19 3.966 -5.994 9.686 74 HB2 TYR 19 2HB TYR 19 2.803 -8.783 9.909 75 HB3 TYR 19 1HB TYR 19 4.492 -8.359 10.174 76 HD1 TYR 19 2HD TYR 19 4.919 -6.536 12.014 77 HD2 TYR 19 1HD TYR 19 1.362 -8.857 11.719 78 HE1 TYR 19 2HE TYR 19 4.436 -6.094 14.379 79 HE2 TYR 19 1HE TYR 19 0.865 -8.408 14.085 80 HH TYR 19 HH TYR 19 2.195 -7.800 16.167 81 H MET 20 H MET 20 4.585 -5.392 7.709 82 HA MET 20 HA MET 20 4.143 -7.223 5.442 83 HB2 MET 20 2HB MET 20 4.506 -5.270 3.989 84 HB3 MET 20 1HB MET 20 3.191 -4.983 5.120 85 HG2 MET 20 2HG MET 20 4.919 -3.794 6.569 86 HG3 MET 20 1HG MET 20 5.967 -3.838 5.153 87 HE1 MET 20 3HE MET 20 3.951 -1.666 2.581 88 HE2 MET 20 1HE MET 20 4.018 -3.420 2.737 89 HE3 MET 20 2HE MET 20 5.493 -2.460 2.903 90 H ASP 21 H ASP 21 5.956 -7.325 3.814 91 HA ASP 21 HA ASP 21 8.352 -8.100 5.022 92 HB2 ASP 21 2HB ASP 21 7.550 -7.575 2.198 93 HB3 ASP 21 1HB ASP 21 9.260 -7.656 2.569 94 H LYS 22 H LYS 22 10.494 -7.203 4.752 95 HA LYS 22 HA LYS 22 10.464 -4.425 5.495 96 HB2 LYS 22 2HB LYS 22 11.940 -5.939 6.699 97 HB3 LYS 22 1HB LYS 22 12.725 -6.413 5.193 98 HG2 LYS 22 2HG LYS 22 13.620 -4.184 4.919 99 HG3 LYS 22 1HG LYS 22 12.785 -3.646 6.381 100 HD2 LYS 22 2HD LYS 22 14.097 -5.214 7.718 101 HD3 LYS 22 1HD LYS 22 14.915 -5.781 6.260 102 HE2 LYS 22 2HE LYS 22 15.844 -3.554 5.902 103 HE3 LYS 22 1HE LYS 22 15.002 -2.963 7.336 104 HZ1 LYS 22 3HZ LYS 22 17.353 -3.496 7.739 105 HZ2 LYS 22 1HZ LYS 22 17.052 -5.117 7.344 106 HZ3 LYS 22 2HZ LYS 22 16.309 -4.419 8.701 107 H ASP 23 H ASP 23 12.306 -6.257 3.058 108 HA ASP 23 HA ASP 23 13.528 -4.159 1.800 109 HB2 ASP 23 2HB ASP 23 14.050 -6.474 1.246 110 HB3 ASP 23 1HB ASP 23 12.474 -6.664 0.487 111 H LEU 24 H LEU 24 10.286 -5.379 1.229 112 HA LEU 24 HA LEU 24 9.712 -3.764 -1.004 113 HB2 LEU 24 2HB LEU 24 8.350 -5.600 -0.797 114 HB3 LEU 24 1HB LEU 24 8.186 -5.405 0.938 115 HG LEU 24 HG LEU 24 6.971 -3.151 -0.078 116 HD11 LEU 24 1HD1 LEU 24 6.403 -5.530 -1.819 117 HD12 LEU 24 2HD1 LEU 24 6.906 -3.911 -2.317 118 HD13 LEU 24 3HD1 LEU 24 5.297 -4.170 -1.646 119 HD21 LEU 24 3HD2 LEU 24 6.360 -4.545 1.838 120 HD22 LEU 24 1HD2 LEU 24 5.726 -5.767 0.731 121 HD23 LEU 24 2HD2 LEU 24 4.975 -4.170 0.803 122 H LYS 25 H LYS 25 8.572 -3.495 2.383 123 HA LYS 25 HA LYS 25 7.373 -0.975 2.115 124 HB2 LYS 25 2HB LYS 25 7.169 -2.598 4.045 125 HB3 LYS 25 1HB LYS 25 8.745 -2.041 4.590 126 HG2 LYS 25 2HG LYS 25 7.778 0.276 4.659 127 HG3 LYS 25 1HG LYS 25 6.204 -0.473 4.392 128 HD2 LYS 25 2HD LYS 25 6.246 -0.364 6.688 129 HD3 LYS 25 1HD LYS 25 6.915 -1.977 6.411 130 HE2 LYS 25 2HE LYS 25 8.546 0.527 6.848 131 HE3 LYS 25 1HE LYS 25 8.177 -0.666 8.093 132 HZ1 LYS 25 3HZ LYS 25 9.333 -2.331 6.696 133 HZ2 LYS 25 1HZ LYS 25 10.351 -1.090 7.231 134 HZ3 LYS 25 2HZ LYS 25 9.788 -1.095 5.639 135 H THR 26 H THR 26 10.656 -1.971 2.680 136 HA THR 26 HA THR 26 11.653 0.598 3.460 137 HB THR 26 HB THR 26 12.995 -2.008 2.747 138 HG1 THR 26 1HG THR 26 13.479 -0.940 5.202 139 HG21 THR 26 3HG2 THR 26 15.118 -1.017 3.485 140 HG22 THR 26 1HG2 THR 26 14.333 0.554 3.647 141 HG23 THR 26 2HG2 THR 26 14.498 -0.190 2.056 142 H ARG 27 H ARG 27 11.491 -1.255 0.501 143 HA ARG 27 HA ARG 27 13.000 0.370 -1.190 144 HB2 ARG 27 2HB ARG 27 12.235 -1.699 -2.054 145 HB3 ARG 27 1HB ARG 27 10.572 -1.368 -1.601 146 HG2 ARG 27 2HG ARG 27 10.816 -1.245 -3.987 147 HG3 ARG 27 1HG ARG 27 10.454 0.352 -3.325 148 HD2 ARG 27 2HD ARG 27 12.204 0.402 -5.075 149 HD3 ARG 27 1HD ARG 27 12.769 1.004 -3.518 150 HE ARG 27 HE ARG 27 13.307 -1.801 -3.941 151 HH11 ARG 27 1HH1 ARG 27 14.466 1.451 -4.533 152 HH12 ARG 27 2HH1 ARG 27 16.135 0.984 -4.596 153 HH21 ARG 27 1HH2 ARG 27 15.481 -2.421 -4.027 154 HH22 ARG 27 2HH2 ARG 27 16.718 -1.232 -4.299 155 H LEU 28 H LEU 28 9.512 0.417 -0.608 156 HA LEU 28 HA LEU 28 8.904 2.832 -1.795 157 HB2 LEU 28 2HB LEU 28 7.388 1.035 -0.989 158 HB3 LEU 28 1HB LEU 28 7.629 1.615 0.648 159 HG LEU 28 HG LEU 28 5.499 2.288 -0.553 160 HD11 LEU 28 1HD1 LEU 28 6.389 3.301 1.518 161 HD12 LEU 28 2HD1 LEU 28 5.457 4.422 0.519 162 HD13 LEU 28 3HD1 LEU 28 7.221 4.503 0.527 163 HD21 LEU 28 3HD2 LEU 28 5.667 4.198 -2.044 164 HD22 LEU 28 1HD2 LEU 28 6.572 2.823 -2.683 165 HD23 LEU 28 2HD2 LEU 28 7.430 4.160 -1.914 166 H LYS 29 H LYS 29 10.111 2.170 1.474 167 HA LYS 29 HA LYS 29 9.861 4.730 2.559 168 HB2 LYS 29 2HB LYS 29 10.467 2.775 3.897 169 HB3 LYS 29 1HB LYS 29 11.998 2.649 3.047 170 HG2 LYS 29 2HG LYS 29 11.337 5.135 4.565 171 HG3 LYS 29 1HG LYS 29 11.900 3.698 5.416 172 HD2 LYS 29 2HD LYS 29 13.907 3.663 3.990 173 HD3 LYS 29 1HD LYS 29 13.344 5.129 3.185 174 HE2 LYS 29 2HE LYS 29 15.018 5.632 4.892 175 HE3 LYS 29 1HE LYS 29 13.455 6.343 5.292 176 HZ1 LYS 29 3HZ LYS 29 14.410 3.760 6.393 177 HZ2 LYS 29 1HZ LYS 29 13.056 4.648 6.887 178 HZ3 LYS 29 2HZ LYS 29 14.615 5.245 7.183 179 H VAL 30 H VAL 30 12.426 3.325 0.598 180 HA VAL 30 HA VAL 30 14.087 5.602 0.562 181 HB VAL 30 HB VAL 30 13.854 3.366 -1.431 182 HG11 VAL 30 1HG1 VAL 30 16.143 3.970 -2.091 183 HG12 VAL 30 2HG1 VAL 30 16.067 5.375 -1.026 184 HG13 VAL 30 3HG1 VAL 30 14.992 5.263 -2.422 185 HG21 VAL 30 3HG2 VAL 30 15.745 3.729 0.879 186 HG22 VAL 30 1HG2 VAL 30 15.668 2.343 -0.212 187 HG23 VAL 30 2HG2 VAL 30 14.323 2.687 0.884 188 H TYR 31 H TYR 31 11.430 4.548 -1.395 189 HA TYR 31 HA TYR 31 11.554 6.490 -3.411 190 HB2 TYR 31 2HB TYR 31 10.147 4.496 -3.572 191 HB3 TYR 31 1HB TYR 31 9.172 5.053 -2.213 192 HD1 TYR 31 2HD TYR 31 10.129 5.835 -5.704 193 HD2 TYR 31 1HD TYR 31 7.367 6.518 -2.543 194 HE1 TYR 31 2HE TYR 31 8.675 7.049 -7.244 195 HE2 TYR 31 1HE TYR 31 5.897 7.732 -4.079 196 HH TYR 31 HH TYR 31 5.960 8.907 -6.173 197 H CYS 32 H CYS 32 10.115 6.441 -0.200 198 HA CYS 32 HA CYS 32 8.848 8.991 -0.423 199 HB2 CYS 32 2HB CYS 32 9.606 7.418 2.041 200 HB3 CYS 32 1HB CYS 32 8.528 8.808 2.010 201 HG CYS 32 HG CYS 32 7.955 5.787 0.518 202 H ALA 33 H ALA 33 11.994 7.909 0.595 203 HA ALA 33 HA ALA 33 12.733 10.385 1.827 204 HB1 ALA 33 1HB ALA 33 14.477 8.110 0.886 205 HB2 ALA 33 2HB ALA 33 13.723 8.227 2.474 206 HB3 ALA 33 3HB ALA 33 14.947 9.403 1.993 207 H LYS 34 H LYS 34 13.123 8.887 -1.306 208 HA LYS 34 HA LYS 34 14.927 10.812 -2.352 209 HB2 LYS 34 2HB LYS 34 14.795 8.486 -3.153 210 HB3 LYS 34 1HB LYS 34 13.174 8.789 -3.754 211 HG2 LYS 34 2HG LYS 34 14.054 10.389 -5.359 212 HG3 LYS 34 1HG LYS 34 15.682 10.125 -4.732 213 HD2 LYS 34 2HD LYS 34 15.562 7.775 -5.372 214 HD3 LYS 34 1HD LYS 34 13.922 8.013 -5.972 215 HE2 LYS 34 2HE LYS 34 14.757 9.567 -7.659 216 HE3 LYS 34 1HE LYS 34 16.397 9.368 -7.040 217 HZ1 LYS 34 3HZ LYS 34 16.335 7.046 -7.645 218 HZ2 LYS 34 1HZ LYS 34 15.971 7.991 -9.007 219 HZ3 LYS 34 2HZ LYS 34 14.732 7.182 -8.178 220 H ASN 35 H ASN 35 11.427 10.375 -2.507 221 HA ASN 35 HA ASN 35 11.206 12.781 -4.160 222 HB2 ASN 35 2HB ASN 35 9.135 10.796 -3.214 223 HB3 ASN 35 1HB ASN 35 8.748 12.241 -4.136 224 HD21 ASN 35 1HD2 ASN 35 10.222 9.097 -4.212 225 HD22 ASN 35 2HD2 ASN 35 10.329 8.973 -5.942 226 H ASN 36 H ASN 36 11.661 12.167 -1.037 227 HA ASN 36 HA ASN 36 11.151 13.126 0.958 228 HB2 ASN 36 2HB ASN 36 10.692 15.388 -0.953 229 HB3 ASN 36 1HB ASN 36 10.408 15.608 0.772 230 HD21 ASN 36 1HD2 ASN 36 12.403 16.796 -1.049 231 HD22 ASN 36 2HD2 ASN 36 13.944 16.440 -0.332 232 H LEU 37 H LEU 37 9.053 11.718 -0.611 233 HA LEU 37 HA LEU 37 6.523 12.857 0.037 234 HB2 LEU 37 2HB LEU 37 7.552 10.529 -1.316 235 HB3 LEU 37 1HB LEU 37 6.262 10.074 -0.221 236 HG LEU 37 HG LEU 37 4.751 11.661 -1.321 237 HD11 LEU 37 1HD1 LEU 37 5.401 12.785 -3.368 238 HD12 LEU 37 2HD1 LEU 37 7.038 12.142 -3.225 239 HD13 LEU 37 3HD1 LEU 37 6.435 13.294 -2.032 240 HD21 LEU 37 3HD2 LEU 37 4.850 9.350 -2.090 241 HD22 LEU 37 1HD2 LEU 37 6.135 9.774 -3.224 242 HD23 LEU 37 2HD2 LEU 37 4.519 10.450 -3.428 243 H GLN 38 H GLN 38 4.947 11.690 1.408 244 HA GLN 38 HA GLN 38 6.139 10.949 3.952 245 HB2 GLN 38 2HB GLN 38 3.244 11.286 3.157 246 HB3 GLN 38 1HB GLN 38 3.811 10.939 4.786 247 HG2 GLN 38 2HG GLN 38 4.990 13.057 4.845 248 HG3 GLN 38 1HG GLN 38 4.472 13.397 3.196 249 HE21 GLN 38 1HE2 GLN 38 2.297 13.899 2.806 250 HE22 GLN 38 2HE2 GLN 38 1.220 14.368 4.078 251 H LEU 39 H LEU 39 6.251 8.889 4.673 252 HA LEU 39 HA LEU 39 6.095 6.665 3.098 253 HB2 LEU 39 2HB LEU 39 6.483 7.168 5.824 254 HB3 LEU 39 1HB LEU 39 5.189 5.990 5.756 255 HG LEU 39 HG LEU 39 7.123 4.702 5.961 256 HD11 LEU 39 1HD1 LEU 39 7.409 3.545 3.825 257 HD12 LEU 39 2HD1 LEU 39 6.548 4.854 3.011 258 HD13 LEU 39 3HD1 LEU 39 5.712 3.850 4.193 259 HD21 LEU 39 3HD2 LEU 39 8.421 6.423 3.860 260 HD22 LEU 39 1HD2 LEU 39 9.150 5.021 4.645 261 HD23 LEU 39 2HD2 LEU 39 8.757 6.458 5.591 262 H THR 40 H THR 40 3.540 7.835 5.251 263 HA THR 40 HA THR 40 1.637 5.901 4.648 264 HB THR 40 HB THR 40 1.028 8.762 5.356 265 HG1 THR 40 1HG THR 40 1.290 8.067 7.534 266 HG21 THR 40 3HG2 THR 40 -0.885 7.780 6.534 267 HG22 THR 40 1HG2 THR 40 -0.392 6.179 5.988 268 HG23 THR 40 2HG2 THR 40 -0.914 7.388 4.814 269 H GLN 41 H GLN 41 2.073 9.133 3.241 270 HA GLN 41 HA GLN 41 -0.083 9.122 1.502 271 HB2 GLN 41 2HB GLN 41 1.417 11.051 2.046 272 HB3 GLN 41 1HB GLN 41 2.624 10.357 0.977 273 HG2 GLN 41 2HG GLN 41 1.014 10.521 -0.890 274 HG3 GLN 41 1HG GLN 41 -0.116 11.323 0.200 275 HE21 GLN 41 1HE2 GLN 41 2.844 11.616 -1.581 276 HE22 GLN 41 2HE2 GLN 41 3.018 13.328 -1.402 277 H ALA 42 H ALA 42 3.144 7.779 1.146 278 HA ALA 42 HA ALA 42 2.936 7.087 -1.602 279 HB1 ALA 42 1HB ALA 42 4.873 5.669 -1.176 280 HB2 ALA 42 2HB ALA 42 4.664 5.912 0.558 281 HB3 ALA 42 3HB ALA 42 5.079 7.277 -0.481 282 H ILE 43 H ILE 43 2.423 5.239 1.412 283 HA ILE 43 HA ILE 43 1.644 2.820 0.230 284 HB ILE 43 HB ILE 43 1.190 4.089 2.870 285 HG12 ILE 43 2HG1 ILE 43 1.934 1.816 3.623 286 HG13 ILE 43 1HG1 ILE 43 2.079 1.360 1.930 287 HG21 ILE 43 1HG2 ILE 43 -1.069 3.422 2.283 288 HG22 ILE 43 2HG2 ILE 43 -0.420 2.426 3.595 289 HG23 ILE 43 3HG2 ILE 43 -0.507 1.775 1.955 290 HD11 ILE 43 3HD1 ILE 43 3.632 3.484 3.374 291 HD12 ILE 43 1HD1 ILE 43 3.716 3.187 1.636 292 HD13 ILE 43 2HD1 ILE 43 4.233 1.940 2.770 293 H GLU 44 H GLU 44 -0.262 5.651 1.117 294 HA GLU 44 HA GLU 44 -2.775 4.622 0.412 295 HB2 GLU 44 2HB GLU 44 -1.806 7.482 0.445 296 HB3 GLU 44 1HB GLU 44 -3.492 6.997 0.328 297 HG2 GLU 44 2HG GLU 44 -3.327 5.929 2.517 298 HG3 GLU 44 1HG GLU 44 -1.645 6.428 2.633 299 H GLU 45 H GLU 45 -0.431 6.492 -1.492 300 HA GLU 45 HA GLU 45 -2.007 6.511 -3.855 301 HB2 GLU 45 2HB GLU 45 0.999 6.728 -3.547 302 HB3 GLU 45 1HB GLU 45 0.103 7.098 -5.012 303 HG2 GLU 45 2HG GLU 45 -0.104 8.551 -2.382 304 HG3 GLU 45 1HG GLU 45 0.708 9.121 -3.837 305 H ALA 46 H ALA 46 0.305 4.298 -2.441 306 HA ALA 46 HA ALA 46 0.692 2.601 -4.650 307 HB1 ALA 46 1HB ALA 46 0.773 1.867 -1.719 308 HB2 ALA 46 2HB ALA 46 2.102 2.600 -2.613 309 HB3 ALA 46 3HB ALA 46 1.534 0.986 -3.051 310 H ILE 47 H ILE 47 -1.450 2.304 -1.841 311 HA ILE 47 HA ILE 47 -2.705 -0.026 -2.762 312 HB ILE 47 HB ILE 47 -2.520 0.616 -0.399 313 HG12 ILE 47 2HG1 ILE 47 -5.403 0.363 -1.221 314 HG13 ILE 47 1HG1 ILE 47 -4.259 -0.975 -1.233 315 HG21 ILE 47 1HG2 ILE 47 -2.868 2.966 -0.451 316 HG22 ILE 47 2HG2 ILE 47 -4.163 2.255 0.517 317 HG23 ILE 47 3HG2 ILE 47 -4.480 2.763 -1.143 318 HD11 ILE 47 3HD1 ILE 47 -5.210 0.589 1.149 319 HD12 ILE 47 1HD1 ILE 47 -3.893 -0.587 1.194 320 HD13 ILE 47 2HD1 ILE 47 -5.522 -1.109 0.764 321 H LYS 48 H LYS 48 -3.240 3.343 -3.332 322 HA LYS 48 HA LYS 48 -5.944 3.101 -4.220 323 HB2 LYS 48 2HB LYS 48 -5.098 5.233 -3.435 324 HB3 LYS 48 1HB LYS 48 -3.857 5.232 -4.666 325 HG2 LYS 48 2HG LYS 48 -5.420 6.720 -5.498 326 HG3 LYS 48 1HG LYS 48 -5.801 5.228 -6.351 327 HD2 LYS 48 2HD LYS 48 -7.232 6.140 -3.855 328 HD3 LYS 48 1HD LYS 48 -7.783 6.515 -5.487 329 HE2 LYS 48 2HE LYS 48 -7.776 4.007 -5.895 330 HE3 LYS 48 1HE LYS 48 -7.585 3.826 -4.153 331 HZ1 LYS 48 3HZ LYS 48 -9.824 5.257 -5.489 332 HZ2 LYS 48 1HZ LYS 48 -9.665 4.989 -3.819 333 HZ3 LYS 48 2HZ LYS 48 -9.908 3.682 -4.874 334 H GLU 49 H GLU 49 -2.879 3.727 -5.991 335 HA GLU 49 HA GLU 49 -3.882 3.195 -8.533 336 HB2 GLU 49 2HB GLU 49 -1.155 3.206 -7.356 337 HB3 GLU 49 1HB GLU 49 -1.416 2.724 -9.035 338 HG2 GLU 49 2HG GLU 49 -1.883 5.373 -7.745 339 HG3 GLU 49 1HG GLU 49 -1.036 4.965 -9.206 340 H TYR 50 H TYR 50 -3.162 1.075 -5.993 341 HA TYR 50 HA TYR 50 -2.606 -1.241 -7.504 342 HB2 TYR 50 2HB TYR 50 -1.950 -1.098 -5.192 343 HB3 TYR 50 1HB TYR 50 -3.622 -0.852 -4.695 344 HD1 TYR 50 2HD TYR 50 -1.634 -3.288 -6.649 345 HD2 TYR 50 1HD TYR 50 -4.678 -2.659 -3.779 346 HE1 TYR 50 2HE TYR 50 -1.828 -5.721 -6.361 347 HE2 TYR 50 1HE TYR 50 -4.896 -5.102 -3.456 348 HH TYR 50 HH TYR 50 -2.615 -7.304 -4.624 349 H LEU 51 H LEU 51 -5.495 -0.106 -5.788 350 HA LEU 51 HA LEU 51 -7.238 -2.079 -6.686 351 HB2 LEU 51 2HB LEU 51 -7.557 0.645 -5.592 352 HB3 LEU 51 1HB LEU 51 -8.924 -0.014 -6.459 353 HG LEU 51 HG LEU 51 -9.536 -0.882 -4.492 354 HD11 LEU 51 1HD1 LEU 51 -8.533 -3.013 -3.844 355 HD12 LEU 51 2HD1 LEU 51 -7.180 -2.696 -4.931 356 HD13 LEU 51 3HD1 LEU 51 -8.805 -2.908 -5.584 357 HD21 LEU 51 3HD2 LEU 51 -8.025 -1.053 -2.528 358 HD22 LEU 51 1HD2 LEU 51 -8.099 0.564 -3.242 359 HD23 LEU 51 2HD2 LEU 51 -6.708 -0.475 -3.557 360 H GLN 52 H GLN 52 -6.168 0.857 -8.262 361 HA GLN 52 HA GLN 52 -8.067 0.612 -10.401 362 HB2 GLN 52 2HB GLN 52 -5.754 2.413 -9.842 363 HB3 GLN 52 1HB GLN 52 -6.310 2.268 -11.503 364 HG2 GLN 52 2HG GLN 52 -7.445 4.118 -10.674 365 HG3 GLN 52 1HG GLN 52 -8.629 2.815 -10.599 366 HE21 GLN 52 1HE2 GLN 52 -6.641 4.991 -8.810 367 HE22 GLN 52 2HE2 GLN 52 -7.360 4.707 -7.267 368 H LYS 53 H LYS 53 -4.721 -0.306 -9.873 369 HA LYS 53 HA LYS 53 -4.228 -1.176 -12.544 370 HB2 LYS 53 2HB LYS 53 -2.472 -0.565 -10.845 371 HB3 LYS 53 1HB LYS 53 -2.832 -2.075 -10.022 372 HG2 LYS 53 2HG LYS 53 -2.158 -3.326 -11.996 373 HG3 LYS 53 1HG LYS 53 -1.819 -1.817 -12.844 374 HD2 LYS 53 2HD LYS 53 -0.168 -1.282 -11.029 375 HD3 LYS 53 1HD LYS 53 -0.413 -2.919 -10.413 376 HE2 LYS 53 2HE LYS 53 0.328 -3.839 -12.552 377 HE3 LYS 53 1HE LYS 53 0.547 -2.209 -13.185 378 HZ1 LYS 53 3HZ LYS 53 2.141 -3.633 -11.145 379 HZ2 LYS 53 1HZ LYS 53 2.134 -1.936 -11.206 380 HZ3 LYS 53 2HZ LYS 53 2.661 -2.828 -12.544 381 H ARG 54 H ARG 54 -6.020 -2.396 -9.988 382 HA ARG 54 HA ARG 54 -5.791 -5.154 -10.917 383 HB2 ARG 54 2HB ARG 54 -5.555 -4.161 -8.421 384 HB3 ARG 54 1HB ARG 54 -7.282 -4.477 -8.454 385 HG2 ARG 54 2HG ARG 54 -6.451 -6.465 -7.607 386 HG3 ARG 54 1HG ARG 54 -6.554 -6.823 -9.335 387 HD2 ARG 54 2HD ARG 54 -4.255 -6.590 -9.646 388 HD3 ARG 54 1HD ARG 54 -4.049 -5.722 -8.130 389 HE ARG 54 HE ARG 54 -4.977 -8.248 -7.457 390 HH11 ARG 54 1HH1 ARG 54 -2.214 -6.952 -9.177 391 HH12 ARG 54 2HH1 ARG 54 -1.114 -8.158 -8.578 392 HH21 ARG 54 1HH2 ARG 54 -3.544 -9.839 -6.671 393 HH22 ARG 54 2HH2 ARG 54 -1.872 -9.809 -7.162 394 H ASN 55 H ASN 55 -8.371 -3.318 -9.304 395 HA ASN 55 HA ASN 55 -10.187 -3.260 -11.415 396 HB2 ASN 55 2HB ASN 55 -11.811 -5.018 -10.388 397 HB3 ASN 55 1HB ASN 55 -10.529 -5.556 -11.461 398 HD21 ASN 55 1HD2 ASN 55 -10.480 -7.610 -10.653 399 HD22 ASN 55 2HD2 ASN 55 -9.853 -7.993 -9.084 400 H GLY 56 H GLY 56 -10.349 -4.034 -7.928 401 HA2 GLY 56 2HA GLY 56 -11.052 -2.694 -6.181 402 HA3 GLY 56 1HA GLY 56 -11.285 -1.376 -7.322 403 H LYS 11 H LYS 11 11.093 -12.342 1.992 404 HA LYS 11 HA LYS 11 9.674 -13.141 3.750 405 HB2 LYS 11 2HB LYS 11 12.562 -13.980 4.071 406 HB3 LYS 11 1HB LYS 11 11.171 -14.887 4.647 407 HG2 LYS 11 2HG LYS 11 11.809 -14.257 1.772 408 HG3 LYS 11 1HG LYS 11 12.015 -15.816 2.572 409 HD2 LYS 11 2HD LYS 11 9.628 -16.007 2.902 410 HD3 LYS 11 1HD LYS 11 9.376 -14.384 2.255 411 HE2 LYS 11 2HE LYS 11 10.251 -15.117 0.088 412 HE3 LYS 11 1HE LYS 11 10.496 -16.737 0.734 413 HZ1 LYS 11 2HZ LYS 11 8.124 -16.957 1.052 414 HZ2 LYS 11 3HZ LYS 11 8.448 -16.549 -0.562 415 HZ3 LYS 11 1HZ LYS 11 7.861 -15.371 0.511 416 H GLN 12 H GLN 12 12.539 -11.420 4.955 417 HA GLN 12 HA GLN 12 11.777 -11.548 7.683 418 HB2 GLN 12 2HB GLN 12 13.393 -9.738 8.036 419 HB3 GLN 12 1HB GLN 12 14.076 -11.009 7.034 420 HG2 GLN 12 2HG GLN 12 13.706 -9.660 5.044 421 HG3 GLN 12 1HG GLN 12 12.971 -8.395 6.027 422 HE21 GLN 12 1HE2 GLN 12 14.889 -8.791 8.207 423 HE22 GLN 12 2HE2 GLN 12 16.375 -8.085 7.670 424 H LYS 13 H LYS 13 10.526 -10.164 8.902 425 HA LYS 13 HA LYS 13 8.741 -8.546 7.216 426 HB2 LYS 13 2HB LYS 13 6.957 -8.998 8.816 427 HB3 LYS 13 1HB LYS 13 7.621 -10.495 8.186 428 HG2 LYS 13 2HG LYS 13 8.922 -10.767 10.244 429 HG3 LYS 13 1HG LYS 13 8.236 -9.263 10.865 430 HD2 LYS 13 2HD LYS 13 5.970 -10.285 10.617 431 HD3 LYS 13 1HD LYS 13 6.756 -11.805 10.194 432 HE2 LYS 13 2HE LYS 13 6.952 -10.313 12.809 433 HE3 LYS 13 1HE LYS 13 6.159 -11.859 12.520 434 HZ1 LYS 13 3HZ LYS 13 8.342 -12.794 11.944 435 HZ2 LYS 13 1HZ LYS 13 8.285 -12.219 13.539 436 HZ3 LYS 13 2HZ LYS 13 9.077 -11.317 12.343 437 H ALA 14 H ALA 14 7.754 -6.694 8.095 438 HA ALA 14 HA ALA 14 9.035 -5.494 10.448 439 HB1 ALA 14 1HB ALA 14 8.626 -4.119 7.792 440 HB2 ALA 14 2HB ALA 14 10.178 -4.579 8.498 441 HB3 ALA 14 3HB ALA 14 9.185 -3.349 9.280 442 H VAL 15 H VAL 15 7.723 -3.518 11.136 443 HA VAL 15 HA VAL 15 4.866 -4.138 10.745 444 HB VAL 15 HB VAL 15 5.854 -2.350 12.922 445 HG11 VAL 15 1HG1 VAL 15 3.473 -2.452 12.565 446 HG12 VAL 15 2HG1 VAL 15 3.886 -3.201 14.108 447 HG13 VAL 15 3HG1 VAL 15 3.504 -4.210 12.711 448 HG21 VAL 15 3HG2 VAL 15 5.814 -5.356 13.064 449 HG22 VAL 15 1HG2 VAL 15 6.051 -4.271 14.437 450 HG23 VAL 15 2HG2 VAL 15 7.243 -4.319 13.138 451 H PHE 16 H PHE 16 3.420 -2.243 10.779 452 HA PHE 16 HA PHE 16 4.598 0.293 10.016 453 HB2 PHE 16 2HB PHE 16 4.308 -1.299 7.958 454 HB3 PHE 16 1HB PHE 16 2.606 -0.891 8.117 455 HD1 PHE 16 1HD PHE 16 5.707 1.132 8.493 456 HD2 PHE 16 2HD PHE 16 2.034 0.556 6.423 457 HE1 PHE 16 1HE PHE 16 6.117 3.184 7.200 458 HE2 PHE 16 2HE PHE 16 2.441 2.607 5.127 459 HZ PHE 16 HZ PHE 16 4.482 3.924 5.522 460 H GLY 17 H GLY 17 3.458 1.826 10.961 461 HA2 GLY 17 2HA GLY 17 0.574 1.363 11.442 462 HA3 GLY 17 1HA GLY 17 1.626 1.980 12.713 463 H ILE 18 H ILE 18 -0.264 2.760 9.967 464 HA ILE 18 HA ILE 18 0.671 5.549 10.108 465 HB ILE 18 HB ILE 18 0.269 5.757 7.691 466 HG12 ILE 18 2HG1 ILE 18 0.047 2.737 7.689 467 HG13 ILE 18 1HG1 ILE 18 -1.343 3.818 7.552 468 HG21 ILE 18 1HG2 ILE 18 2.509 5.380 8.490 469 HG22 ILE 18 2HG2 ILE 18 2.274 4.483 6.990 470 HG23 ILE 18 3HG2 ILE 18 2.232 3.638 8.539 471 HD11 ILE 18 3HD1 ILE 18 -0.613 2.959 5.391 472 HD12 ILE 18 1HD1 ILE 18 0.978 3.670 5.643 473 HD13 ILE 18 2HD1 ILE 18 -0.437 4.712 5.482 474 H TYR 19 H TYR 19 -0.926 7.050 9.010 475 HA TYR 19 HA TYR 19 -3.672 6.205 9.615 476 HB2 TYR 19 2HB TYR 19 -2.500 8.996 9.728 477 HB3 TYR 19 1HB TYR 19 -4.180 8.582 10.049 478 HD1 TYR 19 2HD TYR 19 -4.559 6.814 11.950 479 HD2 TYR 19 1HD TYR 19 -1.013 9.128 11.500 480 HE1 TYR 19 2HE TYR 19 -4.018 6.444 14.313 481 HE2 TYR 19 1HE TYR 19 -0.461 8.751 13.867 482 HH TYR 19 HH TYR 19 -1.650 8.188 15.980 483 H MET 20 H MET 20 -4.348 5.555 7.674 484 HA MET 20 HA MET 20 -3.967 7.318 5.340 485 HB2 MET 20 2HB MET 20 -4.371 5.320 3.958 486 HB3 MET 20 1HB MET 20 -3.027 5.065 5.062 487 HG2 MET 20 2HG MET 20 -4.713 3.926 6.592 488 HG3 MET 20 1HG MET 20 -5.801 3.929 5.205 489 HE1 MET 20 3HE MET 20 -3.854 1.684 2.640 490 HE2 MET 20 1HE MET 20 -3.918 3.443 2.748 491 HE3 MET 20 2HE MET 20 -5.388 2.489 2.981 492 H ASP 21 H ASP 21 -5.823 7.386 3.769 493 HA ASP 21 HA ASP 21 -8.189 8.188 5.013 494 HB2 ASP 21 2HB ASP 21 -7.455 7.583 2.186 495 HB3 ASP 21 1HB ASP 21 -9.156 7.672 2.596 496 H LYS 22 H LYS 22 -10.335 7.284 4.827 497 HA LYS 22 HA LYS 22 -10.283 4.531 5.648 498 HB2 LYS 22 2HB LYS 22 -11.728 6.074 6.847 499 HB3 LYS 22 1HB LYS 22 -12.553 6.505 5.351 500 HG2 LYS 22 2HG LYS 22 -13.456 4.270 5.163 501 HG3 LYS 22 1HG LYS 22 -12.579 3.774 6.613 502 HD2 LYS 22 2HD LYS 22 -13.849 5.382 7.939 503 HD3 LYS 22 1HD LYS 22 -14.710 5.907 6.491 504 HE2 LYS 22 2HE LYS 22 -15.647 3.670 6.228 505 HE3 LYS 22 1HE LYS 22 -14.764 3.121 7.651 506 HZ1 LYS 22 3HZ LYS 22 -17.082 3.647 8.145 507 HZ2 LYS 22 1HZ LYS 22 -16.842 5.249 7.639 508 HZ3 LYS 22 2HZ LYS 22 -16.024 4.658 9.001 509 H ASP 23 H ASP 23 -12.198 6.289 3.210 510 HA ASP 23 HA ASP 23 -13.449 4.158 2.043 511 HB2 ASP 23 2HB ASP 23 -13.977 6.460 1.430 512 HB3 ASP 23 1HB ASP 23 -12.421 6.616 0.625 513 H LEU 24 H LEU 24 -10.230 5.365 1.347 514 HA LEU 24 HA LEU 24 -9.710 3.680 -0.847 515 HB2 LEU 24 2HB LEU 24 -8.343 5.524 -0.728 516 HB3 LEU 24 1HB LEU 24 -8.131 5.377 1.006 517 HG LEU 24 HG LEU 24 -6.944 3.093 0.017 518 HD11 LEU 24 1HD1 LEU 24 -6.430 5.425 -1.806 519 HD12 LEU 24 2HD1 LEU 24 -6.937 3.788 -2.241 520 HD13 LEU 24 3HD1 LEU 24 -5.312 4.078 -1.621 521 HD21 LEU 24 3HD2 LEU 24 -6.285 4.540 1.881 522 HD22 LEU 24 1HD2 LEU 24 -5.676 5.730 0.724 523 HD23 LEU 24 2HD2 LEU 24 -4.926 4.134 0.820 524 H LYS 25 H LYS 25 -8.478 3.510 2.514 525 HA LYS 25 HA LYS 25 -7.291 0.982 2.288 526 HB2 LYS 25 2HB LYS 25 -7.030 2.661 4.164 527 HB3 LYS 25 1HB LYS 25 -8.592 2.122 4.769 528 HG2 LYS 25 2HG LYS 25 -7.623 -0.197 4.870 529 HG3 LYS 25 1HG LYS 25 -6.057 0.547 4.542 530 HD2 LYS 25 2HD LYS 25 -6.040 0.497 6.838 531 HD3 LYS 25 1HD LYS 25 -6.713 2.102 6.536 532 HE2 LYS 25 2HE LYS 25 -8.335 -0.387 7.083 533 HE3 LYS 25 1HE LYS 25 -7.932 0.837 8.287 534 HZ1 LYS 25 3HZ LYS 25 -9.122 2.467 6.875 535 HZ2 LYS 25 1HZ LYS 25 -10.130 1.245 7.473 536 HZ3 LYS 25 2HZ LYS 25 -9.608 1.206 5.865 537 H THR 26 H THR 26 -10.556 1.994 2.900 538 HA THR 26 HA THR 26 -11.524 -0.552 3.787 539 HB THR 26 HB THR 26 -12.888 2.033 3.048 540 HG1 THR 26 1HG THR 26 -13.306 1.053 5.540 541 HG21 THR 26 3HG2 THR 26 -14.988 1.065 3.870 542 HG22 THR 26 1HG2 THR 26 -14.201 -0.501 4.061 543 HG23 THR 26 2HG2 THR 26 -14.410 0.192 2.452 544 H ARG 27 H ARG 27 -11.463 1.220 0.777 545 HA ARG 27 HA ARG 27 -13.001 -0.460 -0.827 546 HB2 ARG 27 2HB ARG 27 -12.262 1.583 -1.768 547 HB3 ARG 27 1HB ARG 27 -10.589 1.267 -1.350 548 HG2 ARG 27 2HG ARG 27 -10.897 1.075 -3.726 549 HG3 ARG 27 1HG ARG 27 -10.514 -0.504 -3.029 550 HD2 ARG 27 2HD ARG 27 -12.313 -0.601 -4.727 551 HD3 ARG 27 1HD ARG 27 -12.834 -1.160 -3.138 552 HE ARG 27 HE ARG 27 -13.377 1.635 -3.621 553 HH11 ARG 27 1HH1 ARG 27 -14.555 -1.631 -4.081 554 HH12 ARG 27 2HH1 ARG 27 -16.224 -1.156 -4.157 555 HH21 ARG 27 1HH2 ARG 27 -15.565 2.263 -3.663 556 HH22 ARG 27 2HH2 ARG 27 -16.804 1.067 -3.921 557 H LEU 28 H LEU 28 -9.496 -0.489 -0.346 558 HA LEU 28 HA LEU 28 -8.918 -2.936 -1.476 559 HB2 LEU 28 2HB LEU 28 -7.386 -1.116 -0.756 560 HB3 LEU 28 1HB LEU 28 -7.583 -1.653 0.901 561 HG LEU 28 HG LEU 28 -5.486 -2.355 -0.343 562 HD11 LEU 28 1HD1 LEU 28 -6.314 -3.308 1.779 563 HD12 LEU 28 2HD1 LEU 28 -5.414 -4.461 0.789 564 HD13 LEU 28 3HD1 LEU 28 -7.178 -4.534 0.850 565 HD21 LEU 28 3HD2 LEU 28 -5.696 -4.304 -1.780 566 HD22 LEU 28 1HD2 LEU 28 -6.626 -2.946 -2.422 567 HD23 LEU 28 2HD2 LEU 28 -7.453 -4.264 -1.594 568 H LYS 29 H LYS 29 -10.041 -2.180 1.801 569 HA LYS 29 HA LYS 29 -9.757 -4.711 2.954 570 HB2 LYS 29 2HB LYS 29 -10.329 -2.720 4.253 571 HB3 LYS 29 1HB LYS 29 -11.883 -2.620 3.444 572 HG2 LYS 29 2HG LYS 29 -11.174 -5.060 5.013 573 HG3 LYS 29 1HG LYS 29 -11.721 -3.601 5.837 574 HD2 LYS 29 2HD LYS 29 -13.760 -3.612 4.464 575 HD3 LYS 29 1HD LYS 29 -13.216 -5.098 3.683 576 HE2 LYS 29 2HE LYS 29 -14.839 -5.558 5.447 577 HE3 LYS 29 1HE LYS 29 -13.263 -6.252 5.828 578 HZ1 LYS 29 3HZ LYS 29 -14.216 -3.645 6.876 579 HZ2 LYS 29 1HZ LYS 29 -12.833 -4.501 7.361 580 HZ3 LYS 29 2HZ LYS 29 -14.375 -5.111 7.714 581 H VAL 30 H VAL 30 -12.371 -3.359 1.021 582 HA VAL 30 HA VAL 30 -14.035 -5.637 1.103 583 HB VAL 30 HB VAL 30 -13.862 -3.460 -0.962 584 HG11 VAL 30 1HG1 VAL 30 -16.168 -4.079 -1.534 585 HG12 VAL 30 2HG1 VAL 30 -16.062 -5.451 -0.430 586 HG13 VAL 30 3HG1 VAL 30 -15.031 -5.388 -1.862 587 HG21 VAL 30 3HG2 VAL 30 -15.684 -3.756 1.411 588 HG22 VAL 30 1HG2 VAL 30 -15.639 -2.404 0.278 589 HG23 VAL 30 2HG2 VAL 30 -14.263 -2.714 1.344 590 H TYR 31 H TYR 31 -11.434 -4.638 -0.952 591 HA TYR 31 HA TYR 31 -11.614 -6.634 -2.912 592 HB2 TYR 31 2HB TYR 31 -10.213 -4.648 -3.174 593 HB3 TYR 31 1HB TYR 31 -9.200 -5.167 -1.829 594 HD1 TYR 31 2HD TYR 31 -10.255 -6.048 -5.263 595 HD2 TYR 31 1HD TYR 31 -7.409 -6.641 -2.163 596 HE1 TYR 31 2HE TYR 31 -8.846 -7.306 -6.809 597 HE2 TYR 31 1HE TYR 31 -5.981 -7.903 -3.703 598 HH TYR 31 HH TYR 31 -6.079 -9.123 -5.747 599 H CYS 32 H CYS 32 -10.081 -6.498 0.250 600 HA CYS 32 HA CYS 32 -8.825 -9.052 0.068 601 HB2 CYS 32 2HB CYS 32 -9.514 -7.413 2.507 602 HB3 CYS 32 1HB CYS 32 -8.435 -8.804 2.485 603 HG CYS 32 HG CYS 32 -7.907 -5.824 0.895 604 H ALA 33 H ALA 33 -11.942 -7.943 1.150 605 HA ALA 33 HA ALA 33 -12.651 -10.386 2.461 606 HB1 ALA 33 1HB ALA 33 -14.412 -8.132 1.503 607 HB2 ALA 33 2HB ALA 33 -13.623 -8.213 3.076 608 HB3 ALA 33 3HB ALA 33 -14.860 -9.397 2.651 609 H LYS 34 H LYS 34 -13.126 -8.966 -0.701 610 HA LYS 34 HA LYS 34 -14.954 -10.920 -1.641 611 HB2 LYS 34 2HB LYS 34 -14.841 -8.618 -2.513 612 HB3 LYS 34 1HB LYS 34 -13.239 -8.946 -3.152 613 HG2 LYS 34 2HG LYS 34 -14.167 -10.582 -4.686 614 HG3 LYS 34 1HG LYS 34 -15.778 -10.306 -4.016 615 HD2 LYS 34 2HD LYS 34 -15.687 -7.973 -4.722 616 HD3 LYS 34 1HD LYS 34 -14.064 -8.223 -5.365 617 HE2 LYS 34 2HE LYS 34 -14.943 -9.830 -6.976 618 HE3 LYS 34 1HE LYS 34 -16.566 -9.610 -6.323 619 HZ1 LYS 34 3HZ LYS 34 -16.528 -7.315 -7.021 620 HZ2 LYS 34 1HZ LYS 34 -16.170 -8.306 -8.351 621 HZ3 LYS 34 2HZ LYS 34 -14.930 -7.458 -7.566 622 H ASN 35 H ASN 35 -11.460 -10.492 -1.909 623 HA ASN 35 HA ASN 35 -11.284 -12.946 -3.496 624 HB2 ASN 35 2HB ASN 35 -9.191 -10.938 -2.658 625 HB3 ASN 35 1HB ASN 35 -8.826 -12.407 -3.547 626 HD21 ASN 35 1HD2 ASN 35 -10.314 -9.270 -3.674 627 HD22 ASN 35 2HD2 ASN 35 -10.453 -9.191 -5.404 628 H ASN 36 H ASN 36 -11.649 -12.241 -0.382 629 HA ASN 36 HA ASN 36 -11.091 -13.140 1.627 630 HB2 ASN 36 2HB ASN 36 -10.677 -15.462 -0.222 631 HB3 ASN 36 1HB ASN 36 -10.366 -15.629 1.505 632 HD21 ASN 36 1HD2 ASN 36 -12.388 -16.908 -0.201 633 HD22 ASN 36 2HD2 ASN 36 -13.916 -16.509 0.506 634 H LEU 37 H LEU 37 -9.036 -11.789 -0.033 635 HA LEU 37 HA LEU 37 -6.489 -12.906 0.578 636 HB2 LEU 37 2HB LEU 37 -7.558 -10.621 -0.815 637 HB3 LEU 37 1HB LEU 37 -6.239 -10.132 0.231 638 HG LEU 37 HG LEU 37 -4.755 -11.746 -0.865 639 HD11 LEU 37 1HD1 LEU 37 -5.459 -12.922 -2.865 640 HD12 LEU 37 2HD1 LEU 37 -7.093 -12.280 -2.689 641 HD13 LEU 37 3HD1 LEU 37 -6.452 -13.401 -1.487 642 HD21 LEU 37 3HD2 LEU 37 -4.893 -9.452 -1.689 643 HD22 LEU 37 1HD2 LEU 37 -6.201 -9.918 -2.777 644 HD23 LEU 37 2HD2 LEU 37 -4.584 -10.587 -3.005 645 H GLN 38 H GLN 38 -4.877 -11.699 1.869 646 HA GLN 38 HA GLN 38 -5.996 -10.890 4.424 647 HB2 GLN 38 2HB GLN 38 -3.122 -11.251 3.558 648 HB3 GLN 38 1HB GLN 38 -3.645 -10.856 5.189 649 HG2 GLN 38 2HG GLN 38 -4.816 -12.973 5.346 650 HG3 GLN 38 1HG GLN 38 -4.351 -13.359 3.693 651 HE21 GLN 38 1HE2 GLN 38 -2.191 -13.877 3.245 652 HE22 GLN 38 2HE2 GLN 38 -1.088 -14.341 4.495 653 H LEU 39 H LEU 39 -6.098 -8.810 5.086 654 HA LEU 39 HA LEU 39 -5.981 -6.633 3.446 655 HB2 LEU 39 2HB LEU 39 -6.298 -7.058 6.190 656 HB3 LEU 39 1HB LEU 39 -5.003 -5.887 6.063 657 HG LEU 39 HG LEU 39 -6.926 -4.587 6.282 658 HD11 LEU 39 1HD1 LEU 39 -7.270 -3.488 4.124 659 HD12 LEU 39 2HD1 LEU 39 -6.440 -4.820 3.320 660 HD13 LEU 39 3HD1 LEU 39 -5.563 -3.788 4.448 661 HD21 LEU 39 3HD2 LEU 39 -8.282 -6.368 4.266 662 HD22 LEU 39 1HD2 LEU 39 -8.994 -4.947 5.035 663 HD23 LEU 39 2HD2 LEU 39 -8.563 -6.356 6.007 664 H THR 40 H THR 40 -3.358 -7.740 5.548 665 HA THR 40 HA THR 40 -1.475 -5.827 4.845 666 HB THR 40 HB THR 40 -0.845 -8.668 5.604 667 HG1 THR 40 1HG THR 40 -1.010 -7.847 7.792 668 HG21 THR 40 3HG2 THR 40 1.091 -7.654 6.719 669 HG22 THR 40 1HG2 THR 40 0.582 -6.067 6.146 670 HG23 THR 40 2HG2 THR 40 1.082 -7.302 4.989 671 H GLN 41 H GLN 41 -1.949 -9.089 3.542 672 HA GLN 41 HA GLN 41 0.158 -9.132 1.742 673 HB2 GLN 41 2HB GLN 41 -1.330 -11.041 2.387 674 HB3 GLN 41 1HB GLN 41 -2.565 -10.372 1.333 675 HG2 GLN 41 2HG GLN 41 -1.010 -10.600 -0.575 676 HG3 GLN 41 1HG GLN 41 0.149 -11.375 0.505 677 HE21 GLN 41 1HE2 GLN 41 -2.851 -11.709 -1.199 678 HE22 GLN 41 2HE2 GLN 41 -3.025 -13.419 -0.970 679 H ALA 42 H ALA 42 -3.087 -7.799 1.440 680 HA ALA 42 HA ALA 42 -2.951 -7.184 -1.329 681 HB1 ALA 42 1HB ALA 42 -4.880 -5.758 -0.891 682 HB2 ALA 42 2HB ALA 42 -4.621 -5.950 0.843 683 HB3 ALA 42 3HB ALA 42 -5.060 -7.347 -0.142 684 H ILE 43 H ILE 43 -2.366 -5.242 1.613 685 HA ILE 43 HA ILE 43 -1.609 -2.862 0.346 686 HB ILE 43 HB ILE 43 -1.083 -4.063 3.004 687 HG12 ILE 43 2HG1 ILE 43 -1.808 -1.768 3.717 688 HG13 ILE 43 1HG1 ILE 43 -2.001 -1.362 2.016 689 HG21 ILE 43 1HG2 ILE 43 1.162 -3.412 2.341 690 HG22 ILE 43 2HG2 ILE 43 0.549 -2.382 3.643 691 HG23 ILE 43 3HG2 ILE 43 0.593 -1.774 1.985 692 HD11 ILE 43 3HD1 ILE 43 -3.512 -3.440 3.567 693 HD12 ILE 43 1HD1 ILE 43 -3.644 -3.200 1.823 694 HD13 ILE 43 2HD1 ILE 43 -4.129 -1.915 2.930 695 H GLU 44 H GLU 44 0.317 -5.675 1.255 696 HA GLU 44 HA GLU 44 2.813 -4.667 0.460 697 HB2 GLU 44 2HB GLU 44 1.844 -7.523 0.596 698 HB3 GLU 44 1HB GLU 44 3.525 -7.046 0.420 699 HG2 GLU 44 2HG GLU 44 3.421 -5.920 2.584 700 HG3 GLU 44 1HG GLU 44 1.745 -6.424 2.761 701 H GLU 45 H GLU 45 0.420 -6.591 -1.326 702 HA GLU 45 HA GLU 45 1.933 -6.671 -3.730 703 HB2 GLU 45 2HB GLU 45 -1.062 -6.884 -3.338 704 HB3 GLU 45 1HB GLU 45 -0.202 -7.295 -4.814 705 HG2 GLU 45 2HG GLU 45 0.084 -8.667 -2.151 706 HG3 GLU 45 1HG GLU 45 -0.778 -9.281 -3.557 707 H ALA 46 H ALA 46 -0.348 -4.425 -2.313 708 HA ALA 46 HA ALA 46 -0.794 -2.793 -4.559 709 HB1 ALA 46 1HB ALA 46 -0.796 -1.973 -1.648 710 HB2 ALA 46 2HB ALA 46 -2.150 -2.726 -2.489 711 HB3 ALA 46 3HB ALA 46 -1.588 -1.127 -2.986 712 H ILE 47 H ILE 47 1.430 -2.418 -1.823 713 HA ILE 47 HA ILE 47 2.654 -0.111 -2.845 714 HB ILE 47 HB ILE 47 2.536 -0.682 -0.457 715 HG12 ILE 47 2HG1 ILE 47 5.399 -0.462 -1.364 716 HG13 ILE 47 1HG1 ILE 47 4.258 0.881 -1.386 717 HG21 ILE 47 1HG2 ILE 47 2.881 -3.033 -0.452 718 HG22 ILE 47 2HG2 ILE 47 4.205 -2.295 0.458 719 HG23 ILE 47 3HG2 ILE 47 4.472 -2.852 -1.194 720 HD11 ILE 47 3HD1 ILE 47 5.268 -0.616 1.016 721 HD12 ILE 47 1HD1 ILE 47 3.953 0.564 1.061 722 HD13 ILE 47 2HD1 ILE 47 5.570 1.069 0.573 723 H LYS 48 H LYS 48 3.173 -3.493 -3.338 724 HA LYS 48 HA LYS 48 5.854 -3.283 -4.299 725 HB2 LYS 48 2HB LYS 48 5.028 -5.393 -3.433 726 HB3 LYS 48 1HB LYS 48 3.754 -5.424 -4.630 727 HG2 LYS 48 2HG LYS 48 5.297 -6.929 -5.472 728 HG3 LYS 48 1HG LYS 48 5.652 -5.456 -6.367 729 HD2 LYS 48 2HD LYS 48 7.153 -6.312 -3.893 730 HD3 LYS 48 1HD LYS 48 7.657 -6.723 -5.530 731 HE2 LYS 48 2HE LYS 48 7.641 -4.228 -5.996 732 HE3 LYS 48 1HE LYS 48 7.500 -4.003 -4.253 733 HZ1 LYS 48 3HZ LYS 48 9.691 -5.482 -5.614 734 HZ2 LYS 48 1HZ LYS 48 9.581 -5.167 -3.949 735 HZ3 LYS 48 2HZ LYS 48 9.805 -3.890 -5.047 736 H GLU 49 H GLU 49 2.740 -3.944 -5.967 737 HA GLU 49 HA GLU 49 3.674 -3.492 -8.552 738 HB2 GLU 49 2HB GLU 49 0.978 -3.462 -7.303 739 HB3 GLU 49 1HB GLU 49 1.199 -3.032 -9.002 740 HG2 GLU 49 2HG GLU 49 1.693 -5.642 -7.646 741 HG3 GLU 49 1HG GLU 49 0.814 -5.273 -9.100 742 H TYR 50 H TYR 50 3.016 -1.301 -6.054 743 HA TYR 50 HA TYR 50 2.425 0.977 -7.611 744 HB2 TYR 50 2HB TYR 50 1.834 0.892 -5.276 745 HB3 TYR 50 1HB TYR 50 3.520 0.664 -4.822 746 HD1 TYR 50 2HD TYR 50 1.474 3.039 -6.786 747 HD2 TYR 50 1HD TYR 50 4.598 2.491 -3.988 748 HE1 TYR 50 2HE TYR 50 1.673 5.480 -6.572 749 HE2 TYR 50 1HE TYR 50 4.820 4.941 -3.738 750 HH TYR 50 HH TYR 50 2.510 7.115 -4.904 751 H LEU 51 H LEU 51 5.358 -0.109 -5.942 752 HA LEU 51 HA LEU 51 7.077 1.833 -6.944 753 HB2 LEU 51 2HB LEU 51 7.423 -0.861 -5.782 754 HB3 LEU 51 1HB LEU 51 8.766 -0.228 -6.707 755 HG LEU 51 HG LEU 51 9.434 0.695 -4.784 756 HD11 LEU 51 1HD1 LEU 51 8.446 2.844 -4.169 757 HD12 LEU 51 2HD1 LEU 51 7.061 2.495 -5.206 758 HD13 LEU 51 3HD1 LEU 51 8.667 2.688 -5.912 759 HD21 LEU 51 3HD2 LEU 51 7.977 0.925 -2.785 760 HD22 LEU 51 1HD2 LEU 51 8.035 -0.713 -3.452 761 HD23 LEU 51 2HD2 LEU 51 6.634 0.314 -3.758 762 H GLN 52 H GLN 52 5.955 -1.146 -8.406 763 HA GLN 52 HA GLN 52 7.799 -0.962 -10.604 764 HB2 GLN 52 2HB GLN 52 5.508 -2.752 -9.937 765 HB3 GLN 52 1HB GLN 52 6.015 -2.650 -11.614 766 HG2 GLN 52 2HG GLN 52 7.170 -4.480 -10.763 767 HG3 GLN 52 1HG GLN 52 8.356 -3.178 -10.769 768 HE21 GLN 52 1HE2 GLN 52 6.420 -5.291 -8.857 769 HE22 GLN 52 2HE2 GLN 52 7.183 -4.959 -7.344 770 H LYS 53 H LYS 53 4.468 -0.029 -10.008 771 HA LYS 53 HA LYS 53 3.902 0.764 -12.690 772 HB2 LYS 53 2HB LYS 53 2.193 0.206 -10.923 773 HB3 LYS 53 1HB LYS 53 2.579 1.738 -10.156 774 HG2 LYS 53 2HG LYS 53 1.847 2.930 -12.146 775 HG3 LYS 53 1HG LYS 53 1.486 1.394 -12.936 776 HD2 LYS 53 2HD LYS 53 -0.112 0.914 -11.060 777 HD3 LYS 53 1HD LYS 53 0.148 2.569 -10.500 778 HE2 LYS 53 2HE LYS 53 -0.651 3.424 -12.645 779 HE3 LYS 53 1HE LYS 53 -0.879 1.777 -13.226 780 HZ1 LYS 53 3HZ LYS 53 -2.436 3.258 -11.201 781 HZ2 LYS 53 1HZ LYS 53 -2.422 1.559 -11.203 782 HZ3 LYS 53 2HZ LYS 53 -2.977 2.399 -12.560 783 H ARG 54 H ARG 54 5.770 2.052 -10.223 784 HA ARG 54 HA ARG 54 5.506 4.784 -11.223 785 HB2 ARG 54 2HB ARG 54 5.343 3.866 -8.692 786 HB3 ARG 54 1HB ARG 54 7.067 4.178 -8.784 787 HG2 ARG 54 2HG ARG 54 6.259 6.188 -7.967 788 HG3 ARG 54 1HG ARG 54 6.316 6.500 -9.706 789 HD2 ARG 54 2HD ARG 54 4.009 6.256 -9.950 790 HD3 ARG 54 1HD ARG 54 3.844 5.436 -8.403 791 HE ARG 54 HE ARG 54 4.792 7.979 -7.832 792 HH11 ARG 54 1HH1 ARG 54 1.982 6.636 -9.432 793 HH12 ARG 54 2HH1 ARG 54 0.898 7.863 -8.837 794 HH21 ARG 54 1HH2 ARG 54 3.376 9.585 -7.041 795 HH22 ARG 54 2HH2 ARG 54 1.695 9.540 -7.477 796 H ASN 55 H ASN 55 8.131 2.994 -9.633 797 HA ASN 55 HA ASN 55 9.890 2.874 -11.791 798 HB2 ASN 55 2HB ASN 55 11.539 4.657 -10.849 799 HB3 ASN 55 1HB ASN 55 10.235 5.164 -11.911 800 HD21 ASN 55 1HD2 ASN 55 10.224 7.241 -11.163 801 HD22 ASN 55 2HD2 ASN 55 9.628 7.673 -9.594 802 H GLY 56 H GLY 56 10.146 3.745 -8.335 803 HA2 GLY 56 2HA GLY 56 10.908 2.459 -6.571 804 HA3 GLY 56 1HA GLY 56 11.130 1.111 -7.682 Start of MODEL 10 1 H LYS 11 H LYS 11 -14.099 9.802 11.366 2 HA LYS 11 HA LYS 11 -14.633 8.192 8.939 3 HB2 LYS 11 2HB LYS 11 -15.872 10.122 8.111 4 HB3 LYS 11 1HB LYS 11 -16.585 9.551 9.612 5 HG2 LYS 11 2HG LYS 11 -15.490 11.344 10.836 6 HG3 LYS 11 1HG LYS 11 -14.732 11.909 9.346 7 HD2 LYS 11 2HD LYS 11 -16.968 12.310 8.390 8 HD3 LYS 11 1HD LYS 11 -17.692 11.810 9.922 9 HE2 LYS 11 2HE LYS 11 -16.536 13.633 11.065 10 HE3 LYS 11 1HE LYS 11 -15.802 14.131 9.542 11 HZ1 LYS 11 2HZ LYS 11 -18.702 14.130 10.177 12 HZ2 LYS 11 3HZ LYS 11 -18.038 14.549 8.673 13 HZ3 LYS 11 1HZ LYS 11 -17.704 15.492 10.040 14 H GLN 12 H GLN 12 -13.975 9.614 6.996 15 HA GLN 12 HA GLN 12 -12.398 10.685 5.777 16 HB2 GLN 12 2HB GLN 12 -12.732 12.436 7.673 17 HB3 GLN 12 1HB GLN 12 -11.186 11.858 8.261 18 HG2 GLN 12 2HG GLN 12 -11.625 12.953 5.491 19 HG3 GLN 12 1HG GLN 12 -11.066 13.911 6.860 20 HE21 GLN 12 1HE2 GLN 12 -10.241 11.512 4.510 21 HE22 GLN 12 2HE2 GLN 12 -8.542 11.448 4.845 22 H LYS 13 H LYS 13 -10.573 10.194 8.784 23 HA LYS 13 HA LYS 13 -8.645 8.637 7.192 24 HB2 LYS 13 2HB LYS 13 -6.940 9.282 8.853 25 HB3 LYS 13 1HB LYS 13 -7.647 10.679 8.057 26 HG2 LYS 13 2HG LYS 13 -8.960 11.195 9.982 27 HG3 LYS 13 1HG LYS 13 -8.507 9.677 10.760 28 HD2 LYS 13 2HD LYS 13 -6.177 10.410 10.850 29 HD3 LYS 13 1HD LYS 13 -6.612 11.916 10.043 30 HE2 LYS 13 2HE LYS 13 -7.642 11.016 12.740 31 HE3 LYS 13 1HE LYS 13 -6.356 12.191 12.474 32 HZ1 LYS 13 3HZ LYS 13 -9.155 12.499 11.518 33 HZ2 LYS 13 1HZ LYS 13 -7.906 13.637 11.366 34 HZ3 LYS 13 2HZ LYS 13 -8.509 13.240 12.900 35 H ALA 14 H ALA 14 -7.625 6.849 8.114 36 HA ALA 14 HA ALA 14 -8.827 5.722 10.543 37 HB1 ALA 14 1HB ALA 14 -10.000 4.692 8.694 38 HB2 ALA 14 2HB ALA 14 -8.923 3.518 9.451 39 HB3 ALA 14 3HB ALA 14 -8.470 4.276 7.923 40 H VAL 15 H VAL 15 -7.486 3.775 11.255 41 HA VAL 15 HA VAL 15 -4.640 4.392 10.796 42 HB VAL 15 HB VAL 15 -5.553 2.779 13.133 43 HG11 VAL 15 1HG1 VAL 15 -3.576 3.735 14.199 44 HG12 VAL 15 2HG1 VAL 15 -3.261 4.685 12.747 45 HG13 VAL 15 3HG1 VAL 15 -3.177 2.924 12.683 46 HG21 VAL 15 3HG2 VAL 15 -5.781 4.790 14.503 47 HG22 VAL 15 1HG2 VAL 15 -6.982 4.741 13.215 48 HG23 VAL 15 2HG2 VAL 15 -5.568 5.789 13.063 49 H PHE 16 H PHE 16 -3.198 2.504 10.926 50 HA PHE 16 HA PHE 16 -4.410 -0.057 10.273 51 HB2 PHE 16 2HB PHE 16 -4.004 1.523 8.186 52 HB3 PHE 16 1HB PHE 16 -2.345 0.971 8.372 53 HD1 PHE 16 2HD PHE 16 -5.543 -0.861 8.838 54 HD2 PHE 16 1HD PHE 16 -1.952 -0.457 6.597 55 HE1 PHE 16 2HE PHE 16 -6.108 -2.896 7.578 56 HE2 PHE 16 1HE PHE 16 -2.518 -2.486 5.322 57 HZ PHE 16 HZ PHE 16 -4.590 -3.709 5.819 58 H GLY 17 H GLY 17 -3.238 -1.672 11.112 59 HA2 GLY 17 2HA GLY 17 -0.385 -1.189 11.682 60 HA3 GLY 17 1HA GLY 17 -1.447 -1.804 12.943 61 H ILE 18 H ILE 18 0.361 -2.561 10.107 62 HA ILE 18 HA ILE 18 -0.516 -5.364 10.300 63 HB ILE 18 HB ILE 18 -0.222 -5.563 7.865 64 HG12 ILE 18 2HG1 ILE 18 -0.070 -2.544 7.863 65 HG13 ILE 18 1HG1 ILE 18 1.343 -3.582 7.682 66 HG21 ILE 18 1HG2 ILE 18 -2.282 -4.346 7.266 67 HG22 ILE 18 2HG2 ILE 18 -2.174 -3.464 8.792 68 HG23 ILE 18 3HG2 ILE 18 -2.425 -5.211 8.797 69 HD11 ILE 18 3HD1 ILE 18 0.542 -2.760 5.544 70 HD12 ILE 18 1HD1 ILE 18 -1.035 -3.483 5.846 71 HD13 ILE 18 2HD1 ILE 18 0.382 -4.512 5.647 72 H TYR 19 H TYR 19 1.040 -6.883 9.232 73 HA TYR 19 HA TYR 19 3.810 -6.026 9.738 74 HB2 TYR 19 2HB TYR 19 2.651 -8.823 9.710 75 HB3 TYR 19 1HB TYR 19 4.334 -8.418 10.024 76 HD1 TYR 19 1HD TYR 19 4.648 -6.644 12.007 77 HD2 TYR 19 2HD TYR 19 1.296 -9.223 11.516 78 HE1 TYR 19 1HE TYR 19 4.159 -6.463 14.407 79 HE2 TYR 19 2HE TYR 19 0.793 -9.039 13.916 80 HH TYR 19 HH TYR 19 2.243 -6.710 15.923 81 H MET 20 H MET 20 4.457 -5.272 7.803 82 HA MET 20 HA MET 20 4.042 -6.970 5.431 83 HB2 MET 20 2HB MET 20 4.373 -4.944 4.083 84 HB3 MET 20 1HB MET 20 3.053 -4.734 5.225 85 HG2 MET 20 2HG MET 20 4.722 -3.571 6.728 86 HG3 MET 20 1HG MET 20 5.816 -3.565 5.344 87 HE1 MET 20 3HE MET 20 5.391 -2.118 3.110 88 HE2 MET 20 1HE MET 20 3.817 -1.401 2.754 89 HE3 MET 20 2HE MET 20 3.972 -3.152 2.907 90 H ASP 21 H ASP 21 5.816 -7.085 3.880 91 HA ASP 21 HA ASP 21 8.145 -7.955 5.137 92 HB2 ASP 21 2HB ASP 21 7.558 -7.358 2.243 93 HB3 ASP 21 1HB ASP 21 9.079 -8.035 2.793 94 H LYS 22 H LYS 22 10.340 -7.254 4.834 95 HA LYS 22 HA LYS 22 10.588 -4.520 5.601 96 HB2 LYS 22 2HB LYS 22 11.959 -6.178 6.698 97 HB3 LYS 22 1HB LYS 22 12.600 -6.731 5.156 98 HG2 LYS 22 2HG LYS 22 13.672 -4.503 4.871 99 HG3 LYS 22 1HG LYS 22 13.146 -4.095 6.508 100 HD2 LYS 22 2HD LYS 22 14.413 -5.975 7.400 101 HD3 LYS 22 1HD LYS 22 14.909 -6.431 5.771 102 HE2 LYS 22 2HE LYS 22 16.724 -5.256 6.752 103 HE3 LYS 22 1HE LYS 22 15.988 -4.176 5.571 104 HZ1 LYS 22 3HZ LYS 22 15.481 -4.098 8.498 105 HZ2 LYS 22 1HZ LYS 22 14.869 -3.013 7.347 106 HZ3 LYS 22 2HZ LYS 22 16.532 -3.061 7.665 107 H ASP 23 H ASP 23 12.242 -6.397 3.074 108 HA ASP 23 HA ASP 23 13.498 -4.329 1.776 109 HB2 ASP 23 2HB ASP 23 13.951 -6.664 1.258 110 HB3 ASP 23 1HB ASP 23 12.345 -6.843 0.564 111 H LEU 24 H LEU 24 10.222 -5.458 1.354 112 HA LEU 24 HA LEU 24 9.580 -3.894 -0.898 113 HB2 LEU 24 2HB LEU 24 8.378 -5.894 -0.442 114 HB3 LEU 24 1HB LEU 24 8.022 -5.380 1.192 115 HG LEU 24 HG LEU 24 6.176 -5.403 -0.660 116 HD11 LEU 24 1HD1 LEU 24 5.020 -3.666 0.615 117 HD12 LEU 24 2HD1 LEU 24 6.563 -3.177 1.328 118 HD13 LEU 24 3HD1 LEU 24 5.905 -4.780 1.660 119 HD21 LEU 24 3HD2 LEU 24 5.900 -3.446 -1.921 120 HD22 LEU 24 1HD2 LEU 24 7.616 -3.818 -2.095 121 HD23 LEU 24 2HD2 LEU 24 7.099 -2.561 -0.975 122 H LYS 25 H LYS 25 8.670 -3.511 2.572 123 HA LYS 25 HA LYS 25 7.454 -0.992 2.230 124 HB2 LYS 25 2HB LYS 25 7.368 -2.608 4.242 125 HB3 LYS 25 1HB LYS 25 8.882 -1.871 4.743 126 HG2 LYS 25 2HG LYS 25 7.732 0.338 4.719 127 HG3 LYS 25 1HG LYS 25 6.223 -0.520 4.396 128 HD2 LYS 25 2HD LYS 25 6.107 -0.361 6.671 129 HD3 LYS 25 1HD LYS 25 6.957 -1.900 6.519 130 HE2 LYS 25 2HE LYS 25 8.310 0.766 6.900 131 HE3 LYS 25 1HE LYS 25 7.931 -0.342 8.215 132 HZ1 LYS 25 3HZ LYS 25 10.222 -0.529 7.493 133 HZ2 LYS 25 1HZ LYS 25 9.725 -0.927 5.926 134 HZ3 LYS 25 2HZ LYS 25 9.389 -1.974 7.209 135 H THR 26 H THR 26 10.712 -2.056 2.609 136 HA THR 26 HA THR 26 11.861 0.457 3.361 137 HB THR 26 HB THR 26 13.037 -2.184 2.485 138 HG1 THR 26 1HG THR 26 12.350 -2.296 4.549 139 HG21 THR 26 3HG2 THR 26 14.564 0.277 3.386 140 HG22 THR 26 1HG2 THR 26 14.558 -0.375 1.747 141 HG23 THR 26 2HG2 THR 26 15.250 -1.316 3.068 142 H ARG 27 H ARG 27 11.629 -1.378 0.362 143 HA ARG 27 HA ARG 27 13.011 0.320 -1.345 144 HB2 ARG 27 2HB ARG 27 12.362 -1.646 -2.368 145 HB3 ARG 27 1HB ARG 27 10.768 -1.629 -1.635 146 HG2 ARG 27 2HG ARG 27 10.520 -1.327 -3.975 147 HG3 ARG 27 1HG ARG 27 10.141 0.200 -3.167 148 HD2 ARG 27 2HD ARG 27 11.462 0.692 -5.103 149 HD3 ARG 27 1HD ARG 27 12.455 0.973 -3.674 150 HE ARG 27 HE ARG 27 12.867 -1.659 -4.611 151 HH11 ARG 27 1HH1 ARG 27 13.573 1.670 -5.444 152 HH12 ARG 27 2HH1 ARG 27 15.007 1.280 -6.341 153 HH21 ARG 27 1HH2 ARG 27 14.736 -2.182 -5.817 154 HH22 ARG 27 2HH2 ARG 27 15.667 -0.914 -6.557 155 H LEU 28 H LEU 28 9.605 0.385 -0.410 156 HA LEU 28 HA LEU 28 8.904 2.759 -1.745 157 HB2 LEU 28 2HB LEU 28 7.374 1.013 -0.847 158 HB3 LEU 28 1HB LEU 28 7.707 1.601 0.767 159 HG LEU 28 HG LEU 28 5.527 2.299 -0.339 160 HD11 LEU 28 1HD1 LEU 28 7.307 4.491 0.679 161 HD12 LEU 28 2HD1 LEU 28 6.528 3.277 1.694 162 HD13 LEU 28 3HD1 LEU 28 5.545 4.412 0.762 163 HD21 LEU 28 3HD2 LEU 28 5.636 4.267 -1.776 164 HD22 LEU 28 1HD2 LEU 28 6.445 2.888 -2.522 165 HD23 LEU 28 2HD2 LEU 28 7.397 4.174 -1.781 166 H LYS 29 H LYS 29 10.239 2.171 1.486 167 HA LYS 29 HA LYS 29 10.058 4.754 2.516 168 HB2 LYS 29 2HB LYS 29 10.723 2.879 3.898 169 HB3 LYS 29 1HB LYS 29 12.172 2.632 2.941 170 HG2 LYS 29 2HG LYS 29 11.751 5.209 4.400 171 HG3 LYS 29 1HG LYS 29 12.334 3.781 5.250 172 HD2 LYS 29 2HD LYS 29 14.224 3.618 3.728 173 HD3 LYS 29 1HD LYS 29 13.621 4.996 2.805 174 HE2 LYS 29 2HE LYS 29 15.413 5.679 4.296 175 HE3 LYS 29 1HE LYS 29 13.889 6.426 4.770 176 HZ1 LYS 29 3HZ LYS 29 13.653 4.828 6.531 177 HZ2 LYS 29 1HZ LYS 29 15.165 5.578 6.666 178 HZ3 LYS 29 2HZ LYS 29 15.050 4.003 6.043 179 H VAL 30 H VAL 30 12.426 3.323 0.355 180 HA VAL 30 HA VAL 30 14.132 5.576 0.198 181 HB VAL 30 HB VAL 30 13.707 3.383 -1.814 182 HG11 VAL 30 1HG1 VAL 30 14.880 5.270 -2.784 183 HG12 VAL 30 2HG1 VAL 30 15.990 3.919 -2.551 184 HG13 VAL 30 3HG1 VAL 30 16.016 5.283 -1.434 185 HG21 VAL 30 3HG2 VAL 30 14.258 2.594 0.451 186 HG22 VAL 30 1HG2 VAL 30 15.723 3.575 0.409 187 HG23 VAL 30 2HG2 VAL 30 15.527 2.240 -0.727 188 H TYR 31 H TYR 31 11.295 4.571 -1.512 189 HA TYR 31 HA TYR 31 11.331 6.513 -3.550 190 HB2 TYR 31 2HB TYR 31 9.921 4.543 -3.688 191 HB3 TYR 31 1HB TYR 31 9.043 5.035 -2.240 192 HD1 TYR 31 1HD TYR 31 9.788 6.082 -5.722 193 HD2 TYR 31 2HD TYR 31 7.143 6.368 -2.414 194 HE1 TYR 31 1HE TYR 31 8.190 7.300 -7.114 195 HE2 TYR 31 2HE TYR 31 5.534 7.588 -3.797 196 HH TYR 31 HH TYR 31 5.411 8.871 -5.787 197 H CYS 32 H CYS 32 10.074 6.432 -0.265 198 HA CYS 32 HA CYS 32 8.868 9.022 -0.369 199 HB2 CYS 32 2HB CYS 32 9.729 7.377 2.016 200 HB3 CYS 32 1HB CYS 32 8.688 8.790 2.079 201 HG CYS 32 HG CYS 32 7.954 5.794 0.610 202 H ALA 33 H ALA 33 12.069 7.886 0.088 203 HA ALA 33 HA ALA 33 13.021 10.335 1.280 204 HB1 ALA 33 1HB ALA 33 15.229 9.335 1.049 205 HB2 ALA 33 2HB ALA 33 14.551 8.038 0.064 206 HB3 ALA 33 3HB ALA 33 14.096 8.181 1.761 207 H LYS 34 H LYS 34 12.945 8.804 -1.870 208 HA LYS 34 HA LYS 34 14.545 10.691 -3.220 209 HB2 LYS 34 2HB LYS 34 14.194 8.397 -4.035 210 HB3 LYS 34 1HB LYS 34 12.491 8.747 -4.283 211 HG2 LYS 34 2HG LYS 34 13.174 10.496 -5.925 212 HG3 LYS 34 1HG LYS 34 14.827 9.909 -5.762 213 HD2 LYS 34 2HD LYS 34 12.527 8.134 -6.557 214 HD3 LYS 34 1HD LYS 34 13.500 9.015 -7.731 215 HE2 LYS 34 2HE LYS 34 14.460 6.887 -7.673 216 HE3 LYS 34 1HE LYS 34 15.515 7.859 -6.653 217 HZ1 LYS 34 3HZ LYS 34 15.090 5.753 -5.614 218 HZ2 LYS 34 1HZ LYS 34 13.409 5.967 -5.729 219 HZ3 LYS 34 2HZ LYS 34 14.333 6.963 -4.710 220 H ASN 35 H ASN 35 11.060 10.313 -2.880 221 HA ASN 35 HA ASN 35 10.650 12.787 -4.389 222 HB2 ASN 35 2HB ASN 35 8.713 10.732 -3.309 223 HB3 ASN 35 1HB ASN 35 8.222 12.196 -4.157 224 HD21 ASN 35 1HD2 ASN 35 9.802 9.114 -4.434 225 HD22 ASN 35 2HD2 ASN 35 9.729 9.013 -6.167 226 H ASN 36 H ASN 36 11.482 12.075 -1.391 227 HA ASN 36 HA ASN 36 11.127 12.862 0.722 228 HB2 ASN 36 2HB ASN 36 10.449 15.229 -0.988 229 HB3 ASN 36 1HB ASN 36 10.371 15.335 0.770 230 HD21 ASN 36 1HD2 ASN 36 12.119 16.647 -1.210 231 HD22 ASN 36 2HD2 ASN 36 13.735 16.282 -0.713 232 H LEU 37 H LEU 37 8.824 11.553 -0.713 233 HA LEU 37 HA LEU 37 6.429 12.670 0.225 234 HB2 LEU 37 2HB LEU 37 7.288 10.244 -1.131 235 HB3 LEU 37 1HB LEU 37 5.983 9.951 0.005 236 HG LEU 37 HG LEU 37 4.587 11.591 -1.130 237 HD11 LEU 37 1HD1 LEU 37 6.341 13.103 -1.886 238 HD12 LEU 37 2HD1 LEU 37 5.294 12.615 -3.221 239 HD13 LEU 37 3HD1 LEU 37 6.893 11.890 -3.044 240 HD21 LEU 37 3HD2 LEU 37 4.265 10.364 -3.227 241 HD22 LEU 37 1HD2 LEU 37 4.494 9.279 -1.858 242 HD23 LEU 37 2HD2 LEU 37 5.818 9.563 -2.989 243 H GLN 38 H GLN 38 4.986 11.680 1.778 244 HA GLN 38 HA GLN 38 6.348 10.782 4.176 245 HB2 GLN 38 2HB GLN 38 3.421 11.284 3.615 246 HB3 GLN 38 1HB GLN 38 4.077 10.816 5.177 247 HG2 GLN 38 2HG GLN 38 5.354 12.859 5.289 248 HG3 GLN 38 1HG GLN 38 4.789 13.318 3.684 249 HE21 GLN 38 1HE2 GLN 38 2.670 13.988 3.412 250 HE22 GLN 38 2HE2 GLN 38 1.673 14.467 4.747 251 H LEU 39 H LEU 39 6.348 8.710 4.889 252 HA LEU 39 HA LEU 39 6.071 6.552 3.256 253 HB2 LEU 39 2HB LEU 39 6.455 6.964 6.017 254 HB3 LEU 39 1HB LEU 39 5.208 5.743 5.861 255 HG LEU 39 HG LEU 39 7.288 4.603 6.043 256 HD11 LEU 39 1HD1 LEU 39 7.434 3.399 3.930 257 HD12 LEU 39 2HD1 LEU 39 6.484 4.663 3.144 258 HD13 LEU 39 3HD1 LEU 39 5.755 3.666 4.403 259 HD21 LEU 39 3HD2 LEU 39 9.169 5.013 4.515 260 HD22 LEU 39 1HD2 LEU 39 8.790 6.429 5.502 261 HD23 LEU 39 2HD2 LEU 39 8.282 6.369 3.814 262 H THR 40 H THR 40 3.541 7.843 5.377 263 HA THR 40 HA THR 40 1.590 5.941 4.770 264 HB THR 40 HB THR 40 1.044 8.811 5.482 265 HG1 THR 40 1HG THR 40 1.283 8.132 7.654 266 HG21 THR 40 3HG2 THR 40 -0.447 6.258 6.089 267 HG22 THR 40 1HG2 THR 40 -0.919 7.476 4.905 268 HG23 THR 40 2HG2 THR 40 -0.913 7.873 6.624 269 H GLN 41 H GLN 41 2.149 9.171 3.390 270 HA GLN 41 HA GLN 41 0.001 9.209 1.616 271 HB2 GLN 41 2HB GLN 41 1.557 11.101 2.249 272 HB3 GLN 41 1HB GLN 41 2.709 10.437 1.104 273 HG2 GLN 41 2HG GLN 41 0.119 10.780 -0.112 274 HG3 GLN 41 1HG GLN 41 0.706 12.286 0.585 275 HE21 GLN 41 1HE2 GLN 41 2.688 13.142 -0.170 276 HE22 GLN 41 2HE2 GLN 41 3.274 12.729 -1.739 277 H ALA 42 H ALA 42 3.201 7.811 1.330 278 HA ALA 42 HA ALA 42 3.039 7.125 -1.426 279 HB1 ALA 42 1HB ALA 42 5.157 7.286 -0.219 280 HB2 ALA 42 2HB ALA 42 4.956 5.709 -0.982 281 HB3 ALA 42 3HB ALA 42 4.700 5.887 0.754 282 H ILE 43 H ILE 43 2.470 5.271 1.577 283 HA ILE 43 HA ILE 43 1.695 2.858 0.391 284 HB ILE 43 HB ILE 43 1.194 4.137 3.020 285 HG12 ILE 43 2HG1 ILE 43 1.918 1.881 3.813 286 HG13 ILE 43 1HG1 ILE 43 2.054 1.376 2.135 287 HG21 ILE 43 1HG2 ILE 43 -1.060 3.486 2.387 288 HG22 ILE 43 2HG2 ILE 43 -0.453 2.494 3.721 289 HG23 ILE 43 3HG2 ILE 43 -0.507 1.833 2.083 290 HD11 ILE 43 3HD1 ILE 43 4.221 1.918 2.941 291 HD12 ILE 43 1HD1 ILE 43 3.664 3.481 3.542 292 HD13 ILE 43 2HD1 ILE 43 3.733 3.176 1.805 293 H GLU 44 H GLU 44 -0.224 5.709 1.203 294 HA GLU 44 HA GLU 44 -2.715 4.638 0.458 295 HB2 GLU 44 2HB GLU 44 -1.779 7.504 0.559 296 HB3 GLU 44 1HB GLU 44 -3.455 7.016 0.348 297 HG2 GLU 44 2HG GLU 44 -3.327 5.833 2.519 298 HG3 GLU 44 1HG GLU 44 -1.703 6.475 2.731 299 H GLU 45 H GLU 45 -0.482 6.721 -1.388 300 HA GLU 45 HA GLU 45 -1.823 6.633 -3.829 301 HB2 GLU 45 2HB GLU 45 1.055 6.945 -3.047 302 HB3 GLU 45 1HB GLU 45 0.621 6.803 -4.746 303 HG2 GLU 45 2HG GLU 45 -0.650 8.826 -2.943 304 HG3 GLU 45 1HG GLU 45 0.875 9.136 -3.777 305 H ALA 46 H ALA 46 0.369 4.358 -2.293 306 HA ALA 46 HA ALA 46 0.772 2.658 -4.494 307 HB1 ALA 46 1HB ALA 46 0.758 1.914 -1.567 308 HB2 ALA 46 2HB ALA 46 2.127 2.619 -2.427 309 HB3 ALA 46 3HB ALA 46 1.531 1.020 -2.882 310 H ILE 47 H ILE 47 -1.414 2.331 -1.724 311 HA ILE 47 HA ILE 47 -2.736 0.084 -2.728 312 HB ILE 47 HB ILE 47 -2.590 0.604 -0.358 313 HG12 ILE 47 2HG1 ILE 47 -5.480 0.653 -1.197 314 HG13 ILE 47 1HG1 ILE 47 -4.470 -0.791 -1.268 315 HG21 ILE 47 1HG2 ILE 47 -4.399 2.913 -0.987 316 HG22 ILE 47 2HG2 ILE 47 -2.734 2.996 -0.402 317 HG23 ILE 47 3HG2 ILE 47 -4.006 2.346 0.635 318 HD11 ILE 47 3HD1 ILE 47 -4.062 -0.519 1.174 319 HD12 ILE 47 1HD1 ILE 47 -5.734 -0.877 0.734 320 HD13 ILE 47 2HD1 ILE 47 -5.267 0.769 1.172 321 H LYS 48 H LYS 48 -3.246 3.508 -3.118 322 HA LYS 48 HA LYS 48 -5.874 3.352 -4.168 323 HB2 LYS 48 2HB LYS 48 -5.059 5.463 -3.354 324 HB3 LYS 48 1HB LYS 48 -3.692 5.416 -4.442 325 HG2 LYS 48 2HG LYS 48 -4.858 6.641 -5.866 326 HG3 LYS 48 1HG LYS 48 -5.922 5.256 -6.104 327 HD2 LYS 48 2HD LYS 48 -6.283 7.357 -3.972 328 HD3 LYS 48 1HD LYS 48 -7.118 7.349 -5.524 329 HE2 LYS 48 2HE LYS 48 -8.153 5.211 -4.970 330 HE3 LYS 48 1HE LYS 48 -7.283 5.182 -3.439 331 HZ1 LYS 48 3HZ LYS 48 -9.271 7.241 -4.235 332 HZ2 LYS 48 1HZ LYS 48 -8.467 7.158 -2.743 333 HZ3 LYS 48 2HZ LYS 48 -9.575 5.947 -3.181 334 H GLU 49 H GLU 49 -2.746 3.926 -5.846 335 HA GLU 49 HA GLU 49 -3.732 3.479 -8.417 336 HB2 GLU 49 2HB GLU 49 -1.008 3.393 -7.221 337 HB3 GLU 49 1HB GLU 49 -1.280 3.015 -8.925 338 HG2 GLU 49 2HG GLU 49 -1.625 5.597 -7.486 339 HG3 GLU 49 1HG GLU 49 -0.877 5.241 -9.014 340 H TYR 50 H TYR 50 -3.166 1.299 -5.930 341 HA TYR 50 HA TYR 50 -2.478 -0.986 -7.447 342 HB2 TYR 50 2HB TYR 50 -1.925 -0.871 -5.112 343 HB3 TYR 50 1HB TYR 50 -3.619 -0.651 -4.681 344 HD1 TYR 50 1HD TYR 50 -1.544 -3.029 -6.606 345 HD2 TYR 50 2HD TYR 50 -4.675 -2.486 -3.814 346 HE1 TYR 50 1HE TYR 50 -1.725 -5.473 -6.377 347 HE2 TYR 50 2HE TYR 50 -4.890 -4.938 -3.560 348 HH TYR 50 HH TYR 50 -2.557 -7.105 -4.695 349 H LEU 51 H LEU 51 -5.459 0.045 -5.834 350 HA LEU 51 HA LEU 51 -7.093 -2.001 -6.775 351 HB2 LEU 51 2HB LEU 51 -7.559 0.735 -5.740 352 HB3 LEU 51 1HB LEU 51 -8.885 -0.045 -6.569 353 HG LEU 51 HG LEU 51 -9.424 -0.928 -4.598 354 HD11 LEU 51 1HD1 LEU 51 -8.191 -2.899 -3.837 355 HD12 LEU 51 2HD1 LEU 51 -6.869 -2.484 -4.930 356 HD13 LEU 51 3HD1 LEU 51 -8.454 -2.908 -5.581 357 HD21 LEU 51 3HD2 LEU 51 -6.674 -0.130 -3.663 358 HD22 LEU 51 1HD2 LEU 51 -7.904 -0.842 -2.615 359 HD23 LEU 51 2HD2 LEU 51 -8.195 0.722 -3.384 360 H GLN 52 H GLN 52 -6.188 1.048 -8.250 361 HA GLN 52 HA GLN 52 -8.025 0.689 -10.439 362 HB2 GLN 52 2HB GLN 52 -5.931 2.708 -9.757 363 HB3 GLN 52 1HB GLN 52 -6.504 2.611 -11.416 364 HG2 GLN 52 2HG GLN 52 -7.741 4.291 -10.257 365 HG3 GLN 52 1HG GLN 52 -8.810 2.934 -10.601 366 HE21 GLN 52 1HE2 GLN 52 -7.192 4.762 -8.156 367 HE22 GLN 52 2HE2 GLN 52 -8.011 4.067 -6.802 368 H LYS 53 H LYS 53 -4.710 -0.112 -9.798 369 HA LYS 53 HA LYS 53 -4.045 -0.773 -12.509 370 HB2 LYS 53 2HB LYS 53 -2.358 -0.213 -10.744 371 HB3 LYS 53 1HB LYS 53 -2.735 -1.743 -9.968 372 HG2 LYS 53 2HG LYS 53 -1.996 -2.938 -11.975 373 HG3 LYS 53 1HG LYS 53 -1.582 -1.395 -12.726 374 HD2 LYS 53 2HD LYS 53 0.035 -0.963 -10.931 375 HD3 LYS 53 1HD LYS 53 -0.378 -2.512 -10.192 376 HE2 LYS 53 2HE LYS 53 0.402 -3.682 -12.189 377 HE3 LYS 53 1HE LYS 53 0.787 -2.141 -12.951 378 HZ1 LYS 53 3HZ LYS 53 2.232 -1.865 -10.797 379 HZ2 LYS 53 1HZ LYS 53 2.817 -2.726 -12.133 380 HZ3 LYS 53 2HZ LYS 53 2.190 -3.560 -10.800 381 H ARG 54 H ARG 54 -5.876 -2.220 -10.074 382 HA ARG 54 HA ARG 54 -5.406 -4.905 -11.139 383 HB2 ARG 54 2HB ARG 54 -5.109 -4.113 -8.615 384 HB3 ARG 54 1HB ARG 54 -6.832 -4.441 -8.570 385 HG2 ARG 54 2HG ARG 54 -6.020 -6.482 -7.925 386 HG3 ARG 54 1HG ARG 54 -6.079 -6.715 -9.678 387 HD2 ARG 54 2HD ARG 54 -3.784 -6.451 -9.921 388 HD3 ARG 54 1HD ARG 54 -3.622 -5.629 -8.382 389 HE ARG 54 HE ARG 54 -4.494 -8.350 -8.109 390 HH11 ARG 54 1HH1 ARG 54 -1.666 -6.337 -8.588 391 HH12 ARG 54 2HH1 ARG 54 -0.600 -7.415 -7.744 392 HH21 ARG 54 1HH2 ARG 54 -3.063 -9.779 -7.003 393 HH22 ARG 54 2HH2 ARG 54 -1.386 -9.347 -6.826 394 H ASN 55 H ASN 55 -8.082 -3.273 -9.442 395 HA ASN 55 HA ASN 55 -9.965 -3.370 -11.455 396 HB2 ASN 55 2HB ASN 55 -11.391 -5.312 -10.493 397 HB3 ASN 55 1HB ASN 55 -10.086 -5.682 -11.605 398 HD21 ASN 55 1HD2 ASN 55 -9.954 -7.775 -10.870 399 HD22 ASN 55 2HD2 ASN 55 -9.256 -8.176 -9.340 400 H GLY 56 H GLY 56 -9.957 -4.281 -7.992 401 HA2 GLY 56 2HA GLY 56 -10.746 -2.858 -6.261 402 HA3 GLY 56 1HA GLY 56 -11.641 -1.943 -7.464 403 H LYS 11 H LYS 11 14.081 -9.543 11.433 404 HA LYS 11 HA LYS 11 14.604 -7.971 8.979 405 HB2 LYS 11 2HB LYS 11 15.842 -9.909 8.174 406 HB3 LYS 11 1HB LYS 11 16.561 -9.319 9.666 407 HG2 LYS 11 2HG LYS 11 15.469 -11.099 10.912 408 HG3 LYS 11 1HG LYS 11 14.702 -11.676 9.433 409 HD2 LYS 11 2HD LYS 11 16.934 -12.093 8.470 410 HD3 LYS 11 1HD LYS 11 17.665 -11.577 9.992 411 HE2 LYS 11 2HE LYS 11 16.511 -13.384 11.161 412 HE3 LYS 11 1HE LYS 11 15.764 -13.893 9.649 413 HZ1 LYS 11 2HZ LYS 11 18.671 -13.908 10.262 414 HZ2 LYS 11 3HZ LYS 11 17.991 -14.338 8.769 415 HZ3 LYS 11 1HZ LYS 11 17.660 -15.263 10.152 416 H GLN 12 H GLN 12 13.929 -9.397 7.061 417 HA GLN 12 HA GLN 12 12.358 -10.491 5.854 418 HB2 GLN 12 2HB GLN 12 12.693 -12.225 7.771 419 HB3 GLN 12 1HB GLN 12 11.149 -11.641 8.354 420 HG2 GLN 12 2HG GLN 12 11.586 -12.761 5.594 421 HG3 GLN 12 1HG GLN 12 11.032 -13.709 6.970 422 HE21 GLN 12 1HE2 GLN 12 10.200 -11.336 4.602 423 HE22 GLN 12 2HE2 GLN 12 8.503 -11.273 4.930 424 H LYS 13 H LYS 13 10.540 -9.963 8.862 425 HA LYS 13 HA LYS 13 8.605 -8.431 7.254 426 HB2 LYS 13 2HB LYS 13 6.908 -9.058 8.926 427 HB3 LYS 13 1HB LYS 13 7.615 -10.462 8.142 428 HG2 LYS 13 2HG LYS 13 8.933 -10.961 10.068 429 HG3 LYS 13 1HG LYS 13 8.487 -9.434 10.834 430 HD2 LYS 13 2HD LYS 13 6.157 -10.167 10.942 431 HD3 LYS 13 1HD LYS 13 6.590 -11.678 10.144 432 HE2 LYS 13 2HE LYS 13 7.624 -10.757 12.831 433 HE3 LYS 13 1HE LYS 13 6.346 -11.943 12.577 434 HZ1 LYS 13 3HZ LYS 13 9.142 -12.236 11.611 435 HZ2 LYS 13 1HZ LYS 13 7.904 -13.388 11.476 436 HZ3 LYS 13 2HZ LYS 13 8.517 -12.970 13.003 437 H ALA 14 H ALA 14 7.585 -6.628 8.163 438 HA ALA 14 HA ALA 14 8.802 -5.486 10.578 439 HB1 ALA 14 1HB ALA 14 9.965 -4.475 8.720 440 HB2 ALA 14 2HB ALA 14 8.888 -3.292 9.461 441 HB3 ALA 14 3HB ALA 14 8.434 -4.069 7.942 442 H VAL 15 H VAL 15 7.456 -3.533 11.285 443 HA VAL 15 HA VAL 15 4.612 -4.152 10.835 444 HB VAL 15 HB VAL 15 5.531 -2.509 13.147 445 HG11 VAL 15 1HG1 VAL 15 3.556 -3.461 14.225 446 HG12 VAL 15 2HG1 VAL 15 3.242 -4.422 12.780 447 HG13 VAL 15 3HG1 VAL 15 3.156 -2.661 12.706 448 HG21 VAL 15 3HG2 VAL 15 5.765 -4.507 14.537 449 HG22 VAL 15 1HG2 VAL 15 6.961 -4.468 13.243 450 HG23 VAL 15 2HG2 VAL 15 5.548 -5.520 13.107 451 H PHE 16 H PHE 16 3.164 -2.262 10.953 452 HA PHE 16 HA PHE 16 4.375 0.290 10.259 453 HB2 PHE 16 2HB PHE 16 3.964 -1.311 8.188 454 HB3 PHE 16 1HB PHE 16 2.306 -0.756 8.374 455 HD1 PHE 16 2HD PHE 16 5.506 1.081 8.812 456 HD2 PHE 16 1HD PHE 16 1.910 0.650 6.579 457 HE1 PHE 16 2HE PHE 16 6.068 3.101 7.525 458 HE2 PHE 16 1HE PHE 16 2.473 2.664 5.282 459 HZ PHE 16 HZ PHE 16 4.547 3.891 5.761 460 H GLY 17 H GLY 17 3.208 1.913 11.084 461 HA2 GLY 17 2HA GLY 17 0.360 1.442 11.667 462 HA3 GLY 17 1HA GLY 17 1.427 2.068 12.915 463 H ILE 18 H ILE 18 -0.387 2.791 10.075 464 HA ILE 18 HA ILE 18 0.485 5.599 10.237 465 HB ILE 18 HB ILE 18 0.185 5.769 7.799 466 HG12 ILE 18 2HG1 ILE 18 0.027 2.748 7.831 467 HG13 ILE 18 1HG1 ILE 18 -1.383 3.790 7.641 468 HG21 ILE 18 1HG2 ILE 18 2.241 4.542 7.209 469 HG22 ILE 18 2HG2 ILE 18 2.136 3.680 8.745 470 HG23 ILE 18 3HG2 ILE 18 2.390 5.426 8.729 471 HD11 ILE 18 3HD1 ILE 18 -0.587 2.943 5.510 472 HD12 ILE 18 1HD1 ILE 18 0.993 3.666 5.801 473 HD13 ILE 18 2HD1 ILE 18 -0.423 4.696 5.595 474 H TYR 19 H TYR 19 -1.085 7.099 9.141 475 HA TYR 19 HA TYR 19 -3.849 6.255 9.675 476 HB2 TYR 19 2HB TYR 19 -2.687 9.050 9.614 477 HB3 TYR 19 1HB TYR 19 -4.369 8.651 9.940 478 HD1 TYR 19 1HD TYR 19 -4.679 6.901 11.945 479 HD2 TYR 19 2HD TYR 19 -1.323 9.471 11.413 480 HE1 TYR 19 1HE TYR 19 -4.178 6.745 14.347 481 HE2 TYR 19 2HE TYR 19 -0.812 9.310 13.812 482 HH TYR 19 HH TYR 19 -2.267 6.999 15.845 483 H MET 20 H MET 20 -4.502 5.480 7.752 484 HA MET 20 HA MET 20 -4.092 7.149 5.358 485 HB2 MET 20 2HB MET 20 -4.426 5.109 4.038 486 HB3 MET 20 1HB MET 20 -3.102 4.912 5.174 487 HG2 MET 20 2HG MET 20 -4.764 3.768 6.701 488 HG3 MET 20 1HG MET 20 -5.865 3.744 5.321 489 HE1 MET 20 3HE MET 20 -5.441 2.266 3.098 490 HE2 MET 20 1HE MET 20 -3.866 1.545 2.753 491 HE3 MET 20 2HE MET 20 -4.020 3.298 2.885 492 H ASP 21 H ASP 21 -5.870 7.239 3.808 493 HA ASP 21 HA ASP 21 -8.190 8.128 5.065 494 HB2 ASP 21 2HB ASP 21 -7.609 7.500 2.179 495 HB3 ASP 21 1HB ASP 21 -9.139 8.166 2.719 496 H LYS 22 H LYS 22 -10.389 7.420 4.779 497 HA LYS 22 HA LYS 22 -10.637 4.691 5.576 498 HB2 LYS 22 2HB LYS 22 -12.000 6.367 6.659 499 HB3 LYS 22 1HB LYS 22 -12.646 6.903 5.113 500 HG2 LYS 22 2HG LYS 22 -13.722 4.675 4.855 501 HG3 LYS 22 1HG LYS 22 -13.189 4.285 6.495 502 HD2 LYS 22 2HD LYS 22 -14.459 6.172 7.371 503 HD3 LYS 22 1HD LYS 22 -14.957 6.612 5.737 504 HE2 LYS 22 2HE LYS 22 -16.774 5.444 6.724 505 HE3 LYS 22 1HE LYS 22 -16.030 4.349 5.559 506 HZ1 LYS 22 3HZ LYS 22 -15.529 4.316 8.486 507 HZ2 LYS 22 1HZ LYS 22 -14.920 3.209 7.352 508 HZ3 LYS 22 2HZ LYS 22 -16.584 3.271 7.672 509 H ASP 23 H ASP 23 -12.300 6.547 3.035 510 HA ASP 23 HA ASP 23 -13.557 4.465 1.763 511 HB2 ASP 23 2HB ASP 23 -14.008 6.795 1.225 512 HB3 ASP 23 1HB ASP 23 -12.410 6.959 0.508 513 H LEU 24 H LEU 24 -10.277 5.579 1.329 514 HA LEU 24 HA LEU 24 -9.646 3.999 -0.917 515 HB2 LEU 24 2HB LEU 24 -8.444 6.005 -0.484 516 HB3 LEU 24 1HB LEU 24 -8.082 5.505 1.153 517 HG LEU 24 HG LEU 24 -6.242 5.512 -0.707 518 HD11 LEU 24 1HD1 LEU 24 -5.079 3.795 0.582 519 HD12 LEU 24 2HD1 LEU 24 -6.619 3.304 1.302 520 HD13 LEU 24 3HD1 LEU 24 -5.968 4.912 1.621 521 HD21 LEU 24 3HD2 LEU 24 -5.963 3.537 -1.940 522 HD22 LEU 24 1HD2 LEU 24 -7.675 3.911 -2.125 523 HD23 LEU 24 2HD2 LEU 24 -7.166 2.667 -0.985 524 H LYS 25 H LYS 25 -8.722 3.653 2.552 525 HA LYS 25 HA LYS 25 -7.508 1.130 2.235 526 HB2 LYS 25 2HB LYS 25 -7.408 2.768 4.228 527 HB3 LYS 25 1HB LYS 25 -8.925 2.042 4.741 528 HG2 LYS 25 2HG LYS 25 -7.785 -0.172 4.742 529 HG3 LYS 25 1HG LYS 25 -6.272 0.677 4.404 530 HD2 LYS 25 2HD LYS 25 -6.151 0.551 6.683 531 HD3 LYS 25 1HD LYS 25 -7.000 2.088 6.511 532 HE2 LYS 25 2HE LYS 25 -8.361 -0.570 6.929 533 HE3 LYS 25 1HE LYS 25 -7.970 0.548 8.232 534 HZ1 LYS 25 3HZ LYS 25 -10.259 0.754 7.522 535 HZ2 LYS 25 1HZ LYS 25 -9.772 1.116 5.945 536 HZ3 LYS 25 2HZ LYS 25 -9.417 2.183 7.207 537 H THR 26 H THR 26 -10.765 2.200 2.610 538 HA THR 26 HA THR 26 -11.917 -0.301 3.400 539 HB THR 26 HB THR 26 -13.096 2.326 2.487 540 HG1 THR 26 1HG THR 26 -12.393 2.478 4.543 541 HG21 THR 26 3HG2 THR 26 -14.616 -0.122 3.431 542 HG22 THR 26 1HG2 THR 26 -14.616 0.511 1.785 543 HG23 THR 26 2HG2 THR 26 -15.303 1.467 3.097 544 H ARG 27 H ARG 27 -11.686 1.497 0.376 545 HA ARG 27 HA ARG 27 -13.073 -0.219 -1.306 546 HB2 ARG 27 2HB ARG 27 -12.432 1.735 -2.354 547 HB3 ARG 27 1HB ARG 27 -10.836 1.729 -1.624 548 HG2 ARG 27 2HG ARG 27 -10.596 1.405 -3.962 549 HG3 ARG 27 1HG ARG 27 -10.211 -0.113 -3.142 550 HD2 ARG 27 2HD ARG 27 -11.536 -0.632 -5.063 551 HD3 ARG 27 1HD ARG 27 -12.529 -0.889 -3.630 552 HE ARG 27 HE ARG 27 -12.932 1.731 -4.611 553 HH11 ARG 27 1HH1 ARG 27 -13.652 -1.612 -5.400 554 HH12 ARG 27 2HH1 ARG 27 -15.084 -1.221 -6.294 555 HH21 ARG 27 1HH2 ARG 27 -14.818 2.234 -5.813 556 HH22 ARG 27 2HH2 ARG 27 -15.736 0.947 -6.542 557 H LEU 28 H LEU 28 -9.669 -0.270 -0.377 558 HA LEU 28 HA LEU 28 -8.967 -2.656 -1.692 559 HB2 LEU 28 2HB LEU 28 -7.437 -0.901 -0.812 560 HB3 LEU 28 1HB LEU 28 -7.764 -1.474 0.807 561 HG LEU 28 HG LEU 28 -5.587 -2.183 -0.301 562 HD11 LEU 28 1HD1 LEU 28 -7.365 -4.364 0.744 563 HD12 LEU 28 2HD1 LEU 28 -6.583 -3.141 1.745 564 HD13 LEU 28 3HD1 LEU 28 -5.603 -4.284 0.821 565 HD21 LEU 28 3HD2 LEU 28 -5.707 -4.163 -1.721 566 HD22 LEU 28 1HD2 LEU 28 -6.511 -2.787 -2.475 567 HD23 LEU 28 2HD2 LEU 28 -7.468 -4.065 -1.722 568 H LYS 29 H LYS 29 -10.295 -2.036 1.527 569 HA LYS 29 HA LYS 29 -10.105 -4.604 2.600 570 HB2 LYS 29 2HB LYS 29 -10.772 -2.716 3.959 571 HB3 LYS 29 1HB LYS 29 -12.222 -2.479 2.998 572 HG2 LYS 29 2HG LYS 29 -11.797 -5.043 4.483 573 HG3 LYS 29 1HG LYS 29 -12.378 -3.607 5.322 574 HD2 LYS 29 2HD LYS 29 -14.278 -3.461 3.812 575 HD3 LYS 29 1HD LYS 29 -13.679 -4.845 2.895 576 HE2 LYS 29 2HE LYS 29 -15.457 -5.527 4.402 577 HE3 LYS 29 1HE LYS 29 -13.926 -6.256 4.886 578 HZ1 LYS 29 3HZ LYS 29 -13.704 -4.612 6.615 579 HZ2 LYS 29 1HZ LYS 29 -15.200 -5.392 6.770 580 HZ3 LYS 29 2HZ LYS 29 -15.120 -3.829 6.116 581 H VAL 30 H VAL 30 -12.480 -3.203 0.429 582 HA VAL 30 HA VAL 30 -14.186 -5.459 0.293 583 HB VAL 30 HB VAL 30 -13.770 -3.286 -1.742 584 HG11 VAL 30 1HG1 VAL 30 -14.940 -5.180 -2.695 585 HG12 VAL 30 2HG1 VAL 30 -16.057 -3.834 -2.469 586 HG13 VAL 30 3HG1 VAL 30 -16.073 -5.191 -1.342 587 HG21 VAL 30 3HG2 VAL 30 -14.315 -2.471 0.514 588 HG22 VAL 30 1HG2 VAL 30 -15.777 -3.457 0.495 589 HG23 VAL 30 2HG2 VAL 30 -15.593 -2.132 -0.659 590 H TYR 31 H TYR 31 -11.355 -4.466 -1.434 591 HA TYR 31 HA TYR 31 -11.402 -6.429 -3.454 592 HB2 TYR 31 2HB TYR 31 -9.987 -4.462 -3.615 593 HB3 TYR 31 1HB TYR 31 -9.106 -4.944 -2.165 594 HD1 TYR 31 1HD TYR 31 -9.864 -6.027 -5.634 595 HD2 TYR 31 2HD TYR 31 -7.208 -6.271 -2.333 596 HE1 TYR 31 1HE TYR 31 -8.271 -7.261 -7.016 597 HE2 TYR 31 2HE TYR 31 -5.605 -7.509 -3.705 598 HH TYR 31 HH TYR 31 -5.487 -8.814 -5.673 599 H CYS 32 H CYS 32 -10.144 -6.321 -0.172 600 HA CYS 32 HA CYS 32 -8.928 -8.908 -0.254 601 HB2 CYS 32 2HB CYS 32 -9.782 -7.236 2.112 602 HB3 CYS 32 1HB CYS 32 -8.743 -8.651 2.188 603 HG CYS 32 HG CYS 32 -8.011 -5.674 0.690 604 H ALA 33 H ALA 33 -12.125 -7.773 0.214 605 HA ALA 33 HA ALA 33 -13.077 -10.213 1.427 606 HB1 ALA 33 1HB ALA 33 -15.283 -9.209 1.188 607 HB2 ALA 33 2HB ALA 33 -14.606 -7.926 0.184 608 HB3 ALA 33 3HB ALA 33 -14.147 -8.047 1.882 609 H LYS 34 H LYS 34 -13.014 -8.701 -1.743 610 HA LYS 34 HA LYS 34 -14.608 -10.610 -3.066 611 HB2 LYS 34 2HB LYS 34 -14.263 -8.328 -3.912 612 HB3 LYS 34 1HB LYS 34 -12.559 -8.676 -4.162 613 HG2 LYS 34 2HG LYS 34 -13.249 -10.448 -5.782 614 HG3 LYS 34 1HG LYS 34 -14.901 -9.857 -5.619 615 HD2 LYS 34 2HD LYS 34 -12.606 -8.091 -6.440 616 HD3 LYS 34 1HD LYS 34 -13.582 -8.984 -7.603 617 HE2 LYS 34 2HE LYS 34 -14.547 -6.858 -7.561 618 HE3 LYS 34 1HE LYS 34 -15.596 -7.820 -6.526 619 HZ1 LYS 34 3HZ LYS 34 -15.161 -5.703 -5.516 620 HZ2 LYS 34 1HZ LYS 34 -13.483 -5.924 -5.633 621 HZ3 LYS 34 2HZ LYS 34 -14.410 -6.907 -4.602 622 H ASN 35 H ASN 35 -11.123 -10.223 -2.743 623 HA ASN 35 HA ASN 35 -10.713 -12.715 -4.222 624 HB2 ASN 35 2HB ASN 35 -8.776 -10.644 -3.174 625 HB3 ASN 35 1HB ASN 35 -8.287 -12.116 -4.005 626 HD21 ASN 35 1HD2 ASN 35 -9.882 -9.042 -4.323 627 HD22 ASN 35 2HD2 ASN 35 -9.805 -8.967 -6.056 628 H ASN 36 H ASN 36 -11.537 -11.963 -1.226 629 HA ASN 36 HA ASN 36 -11.182 -12.736 0.890 630 HB2 ASN 36 2HB ASN 36 -10.507 -15.117 -0.801 631 HB3 ASN 36 1HB ASN 36 -10.424 -15.207 0.956 632 HD21 ASN 36 1HD2 ASN 36 -12.173 -16.533 -1.023 633 HD22 ASN 36 2HD2 ASN 36 -13.787 -16.184 -0.499 634 H LEU 37 H LEU 37 -8.880 -11.445 -0.572 635 HA LEU 37 HA LEU 37 -6.481 -12.551 0.371 636 HB2 LEU 37 2HB LEU 37 -7.348 -10.140 -1.007 637 HB3 LEU 37 1HB LEU 37 -6.039 -9.835 0.122 638 HG LEU 37 HG LEU 37 -4.645 -11.484 -1.004 639 HD11 LEU 37 1HD1 LEU 37 -6.402 -13.003 -1.738 640 HD12 LEU 37 2HD1 LEU 37 -5.356 -12.529 -3.079 641 HD13 LEU 37 3HD1 LEU 37 -6.955 -11.803 -2.910 642 HD21 LEU 37 3HD2 LEU 37 -4.327 -10.275 -3.113 643 HD22 LEU 37 1HD2 LEU 37 -4.556 -9.178 -1.752 644 HD23 LEU 37 2HD2 LEU 37 -5.881 -9.474 -2.877 645 H GLN 38 H GLN 38 -5.035 -11.542 1.913 646 HA GLN 38 HA GLN 38 -6.394 -10.623 4.302 647 HB2 GLN 38 2HB GLN 38 -3.466 -11.124 3.738 648 HB3 GLN 38 1HB GLN 38 -4.116 -10.636 5.297 649 HG2 GLN 38 2HG GLN 38 -5.384 -12.689 5.444 650 HG3 GLN 38 1HG GLN 38 -4.823 -13.164 3.842 651 HE21 GLN 38 1HE2 GLN 38 -2.712 -13.852 3.568 652 HE22 GLN 38 2HE2 GLN 38 -1.699 -14.292 4.902 653 H LEU 39 H LEU 39 -6.376 -8.543 4.999 654 HA LEU 39 HA LEU 39 -6.126 -6.399 3.338 655 HB2 LEU 39 2HB LEU 39 -6.500 -6.780 6.108 656 HB3 LEU 39 1HB LEU 39 -5.252 -5.563 5.934 657 HG LEU 39 HG LEU 39 -7.328 -4.415 6.111 658 HD11 LEU 39 1HD1 LEU 39 -7.484 -3.240 3.979 659 HD12 LEU 39 2HD1 LEU 39 -6.532 -4.511 3.209 660 HD13 LEU 39 3HD1 LEU 39 -5.803 -3.497 4.454 661 HD21 LEU 39 3HD2 LEU 39 -9.220 -4.844 4.595 662 HD22 LEU 39 1HD2 LEU 39 -8.835 -6.246 5.599 663 HD23 LEU 39 2HD2 LEU 39 -8.337 -6.211 3.909 664 H THR 40 H THR 40 -3.592 -7.674 5.465 665 HA THR 40 HA THR 40 -1.641 -5.774 4.833 666 HB THR 40 HB THR 40 -1.091 -8.634 5.585 667 HG1 THR 40 1HG THR 40 -1.295 -7.897 7.759 668 HG21 THR 40 3HG2 THR 40 0.404 -6.072 6.152 669 HG22 THR 40 1HG2 THR 40 0.870 -7.300 4.974 670 HG23 THR 40 2HG2 THR 40 0.873 -7.683 6.696 671 H GLN 41 H GLN 41 -2.188 -9.025 3.499 672 HA GLN 41 HA GLN 41 -0.056 -9.069 1.713 673 HB2 GLN 41 2HB GLN 41 -1.610 -10.956 2.364 674 HB3 GLN 41 1HB GLN 41 -2.767 -10.302 1.216 675 HG2 GLN 41 2HG GLN 41 -0.176 -10.657 0.000 676 HG3 GLN 41 1HG GLN 41 -0.760 -12.155 0.715 677 HE21 GLN 41 1HE2 GLN 41 -2.735 -13.024 -0.026 678 HE22 GLN 41 2HE2 GLN 41 -3.329 -12.634 -1.599 679 H ALA 42 H ALA 42 -3.256 -7.674 1.415 680 HA ALA 42 HA ALA 42 -3.100 -7.015 -1.345 681 HB1 ALA 42 1HB ALA 42 -5.212 -7.168 -0.129 682 HB2 ALA 42 2HB ALA 42 -5.015 -5.599 -0.912 683 HB3 ALA 42 3HB ALA 42 -4.753 -5.757 0.826 684 H ILE 43 H ILE 43 -2.528 -5.127 1.635 685 HA ILE 43 HA ILE 43 -1.750 -2.733 0.420 686 HB ILE 43 HB ILE 43 -1.250 -3.983 3.063 687 HG12 ILE 43 2HG1 ILE 43 -1.965 -1.717 3.831 688 HG13 ILE 43 1HG1 ILE 43 -2.105 -1.231 2.148 689 HG21 ILE 43 1HG2 ILE 43 1.005 -3.336 2.419 690 HG22 ILE 43 2HG2 ILE 43 0.396 -2.331 3.741 691 HG23 ILE 43 3HG2 ILE 43 0.450 -1.687 2.096 692 HD11 ILE 43 3HD1 ILE 43 -4.272 -1.763 2.964 693 HD12 ILE 43 1HD1 ILE 43 -3.717 -3.319 3.581 694 HD13 ILE 43 2HD1 ILE 43 -3.788 -3.033 1.842 695 H GLU 44 H GLU 44 0.173 -5.575 1.266 696 HA GLU 44 HA GLU 44 2.660 -4.512 0.497 697 HB2 GLU 44 2HB GLU 44 1.723 -7.375 0.632 698 HB3 GLU 44 1HB GLU 44 3.400 -6.887 0.411 699 HG2 GLU 44 2HG GLU 44 3.274 -5.682 2.571 700 HG3 GLU 44 1HG GLU 44 1.655 -6.332 2.794 701 H GLU 45 H GLU 45 0.426 -6.617 -1.321 702 HA GLU 45 HA GLU 45 1.756 -6.550 -3.770 703 HB2 GLU 45 2HB GLU 45 -1.120 -6.855 -2.974 704 HB3 GLU 45 1HB GLU 45 -0.694 -6.727 -4.674 705 HG2 GLU 45 2HG GLU 45 0.581 -8.731 -2.860 706 HG3 GLU 45 1HG GLU 45 -0.942 -9.050 -3.693 707 H ALA 46 H ALA 46 -0.425 -4.260 -2.243 708 HA ALA 46 HA ALA 46 -0.842 -2.587 -4.466 709 HB1 ALA 46 1HB ALA 46 -0.834 -1.809 -1.547 710 HB2 ALA 46 2HB ALA 46 -2.202 -2.518 -2.405 711 HB3 ALA 46 3HB ALA 46 -1.598 -0.926 -2.873 712 H ILE 47 H ILE 47 1.347 -2.222 -1.705 713 HA ILE 47 HA ILE 47 2.669 0.014 -2.739 714 HB ILE 47 HB ILE 47 2.527 -0.486 -0.360 715 HG12 ILE 47 2HG1 ILE 47 5.411 -0.540 -1.214 716 HG13 ILE 47 1HG1 ILE 47 4.397 0.901 -1.293 717 HG21 ILE 47 1HG2 ILE 47 4.338 -2.798 -0.979 718 HG22 ILE 47 2HG2 ILE 47 2.675 -2.878 -0.386 719 HG23 ILE 47 3HG2 ILE 47 3.949 -2.217 0.641 720 HD11 ILE 47 3HD1 ILE 47 4.001 0.653 1.153 721 HD12 ILE 47 1HD1 ILE 47 5.669 1.010 0.701 722 HD13 ILE 47 2HD1 ILE 47 5.209 -0.634 1.158 723 H LYS 48 H LYS 48 3.178 -3.417 -3.098 724 HA LYS 48 HA LYS 48 5.804 -3.270 -4.154 725 HB2 LYS 48 2HB LYS 48 4.996 -5.372 -3.314 726 HB3 LYS 48 1HB LYS 48 3.623 -5.340 -4.396 727 HG2 LYS 48 2HG LYS 48 4.787 -6.579 -5.814 728 HG3 LYS 48 1HG LYS 48 5.850 -5.196 -6.069 729 HD2 LYS 48 2HD LYS 48 6.221 -7.275 -3.915 730 HD3 LYS 48 1HD LYS 48 7.051 -7.282 -5.471 731 HE2 LYS 48 2HE LYS 48 8.080 -5.137 -4.947 732 HE3 LYS 48 1HE LYS 48 7.214 -5.088 -3.413 733 HZ1 LYS 48 3HZ LYS 48 9.206 -7.147 -4.193 734 HZ2 LYS 48 1HZ LYS 48 8.397 -7.061 -2.704 735 HZ3 LYS 48 2HZ LYS 48 9.502 -5.849 -3.142 736 H GLU 49 H GLU 49 2.671 -3.860 -5.813 737 HA GLU 49 HA GLU 49 3.641 -3.450 -8.396 738 HB2 GLU 49 2HB GLU 49 0.921 -3.341 -7.191 739 HB3 GLU 49 1HB GLU 49 1.189 -2.992 -8.899 740 HG2 GLU 49 2HG GLU 49 1.534 -5.554 -7.425 741 HG3 GLU 49 1HG GLU 49 0.778 -5.217 -8.954 742 H TYR 50 H TYR 50 3.093 -1.238 -5.932 743 HA TYR 50 HA TYR 50 2.393 1.027 -7.469 744 HB2 TYR 50 2HB TYR 50 1.848 0.939 -5.127 745 HB3 TYR 50 1HB TYR 50 3.545 0.730 -4.702 746 HD1 TYR 50 1HD TYR 50 1.456 3.083 -6.646 747 HD2 TYR 50 2HD TYR 50 4.598 2.565 -3.864 748 HE1 TYR 50 1HE TYR 50 1.641 5.532 -6.445 749 HE2 TYR 50 2HE TYR 50 4.820 5.020 -3.634 750 HH TYR 50 HH TYR 50 2.484 7.182 -4.795 751 H LEU 51 H LEU 51 5.380 0.017 -5.852 752 HA LEU 51 HA LEU 51 7.011 2.056 -6.819 753 HB2 LEU 51 2HB LEU 51 7.481 -0.667 -5.755 754 HB3 LEU 51 1HB LEU 51 8.802 0.101 -6.598 755 HG LEU 51 HG LEU 51 9.352 1.006 -4.640 756 HD11 LEU 51 1HD1 LEU 51 8.124 2.986 -3.898 757 HD12 LEU 51 2HD1 LEU 51 6.795 2.555 -4.975 758 HD13 LEU 51 3HD1 LEU 51 8.373 2.970 -5.646 759 HD21 LEU 51 3HD2 LEU 51 6.608 0.207 -3.692 760 HD22 LEU 51 1HD2 LEU 51 7.834 0.938 -2.649 761 HD23 LEU 51 2HD2 LEU 51 8.134 -0.631 -3.401 762 H GLN 52 H GLN 52 6.099 -1.006 -8.262 763 HA GLN 52 HA GLN 52 7.932 -0.668 -10.455 764 HB2 GLN 52 2HB GLN 52 5.849 -2.688 -9.749 765 HB3 GLN 52 1HB GLN 52 6.420 -2.605 -11.410 766 HG2 GLN 52 2HG GLN 52 7.665 -4.271 -10.233 767 HG3 GLN 52 1HG GLN 52 8.727 -2.914 -10.595 768 HE21 GLN 52 1HE2 GLN 52 7.119 -4.724 -8.125 769 HE22 GLN 52 2HE2 GLN 52 7.938 -3.998 -6.783 770 H LYS 53 H LYS 53 4.617 0.125 -9.825 771 HA LYS 53 HA LYS 53 3.942 0.765 -12.542 772 HB2 LYS 53 2HB LYS 53 2.268 0.219 -10.762 773 HB3 LYS 53 1HB LYS 53 2.646 1.756 -10.003 774 HG2 LYS 53 2HG LYS 53 1.895 2.929 -12.019 775 HG3 LYS 53 1HG LYS 53 1.480 1.378 -12.751 776 HD2 LYS 53 2HD LYS 53 -0.129 0.966 -10.944 777 HD3 LYS 53 1HD LYS 53 0.285 2.527 -10.227 778 HE2 LYS 53 2HE LYS 53 -0.502 3.665 -12.239 779 HE3 LYS 53 1HE LYS 53 -0.888 2.112 -12.977 780 HZ1 LYS 53 3HZ LYS 53 -2.318 1.871 -10.800 781 HZ2 LYS 53 1HZ LYS 53 -2.916 2.692 -12.156 782 HZ3 LYS 53 2HZ LYS 53 -2.287 3.566 -10.850 783 H ARG 54 H ARG 54 5.775 2.235 -10.118 784 HA ARG 54 HA ARG 54 5.308 4.910 -11.212 785 HB2 ARG 54 2HB ARG 54 5.020 4.141 -8.681 786 HB3 ARG 54 1HB ARG 54 6.744 4.469 -8.644 787 HG2 ARG 54 2HG ARG 54 5.930 6.512 -8.013 788 HG3 ARG 54 1HG ARG 54 5.986 6.732 -9.766 789 HD2 ARG 54 2HD ARG 54 3.689 6.471 -10.004 790 HD3 ARG 54 1HD ARG 54 3.526 5.661 -8.458 791 HE ARG 54 HE ARG 54 4.404 8.389 -8.219 792 HH11 ARG 54 1HH1 ARG 54 1.568 6.375 -8.647 793 HH12 ARG 54 2HH1 ARG 54 0.510 7.467 -7.814 794 HH21 ARG 54 1HH2 ARG 54 2.993 9.837 -7.140 795 HH22 ARG 54 2HH2 ARG 54 1.312 9.416 -6.938 796 H ASN 55 H ASN 55 7.992 3.291 -9.507 797 HA ASN 55 HA ASN 55 9.873 3.370 -11.527 798 HB2 ASN 55 2HB ASN 55 11.297 5.324 -10.587 799 HB3 ASN 55 1HB ASN 55 9.987 5.684 -11.698 800 HD21 ASN 55 1HD2 ASN 55 9.859 7.794 -10.973 801 HD22 ASN 55 2HD2 ASN 55 9.168 8.200 -9.436 802 H GLY 56 H GLY 56 9.870 4.319 -8.072 803 HA2 GLY 56 2HA GLY 56 10.671 2.919 -6.326 804 HA3 GLY 56 1HA GLY 56 11.561 1.991 -7.522
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